smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1SCC[N@H+](Cc2ccc(Cl)cc2[O-])[C@@H]1C ZINC001474369533 937855567 /nfs/dbraw/zinc/85/55/67/937855567.db2.gz MNPIWEDAZZRZJP-NXEZZACHSA-N 0 1 271.813 3.371 20 10 CGCDMN C[C@H]1SCC[N@@H+](Cc2ccc(Cl)cc2[O-])[C@@H]1C ZINC001474369533 937855569 /nfs/dbraw/zinc/85/55/69/937855569.db2.gz MNPIWEDAZZRZJP-NXEZZACHSA-N 0 1 271.813 3.371 20 10 CGCDMN CO[C@H]1CC[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC001345153695 936804199 /nfs/dbraw/zinc/80/41/99/936804199.db2.gz DQNCKUFMIMWRLG-QWRGUYRKSA-N 0 1 269.772 3.011 20 10 CGCDMN C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)cc1[O-] ZINC001462213796 937625395 /nfs/dbraw/zinc/62/53/95/937625395.db2.gz CLMCCMCRTOSTSX-IUODEOHRSA-N 0 1 294.826 3.104 20 10 CGCDMN C[C@H]1CC2(C[N@@H+]1Cc1ccc(Cl)cc1[O-])CCOCC2 ZINC001462370313 937636017 /nfs/dbraw/zinc/63/60/17/937636017.db2.gz YGAPWUBDGIOTDM-LBPRGKRZSA-N 0 1 295.810 3.437 20 10 CGCDMN C[C@H]1CC2(C[N@H+]1Cc1ccc(Cl)cc1[O-])CCOCC2 ZINC001462370313 937636020 /nfs/dbraw/zinc/63/60/20/937636020.db2.gz YGAPWUBDGIOTDM-LBPRGKRZSA-N 0 1 295.810 3.437 20 10 CGCDMN CS[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[O-])C1 ZINC001462474085 937643605 /nfs/dbraw/zinc/64/36/05/937643605.db2.gz CUWBWWWOFXMMGP-XYPYZODXSA-N 0 1 257.786 3.029 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CC2(C)C)c(Cl)c1 ZINC001308260065 933083279 /nfs/dbraw/zinc/08/32/79/933083279.db2.gz GYRUTKKVQKFMMA-SNVBAGLBSA-N 0 1 253.773 3.490 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C=CCC2)c(Cl)c1 ZINC001308502974 933120906 /nfs/dbraw/zinc/12/09/06/933120906.db2.gz BYWBDXLBFMSNGZ-LLVKDONJSA-N 0 1 251.757 3.410 20 10 CGCDMN C[C@H]1CN(Cc2ccc(F)c(F)c2O)c2ccccc2O1 ZINC001308666559 933153886 /nfs/dbraw/zinc/15/38/86/933153886.db2.gz SCGNZTHRRRFRBF-JTQLQIEISA-N 0 1 291.297 3.458 20 10 CGCDMN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](C)c1ccn(C)n1 ZINC001326047008 934947264 /nfs/dbraw/zinc/94/72/64/934947264.db2.gz SEKMKTVVWBOSAT-DYEKYZERSA-N 0 1 285.391 3.333 20 10 CGCDMN COc1cccc(F)c1CNCc1ccc(C)cc1O ZINC001333877310 936073161 /nfs/dbraw/zinc/07/31/61/936073161.db2.gz XTFJHTFDQXMNRW-UHFFFAOYSA-N 0 1 275.323 3.138 20 10 CGCDMN CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])CC(C)C ZINC001474381732 937856174 /nfs/dbraw/zinc/85/61/74/937856174.db2.gz OHPVMIHFYKZNFJ-UHFFFAOYSA-N 0 1 251.370 3.187 20 10 CGCDMN CC[N@H+](Cc1c(C)cc(OC)cc1[O-])CC(C)C ZINC001474381732 937856175 /nfs/dbraw/zinc/85/61/75/937856175.db2.gz OHPVMIHFYKZNFJ-UHFFFAOYSA-N 0 1 251.370 3.187 20 10 CGCDMN CCC[C@]1(COC)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001474478486 937862497 /nfs/dbraw/zinc/86/24/97/937862497.db2.gz HBORUBMTEOBICV-MRXNPFEDSA-N 0 1 299.361 3.452 20 10 CGCDMN CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474498488 937863110 /nfs/dbraw/zinc/86/31/10/937863110.db2.gz UFOZIEXJYOEBOM-HNNXBMFYSA-N 0 1 296.842 3.256 20 10 CGCDMN CCOC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474574710 937868089 /nfs/dbraw/zinc/86/80/89/937868089.db2.gz LGBOXWSANKGWIT-LBPRGKRZSA-N 0 1 285.334 3.061 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CN2CCCCC2)c(Cl)c1 ZINC001560262277 938249833 /nfs/dbraw/zinc/24/98/33/938249833.db2.gz WSVNSWTZBOZHSQ-ZDUSSCGKSA-N 0 1 296.842 3.318 20 10 CGCDMN CN(C)c1ccc(/C=C/CNc2ccc3nn[nH]c3c2)cc1 ZINC001560380967 938256193 /nfs/dbraw/zinc/25/61/93/938256193.db2.gz RDPYBJRNWSQYGL-ONEGZZNKSA-N 0 1 293.374 3.149 20 10 CGCDMN CN(C)c1ccc(/C=C/CNc2ccc3n[nH]nc3c2)cc1 ZINC001560380967 938256195 /nfs/dbraw/zinc/25/61/95/938256195.db2.gz RDPYBJRNWSQYGL-ONEGZZNKSA-N 0 1 293.374 3.149 20 10 CGCDMN CCCN(CCC)c1ccc(CNCc2cnccn2)cc1 ZINC001560618710 938266114 /nfs/dbraw/zinc/26/61/14/938266114.db2.gz YQRHCROXUZDORI-UHFFFAOYSA-N 0 1 298.434 3.393 20 10 CGCDMN CC(C)c1ccc(O)c(CN[C@@H](CCO)c2ccco2)c1 ZINC001560779828 938275432 /nfs/dbraw/zinc/27/54/32/938275432.db2.gz YNBHRQIJYXBOAS-HNNXBMFYSA-N 0 1 289.375 3.322 20 10 CGCDMN CCC(C)(C)OC1CN(Cc2cccc(Cl)c2O)C1 ZINC001560934395 938285139 /nfs/dbraw/zinc/28/51/39/938285139.db2.gz PPHQWELMVMSCBW-UHFFFAOYSA-N 0 1 283.799 3.435 20 10 CGCDMN C[C@H]([NH2+]Cc1cccc(C(=O)[O-])c1)c1ccc(F)cc1O ZINC001589131115 963351122 /nfs/dbraw/zinc/35/11/22/963351122.db2.gz AYQWBXIWPYZIHF-JTQLQIEISA-N 0 1 289.306 3.080 20 10 CGCDMN C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cc(Cl)ccc1[O-] ZINC000281272535 299350027 /nfs/dbraw/zinc/35/00/27/299350027.db2.gz XCPPHYNPTQOBRF-GXFFZTMASA-N 0 1 283.799 3.247 20 10 CGCDMN CS[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134937456 371378770 /nfs/dbraw/zinc/37/87/70/371378770.db2.gz SULJUKLYSYLUPA-IUCAKERBSA-N 0 1 259.802 3.448 20 10 CGCDMN C[N@@H+](CCF)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000293641165 372432992 /nfs/dbraw/zinc/43/29/92/372432992.db2.gz MCZFZVXYUCZCPR-UHFFFAOYSA-N 0 1 252.116 3.100 20 10 CGCDMN Cc1cc(CN[C@H](C)c2ccccn2)ccc1N(C)C ZINC000271471317 378495452 /nfs/dbraw/zinc/49/54/52/378495452.db2.gz IWFJHKIUIKJTCX-CQSZACIVSA-N 0 1 269.392 3.307 20 10 CGCDMN C[C@@H]([NH2+]CCOCC1CC1)c1cc(Cl)ccc1[O-] ZINC000273586918 378753568 /nfs/dbraw/zinc/75/35/68/378753568.db2.gz OAGJYJKXJHCWJW-SNVBAGLBSA-N 0 1 269.772 3.123 20 10 CGCDMN CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1O ZINC000373521522 379293279 /nfs/dbraw/zinc/29/32/79/379293279.db2.gz KUGDZTVSLOWXGH-VMBOVVBDSA-N 0 1 288.435 3.450 20 10 CGCDMN CCCC[N@H+](CCCCCO)Cc1ccccc1[O-] ZINC000282392344 379910822 /nfs/dbraw/zinc/91/08/22/379910822.db2.gz GXQPDEJTZWYBHY-UHFFFAOYSA-N 0 1 265.397 3.157 20 10 CGCDMN CCCC[N@@H+](CCCCCO)Cc1ccccc1[O-] ZINC000282392344 379910828 /nfs/dbraw/zinc/91/08/28/379910828.db2.gz GXQPDEJTZWYBHY-UHFFFAOYSA-N 0 1 265.397 3.157 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285302105 380146118 /nfs/dbraw/zinc/14/61/18/380146118.db2.gz VYZHVDDAMHCHFE-KGLIPLIRSA-N 0 1 281.783 3.189 20 10 CGCDMN C[C@@H](N[C@@H](C)c1ccccc1O)c1c(F)cncc1F ZINC000285707424 380152334 /nfs/dbraw/zinc/15/23/34/380152334.db2.gz PHEQEMDYOOZZNH-VHSXEESVSA-N 0 1 278.302 3.477 20 10 CGCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1C ZINC000121211269 392410697 /nfs/dbraw/zinc/41/06/97/392410697.db2.gz JNUGQZMJLGZTGU-AWEZNQCLSA-N 0 1 285.391 3.112 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1C ZINC000121211269 392410705 /nfs/dbraw/zinc/41/07/05/392410705.db2.gz JNUGQZMJLGZTGU-AWEZNQCLSA-N 0 1 285.391 3.112 20 10 CGCDMN [O-]c1c(Cl)cccc1C[NH2+]CCCN1CCCCC1 ZINC000124672868 392435417 /nfs/dbraw/zinc/43/54/17/392435417.db2.gz XDGPMDZLVLLEIL-UHFFFAOYSA-N 0 1 282.815 3.011 20 10 CGCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000372176460 392591139 /nfs/dbraw/zinc/59/11/39/392591139.db2.gz SESAFGJLLRIVJM-HOTGVXAUSA-N 0 1 297.398 3.404 20 10 CGCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000372176460 392591143 /nfs/dbraw/zinc/59/11/43/392591143.db2.gz SESAFGJLLRIVJM-HOTGVXAUSA-N 0 1 297.398 3.404 20 10 CGCDMN CCOCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000156088842 261113775 /nfs/dbraw/zinc/11/37/75/261113775.db2.gz ZJTCUXXYFJWNMG-UHFFFAOYSA-N 0 1 278.179 3.167 20 10 CGCDMN COc1cccc(C[N@@H+](C)Cc2ccccc2C)c1O ZINC000160524176 261216688 /nfs/dbraw/zinc/21/66/88/261216688.db2.gz NYQZXMULQVYCOS-UHFFFAOYSA-N 0 1 271.360 3.341 20 10 CGCDMN COC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000186153376 262082054 /nfs/dbraw/zinc/08/20/54/262082054.db2.gz UZNHGQPEQKZDOV-RNCFNFMXSA-N 0 1 269.772 3.121 20 10 CGCDMN C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186512111 262096559 /nfs/dbraw/zinc/09/65/59/262096559.db2.gz OUOXLDQVJZESJJ-ISBNUJHVSA-N 0 1 269.772 3.023 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368735262 267200166 /nfs/dbraw/zinc/20/01/66/267200166.db2.gz ZBUMBGQGDQKPFM-CQSZACIVSA-N 0 1 295.810 3.437 20 10 CGCDMN Cc1cccc(CN2CCCC[C@@H]2c2cc[nH]n2)c1O ZINC000289562247 328255483 /nfs/dbraw/zinc/25/54/83/328255483.db2.gz RWCXUDIGCYQSSR-OAHLLOKOSA-N 0 1 271.364 3.151 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000180316566 329219684 /nfs/dbraw/zinc/21/96/84/329219684.db2.gz LSHQUSAVYIGHFI-BXUZGUMPSA-N 0 1 281.783 3.047 20 10 CGCDMN C[C@H]([NH2+]CC12CC(C1)CO2)c1ccc2ccccc2c1[O-] ZINC000527985023 330298511 /nfs/dbraw/zinc/29/85/11/330298511.db2.gz WZNRDFKEWPXHEU-ZVLZOBCMSA-N 0 1 283.371 3.375 20 10 CGCDMN C[C@H](N[C@@H](C)c1ccc2ccccc2c1O)c1nncn1C ZINC000273598060 334767827 /nfs/dbraw/zinc/76/78/27/334767827.db2.gz RCQSLIVYBHOYOI-RYUDHWBXSA-N 0 1 296.374 3.086 20 10 CGCDMN CCN(CC)c1ccc(CNCc2conc2C)cc1F ZINC000293537941 520907284 /nfs/dbraw/zinc/90/72/84/520907284.db2.gz JYYZSASQSLXAMY-UHFFFAOYSA-N 0 1 291.370 3.258 20 10 CGCDMN COCc1ccc(CN(C)Cc2ccc(N(C)C)cc2)o1 ZINC000269379050 522970908 /nfs/dbraw/zinc/97/09/08/522970908.db2.gz WYZVEATZBXNCPB-UHFFFAOYSA-N 0 1 288.391 3.124 20 10 CGCDMN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1[O-] ZINC000289842848 524868351 /nfs/dbraw/zinc/86/83/51/524868351.db2.gz URECFNRBELWDKR-NWDGAFQWSA-N 0 1 283.799 3.116 20 10 CGCDMN COc1cccc(CNC2(c3ccccc3F)CC2)c1O ZINC000076766659 526011884 /nfs/dbraw/zinc/01/18/84/526011884.db2.gz KWAOTWYKEFTDHE-UHFFFAOYSA-N 0 1 287.334 3.319 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000129995666 526362402 /nfs/dbraw/zinc/36/24/02/526362402.db2.gz XIWOMEQVUPQNPQ-LLVKDONJSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000129995666 526362408 /nfs/dbraw/zinc/36/24/08/526362408.db2.gz XIWOMEQVUPQNPQ-LLVKDONJSA-N 0 1 281.783 3.047 20 10 CGCDMN c1cc(CNCc2ccc(N3CCSCC3)cc2)co1 ZINC000727467400 571747410 /nfs/dbraw/zinc/74/74/10/571747410.db2.gz WFYQHJGNYAXNDM-UHFFFAOYSA-N 0 1 288.416 3.123 20 10 CGCDMN CCCC[C@@H](C(=O)OC)N(CCC)Cc1ccccc1O ZINC000743870584 572694542 /nfs/dbraw/zinc/69/45/42/572694542.db2.gz YEOHTVLXLVCOIX-HNNXBMFYSA-N 0 1 293.407 3.336 20 10 CGCDMN CCC[N@@H+](CC(=O)[O-])Cc1cc(-c2ccccc2)ccc1O ZINC000829473176 604476314 /nfs/dbraw/zinc/47/63/14/604476314.db2.gz NMSPWMKXQPLYNL-UHFFFAOYSA-N 0 1 299.370 3.356 20 10 CGCDMN COC[C@@H](NCc1cc(Cl)ccc1O)c1ccco1 ZINC000177574409 617934547 /nfs/dbraw/zinc/93/45/47/617934547.db2.gz BAIDPPUMYNXRSD-GFCCVEGCSA-N 0 1 281.739 3.116 20 10 CGCDMN CC(C)CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804859512 618067090 /nfs/dbraw/zinc/06/70/90/618067090.db2.gz GPZLBQYEYLWHMD-UHFFFAOYSA-N 0 1 291.178 3.154 20 10 CGCDMN C[C@H]1CC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000309046366 618617906 /nfs/dbraw/zinc/61/79/06/618617906.db2.gz NKRLLAVJLWJUDJ-GZMMTYOYSA-N 0 1 270.170 3.043 20 10 CGCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1cn2c(n1)CCCC2 ZINC000924574436 618856725 /nfs/dbraw/zinc/85/67/25/618856725.db2.gz NPUPYALPBQQDQE-CQSZACIVSA-N 0 1 298.434 3.136 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000163868960 618891698 /nfs/dbraw/zinc/89/16/98/618891698.db2.gz PTNVGHDMOJYAPW-GFCCVEGCSA-N 0 1 251.345 3.399 20 10 CGCDMN C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000309847250 618996818 /nfs/dbraw/zinc/99/68/18/618996818.db2.gz VBSIHJNXFOUNMB-GZMMTYOYSA-N 0 1 257.786 3.029 20 10 CGCDMN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776220679 619117577 /nfs/dbraw/zinc/11/75/77/619117577.db2.gz YRTLAMYAPHXNGH-HZMBPMFUSA-N 0 1 285.815 3.241 20 10 CGCDMN Oc1c(Cl)cccc1CN1CC(F)(F)C(F)(F)C1 ZINC000313322178 619168481 /nfs/dbraw/zinc/16/84/81/619168481.db2.gz QEFXNTORONAAGU-UHFFFAOYSA-N 0 1 283.652 3.132 20 10 CGCDMN CC[C@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)[C@@H](O)C(C)C ZINC000840969094 619293172 /nfs/dbraw/zinc/29/31/72/619293172.db2.gz YDFNQMYYAPZUCT-ZFWWWQNUSA-N 0 1 285.815 3.239 20 10 CGCDMN Cc1cc(Cl)cc(C[N@H+]2CCCCC[C@@H]2CCO)c1O ZINC000793610777 619733387 /nfs/dbraw/zinc/73/33/87/619733387.db2.gz YFLPYNYNBNNMJU-OAHLLOKOSA-N 0 1 297.826 3.481 20 10 CGCDMN CN(C)c1ccc(CNCc2cnc(Cl)s2)cc1F ZINC000895155807 619759380 /nfs/dbraw/zinc/75/93/80/619759380.db2.gz OMLVCYUNWKOJBM-UHFFFAOYSA-N 0 1 299.802 3.291 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CC[C@@H]1C(F)F ZINC000895432416 619825646 /nfs/dbraw/zinc/82/56/46/619825646.db2.gz ZNUUCNKIHVEMGV-SECBINFHSA-N 0 1 265.662 3.024 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000895841249 619892152 /nfs/dbraw/zinc/89/21/52/619892152.db2.gz ADPDYUMAKLBNLK-WBMJQRKESA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000895841249 619892155 /nfs/dbraw/zinc/89/21/55/619892155.db2.gz ADPDYUMAKLBNLK-WBMJQRKESA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000895841249 619892157 /nfs/dbraw/zinc/89/21/57/619892157.db2.gz ADPDYUMAKLBNLK-WBMJQRKESA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1Cl ZINC000895841569 619892253 /nfs/dbraw/zinc/89/22/53/619892253.db2.gz CSGYCARCMSSWRK-MLGOLLRUSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1Cl ZINC000895841569 619892256 /nfs/dbraw/zinc/89/22/56/619892256.db2.gz CSGYCARCMSSWRK-MLGOLLRUSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cnc(CN[C@H](C)c2ccc(C)cc2O)s1 ZINC000185569278 625385946 /nfs/dbraw/zinc/38/59/46/625385946.db2.gz OFONZMUANXWEEY-LLVKDONJSA-N 0 1 262.378 3.316 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])[C@@H](O)C(C)C ZINC000841756270 620402600 /nfs/dbraw/zinc/40/26/00/620402600.db2.gz SLFCTSCRXXNXOI-DGFSRKRXSA-N 0 1 285.815 3.492 20 10 CGCDMN C[C@@H](NCc1cn(C)cn1)c1ccc(N2CCCCC2)cc1 ZINC000903351916 621710178 /nfs/dbraw/zinc/71/01/78/621710178.db2.gz RFOPGHWZMMFHPR-OAHLLOKOSA-N 0 1 298.434 3.261 20 10 CGCDMN CCC[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163751342 622800084 /nfs/dbraw/zinc/80/00/84/622800084.db2.gz YURBTFBQDMKJDU-VIFPVBQESA-N 0 1 272.186 3.433 20 10 CGCDMN C[C@@H]1CSCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000172514379 623253350 /nfs/dbraw/zinc/25/33/50/623253350.db2.gz AMIRFSYWSGVLAM-GFCCVEGCSA-N 0 1 273.401 3.483 20 10 CGCDMN COC(C)(C)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000174555870 623404744 /nfs/dbraw/zinc/40/47/44/623404744.db2.gz HKCVRVYYHAGHQZ-JTQLQIEISA-N 0 1 271.788 3.339 20 10 CGCDMN c1csc(Sc2nc(-c3ccccc3)n[nH]2)n1 ZINC000914862443 623869829 /nfs/dbraw/zinc/86/98/29/623869829.db2.gz HBQZVDDOJYEIIN-UHFFFAOYSA-N 0 1 260.347 3.079 20 10 CGCDMN CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000179576433 624667489 /nfs/dbraw/zinc/66/74/89/624667489.db2.gz OGFZPMCWHGCYOB-OAHLLOKOSA-N 0 1 263.381 3.029 20 10 CGCDMN COC(=O)C1(N(C)Cc2cccc(C)c2O)CCCCC1 ZINC000180208666 624728695 /nfs/dbraw/zinc/72/86/95/624728695.db2.gz INPRBUQMPRITNI-UHFFFAOYSA-N 0 1 291.391 3.008 20 10 CGCDMN Oc1ccccc1CNCc1nc2ccccc2n1C1CC1 ZINC000184777525 625270907 /nfs/dbraw/zinc/27/09/07/625270907.db2.gz WNVCOMUVCFWIEB-UHFFFAOYSA-N 0 1 293.370 3.367 20 10 CGCDMN FC(F)C1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839137276 626322419 /nfs/dbraw/zinc/32/24/19/626322419.db2.gz CFHUQPVLGOFUTD-UHFFFAOYSA-N 0 1 280.362 3.374 20 10 CGCDMN COC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756644368 626722163 /nfs/dbraw/zinc/72/21/63/626722163.db2.gz AWXBWKVZIMKCND-VIFPVBQESA-N 0 1 257.761 3.121 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)c2c1c(F)ccc2[O-] ZINC000756644465 626724041 /nfs/dbraw/zinc/72/40/41/626724041.db2.gz ARQYGEGDEDQFPL-NMKXLXIOSA-N 0 1 293.382 3.220 20 10 CGCDMN C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC(O)C1 ZINC000761222498 627025934 /nfs/dbraw/zinc/02/59/34/627025934.db2.gz JPBJSPJJXROUCH-UHFFFAOYSA-N 0 1 283.371 3.014 20 10 CGCDMN CCc1noc(C)c1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000769868100 627584955 /nfs/dbraw/zinc/58/49/55/627584955.db2.gz NYHNPSIFMHGCCM-LBPRGKRZSA-N 0 1 287.407 3.462 20 10 CGCDMN CC(C)OCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841755197 635228150 /nfs/dbraw/zinc/22/81/50/635228150.db2.gz XQKWMVYMMLXJLC-JTQLQIEISA-N 0 1 257.761 3.121 20 10 CGCDMN CCC[C@H]1CN(Cc2ccc(N(C)CC)cc2)CCO1 ZINC000773804744 627916622 /nfs/dbraw/zinc/91/66/22/627916622.db2.gz DKIZMXTZTFQXFR-KRWDZBQOSA-N 0 1 276.424 3.144 20 10 CGCDMN CC[C@H]([NH2+]Cc1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000775493245 628100206 /nfs/dbraw/zinc/10/02/06/628100206.db2.gz WBIFJMQHAIKZDP-ZDUSSCGKSA-N 0 1 279.771 3.020 20 10 CGCDMN CC[C@@H]([NH2+]CC1(C)COC1)c1cc(Cl)ccc1[O-] ZINC000775503644 628101839 /nfs/dbraw/zinc/10/18/39/628101839.db2.gz LJLCRGJZGUNOGW-GFCCVEGCSA-N 0 1 269.772 3.123 20 10 CGCDMN CCC[C@H](O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503635 628102060 /nfs/dbraw/zinc/10/20/60/628102060.db2.gz LEXMFPHZFGIRSN-AAEUAGOBSA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@H]([NH2+]C[C@](C)(O)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775503677 628102102 /nfs/dbraw/zinc/10/21/02/628102102.db2.gz MDUTYFYBVYXSSD-ZFWWWQNUSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@H]([NH2+]CCc1ccn(C)n1)c1cc(Cl)ccc1[O-] ZINC000775556392 628106375 /nfs/dbraw/zinc/10/63/75/628106375.db2.gz YHDAUDZNVADPLG-AWEZNQCLSA-N 0 1 293.798 3.063 20 10 CGCDMN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Cl)cc(F)c1O ZINC000775641489 628118571 /nfs/dbraw/zinc/11/85/71/628118571.db2.gz AYWGHHDPFCVJFD-JOYOIKCWSA-N 0 1 287.762 3.184 20 10 CGCDMN CCC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC(C)(C)O ZINC000775677360 628124031 /nfs/dbraw/zinc/12/40/31/628124031.db2.gz MFAVZSXPODSYTC-UHFFFAOYSA-N 0 1 289.778 3.168 20 10 CGCDMN CC(C)(C)C[N@@H+](CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775682395 628125631 /nfs/dbraw/zinc/12/56/31/628125631.db2.gz XAFCOTNTKHIYMJ-UHFFFAOYSA-N 0 1 289.778 3.025 20 10 CGCDMN COc1cc(F)cc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000776251917 628184570 /nfs/dbraw/zinc/18/45/70/628184570.db2.gz CNBLOLCPINEWQE-UHFFFAOYSA-N 0 1 295.741 3.483 20 10 CGCDMN Cc1c(F)nccc1CNCc1ccc(N(C)C)c(F)c1 ZINC000862274974 629335586 /nfs/dbraw/zinc/33/55/86/629335586.db2.gz IGKMEPGYKOYCJS-UHFFFAOYSA-N 0 1 291.345 3.024 20 10 CGCDMN C[C@H]1N(Cc2c(O)ccc(Cl)c2F)CCOC1(C)C ZINC000792165425 629342860 /nfs/dbraw/zinc/34/28/60/629342860.db2.gz GBPHIXKZGFJWCQ-SECBINFHSA-N 0 1 287.762 3.184 20 10 CGCDMN COC(C)(C)C[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792168760 629343834 /nfs/dbraw/zinc/34/38/34/629343834.db2.gz FQNZVLARGMCSRM-UHFFFAOYSA-N 0 1 275.751 3.042 20 10 CGCDMN [O-]c1c(C[NH2+]CC[C@@H]2CCCOC2)ccc2ccccc21 ZINC000862434387 629371240 /nfs/dbraw/zinc/37/12/40/629371240.db2.gz YTVTUZHMGTXGNR-AWEZNQCLSA-N 0 1 285.387 3.452 20 10 CGCDMN COc1cccc2c1CN(Cc1cc(C)ccc1O)C2 ZINC000862529570 629392817 /nfs/dbraw/zinc/39/28/17/629392817.db2.gz NNTWEUDHJNYIGV-UHFFFAOYSA-N 0 1 269.344 3.225 20 10 CGCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CCC1 ZINC000119616136 629669246 /nfs/dbraw/zinc/66/92/46/629669246.db2.gz XNXCJAFZBQSWFI-SECBINFHSA-N 0 1 284.197 3.433 20 10 CGCDMN COCCc1ccccc1NCc1ccc(F)c(F)c1O ZINC000864032828 629732951 /nfs/dbraw/zinc/73/29/51/629732951.db2.gz ULWCMKXKHNINIU-UHFFFAOYSA-N 0 1 293.313 3.471 20 10 CGCDMN Cc1cc(CN[C@H](C)c2cc(Cl)cc(C)c2O)ncn1 ZINC000808707876 630667994 /nfs/dbraw/zinc/66/79/94/630667994.db2.gz BIPOEJCLTFZYMX-LLVKDONJSA-N 0 1 291.782 3.303 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c1[O-] ZINC000808715979 630669848 /nfs/dbraw/zinc/66/98/48/630669848.db2.gz PCADVBJNDVDTBH-GVXVVHGQSA-N 0 1 283.799 3.166 20 10 CGCDMN C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000809757153 630800746 /nfs/dbraw/zinc/80/07/46/630800746.db2.gz KCADRPPMVIKUOR-HNNXBMFYSA-N 0 1 283.799 3.173 20 10 CGCDMN C[C@@]1(CCCO)CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000809757153 630800747 /nfs/dbraw/zinc/80/07/47/630800747.db2.gz KCADRPPMVIKUOR-HNNXBMFYSA-N 0 1 283.799 3.173 20 10 CGCDMN CC[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@H](C)O1 ZINC000815046791 631706563 /nfs/dbraw/zinc/70/65/63/631706563.db2.gz FXOKVVYMPJDCHT-HOCLYGCPSA-N 0 1 276.424 3.060 20 10 CGCDMN CCc1nocc1CNCc1ccc(N(CC)CC)cc1 ZINC000815115125 631720243 /nfs/dbraw/zinc/72/02/43/631720243.db2.gz FIHRBIPQBLEORZ-UHFFFAOYSA-N 0 1 287.407 3.373 20 10 CGCDMN COc1ccc(F)c(CNCc2ccc(OC)c(C)c2)c1 ZINC000815123061 631723012 /nfs/dbraw/zinc/72/30/12/631723012.db2.gz VKASBIWGAAUTBT-UHFFFAOYSA-N 0 1 289.350 3.441 20 10 CGCDMN CCC[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816513082 631998002 /nfs/dbraw/zinc/99/80/02/631998002.db2.gz GCYSYANFJMNSOW-LLVKDONJSA-N 0 1 287.762 3.186 20 10 CGCDMN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816515425 632000225 /nfs/dbraw/zinc/00/02/25/632000225.db2.gz ZBNGPJNYMSYJMY-HNNXBMFYSA-N 0 1 299.370 3.073 20 10 CGCDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816515425 632000234 /nfs/dbraw/zinc/00/02/34/632000234.db2.gz ZBNGPJNYMSYJMY-HNNXBMFYSA-N 0 1 299.370 3.073 20 10 CGCDMN CC(C)OCCC[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816514247 632000253 /nfs/dbraw/zinc/00/02/53/632000253.db2.gz RCGDNPCFTSZKNM-UHFFFAOYSA-N 0 1 289.778 3.432 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H]1C ZINC000816519989 632001567 /nfs/dbraw/zinc/00/15/67/632001567.db2.gz CBKIAPARQRZDEF-BDAKNGLRSA-N 0 1 257.736 3.415 20 10 CGCDMN C[N@@H+](CCC1CC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816521608 632003918 /nfs/dbraw/zinc/00/39/18/632003918.db2.gz UWSPUUMCYNPWGL-UHFFFAOYSA-N 0 1 257.736 3.417 20 10 CGCDMN CCOCCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816536432 632006321 /nfs/dbraw/zinc/00/63/21/632006321.db2.gz XMOFKIZNRNGFHB-UHFFFAOYSA-N 0 1 273.376 3.452 20 10 CGCDMN C[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])N(C)C1CC1 ZINC000816548746 632009144 /nfs/dbraw/zinc/00/91/44/632009144.db2.gz QZIQPOBFLJGWQY-CYBMUJFWSA-N 0 1 284.403 3.118 20 10 CGCDMN CC[C@]1(C)COCCN1Cc1cc(Cl)c(F)cc1O ZINC000816571490 632016485 /nfs/dbraw/zinc/01/64/85/632016485.db2.gz GHLASWIBIWVXOX-CQSZACIVSA-N 0 1 287.762 3.186 20 10 CGCDMN CC[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])OC ZINC000816616225 632024139 /nfs/dbraw/zinc/02/41/39/632024139.db2.gz RNQFEONYYHZENC-AWEZNQCLSA-N 0 1 259.349 3.060 20 10 CGCDMN Cc1cc(Cl)cc(CN[C@@H]2C[C@@H](C)n3ccnc32)c1O ZINC000825017582 633318794 /nfs/dbraw/zinc/31/87/94/633318794.db2.gz VKQDDHOQCDKESR-ZWNOBZJWSA-N 0 1 291.782 3.346 20 10 CGCDMN CCc1nc(CN[C@H](CC)c2ccccc2O)co1 ZINC000825061458 633324315 /nfs/dbraw/zinc/32/43/15/633324315.db2.gz GJJQWIADLOUJHV-CYBMUJFWSA-N 0 1 260.337 3.184 20 10 CGCDMN Cc1ncsc1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825240825 633338873 /nfs/dbraw/zinc/33/88/73/633338873.db2.gz KSQDCXGRBXEHAN-UHFFFAOYSA-N 0 1 282.796 3.409 20 10 CGCDMN COCCC(C)(C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825326509 633346371 /nfs/dbraw/zinc/34/63/71/633346371.db2.gz QYABXOAJWRLJAU-UHFFFAOYSA-N 0 1 271.788 3.259 20 10 CGCDMN CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825505266 633359744 /nfs/dbraw/zinc/35/97/44/633359744.db2.gz VCYVVLCBXSTIPZ-OAHLLOKOSA-N 0 1 299.798 3.175 20 10 CGCDMN Cc1cc(O)c(CN[C@@H]2C[C@H](C)n3ccnc32)cc1Cl ZINC000826083841 633404572 /nfs/dbraw/zinc/40/45/72/633404572.db2.gz NIZPHPVPKWTWLL-GXFFZTMASA-N 0 1 291.782 3.346 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2ccon2)CC1 ZINC000827628960 633505170 /nfs/dbraw/zinc/50/51/70/633505170.db2.gz CMZPKAFOALVWEK-UHFFFAOYSA-N 0 1 292.766 3.413 20 10 CGCDMN CC(C)c1cc(CN[C@H]2CCc3cccc(O)c32)on1 ZINC000834585867 634190378 /nfs/dbraw/zinc/19/03/78/634190378.db2.gz VHPPKLYDDREZDB-ZDUSSCGKSA-N 0 1 272.348 3.281 20 10 CGCDMN C[C@H](N[C@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834830647 634250924 /nfs/dbraw/zinc/25/09/24/634250924.db2.gz FZZPUMRHCLPGFH-CABZTGNLSA-N 0 1 277.755 3.038 20 10 CGCDMN CC[C@H]([NH2+][C@@H](CC)[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000834888203 634268842 /nfs/dbraw/zinc/26/88/42/634268842.db2.gz NNSVFKFMUXISRF-ICCXJUOJSA-N 0 1 271.788 3.246 20 10 CGCDMN CN(C)c1ccc(/C=C\CN(C)Cc2cccn2C)cc1 ZINC000835026009 634324440 /nfs/dbraw/zinc/32/44/40/634324440.db2.gz NRFXPHVMAAOXEZ-ALCCZGGFSA-N 0 1 283.419 3.236 20 10 CGCDMN CN(C)c1ccc(/C=C/CN(C)Cc2ccc[nH]2)cc1 ZINC000835027641 634325967 /nfs/dbraw/zinc/32/59/67/634325967.db2.gz FRRXZBQBRLBHLK-AATRIKPKSA-N 0 1 269.392 3.226 20 10 CGCDMN Cc1csc(CNC/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835036672 634328340 /nfs/dbraw/zinc/32/83/40/634328340.db2.gz QCBLXTSNAOFTPD-PLNGDYQASA-N 0 1 287.432 3.321 20 10 CGCDMN CC(C)[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1(CO)CCCC1 ZINC000835064870 634342923 /nfs/dbraw/zinc/34/29/23/634342923.db2.gz CFLQUGXWBYGNQV-INIZCTEOSA-N 0 1 295.398 3.198 20 10 CGCDMN Cc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])nc1 ZINC000877469031 635048941 /nfs/dbraw/zinc/04/89/41/635048941.db2.gz PYCRGWFOYFVXDA-UHFFFAOYSA-N 0 1 278.302 3.006 20 10 CGCDMN Cc1ncc(CN[C@@H](C)c2ccc(C)c(C)c2O)o1 ZINC000840794023 635054121 /nfs/dbraw/zinc/05/41/21/635054121.db2.gz BTEMSQWRECPRNH-NSHDSACASA-N 0 1 260.337 3.156 20 10 CGCDMN Cc1cc(N(C)C)ccc1CNc1nccn1C1CC1 ZINC000840886322 635074609 /nfs/dbraw/zinc/07/46/09/635074609.db2.gz BYROIHJMPOIDNE-UHFFFAOYSA-N 0 1 270.380 3.205 20 10 CGCDMN CO[C@H]1CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840936044 635086195 /nfs/dbraw/zinc/08/61/95/635086195.db2.gz DMWSKPOEOXZGBE-LBPRGKRZSA-N 0 1 283.799 3.355 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840936044 635086198 /nfs/dbraw/zinc/08/61/98/635086198.db2.gz DMWSKPOEOXZGBE-LBPRGKRZSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000840940368 635086490 /nfs/dbraw/zinc/08/64/90/635086490.db2.gz ZISXSZVCQGPBNT-MRXNPFEDSA-N 0 1 284.407 3.121 20 10 CGCDMN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1O ZINC000840997011 635101071 /nfs/dbraw/zinc/10/10/71/635101071.db2.gz GUXYAVLNNNZNIA-NSHDSACASA-N 0 1 297.782 3.041 20 10 CGCDMN Cc1ccc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c(O)c1 ZINC000877651150 635133249 /nfs/dbraw/zinc/13/32/49/635133249.db2.gz WFJDYXOTVMRTOJ-TXEJJXNPSA-N 0 1 269.335 3.424 20 10 CGCDMN COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841743413 635220189 /nfs/dbraw/zinc/22/01/89/635220189.db2.gz FZVBSFNPPDQGBC-JTQLQIEISA-N 0 1 292.766 3.300 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000841746025 635221574 /nfs/dbraw/zinc/22/15/74/635221574.db2.gz UGIHWHDYCFCQRK-JQWIXIFHSA-N 0 1 269.772 3.265 20 10 CGCDMN CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747132 635224466 /nfs/dbraw/zinc/22/44/66/635224466.db2.gz ODUUMQKBLMWJMG-VXGBXAGGSA-N 0 1 284.831 3.427 20 10 CGCDMN COC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841749074 635225128 /nfs/dbraw/zinc/22/51/28/635225128.db2.gz BRBORXZMRTWOMU-VIFPVBQESA-N 0 1 257.761 3.121 20 10 CGCDMN CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753351 635227753 /nfs/dbraw/zinc/22/77/53/635227753.db2.gz HELISUCVXUKRRB-RYUDHWBXSA-N 0 1 284.831 3.425 20 10 CGCDMN C[C@H]([NH2+]CCNc1ccccn1)c1ccc(Cl)cc1[O-] ZINC000841754207 635228189 /nfs/dbraw/zinc/22/81/89/635228189.db2.gz IVELTOQKCRZUGD-NSHDSACASA-N 0 1 291.782 3.203 20 10 CGCDMN C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841758492 635230862 /nfs/dbraw/zinc/23/08/62/635230862.db2.gz MFQXPUCICQILNR-GMXVVIOVSA-N 0 1 294.826 3.321 20 10 CGCDMN C[C@H]([NH2+]CCOCC1CC1)c1ccc(Cl)cc1[O-] ZINC000841757857 635231018 /nfs/dbraw/zinc/23/10/18/635231018.db2.gz GDGVKOMIVQUEFK-JTQLQIEISA-N 0 1 269.772 3.123 20 10 CGCDMN CC(C)(O)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877836224 635236451 /nfs/dbraw/zinc/23/64/51/635236451.db2.gz QEXTUDDXUMJWPE-HNNXBMFYSA-N 0 1 285.387 3.138 20 10 CGCDMN CC(C)(O)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877836224 635236458 /nfs/dbraw/zinc/23/64/58/635236458.db2.gz QEXTUDDXUMJWPE-HNNXBMFYSA-N 0 1 285.387 3.138 20 10 CGCDMN CCOC(=O)CC(C)(C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846054811 636139656 /nfs/dbraw/zinc/13/96/56/636139656.db2.gz GSQCSXDXNFHQSN-UHFFFAOYSA-N 0 1 299.798 3.115 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)Cc2ccccn2)c(Cl)c1 ZINC000848566790 636609386 /nfs/dbraw/zinc/60/93/86/636609386.db2.gz IXDHQZGACHCYPQ-LBPRGKRZSA-N 0 1 290.794 3.470 20 10 CGCDMN COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000883319445 636669937 /nfs/dbraw/zinc/66/99/37/636669937.db2.gz CDZSTWXDOMIMCZ-FOGDFJRCSA-N 0 1 269.772 3.121 20 10 CGCDMN CCc1cccc(CN2CCCC[C@H]2c2ncc[nH]2)c1O ZINC000848885801 636673576 /nfs/dbraw/zinc/67/35/76/636673576.db2.gz SFFNSIBACWPHNF-HNNXBMFYSA-N 0 1 285.391 3.405 20 10 CGCDMN CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000883355563 636697407 /nfs/dbraw/zinc/69/74/07/636697407.db2.gz UHGZZWUZMPNAHX-ZFWWWQNUSA-N 0 1 284.403 3.290 20 10 CGCDMN COC1CC(CC[NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000850341223 637020563 /nfs/dbraw/zinc/02/05/63/637020563.db2.gz CISOPWBWNIPIBI-UHFFFAOYSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCOC2(C)C)c(Cl)c1 ZINC000850409318 637051845 /nfs/dbraw/zinc/05/18/45/637051845.db2.gz QPQKMRAMHOMVIS-LLVKDONJSA-N 0 1 283.799 3.259 20 10 CGCDMN CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000850513325 637098430 /nfs/dbraw/zinc/09/84/30/637098430.db2.gz GBDOVAREPDNBEU-DLOVCJGASA-N 0 1 269.772 3.264 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)N[C@H](C)c2nccn2C)c1O ZINC000850573202 637129937 /nfs/dbraw/zinc/12/99/37/637129937.db2.gz WLXHDGGHXJZQSC-WDEREUQCSA-N 0 1 293.798 3.499 20 10 CGCDMN CCN(C)c1ccc(CN2CCO[C@@](C)(C3CC3)C2)cc1 ZINC000852322430 637635160 /nfs/dbraw/zinc/63/51/60/637635160.db2.gz JEVNDBIYKGXALQ-GOSISDBHSA-N 0 1 288.435 3.144 20 10 CGCDMN COc1cccc([C@H](C)NCc2cc(C3CC3)no2)c1O ZINC000886684853 637651216 /nfs/dbraw/zinc/65/12/16/637651216.db2.gz UOKOAQVTUVXECL-JTQLQIEISA-N 0 1 288.347 3.117 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000858191812 638655796 /nfs/dbraw/zinc/65/57/96/638655796.db2.gz CBRZCKNJOKMQJK-YFKFIEJBSA-N 0 1 282.181 3.043 20 10 CGCDMN CCC(F)(F)CNC1CCN(c2ccc(OC)cc2)CC1 ZINC000858259307 638667569 /nfs/dbraw/zinc/66/75/69/638667569.db2.gz YBWPEOPTCFLAPU-UHFFFAOYSA-N 0 1 298.377 3.299 20 10 CGCDMN CC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)c1cc(Cl)ccc1[O-] ZINC000858583931 638997946 /nfs/dbraw/zinc/99/79/46/638997946.db2.gz JJXOHIGKQNXLSM-NQBHXWOUSA-N 0 1 269.772 3.264 20 10 CGCDMN CC[C@@H](NCc1ncccc1F)c1ccccc1O ZINC000156858792 639983844 /nfs/dbraw/zinc/98/38/44/639983844.db2.gz FYDWPGMHAWCZDJ-CYBMUJFWSA-N 0 1 260.312 3.167 20 10 CGCDMN CC[C@H](NCc1ncccc1F)c1ccccc1O ZINC000156858654 639984294 /nfs/dbraw/zinc/98/42/94/639984294.db2.gz FYDWPGMHAWCZDJ-ZDUSSCGKSA-N 0 1 260.312 3.167 20 10 CGCDMN C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000194156533 640516523 /nfs/dbraw/zinc/51/65/23/640516523.db2.gz JBJJKTZBDHUHRZ-AWEZNQCLSA-N 0 1 269.392 3.131 20 10 CGCDMN C[C@H]1c2cccn2CCN1Cc1ccc(N(C)C)cc1 ZINC000194156533 640516528 /nfs/dbraw/zinc/51/65/28/640516528.db2.gz JBJJKTZBDHUHRZ-AWEZNQCLSA-N 0 1 269.392 3.131 20 10 CGCDMN C[C@@H]1CO[C@@H](C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000092017213 640729061 /nfs/dbraw/zinc/72/90/61/640729061.db2.gz OOXKRSAQVAQPOT-CVEARBPZSA-N 0 1 288.435 3.286 20 10 CGCDMN CCOc1cccc(CN(C)Cc2ccoc2C)c1O ZINC000092438597 640737850 /nfs/dbraw/zinc/73/78/50/640737850.db2.gz XSLOFZAKTCLUDQ-UHFFFAOYSA-N 0 1 275.348 3.324 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccccc1O ZINC000113332551 640976536 /nfs/dbraw/zinc/97/65/36/640976536.db2.gz JWEMUJJYYSJBPW-UHFFFAOYSA-N 0 1 277.751 3.084 20 10 CGCDMN Cc1cc(C)nc(N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001155933570 805627270 /nfs/dbraw/zinc/62/72/70/805627270.db2.gz YMIPADCMXIDELC-UHFFFAOYSA-N 0 1 284.359 3.062 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)C2)c1[O-] ZINC000037322638 798865902 /nfs/dbraw/zinc/86/59/02/798865902.db2.gz OYSSWBCZQQORBG-SNVBAGLBSA-N 0 1 281.783 3.480 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)C2)c1[O-] ZINC000037322638 798865909 /nfs/dbraw/zinc/86/59/09/798865909.db2.gz OYSSWBCZQQORBG-SNVBAGLBSA-N 0 1 281.783 3.480 20 10 CGCDMN C[C@H]1C[C@H](C)[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000161296530 799080049 /nfs/dbraw/zinc/08/00/49/799080049.db2.gz RMSZWHDIHKMYFU-UWVGGRQHSA-N 0 1 284.197 3.385 20 10 CGCDMN CCOC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCCC1 ZINC000381829717 799388333 /nfs/dbraw/zinc/38/83/33/799388333.db2.gz IWRYSYMIACWVOJ-UHFFFAOYSA-N 0 1 283.799 3.485 20 10 CGCDMN C[C@@H]([NH2+]CCc1cnccn1)c1ccc2ccccc2c1[O-] ZINC000390209938 799469461 /nfs/dbraw/zinc/46/94/61/799469461.db2.gz NTTQXSGTDCWUMF-CYBMUJFWSA-N 0 1 293.370 3.229 20 10 CGCDMN CC(C)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000394506748 799497071 /nfs/dbraw/zinc/49/70/71/799497071.db2.gz WFJBYXKFPDXTAQ-HNNXBMFYSA-N 0 1 283.799 3.293 20 10 CGCDMN CC(C)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000394506748 799497076 /nfs/dbraw/zinc/49/70/76/799497076.db2.gz WFJBYXKFPDXTAQ-HNNXBMFYSA-N 0 1 283.799 3.293 20 10 CGCDMN C[C@@H]([NH2+]CCc1cncn1C)c1ccc2ccccc2c1[O-] ZINC000401778253 799557203 /nfs/dbraw/zinc/55/72/03/799557203.db2.gz OPYDIDQCICATSO-CYBMUJFWSA-N 0 1 295.386 3.172 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403503279 799566558 /nfs/dbraw/zinc/56/65/58/799566558.db2.gz ZEDXYTDXUZSILB-GARJFASQSA-N 0 1 251.757 3.324 20 10 CGCDMN C[C@H](NCc1ccns1)c1ccc(N(C)C)cc1 ZINC000404397933 799575675 /nfs/dbraw/zinc/57/56/75/799575675.db2.gz TYJJQZAVFAABPC-NSHDSACASA-N 0 1 261.394 3.060 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000694268493 799821013 /nfs/dbraw/zinc/82/10/13/799821013.db2.gz YDGAGQITFSXNAC-ZWKOPEQDSA-N 0 1 296.208 3.433 20 10 CGCDMN CCc1cccc(CN[C@@H](C)c2cscn2)c1O ZINC000697903424 799849937 /nfs/dbraw/zinc/84/99/37/799849937.db2.gz SIQJPFJNWBWPGL-JTQLQIEISA-N 0 1 262.378 3.262 20 10 CGCDMN CC(F)(F)CC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701194168 799885204 /nfs/dbraw/zinc/88/52/04/799885204.db2.gz RMGBCNVJYIZTCL-UHFFFAOYSA-N 0 1 294.139 3.290 20 10 CGCDMN CC(C)O[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000701724935 799893875 /nfs/dbraw/zinc/89/38/75/799893875.db2.gz YQKANSDGJDVFIZ-GFCCVEGCSA-N 0 1 269.772 3.045 20 10 CGCDMN C[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1Br ZINC000707171899 799975551 /nfs/dbraw/zinc/97/55/51/799975551.db2.gz OCEGQHSRQFFILR-SECBINFHSA-N 0 1 270.170 3.139 20 10 CGCDMN CC1(C)CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707136454 799973024 /nfs/dbraw/zinc/97/30/24/799973024.db2.gz RVJFSUZYXIOCMO-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN CC1(C)CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707136454 799973028 /nfs/dbraw/zinc/97/30/28/799973028.db2.gz RVJFSUZYXIOCMO-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN CC1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000707128899 799974210 /nfs/dbraw/zinc/97/42/10/799974210.db2.gz CDTQSPDLUYQKJL-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN C[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000707171899 799975547 /nfs/dbraw/zinc/97/55/47/799975547.db2.gz OCEGQHSRQFFILR-SECBINFHSA-N 0 1 270.170 3.139 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711839046 800075066 /nfs/dbraw/zinc/07/50/66/800075066.db2.gz DQQIRVDCKLWPJH-MLGOLLRUSA-N 0 1 295.810 3.340 20 10 CGCDMN CO[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C12CCC2 ZINC000713470970 800109452 /nfs/dbraw/zinc/10/94/52/800109452.db2.gz NRTMQHFLEFMOMF-KGLIPLIRSA-N 0 1 281.783 3.093 20 10 CGCDMN CN(C)c1ccc(CNCc2cnc(Cl)s2)cc1 ZINC000718184358 800214007 /nfs/dbraw/zinc/21/40/07/800214007.db2.gz BOAHINQYGNSTKG-UHFFFAOYSA-N 0 1 281.812 3.152 20 10 CGCDMN C[C@H]1C[N@H+](Cc2c([O-])cccc2F)CCC[C@@H]1C ZINC001137831759 803777995 /nfs/dbraw/zinc/77/79/95/803777995.db2.gz MKJSONBQXXXGDH-RYUDHWBXSA-N 0 1 251.345 3.399 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2F)C[C@H]1C ZINC001137831760 803778741 /nfs/dbraw/zinc/77/87/41/803778741.db2.gz MKJSONBQXXXGDH-VXGBXAGGSA-N 0 1 251.345 3.399 20 10 CGCDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccncn1 ZINC001138222124 803874505 /nfs/dbraw/zinc/87/45/05/803874505.db2.gz HIOGYXQMVLGMHW-UHFFFAOYSA-N 0 1 296.418 3.099 20 10 CGCDMN C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354966 803901471 /nfs/dbraw/zinc/90/14/71/803901471.db2.gz XACFSOABWCQFLF-DOMZBBRYSA-N 0 1 262.372 3.001 20 10 CGCDMN C[C@@H]1C[C@H](F)CN1Cc1ccc2c(c1)CCCN2C ZINC001138354966 803901477 /nfs/dbraw/zinc/90/14/77/803901477.db2.gz XACFSOABWCQFLF-DOMZBBRYSA-N 0 1 262.372 3.001 20 10 CGCDMN Cc1cc(CN2CC[C@](C)(F)[C@@H](F)C2)ccc1N(C)C ZINC001139669615 804245021 /nfs/dbraw/zinc/24/50/21/804245021.db2.gz DLUNKFJSEUKREA-HOTGVXAUSA-N 0 1 282.378 3.333 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])[C@@H](C)C1 ZINC001139682661 804252984 /nfs/dbraw/zinc/25/29/84/804252984.db2.gz AOXNQDAMRNKLSD-ZJUUUORDSA-N 0 1 255.308 3.291 20 10 CGCDMN C[N@@H+](Cc1ccccc1O)Cc1c([O-])c(F)ccc1F ZINC001139686030 804254121 /nfs/dbraw/zinc/25/41/21/804254121.db2.gz KMRPLTFGLLTACC-UHFFFAOYSA-N 0 1 279.286 3.008 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001139689217 804255125 /nfs/dbraw/zinc/25/51/25/804255125.db2.gz GCCXWLJUEHHOOT-UHFFFAOYSA-N 0 1 297.345 3.204 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001140339190 804420519 /nfs/dbraw/zinc/42/05/19/804420519.db2.gz UUYFZWWXVYNSJS-ABAIWWIYSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001140339190 804420525 /nfs/dbraw/zinc/42/05/25/804420525.db2.gz UUYFZWWXVYNSJS-ABAIWWIYSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001140463082 804441234 /nfs/dbraw/zinc/44/12/34/804441234.db2.gz RWHSMNPTVDSVSP-XHDPSFHLSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001140463082 804441237 /nfs/dbraw/zinc/44/12/37/804441237.db2.gz RWHSMNPTVDSVSP-XHDPSFHLSA-N 0 1 281.783 3.047 20 10 CGCDMN CC1(C)[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]21 ZINC001140465868 804443818 /nfs/dbraw/zinc/44/38/18/804443818.db2.gz SSFGFAUZJPDASS-TXEJJXNPSA-N 0 1 251.757 3.133 20 10 CGCDMN CC1(C)[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]21 ZINC001140465868 804443819 /nfs/dbraw/zinc/44/38/19/804443819.db2.gz SSFGFAUZJPDASS-TXEJJXNPSA-N 0 1 251.757 3.133 20 10 CGCDMN C[N@@H+](CCc1ccccc1)Cc1c([O-])cc(F)cc1F ZINC001140579809 804466003 /nfs/dbraw/zinc/46/60/03/804466003.db2.gz HTEYHCNQILWNHJ-UHFFFAOYSA-N 0 1 277.314 3.345 20 10 CGCDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2Cl)CCCO1 ZINC001140921538 804548803 /nfs/dbraw/zinc/54/88/03/804548803.db2.gz HJQFEGMVTOUIJC-GFCCVEGCSA-N 0 1 282.815 3.017 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CCC[C@H](C)CC2)c(OC)c1 ZINC001141031508 804575718 /nfs/dbraw/zinc/57/57/18/804575718.db2.gz HEJOPQHJEMVXGT-LBPRGKRZSA-N 0 1 279.380 3.031 20 10 CGCDMN CC[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527058 804734188 /nfs/dbraw/zinc/73/41/88/804734188.db2.gz IYIFYYWDAYBYNR-JTQLQIEISA-N 0 1 255.308 3.292 20 10 CGCDMN CC(C)(C)c1cccc(C[N@@H+](C2CC2)C2COC2)c1O ZINC001143111876 804803222 /nfs/dbraw/zinc/80/32/22/804803222.db2.gz HEWZKCSHUNMWBP-UHFFFAOYSA-N 0 1 275.392 3.053 20 10 CGCDMN CC(C)(C)c1cccc(CN(C2CC2)C2COC2)c1O ZINC001143111876 804803227 /nfs/dbraw/zinc/80/32/27/804803227.db2.gz HEWZKCSHUNMWBP-UHFFFAOYSA-N 0 1 275.392 3.053 20 10 CGCDMN Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CCN3)n2)cc1 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CGCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC001232266156 818297797 /nfs/dbraw/zinc/29/77/97/818297797.db2.gz QZSGYOZBJRILBT-JTQLQIEISA-N 0 1 269.772 3.286 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC001232266156 818297801 /nfs/dbraw/zinc/29/78/01/818297801.db2.gz QZSGYOZBJRILBT-JTQLQIEISA-N 0 1 269.772 3.286 20 10 CGCDMN Cc1ccccc1[C@@H]1CCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233011744 818500499 /nfs/dbraw/zinc/50/04/99/818500499.db2.gz BZJKQHKNHKHKOJ-HNNXBMFYSA-N 0 1 299.370 3.449 20 10 CGCDMN O=C1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]2CCCC[C@@H]12 ZINC001233074670 818516438 /nfs/dbraw/zinc/51/64/38/818516438.db2.gz RVUBBCXDOWPHAN-DGCLKSJQSA-N 0 1 295.329 3.004 20 10 CGCDMN O=C1CC[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]2CCCC[C@@H]12 ZINC001233074670 818516442 /nfs/dbraw/zinc/51/64/42/818516442.db2.gz RVUBBCXDOWPHAN-DGCLKSJQSA-N 0 1 295.329 3.004 20 10 CGCDMN CC(C)(C)c1ccc(O)c(CN2CCCCC23COC3)c1 ZINC001233286412 818568101 /nfs/dbraw/zinc/56/81/01/818568101.db2.gz 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/nfs/dbraw/zinc/59/62/87/819596287.db2.gz FCNNHMCNNKJXKE-JTQLQIEISA-N 0 1 290.190 3.310 20 10 CGCDMN COc1cc(C)c(C[N@H+]2CCC3(CCC3)C2)c(O)c1 ZINC001236811232 819604838 /nfs/dbraw/zinc/60/48/38/819604838.db2.gz NISUXWFCHRMSDW-UHFFFAOYSA-N 0 1 261.365 3.085 20 10 CGCDMN COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c([O-])c1Cl ZINC001236817775 819605820 /nfs/dbraw/zinc/60/58/20/819605820.db2.gz HISWFECBALBHDA-ZYHUDNBSSA-N 0 1 299.798 3.054 20 10 CGCDMN CC(=O)[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236831155 819611978 /nfs/dbraw/zinc/61/19/78/819611978.db2.gz FPKABNMZHXWUGY-INIZCTEOSA-N 0 1 283.371 3.346 20 10 CGCDMN C[C@H]1CC[C@@H](CO)[N@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078561 819662744 /nfs/dbraw/zinc/66/27/44/819662744.db2.gz UQVLNBYCZSPPAR-IUCAKERBSA-N 0 1 290.190 3.044 20 10 CGCDMN C[C@H]1C[C@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3[O-])CC[C@H]2O1 ZINC001237939542 819890539 /nfs/dbraw/zinc/89/05/39/819890539.db2.gz YFJOJDWBSXHQRJ-CCUNJIBTSA-N 0 1 299.773 3.184 20 10 CGCDMN CCCC[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC001308589936 933138464 /nfs/dbraw/zinc/13/84/64/933138464.db2.gz WTQNYBGSKPAUNT-UHFFFAOYSA-N 0 1 255.308 3.435 20 10 CGCDMN CC(C)OC(=O)CN(Cc1ccccc1O)C1CCCC1 ZINC001318529133 933740866 /nfs/dbraw/zinc/74/08/66/933740866.db2.gz MLGQOUJRVGAQJW-UHFFFAOYSA-N 0 1 291.391 3.088 20 10 CGCDMN CN1CCCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC001474736556 933845208 /nfs/dbraw/zinc/84/52/08/933845208.db2.gz DNENGCABRWFBGU-INIZCTEOSA-N 0 1 284.403 3.119 20 10 CGCDMN Cc1cc(CN(C)CCC(F)(F)F)ccc1N(C)C ZINC001330327770 935286322 /nfs/dbraw/zinc/28/63/22/935286322.db2.gz LLMOCFIYQVQZHB-UHFFFAOYSA-N 0 1 274.330 3.445 20 10 CGCDMN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1C[C@@H](C)n2ncnc21 ZINC001333321373 935525850 /nfs/dbraw/zinc/52/58/50/935525850.db2.gz JAMWSPUPUOORIV-FVCCEPFGSA-N 0 1 298.390 3.136 20 10 CGCDMN COc1ccc(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)c(O)c1OC ZINC001474371037 937855119 /nfs/dbraw/zinc/85/51/19/937855119.db2.gz LGQNEANFCHXZBB-STQMWFEESA-N 0 1 293.407 3.420 20 10 CGCDMN COC1(C[NH2+]Cc2ccc(Cl)cc2[O-])CCCC1 ZINC001474538797 937865687 /nfs/dbraw/zinc/86/56/87/937865687.db2.gz ZHDLAZNFPCIEOO-UHFFFAOYSA-N 0 1 269.772 3.094 20 10 CGCDMN CCCC[N@H+](CCCCC(=O)OC)Cc1ccccc1[O-] ZINC001559790618 938235928 /nfs/dbraw/zinc/23/59/28/938235928.db2.gz YIELZEZDOORHSU-UHFFFAOYSA-N 0 1 293.407 3.338 20 10 CGCDMN CCCC[N@@H+](CCCCC(=O)OC)Cc1ccccc1[O-] ZINC001559790618 938235929 /nfs/dbraw/zinc/23/59/29/938235929.db2.gz YIELZEZDOORHSU-UHFFFAOYSA-N 0 1 293.407 3.338 20 10 CGCDMN Cc1cc(O)c(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c(Cl)c1 ZINC001594325229 958161842 /nfs/dbraw/zinc/16/18/42/958161842.db2.gz JGCFXOAKZFARDL-UHFFFAOYSA-N 0 1 299.798 3.287 20 10 CGCDMN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1O ZINC001603248596 972413847 /nfs/dbraw/zinc/41/38/47/972413847.db2.gz JDQDVMNUXDYXOP-JTQLQIEISA-N 0 1 289.306 3.080 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC001589281110 963980710 /nfs/dbraw/zinc/98/07/10/963980710.db2.gz QWSMFRXPQOWGGQ-DOMZBBRYSA-N 0 1 291.391 3.058 20 10 CGCDMN Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000290627185 346425441 /nfs/dbraw/zinc/42/54/41/346425441.db2.gz XRMNKWXZVPJQMR-CQSZACIVSA-N 0 1 289.354 3.208 20 10 CGCDMN C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000191188420 296122888 /nfs/dbraw/zinc/12/28/88/296122888.db2.gz YUKVGVUZOMGJSB-GFCCVEGCSA-N 0 1 298.377 3.197 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc2ccccc2c1[O-] ZINC000019963535 368790137 /nfs/dbraw/zinc/79/01/37/368790137.db2.gz IATSAEKYGZDSDR-GXTWGEPZSA-N 0 1 271.360 3.375 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000051991392 369459799 /nfs/dbraw/zinc/45/97/99/369459799.db2.gz DXUPSTFYOZFZQZ-VUCTXSBTSA-N 0 1 285.387 3.500 20 10 CGCDMN CCc1nc(C)c(CN[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000291962642 372179068 /nfs/dbraw/zinc/17/90/68/372179068.db2.gz SDAOQVAUTWOTBM-LBPRGKRZSA-N 0 1 287.407 3.462 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])CC1CCOCC1 ZINC000171827244 372837984 /nfs/dbraw/zinc/83/79/84/372837984.db2.gz HAGUGOBPVFNTRN-UHFFFAOYSA-N 0 1 263.381 3.031 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])CC1CCOCC1 ZINC000171827244 372837987 /nfs/dbraw/zinc/83/79/87/372837987.db2.gz HAGUGOBPVFNTRN-UHFFFAOYSA-N 0 1 263.381 3.031 20 10 CGCDMN C[C@H](CCCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000296603841 373192850 /nfs/dbraw/zinc/19/28/50/373192850.db2.gz VUAYKGJIKXWIQW-MNOVXSKESA-N 0 1 271.788 3.105 20 10 CGCDMN CC(C)N(Cc1ccno1)Cc1ccc(N(C)C)cc1 ZINC000298770004 373405669 /nfs/dbraw/zinc/40/56/69/373405669.db2.gz CCFULZFWAMRJHG-UHFFFAOYSA-N 0 1 273.380 3.151 20 10 CGCDMN COc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c1 ZINC000180178921 373973919 /nfs/dbraw/zinc/97/39/19/373973919.db2.gz UFSIUFPOUHVTOH-LBPRGKRZSA-N 0 1 287.359 3.299 20 10 CGCDMN COC[C@@H](N[C@@H](C)c1ccccc1O)c1ccc(C)o1 ZINC000183541162 374427061 /nfs/dbraw/zinc/42/70/61/374427061.db2.gz GHVWDBGPPDMZDM-GXTWGEPZSA-N 0 1 275.348 3.332 20 10 CGCDMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000193457027 375879488 /nfs/dbraw/zinc/87/94/88/375879488.db2.gz UATFGYMOLYXCJV-KRWDZBQOSA-N 0 1 298.434 3.430 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248907890 377427123 /nfs/dbraw/zinc/42/71/23/377427123.db2.gz XFEYAXQVSREDKR-IINYFYTJSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000271186475 378477281 /nfs/dbraw/zinc/47/72/81/378477281.db2.gz JVZNNBQCEHWKIZ-UHFFFAOYSA-N 0 1 291.782 3.148 20 10 CGCDMN Cc1cc(Cl)cc(C[NH2+]CC(C)(C)CCCO)c1[O-] ZINC000271780367 378505119 /nfs/dbraw/zinc/50/51/19/378505119.db2.gz DRMGZHPPGODNSU-UHFFFAOYSA-N 0 1 285.815 3.242 20 10 CGCDMN C[C@@H]1C[C@H](CC[NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000273051503 378736173 /nfs/dbraw/zinc/73/61/73/378736173.db2.gz KKDDEGLPBKDFCK-VXGBXAGGSA-N 0 1 283.799 3.340 20 10 CGCDMN Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273387098 378743418 /nfs/dbraw/zinc/74/34/18/378743418.db2.gz JURHVOBKYJUEIU-CQSZACIVSA-N 0 1 287.407 3.255 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000285331888 380148764 /nfs/dbraw/zinc/14/87/64/380148764.db2.gz XNKOQCLWPNQCFX-DZGCQCFKSA-N 0 1 281.783 3.189 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000285331888 380148770 /nfs/dbraw/zinc/14/87/70/380148770.db2.gz XNKOQCLWPNQCFX-DZGCQCFKSA-N 0 1 281.783 3.189 20 10 CGCDMN Cc1ccnc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000286023406 380159036 /nfs/dbraw/zinc/15/90/36/380159036.db2.gz JWQWMAQPXBFAGQ-CYBMUJFWSA-N 0 1 287.382 3.446 20 10 CGCDMN Cc1noc([C@@H]2CCCN2Cc2cccc(Cl)c2O)n1 ZINC000289866642 392434428 /nfs/dbraw/zinc/43/44/28/392434428.db2.gz RAMIXDGUWXYVTC-LBPRGKRZSA-N 0 1 293.754 3.074 20 10 CGCDMN C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(N(C)C)cc1 ZINC000271511773 393252282 /nfs/dbraw/zinc/25/22/82/393252282.db2.gz NWNDCUZTYIPFEA-BLLLJJGKSA-N 0 1 284.407 3.204 20 10 CGCDMN C[C@H]1CCSCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000191814230 300027707 /nfs/dbraw/zinc/02/77/07/300027707.db2.gz ICBQSCVCKCRISL-JTQLQIEISA-N 0 1 271.813 3.373 20 10 CGCDMN COC[C@H](N[C@@H](C)c1cc(F)ccc1O)c1ccc(C)o1 ZINC000185631138 327841549 /nfs/dbraw/zinc/84/15/49/327841549.db2.gz QLLCSAQJHHLRHF-FZMZJTMJSA-N 0 1 293.338 3.471 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2CC=CC2)c(Cl)c1 ZINC000527747046 330280581 /nfs/dbraw/zinc/28/05/81/330280581.db2.gz XWCWARVBPNYMCT-UHFFFAOYSA-N 0 1 251.757 3.410 20 10 CGCDMN CCOc1cccc(CN[C@H](C)c2ncc(C)s2)c1O ZINC000134911179 334108175 /nfs/dbraw/zinc/10/81/75/334108175.db2.gz YDTWKNFAPLQVBL-LLVKDONJSA-N 0 1 292.404 3.407 20 10 CGCDMN CCC[N@H+](CCC1CCOCC1)Cc1ccccc1[O-] ZINC000292540803 521651089 /nfs/dbraw/zinc/65/10/89/521651089.db2.gz GMUCBCRUDUBPEA-UHFFFAOYSA-N 0 1 277.408 3.421 20 10 CGCDMN CCC[N@@H+](CCC1CCOCC1)Cc1ccccc1[O-] ZINC000292540803 521651093 /nfs/dbraw/zinc/65/10/93/521651093.db2.gz GMUCBCRUDUBPEA-UHFFFAOYSA-N 0 1 277.408 3.421 20 10 CGCDMN CCCN(Cc1ccccc1O)[C@@H](C)c1nnc(C)o1 ZINC000076074287 521690952 /nfs/dbraw/zinc/69/09/52/521690952.db2.gz JWEDEGMSCQYJSV-NSHDSACASA-N 0 1 275.352 3.057 20 10 CGCDMN CC[C@](C)(O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000087011711 523511575 /nfs/dbraw/zinc/51/15/75/523511575.db2.gz UUCXKWRBNABXQY-PXAZEXFGSA-N 0 1 273.376 3.357 20 10 CGCDMN COc1cccc(O)c1CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000725847285 572439699 /nfs/dbraw/zinc/43/96/99/572439699.db2.gz YMKYLSHFYOWSOU-DGCLKSJQSA-N 0 1 287.359 3.407 20 10 CGCDMN Cc1occc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000733325693 572556494 /nfs/dbraw/zinc/55/64/94/572556494.db2.gz UKHIXEGIWZAWCL-UHFFFAOYSA-N 0 1 251.713 3.237 20 10 CGCDMN CC1(C[N@H+](Cc2ccccc2[O-])C2CCCC2)COC1 ZINC000743848692 572688455 /nfs/dbraw/zinc/68/84/55/572688455.db2.gz XVJVNQHIYQNANS-UHFFFAOYSA-N 0 1 275.392 3.173 20 10 CGCDMN CC1(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)COC1 ZINC000743848692 572688458 /nfs/dbraw/zinc/68/84/58/572688458.db2.gz XVJVNQHIYQNANS-UHFFFAOYSA-N 0 1 275.392 3.173 20 10 CGCDMN Cc1cc(Br)cc(C[N@@H+]2CC=CCC2)c1O ZINC000779160094 628391540 /nfs/dbraw/zinc/39/15/40/628391540.db2.gz UIGFKESNEPVLFR-UHFFFAOYSA-N 0 1 282.181 3.225 20 10 CGCDMN Cc1cc(Br)cc(CN2CC=CCC2)c1O ZINC000779160094 628391542 /nfs/dbraw/zinc/39/15/42/628391542.db2.gz UIGFKESNEPVLFR-UHFFFAOYSA-N 0 1 282.181 3.225 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H](C)S1 ZINC000120516581 617717507 /nfs/dbraw/zinc/71/75/07/617717507.db2.gz JDCUCFGUHVKCPY-AOOOYVTPSA-N 0 1 271.813 3.371 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@H](C)S1 ZINC000120516581 617717509 /nfs/dbraw/zinc/71/75/09/617717509.db2.gz JDCUCFGUHVKCPY-AOOOYVTPSA-N 0 1 271.813 3.371 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)C[C@H](C)S1 ZINC000120516581 617717515 /nfs/dbraw/zinc/71/75/15/617717515.db2.gz JDCUCFGUHVKCPY-AOOOYVTPSA-N 0 1 271.813 3.371 20 10 CGCDMN CN(Cc1cn(C)nc1C1CCCC1)Cc1ccccc1O ZINC000891713424 618254565 /nfs/dbraw/zinc/25/45/65/618254565.db2.gz DCTOALYHVXXDML-UHFFFAOYSA-N 0 1 299.418 3.415 20 10 CGCDMN CC[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000091929874 618369761 /nfs/dbraw/zinc/36/97/61/618369761.db2.gz SQYKBBIKXFCRLH-JTQLQIEISA-N 0 1 284.197 3.387 20 10 CGCDMN COc1ccc(C[N@@H+](C(C)C)C2CCC2)c(O)c1OC ZINC000892099996 618530119 /nfs/dbraw/zinc/53/01/19/618530119.db2.gz ABZPEHAATHTIRK-UHFFFAOYSA-N 0 1 279.380 3.172 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCSC2)c(Cl)c1 ZINC000840902339 619072048 /nfs/dbraw/zinc/07/20/48/619072048.db2.gz OBQKNPNLKPOSCR-SNVBAGLBSA-N 0 1 271.813 3.339 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775494099 619074956 /nfs/dbraw/zinc/07/49/56/619074956.db2.gz YCDKTSPKUKTTKW-ONGXEEELSA-N 0 1 297.704 3.010 20 10 CGCDMN CC[C@H](NCc1nccn1CC(C)C)c1ccccc1O ZINC000185212525 625319387 /nfs/dbraw/zinc/31/93/87/625319387.db2.gz YFCFURPOAPIACQ-HNNXBMFYSA-N 0 1 287.407 3.486 20 10 CGCDMN C[C@H]1SCC[N@H+](Cc2cc(Cl)ccc2[O-])[C@@H]1C ZINC000093500529 619202187 /nfs/dbraw/zinc/20/21/87/619202187.db2.gz GFMYWZMJYBOLPD-NXEZZACHSA-N 0 1 271.813 3.371 20 10 CGCDMN C[C@H]1SCC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@@H]1C ZINC000093500529 619202191 /nfs/dbraw/zinc/20/21/91/619202191.db2.gz GFMYWZMJYBOLPD-NXEZZACHSA-N 0 1 271.813 3.371 20 10 CGCDMN COc1cnccc1[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000840938435 619227925 /nfs/dbraw/zinc/22/79/25/619227925.db2.gz DPXBCAPTAIUNBM-AWEZNQCLSA-N 0 1 299.418 3.315 20 10 CGCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894600704 619584109 /nfs/dbraw/zinc/58/41/09/619584109.db2.gz KTRUIVLYUFTVMT-XCBNKYQSSA-N 0 1 295.251 3.443 20 10 CGCDMN CC[N@@H+](Cc1ccncc1)Cc1cc(F)cc(F)c1[O-] ZINC000894762682 619628496 /nfs/dbraw/zinc/62/84/96/619628496.db2.gz XLXGLTLZHKLWRC-UHFFFAOYSA-N 0 1 278.302 3.088 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1Cl ZINC000895841567 619891795 /nfs/dbraw/zinc/89/17/95/619891795.db2.gz CSGYCARCMSSWRK-BLLLJJGKSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1Cl ZINC000895841567 619891797 /nfs/dbraw/zinc/89/17/97/619891797.db2.gz CSGYCARCMSSWRK-BLLLJJGKSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cccc(O)c1CN1CCS[C@@H](C(F)(F)F)C1 ZINC000896453949 620009150 /nfs/dbraw/zinc/00/91/50/620009150.db2.gz QXZYDYDQHARTNY-GFCCVEGCSA-N 0 1 291.338 3.180 20 10 CGCDMN C[C@@H](Cc1cccnc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000897969017 620459215 /nfs/dbraw/zinc/45/92/15/620459215.db2.gz BYTVWTZFSGWOBX-NSHDSACASA-N 0 1 276.767 3.161 20 10 CGCDMN [O-]c1ccccc1C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898516176 620594860 /nfs/dbraw/zinc/59/48/60/620594860.db2.gz NNWOETNWCKNQIR-ZBFHGGJFSA-N 0 1 275.392 3.031 20 10 CGCDMN [O-]c1ccccc1C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898516176 620594864 /nfs/dbraw/zinc/59/48/64/620594864.db2.gz NNWOETNWCKNQIR-ZBFHGGJFSA-N 0 1 275.392 3.031 20 10 CGCDMN Cc1ccc(O)c([C@H](C)N[C@@H](c2ncccn2)C2CC2)c1 ZINC000903327827 621701455 /nfs/dbraw/zinc/70/14/55/621701455.db2.gz ZPJFEKJSUZEUGR-BLLLJJGKSA-N 0 1 283.375 3.293 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCSC(F)(F)F ZINC000171128259 623135071 /nfs/dbraw/zinc/13/50/71/623135071.db2.gz XHKANZWBTWVITJ-UHFFFAOYSA-N 0 1 285.718 3.388 20 10 CGCDMN COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1O ZINC000171134446 623136913 /nfs/dbraw/zinc/13/69/13/623136913.db2.gz WMDOUYNEGSJTMG-UHFFFAOYSA-N 0 1 293.750 3.050 20 10 CGCDMN C[N@H+](CC1=CCSC1)Cc1c([O-])cccc1Cl ZINC000827805350 623470727 /nfs/dbraw/zinc/47/07/27/623470727.db2.gz IZBKROJFXIFJCR-UHFFFAOYSA-N 0 1 269.797 3.151 20 10 CGCDMN C[N@@H+](CC1=CCSC1)Cc1c([O-])cccc1Cl ZINC000827805350 623470737 /nfs/dbraw/zinc/47/07/37/623470737.db2.gz IZBKROJFXIFJCR-UHFFFAOYSA-N 0 1 269.797 3.151 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NC/C(Cl)=C/Cl)c1 ZINC000182334816 624986992 /nfs/dbraw/zinc/98/69/92/624986992.db2.gz WUJTZGDGKFMMKF-WSQKDGNHSA-N 0 1 276.163 3.370 20 10 CGCDMN C[C@@H]([NH2+]Cc1ccnn1C)c1ccc2ccccc2c1[O-] ZINC000071333088 625078057 /nfs/dbraw/zinc/07/80/57/625078057.db2.gz XAHNREMOLXMGSI-GFCCVEGCSA-N 0 1 281.359 3.130 20 10 CGCDMN COC[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921741348 625859265 /nfs/dbraw/zinc/85/92/65/625859265.db2.gz SDMCKHJLSJCRFY-GOSISDBHSA-N 0 1 297.398 3.489 20 10 CGCDMN Oc1cncc(CNCc2ccc(N3CCCCC3)cc2)c1 ZINC000922976982 626113912 /nfs/dbraw/zinc/11/39/12/626113912.db2.gz KZBVOUQGDVLYSK-UHFFFAOYSA-N 0 1 297.402 3.067 20 10 CGCDMN CCOc1ccc(O)c(CN2CC(CC(F)(F)F)C2)c1 ZINC000839138632 626322469 /nfs/dbraw/zinc/32/24/69/626322469.db2.gz RSZJBZKDKYXSKF-UHFFFAOYSA-N 0 1 289.297 3.175 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000754882372 626592395 /nfs/dbraw/zinc/59/23/95/626592395.db2.gz LLQCTAJSQXJOGL-GFCCVEGCSA-N 0 1 288.416 3.268 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000754882372 626592396 /nfs/dbraw/zinc/59/23/96/626592396.db2.gz LLQCTAJSQXJOGL-GFCCVEGCSA-N 0 1 288.416 3.268 20 10 CGCDMN C[C@@H]([NH2+]CCOCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000756469843 626707746 /nfs/dbraw/zinc/70/77/46/626707746.db2.gz LKTOUNBVPIZHRL-MRVPVSSYSA-N 0 1 297.704 3.275 20 10 CGCDMN CC[C@H](NCc1ccc2c(c1)CCCN2C)c1ccn(C)n1 ZINC000756496945 626709807 /nfs/dbraw/zinc/70/98/07/626709807.db2.gz KIZWTYIFCMJMOB-INIZCTEOSA-N 0 1 298.434 3.043 20 10 CGCDMN CC(C)n1ccc(CN[C@H](C)c2cc(F)ccc2O)n1 ZINC000756595436 626719163 /nfs/dbraw/zinc/71/91/63/626719163.db2.gz VAACNJXQIBAGDC-LLVKDONJSA-N 0 1 277.343 3.160 20 10 CGCDMN CCc1cc(CN[C@H](C)c2ccc(C)c(C)c2O)on1 ZINC000756605469 626719703 /nfs/dbraw/zinc/71/97/03/626719703.db2.gz IOERWNXKEUYIRO-GFCCVEGCSA-N 0 1 274.364 3.410 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000761226472 627027409 /nfs/dbraw/zinc/02/74/09/627027409.db2.gz QHPGRANRHSPAIU-UHFFFAOYSA-N 0 1 299.773 3.187 20 10 CGCDMN CC1(C)CCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769245419 627533144 /nfs/dbraw/zinc/53/31/44/627533144.db2.gz RJJALGXNSDLLCW-UHFFFAOYSA-N 0 1 284.743 3.328 20 10 CGCDMN COc1cccc(O)c1C[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000769451194 627554532 /nfs/dbraw/zinc/55/45/32/627554532.db2.gz JDIZWOLCRYQCHR-QWHCGFSZSA-N 0 1 263.381 3.411 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000769451194 627554533 /nfs/dbraw/zinc/55/45/33/627554533.db2.gz JDIZWOLCRYQCHR-QWHCGFSZSA-N 0 1 263.381 3.411 20 10 CGCDMN COc1cccc([O-])c1C[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000769451194 627554534 /nfs/dbraw/zinc/55/45/34/627554534.db2.gz JDIZWOLCRYQCHR-QWHCGFSZSA-N 0 1 263.381 3.411 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000770284407 627611891 /nfs/dbraw/zinc/61/18/91/627611891.db2.gz QGKWZCCXZZASQZ-BDAKNGLRSA-N 0 1 284.743 3.184 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000770371939 627615796 /nfs/dbraw/zinc/61/57/96/627615796.db2.gz CVUZBJLOOAXMHU-QWHCGFSZSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000770371939 627615797 /nfs/dbraw/zinc/61/57/97/627615797.db2.gz CVUZBJLOOAXMHU-QWHCGFSZSA-N 0 1 295.810 3.294 20 10 CGCDMN COCC[N@@H+](Cc1cccs1)Cc1ccccc1O ZINC000770509102 627623304 /nfs/dbraw/zinc/62/33/04/627623304.db2.gz IECJEZGEAQGISJ-UHFFFAOYSA-N 0 1 277.389 3.102 20 10 CGCDMN Cc1cc(CN[C@@H](C)c2cncs2)ccc1N(C)C ZINC000772996592 627838800 /nfs/dbraw/zinc/83/88/00/627838800.db2.gz FOKOMDKSAWOWGV-LBPRGKRZSA-N 0 1 275.421 3.368 20 10 CGCDMN Cc1ccc(O)c(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c1 ZINC000775203261 628071756 /nfs/dbraw/zinc/07/17/56/628071756.db2.gz BVXCHIOBHSHWMU-UHFFFAOYSA-N 0 1 287.407 3.353 20 10 CGCDMN CC[C@@H]([NH2+]CCN(CC)CC)c1cc(Cl)ccc1[O-] ZINC000775483241 628099048 /nfs/dbraw/zinc/09/90/48/628099048.db2.gz QLLHQDKKZZVVRW-CQSZACIVSA-N 0 1 284.831 3.428 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000775487719 628099745 /nfs/dbraw/zinc/09/97/45/628099745.db2.gz NXYWTQDVMPNUHZ-JSGCOSHPSA-N 0 1 295.766 3.413 20 10 CGCDMN CC[C@H]([NH2+]Cc1c[nH]nc1C)c1cc(Cl)ccc1[O-] ZINC000775527927 628104352 /nfs/dbraw/zinc/10/43/52/628104352.db2.gz WIHKYLGAQBTNDT-ZDUSSCGKSA-N 0 1 279.771 3.318 20 10 CGCDMN CC[C@@H]([NH2+]C1COC(C)(C)OC1)c1cc(Cl)ccc1[O-] ZINC000775552825 628105644 /nfs/dbraw/zinc/10/56/44/628105644.db2.gz XHIPKDZFUMKURK-CYBMUJFWSA-N 0 1 299.798 3.238 20 10 CGCDMN COCC[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC(C)C ZINC000775656553 628121466 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/nfs/dbraw/zinc/48/45/83/633484583.db2.gz GZSDENNSGJBWSH-UHFFFAOYSA-N 0 1 297.398 3.186 20 10 CGCDMN COc1cccc(O)c1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000827640514 633506194 /nfs/dbraw/zinc/50/61/94/633506194.db2.gz YGNYXDOWWBBPKS-OAHLLOKOSA-N 0 1 299.370 3.054 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCC[C@H](F)C1 ZINC000846119933 636147535 /nfs/dbraw/zinc/14/75/35/636147535.db2.gz KLUAYFUBPPCFMW-JTQLQIEISA-N 0 1 261.699 3.119 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000872712535 634193404 /nfs/dbraw/zinc/19/34/04/634193404.db2.gz RGZZOIFCUFJQMP-GASCZTMLSA-N 0 1 280.371 3.338 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000872712535 634193409 /nfs/dbraw/zinc/19/34/09/634193409.db2.gz RGZZOIFCUFJQMP-GASCZTMLSA-N 0 1 280.371 3.338 20 10 CGCDMN CCCOc1ccc(CNCc2cc(CC)n[nH]2)cc1C ZINC000873050409 634237574 /nfs/dbraw/zinc/23/75/74/634237574.db2.gz VWACXSCWRSSQTI-UHFFFAOYSA-N 0 1 287.407 3.359 20 10 CGCDMN Cc1ccc([C@@H](C)N[C@H]2CCn3ccnc32)c(O)c1C ZINC000834833273 634251687 /nfs/dbraw/zinc/25/16/87/634251687.db2.gz XMKQFIQETZMFKM-OCCSQVGLSA-N 0 1 271.364 3.001 20 10 CGCDMN CCc1ncc(CN[C@H](C)c2cc(C)ccc2O)o1 ZINC000834898311 634274365 /nfs/dbraw/zinc/27/43/65/634274365.db2.gz BWYFDSMXKDWFNQ-LLVKDONJSA-N 0 1 260.337 3.102 20 10 CGCDMN CCCc1ncc(CN[C@H](C)c2cc(C)ccc2O)o1 ZINC000834900453 634276740 /nfs/dbraw/zinc/27/67/40/634276740.db2.gz PXUNRKKVBCTWRK-GFCCVEGCSA-N 0 1 274.364 3.492 20 10 CGCDMN CC[N@@H+](CCc1nccs1)Cc1ccc(F)c(F)c1[O-] ZINC000876776586 634898148 /nfs/dbraw/zinc/89/81/48/634898148.db2.gz FQHDZZAZCDULLG-UHFFFAOYSA-N 0 1 298.358 3.192 20 10 CGCDMN C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCCS1 ZINC000126509682 635035582 /nfs/dbraw/zinc/03/55/82/635035582.db2.gz BVKUZPLKXLZGCS-CYBMUJFWSA-N 0 1 271.813 3.421 20 10 CGCDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccn(C)n2)c(O)c1C ZINC000840816728 635057636 /nfs/dbraw/zinc/05/76/36/635057636.db2.gz OWFAINAKSXLVDU-OLZOCXBDSA-N 0 1 273.380 3.154 20 10 CGCDMN CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C)cc2O)CC1 ZINC000877491554 635058382 /nfs/dbraw/zinc/05/83/82/635058382.db2.gz MLSKVMQYRBLFIY-INIZCTEOSA-N 0 1 263.381 3.092 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](CCO)CC(C)C)c(Cl)c1 ZINC000840902641 635078818 /nfs/dbraw/zinc/07/88/18/635078818.db2.gz VBMJCVTXEMKMBB-ZDUSSCGKSA-N 0 1 299.842 3.488 20 10 CGCDMN C[C@]12CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@H]1C2(F)F ZINC000877543517 635082142 /nfs/dbraw/zinc/08/21/42/635082142.db2.gz HCYHRKAVOJJBSE-MFKMUULPSA-N 0 1 289.272 3.148 20 10 CGCDMN COC[C@@H]1CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840918004 635083290 /nfs/dbraw/zinc/08/32/90/635083290.db2.gz NQMYXTGXRQWKQW-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN COC[C@@H]1CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840918004 635083294 /nfs/dbraw/zinc/08/32/94/635083294.db2.gz NQMYXTGXRQWKQW-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1ccc(CC[NH2+]Cc2c([O-])cc(C)cc2Cl)nc1 ZINC000840953023 635092364 /nfs/dbraw/zinc/09/23/64/635092364.db2.gz KZPPAWXORSOQDC-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN COCC[C@@H](C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840955768 635093162 /nfs/dbraw/zinc/09/31/62/635093162.db2.gz WVAIPCBEPJTJTM-SNVBAGLBSA-N 0 1 271.788 3.116 20 10 CGCDMN CO[C@@](C)([C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000840960996 635094043 /nfs/dbraw/zinc/09/40/43/635094043.db2.gz PHEOOOBOQZIEOU-BMIGLBTASA-N 0 1 283.799 3.339 20 10 CGCDMN COc1ccc2c(c1)CN(Cc1ccc(C)cc1O)C2 ZINC000877619001 635115611 /nfs/dbraw/zinc/11/56/11/635115611.db2.gz LQNCNVKEYIQFNE-UHFFFAOYSA-N 0 1 269.344 3.225 20 10 CGCDMN CCOCOc1ccc(CN2Cc3cccc(O)c3C2)cc1 ZINC000877703171 635155805 /nfs/dbraw/zinc/15/58/05/635155805.db2.gz UQXSRLBIPWBAJK-UHFFFAOYSA-N 0 1 299.370 3.281 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCn3nccc32)cc1Cl ZINC000877778871 635200975 /nfs/dbraw/zinc/20/09/75/635200975.db2.gz VPNJTAKFEBUGQE-ZDUSSCGKSA-N 0 1 291.782 3.175 20 10 CGCDMN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841755760 635230288 /nfs/dbraw/zinc/23/02/88/635230288.db2.gz RTTOMMRRIDKQOU-HZMBPMFUSA-N 0 1 295.766 3.331 20 10 CGCDMN CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841762921 635232873 /nfs/dbraw/zinc/23/28/73/635232873.db2.gz KJLPONHCXNIICM-ZUZCIYMTSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000843427936 635671121 /nfs/dbraw/zinc/67/11/21/635671121.db2.gz WUYCROFCSWIKKF-BBRMVZONSA-N 0 1 287.403 3.432 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CCOC[C@@H]1C1CCC1 ZINC000843428386 635673318 /nfs/dbraw/zinc/67/33/18/635673318.db2.gz IASNBNVORRTMLF-CYBMUJFWSA-N 0 1 299.773 3.186 20 10 CGCDMN C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000105505009 635872577 /nfs/dbraw/zinc/87/25/77/635872577.db2.gz ZEIHHNBVRWFVSX-SKDRFNHKSA-N 0 1 284.197 3.433 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846117411 636146670 /nfs/dbraw/zinc/14/66/70/636146670.db2.gz PTAYPAMYLARNIY-GFCCVEGCSA-N 0 1 291.700 3.416 20 10 CGCDMN CCN(C)c1ccc(C[N@@H+](CCC(=O)[O-])CC(C)C)cc1 ZINC000846263811 636168661 /nfs/dbraw/zinc/16/86/61/636168661.db2.gz GVPNTOQLMLYGIY-UHFFFAOYSA-N 0 1 292.423 3.075 20 10 CGCDMN CCc1cccc(CN(C)Cc2c(C)noc2C)c1O ZINC000848882679 636672447 /nfs/dbraw/zinc/67/24/47/636672447.db2.gz YAIDSXDQYOEYRG-UHFFFAOYSA-N 0 1 274.364 3.191 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])CC2(CCCCC2)O1 ZINC000848928817 636700360 /nfs/dbraw/zinc/70/03/60/636700360.db2.gz OIRLMOJBKXJBOQ-CYBMUJFWSA-N 0 1 293.382 3.455 20 10 CGCDMN C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(Cl)cc1[O-] ZINC000850481970 637085697 /nfs/dbraw/zinc/08/56/97/637085697.db2.gz LMDIHMMHVCLDLD-ONGXEEELSA-N 0 1 269.772 3.264 20 10 CGCDMN Cc1cncc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000850549883 637117631 /nfs/dbraw/zinc/11/76/31/637117631.db2.gz KFWMHEIWZFPLFQ-NSHDSACASA-N 0 1 291.782 3.037 20 10 CGCDMN CN(C)c1ccc(/C=C/CNCc2cc(C3CC3)no2)cc1 ZINC000886269039 637474620 /nfs/dbraw/zinc/47/46/20/637474620.db2.gz JOBPQKCCJKOMHR-ONEGZZNKSA-N 0 1 297.402 3.421 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc2ccccc2c1[O-] ZINC000040671904 639896136 /nfs/dbraw/zinc/89/61/36/639896136.db2.gz FGJSSWKLHKKVLW-HIFRSBDPSA-N 0 1 284.403 3.290 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc2ccccc2c1[O-] ZINC000040671901 639896737 /nfs/dbraw/zinc/89/67/37/639896737.db2.gz FGJSSWKLHKKVLW-DZGCQCFKSA-N 0 1 284.403 3.290 20 10 CGCDMN CC(C)CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000077456244 640240101 /nfs/dbraw/zinc/24/01/01/640240101.db2.gz XVOYYVXULVFEON-OAHLLOKOSA-N 0 1 285.815 3.322 20 10 CGCDMN COc1cc(-c2nc3cc(C)c(F)cc3[nH]2)cc(O)c1O ZINC001250488553 805648904 /nfs/dbraw/zinc/64/89/04/805648904.db2.gz KORPOLGVYMZYSM-UHFFFAOYSA-N 0 1 288.278 3.097 20 10 CGCDMN Oc1cc(-c2nc3ccc(Cl)cc3[nH]2)cc(O)c1O ZINC001251244684 805870028 /nfs/dbraw/zinc/87/00/28/805870028.db2.gz TYAIUPDINHASKG-UHFFFAOYSA-N 0 1 276.679 3.000 20 10 CGCDMN COc1ccnc(NCc2c(C)cc(C)cc2O)c1 ZINC001160807737 806304366 /nfs/dbraw/zinc/30/43/66/806304366.db2.gz BCSDQCPDLGGZSM-UHFFFAOYSA-N 0 1 258.321 3.025 20 10 CGCDMN CCOCc1cc(CNC(C)(C)CF)ccc1OC ZINC001255059128 806534626 /nfs/dbraw/zinc/53/46/26/806534626.db2.gz QPNFNNGBWXUFFO-UHFFFAOYSA-N 0 1 269.360 3.069 20 10 CGCDMN CCCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000037322380 798866025 /nfs/dbraw/zinc/86/60/25/798866025.db2.gz DYFKIQCSCYIZSM-UHFFFAOYSA-N 0 1 269.772 3.480 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH+]2[C@H](C)CCC[C@H]2C)c1[O-] ZINC000037322759 798866486 /nfs/dbraw/zinc/86/64/86/798866486.db2.gz VEUUNBXNYXQNQT-GHMZBOCLSA-N 0 1 279.355 3.497 20 10 CGCDMN CC[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037914573 798879451 /nfs/dbraw/zinc/87/94/51/798879451.db2.gz CEZURTHEGMYBJK-CYBMUJFWSA-N 0 1 265.328 3.108 20 10 CGCDMN CC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037914573 798879459 /nfs/dbraw/zinc/87/94/59/798879459.db2.gz CEZURTHEGMYBJK-CYBMUJFWSA-N 0 1 265.328 3.108 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CS1 ZINC000397927509 799523459 /nfs/dbraw/zinc/52/34/59/799523459.db2.gz KRRGZKYFIYPTML-LDYMZIIASA-N 0 1 257.786 3.029 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403504849 799567259 /nfs/dbraw/zinc/56/72/59/799567259.db2.gz ZRHXFLSEKZUZBD-GIPNMCIBSA-N 0 1 251.757 3.324 20 10 CGCDMN CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H](CC)CO1 ZINC000403891383 799572393 /nfs/dbraw/zinc/57/23/93/799572393.db2.gz WZFOLKDVBCXFAO-STQMWFEESA-N 0 1 283.799 3.435 20 10 CGCDMN CC[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691394092 799783300 /nfs/dbraw/zinc/78/33/00/799783300.db2.gz ZUIANJAHROIKJR-QMMMGPOBSA-N 0 1 258.159 3.043 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000694268476 799820906 /nfs/dbraw/zinc/82/09/06/799820906.db2.gz YDGAGQITFSXNAC-JIMOISOXSA-N 0 1 296.208 3.433 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000694790673 799823986 /nfs/dbraw/zinc/82/39/86/799823986.db2.gz UXHMYINHGCVLCA-DDFAGTSDSA-N 0 1 269.772 3.091 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@H](CCF)C2)ccc(F)c1F ZINC000703613617 799927611 /nfs/dbraw/zinc/92/76/11/799927611.db2.gz UETOQCSPBJPPGD-JTQLQIEISA-N 0 1 273.298 3.242 20 10 CGCDMN C[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706853877 799967417 /nfs/dbraw/zinc/96/74/17/799967417.db2.gz GWTSTXHZQSWLHJ-ZJUUUORDSA-N 0 1 284.197 3.433 20 10 CGCDMN C[C@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707128908 799973831 /nfs/dbraw/zinc/97/38/31/799973831.db2.gz CLKAATXTXWDRDA-JTQLQIEISA-N 0 1 284.197 3.387 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707128908 799973834 /nfs/dbraw/zinc/97/38/34/799973834.db2.gz CLKAATXTXWDRDA-JTQLQIEISA-N 0 1 284.197 3.387 20 10 CGCDMN C[C@@H]1CCCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708383672 799987486 /nfs/dbraw/zinc/98/74/86/799987486.db2.gz NEDZDJQSKASAJN-SNVBAGLBSA-N 0 1 255.308 3.292 20 10 CGCDMN Oc1cccc(Cl)c1C[N@H+]1CCC[C@H](CF)C1 ZINC000711479458 800063075 /nfs/dbraw/zinc/06/30/75/800063075.db2.gz XYYGYTXBCMARBY-SNVBAGLBSA-N 0 1 257.736 3.227 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711479458 800063080 /nfs/dbraw/zinc/06/30/80/800063080.db2.gz XYYGYTXBCMARBY-SNVBAGLBSA-N 0 1 257.736 3.227 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](CF)C1 ZINC000711479458 800063089 /nfs/dbraw/zinc/06/30/89/800063089.db2.gz XYYGYTXBCMARBY-SNVBAGLBSA-N 0 1 257.736 3.227 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(C)CC2(F)F)c(Cl)c1 ZINC000850379527 800517889 /nfs/dbraw/zinc/51/78/89/800517889.db2.gz SHJNXDTZDLGNLB-LBPRGKRZSA-N 0 1 275.726 3.489 20 10 CGCDMN Cc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)[nH]n1 ZINC001116327183 802330942 /nfs/dbraw/zinc/33/09/42/802330942.db2.gz IQMXSDCSDYNGRG-UHFFFAOYSA-N 0 1 298.434 3.340 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC(CC2CCOCC2)C1 ZINC001119517064 802675930 /nfs/dbraw/zinc/67/59/30/802675930.db2.gz MTRXVWDVWXFTDP-UHFFFAOYSA-N 0 1 295.810 3.294 20 10 CGCDMN Cc1cc(CN2CC3(CC(O)C3)C2)c(C)n1-c1ccccc1 ZINC001137854388 803785740 /nfs/dbraw/zinc/78/57/40/803785740.db2.gz UPLSXNZKFRIKGP-UHFFFAOYSA-N 0 1 296.414 3.051 20 10 CGCDMN CN1CCCc2cc(C[N@@H+](C)Cc3ccccn3)ccc21 ZINC001138354724 803901239 /nfs/dbraw/zinc/90/12/39/803901239.db2.gz ROUCCHVYMZVTIB-UHFFFAOYSA-N 0 1 281.403 3.096 20 10 CGCDMN CN(Cc1ccc2c(c1)CCCN2C)Cc1ccccn1 ZINC001138354724 803901247 /nfs/dbraw/zinc/90/12/47/803901247.db2.gz ROUCCHVYMZVTIB-UHFFFAOYSA-N 0 1 281.403 3.096 20 10 CGCDMN Cc1cc(CN2CC3(C2)C[C@@H](F)CS3)ccc1N(C)C ZINC001139673836 804247105 /nfs/dbraw/zinc/24/71/05/804247105.db2.gz LDZBXZQPOSTUSV-CQSZACIVSA-N 0 1 294.439 3.090 20 10 CGCDMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139682659 804252571 /nfs/dbraw/zinc/25/25/71/804252571.db2.gz AOXNQDAMRNKLSD-VHSXEESVSA-N 0 1 255.308 3.291 20 10 CGCDMN C[N@@H+](CCc1ccccn1)Cc1ccc(Cl)cc1O ZINC001140461915 804441216 /nfs/dbraw/zinc/44/12/16/804441216.db2.gz XZNWMHMLYHOCIL-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN C[N@H+](CCc1ccccn1)Cc1ccc(Cl)cc1[O-] ZINC001140461915 804441222 /nfs/dbraw/zinc/44/12/22/804441222.db2.gz XZNWMHMLYHOCIL-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN C[N@@H+](CCc1ccccn1)Cc1ccc(Cl)cc1[O-] ZINC001140461915 804441224 /nfs/dbraw/zinc/44/12/24/804441224.db2.gz XZNWMHMLYHOCIL-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN Oc1cc(Cl)ccc1CN1CCCC[C@H](F)C1 ZINC001140461636 804442180 /nfs/dbraw/zinc/44/21/80/804442180.db2.gz OHBAYNHZFUYPHF-LBPRGKRZSA-N 0 1 257.736 3.370 20 10 CGCDMN CO[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140466066 804442651 /nfs/dbraw/zinc/44/26/51/804442651.db2.gz VYEAOLBMCLXSHV-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140466066 804442653 /nfs/dbraw/zinc/44/26/53/804442653.db2.gz VYEAOLBMCLXSHV-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN C[N@@H+](Cc1cccc(O)c1)Cc1c([O-])cc(F)cc1F ZINC001140583135 804466773 /nfs/dbraw/zinc/46/67/73/804466773.db2.gz WUJOSUAZQDMODY-UHFFFAOYSA-N 0 1 279.286 3.008 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001140582776 804466887 /nfs/dbraw/zinc/46/68/87/804466887.db2.gz MQDDNGOOJWCYNP-OAHLLOKOSA-N 0 1 290.313 3.403 20 10 CGCDMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140583616 804468420 /nfs/dbraw/zinc/46/84/20/804468420.db2.gz NYRPCUJSQYPMBF-NSHDSACASA-N 0 1 255.308 3.435 20 10 CGCDMN CN(C)c1ccc(CN(C)C[C@H]2CCCCO2)c(Cl)c1 ZINC001140924943 804550680 /nfs/dbraw/zinc/55/06/80/804550680.db2.gz XSOMCNNSROLSTI-OAHLLOKOSA-N 0 1 296.842 3.407 20 10 CGCDMN CCC(CC)[N@H+](CC)Cc1c([O-])cc(OC)cc1OC ZINC001141028841 804575169 /nfs/dbraw/zinc/57/51/69/804575169.db2.gz BPRYEKNRNNWEEJ-UHFFFAOYSA-N 0 1 281.396 3.420 20 10 CGCDMN CCC(CC)[N@@H+](CC)Cc1c([O-])cc(OC)cc1OC ZINC001141028841 804575170 /nfs/dbraw/zinc/57/51/70/804575170.db2.gz BPRYEKNRNNWEEJ-UHFFFAOYSA-N 0 1 281.396 3.420 20 10 CGCDMN COc1ccc(C[N@@H+](C)Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142512844 804729340 /nfs/dbraw/zinc/72/93/40/804729340.db2.gz NFAXVHVCXSLVEN-UHFFFAOYSA-N 0 1 293.313 3.311 20 10 CGCDMN COc1c(F)ccc(CN(C)Cc2ccccc2O)c1F ZINC001143329645 804837340 /nfs/dbraw/zinc/83/73/40/804837340.db2.gz YAOAFLUPKSOIJZ-UHFFFAOYSA-N 0 1 293.313 3.311 20 10 CGCDMN 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PNIGXVNRAYURPH-UHFFFAOYSA-N 0 1 251.370 3.330 20 10 CGCDMN C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236827654 819609198 /nfs/dbraw/zinc/60/91/98/819609198.db2.gz VOSBXCFFJUJLFI-KBPBESRZSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1CC[C@H](CO)C[N@H+]1Cc1cc2ccccc2cc1[O-] ZINC001236827654 819609204 /nfs/dbraw/zinc/60/92/04/819609204.db2.gz VOSBXCFFJUJLFI-KBPBESRZSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1C[N@H+](Cc2cc3ccccc3cc2[O-])CCC[C@H]1O ZINC001236826745 819609658 /nfs/dbraw/zinc/60/96/58/819609658.db2.gz MEDRKNNBZKOTDW-SUMWQHHRSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc3ccccc3cc2[O-])CCC[C@H]1O ZINC001236826745 819609663 /nfs/dbraw/zinc/60/96/63/819609663.db2.gz MEDRKNNBZKOTDW-SUMWQHHRSA-N 0 1 285.387 3.138 20 10 CGCDMN [O-]c1cc2ccccc2cc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC001236827895 819609961 /nfs/dbraw/zinc/60/99/61/819609961.db2.gz WCLSWQZSTATDSF-CQSZACIVSA-N 0 1 285.387 3.140 20 10 CGCDMN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC001236827895 819609963 /nfs/dbraw/zinc/60/99/63/819609963.db2.gz WCLSWQZSTATDSF-CQSZACIVSA-N 0 1 285.387 3.140 20 10 CGCDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078783 819661948 /nfs/dbraw/zinc/66/19/48/819661948.db2.gz WYRNNTZVUPYBDW-BDAKNGLRSA-N 0 1 290.190 3.044 20 10 CGCDMN COC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237122127 819673518 /nfs/dbraw/zinc/67/35/18/819673518.db2.gz SERURHLVXTYFST-SNVBAGLBSA-N 0 1 287.762 3.186 20 10 CGCDMN COC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237122127 819673523 /nfs/dbraw/zinc/67/35/23/819673523.db2.gz SERURHLVXTYFST-SNVBAGLBSA-N 0 1 287.762 3.186 20 10 CGCDMN CO[C@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237127020 819673955 /nfs/dbraw/zinc/67/39/55/819673955.db2.gz SFAYVEYQLAZKDX-JTQLQIEISA-N 0 1 287.762 3.186 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237127020 819673959 /nfs/dbraw/zinc/67/39/59/819673959.db2.gz SFAYVEYQLAZKDX-JTQLQIEISA-N 0 1 287.762 3.186 20 10 CGCDMN Cc1cccc(O)c1C[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001237483709 819760524 /nfs/dbraw/zinc/76/05/24/819760524.db2.gz RHXWBNSOAUZKTE-HIFRSBDPSA-N 0 1 273.376 3.034 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001237618246 819788653 /nfs/dbraw/zinc/78/86/53/819788653.db2.gz FFGMSKBBRKBALX-HZMBPMFUSA-N 0 1 299.773 3.186 20 10 CGCDMN Cc1nc2c(s1)CN(Cc1cc(F)cc(Cl)c1O)C2 ZINC001237803979 819843895 /nfs/dbraw/zinc/84/38/95/819843895.db2.gz XNAXGYQMSJUAIJ-UHFFFAOYSA-N 0 1 298.770 3.465 20 10 CGCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC001237938231 819889870 /nfs/dbraw/zinc/88/98/70/819889870.db2.gz ZTGIXXJHSWCNRS-SECBINFHSA-N 0 1 275.726 3.366 20 10 CGCDMN Cc1cc(F)cc(CN2CCc3sccc3C2)c1O ZINC001238064462 819920724 /nfs/dbraw/zinc/92/07/24/819920724.db2.gz PKYHAKYHUIDNIJ-UHFFFAOYSA-N 0 1 277.364 3.460 20 10 CGCDMN Cc1cccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c21 ZINC000123853849 926939629 /nfs/dbraw/zinc/93/96/29/926939629.db2.gz XCJWEIMTAYHEEQ-UHFFFAOYSA-N 0 1 293.370 3.375 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2(O)CCC(C)CC2)cc1Cl ZINC001308882141 928550866 /nfs/dbraw/zinc/55/08/66/928550866.db2.gz ZYLFNBINWIZICK-UHFFFAOYSA-N 0 1 297.826 3.385 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000402389085 932018056 /nfs/dbraw/zinc/01/80/56/932018056.db2.gz RYWYCCAKGOXNAB-YRGRVCCFSA-N 0 1 271.360 3.373 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCCC2(CC2)C1 ZINC001462124867 937619695 /nfs/dbraw/zinc/61/96/95/937619695.db2.gz DTMGBOSXZOPMJO-UHFFFAOYSA-N 0 1 251.757 3.422 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCCC2(CC2)C1 ZINC001462124867 937619698 /nfs/dbraw/zinc/61/96/98/937619698.db2.gz DTMGBOSXZOPMJO-UHFFFAOYSA-N 0 1 251.757 3.422 20 10 CGCDMN CCn1ccc(C[N@H+](C)Cc2ccc(Cl)cc2[O-])c1 ZINC001462096254 937617392 /nfs/dbraw/zinc/61/73/92/937617392.db2.gz MSUVBZUUNJWGET-UHFFFAOYSA-N 0 1 278.783 3.499 20 10 CGCDMN CCn1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2[O-])c1 ZINC001462096254 937617395 /nfs/dbraw/zinc/61/73/95/937617395.db2.gz MSUVBZUUNJWGET-UHFFFAOYSA-N 0 1 278.783 3.499 20 10 CGCDMN C[C@H](O)[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001462479306 937644410 /nfs/dbraw/zinc/64/44/10/937644410.db2.gz NOSUIAHZXQPMOP-ZBEGNZNMSA-N 0 1 291.778 3.257 20 10 CGCDMN COc1cc(C)c(C[N@H+](C)[C@@H](C)C(C)C)c([O-])c1 ZINC001308613984 933143577 /nfs/dbraw/zinc/14/35/77/933143577.db2.gz KWTWVMFHRZSSNF-LBPRGKRZSA-N 0 1 251.370 3.186 20 10 CGCDMN COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(C)C)c([O-])c1 ZINC001308613984 933143578 /nfs/dbraw/zinc/14/35/78/933143578.db2.gz KWTWVMFHRZSSNF-LBPRGKRZSA-N 0 1 251.370 3.186 20 10 CGCDMN COc1cccc(O)c1C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC001320697794 934089675 /nfs/dbraw/zinc/08/96/75/934089675.db2.gz CULPVHOXHOOBLO-CYBMUJFWSA-N 0 1 263.381 3.269 20 10 CGCDMN CC[C@]1(C)COCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321408326 934180704 /nfs/dbraw/zinc/18/07/04/934180704.db2.gz KQMDNRSBOUEZAJ-GOSISDBHSA-N 0 1 288.435 3.288 20 10 CGCDMN CC[C@]1(C)COCCN1Cc1ccc(N2CCCC2)cc1 ZINC001321408326 934180711 /nfs/dbraw/zinc/18/07/11/934180711.db2.gz KQMDNRSBOUEZAJ-GOSISDBHSA-N 0 1 288.435 3.288 20 10 CGCDMN CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC001330432164 935288380 /nfs/dbraw/zinc/28/83/80/935288380.db2.gz MJVKKCSTUIUNBU-HUUCEWRRSA-N 0 1 271.360 3.203 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC001331582851 935396073 /nfs/dbraw/zinc/39/60/73/935396073.db2.gz JWZVANHUWIHDGD-CYBMUJFWSA-N 0 1 289.272 3.292 20 10 CGCDMN COc1ccc(F)cc1[C@@H](C)NCc1ccc(N)cc1 ZINC001337838181 936293659 /nfs/dbraw/zinc/29/36/59/936293659.db2.gz JQAYXSGGUCALNW-LLVKDONJSA-N 0 1 274.339 3.267 20 10 CGCDMN CC[N@@H+](CCc1ccccn1)Cc1cc(F)c(F)cc1[O-] ZINC001474366435 937854618 /nfs/dbraw/zinc/85/46/18/937854618.db2.gz QHOMKIHWPCWUAP-UHFFFAOYSA-N 0 1 292.329 3.130 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001560886069 938281917 /nfs/dbraw/zinc/28/19/17/938281917.db2.gz UAFLDOMLWHRFCF-LLVKDONJSA-N 0 1 267.319 3.292 20 10 CGCDMN Nc1ccc(CN[C@H]2COc3ccc(Cl)cc32)cc1 ZINC001580445548 962727777 /nfs/dbraw/zinc/72/77/77/962727777.db2.gz JTKOJEQONIQTET-AWEZNQCLSA-N 0 1 274.751 3.146 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC001588968957 963340143 /nfs/dbraw/zinc/34/01/43/963340143.db2.gz WBBGXFUOFRVOJP-CYBMUJFWSA-N 0 1 291.391 3.202 20 10 CGCDMN CCCC[N@@H+](C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC001595737293 982391442 /nfs/dbraw/zinc/39/14/42/982391442.db2.gz UPTGPGCITFZSOS-UHFFFAOYSA-N 0 1 287.359 3.476 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])[C@H](C)CC ZINC001595747637 982415122 /nfs/dbraw/zinc/41/51/22/982415122.db2.gz HFYTYTUTBDKQAR-CJNGLKHVSA-N 0 1 293.407 3.494 20 10 CGCDMN CCN(C)c1ccc([C@@H](C)NCc2cccnc2OC)cc1 ZINC000151142453 371576468 /nfs/dbraw/zinc/57/64/68/371576468.db2.gz SHIVBGVEGYHGHU-CQSZACIVSA-N 0 1 299.418 3.397 20 10 CGCDMN COc1nc(C)cc(C)c1CN(C)Cc1ccccc1O ZINC000287828689 371710179 /nfs/dbraw/zinc/71/01/79/371710179.db2.gz PZLQQHGMKWCDOJ-UHFFFAOYSA-N 0 1 286.375 3.045 20 10 CGCDMN CCOC1(C)CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000292768226 372206213 /nfs/dbraw/zinc/20/62/13/372206213.db2.gz KCQBLPWMUOYBIL-UHFFFAOYSA-N 0 1 283.799 3.437 20 10 CGCDMN C[N@H+](Cc1c([O-])cccc1Cl)[C@H](CO)c1ccccc1 ZINC000295097447 372692733 /nfs/dbraw/zinc/69/27/33/372692733.db2.gz SGKQKBDVALZXOM-OAHLLOKOSA-N 0 1 291.778 3.211 20 10 CGCDMN C[N@@H+](Cc1c([O-])cccc1Cl)[C@H](CO)c1ccccc1 ZINC000295097447 372692743 /nfs/dbraw/zinc/69/27/43/372692743.db2.gz SGKQKBDVALZXOM-OAHLLOKOSA-N 0 1 291.778 3.211 20 10 CGCDMN CN(Cc1c(O)cccc1Cl)[C@H](CO)c1ccccc1 ZINC000295097447 372692751 /nfs/dbraw/zinc/69/27/51/372692751.db2.gz SGKQKBDVALZXOM-OAHLLOKOSA-N 0 1 291.778 3.211 20 10 CGCDMN CC[C@@H](NCc1nccn1CC)c1ccc(C)cc1O ZINC000296652679 373209022 /nfs/dbraw/zinc/20/90/22/373209022.db2.gz YZWDDHSVFBXKCF-CQSZACIVSA-N 0 1 273.380 3.158 20 10 CGCDMN CCOC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180258239 373984612 /nfs/dbraw/zinc/98/46/12/373984612.db2.gz CWWXIJJAGTZCNN-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC2(CCC2)C1 ZINC000180282402 373986691 /nfs/dbraw/zinc/98/66/91/373986691.db2.gz ZAGOXZJXZQLIOI-UHFFFAOYSA-N 0 1 251.757 3.422 20 10 CGCDMN C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000189340116 375370044 /nfs/dbraw/zinc/37/00/44/375370044.db2.gz MDZAWIXUVZVVNW-IPYPFGDCSA-N 0 1 285.387 3.357 20 10 CGCDMN OC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000269375705 378214073 /nfs/dbraw/zinc/21/40/73/378214073.db2.gz VPPBZDPCTNOCJC-HNNXBMFYSA-N 0 1 297.398 3.264 20 10 CGCDMN CN(C)c1cccc(C[N@@H+](C)Cc2cccc(F)c2[O-])c1 ZINC000272363566 378620181 /nfs/dbraw/zinc/62/01/81/378620181.db2.gz FSFJNGUXHGFNPY-UHFFFAOYSA-N 0 1 288.366 3.229 20 10 CGCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCCC[C@@H]1O ZINC000272646289 378682627 /nfs/dbraw/zinc/68/26/27/378682627.db2.gz PDOMDGDRHJLDLG-FZMZJTMJSA-N 0 1 283.799 3.029 20 10 CGCDMN Cc1ccc([C@H](C)NCc2nccs2)c(O)c1C ZINC000273399587 378743205 /nfs/dbraw/zinc/74/32/05/378743205.db2.gz MUIBWWUPFWYNRH-NSHDSACASA-N 0 1 262.378 3.316 20 10 CGCDMN C[C@@H](c1ccncc1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000273392150 378743809 /nfs/dbraw/zinc/74/38/09/378743809.db2.gz KDCVWQUSYUUYNF-ZDUSSCGKSA-N 0 1 287.382 3.480 20 10 CGCDMN C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000273575767 378754662 /nfs/dbraw/zinc/75/46/62/378754662.db2.gz LVQODASZQQKXHF-PGUXBMHVSA-N 0 1 294.826 3.179 20 10 CGCDMN CCCCN(Cc1cocn1)Cc1ccccc1O ZINC000282966725 380018907 /nfs/dbraw/zinc/01/89/07/380018907.db2.gz IIXWLMJVGIMIIE-UHFFFAOYSA-N 0 1 260.337 3.183 20 10 CGCDMN Cc1ccc(O)c(CN[C@H](C)c2c(F)cncc2F)c1 ZINC000285613683 380151143 /nfs/dbraw/zinc/15/11/43/380151143.db2.gz XNJVTKJSEZJDHG-SNVBAGLBSA-N 0 1 278.302 3.225 20 10 CGCDMN CCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000132051098 392458223 /nfs/dbraw/zinc/45/82/23/392458223.db2.gz VHZIYSPAKRAMPB-MRVPVSSYSA-N 0 1 258.159 3.215 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCSCC1 ZINC000126201988 296589441 /nfs/dbraw/zinc/58/94/41/296589441.db2.gz WNEQQRYORONIBZ-UHFFFAOYSA-N 0 1 278.204 3.248 20 10 CGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccn1 ZINC000020123509 171005090 /nfs/dbraw/zinc/00/50/90/171005090.db2.gz YVZBXGAAYCGBRF-JTQLQIEISA-N 0 1 262.740 3.291 20 10 CGCDMN CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000092391919 260270092 /nfs/dbraw/zinc/27/00/92/260270092.db2.gz YAQLFLQZTOTBQF-BLLLJJGKSA-N 0 1 273.376 3.213 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000371333570 267392455 /nfs/dbraw/zinc/39/24/55/267392455.db2.gz DOWKDUBUVXZVPL-UHFFFAOYSA-N 0 1 291.782 3.148 20 10 CGCDMN CCc1nnc(CN[C@H](CC)c2ccccc2O)s1 ZINC000273116848 327852682 /nfs/dbraw/zinc/85/26/82/327852682.db2.gz HAGIGGOZTGYADO-LLVKDONJSA-N 0 1 277.393 3.047 20 10 CGCDMN Cc1ccc(O)c(CN2CCOC[C@@H]2c2ccccc2)c1 ZINC000378342677 329046676 /nfs/dbraw/zinc/04/66/76/329046676.db2.gz PZENLGCCXICGSS-QGZVFWFLSA-N 0 1 283.371 3.274 20 10 CGCDMN Oc1c(Cl)cccc1CN1CCO[C@@H](c2ccco2)C1 ZINC000180628912 329221286 /nfs/dbraw/zinc/22/12/86/329221286.db2.gz VHYMMCQQUKXCNN-CQSZACIVSA-N 0 1 293.750 3.212 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000180628912 329221288 /nfs/dbraw/zinc/22/12/88/329221288.db2.gz VHYMMCQQUKXCNN-CQSZACIVSA-N 0 1 293.750 3.212 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000180628912 329221289 /nfs/dbraw/zinc/22/12/89/329221289.db2.gz VHYMMCQQUKXCNN-CQSZACIVSA-N 0 1 293.750 3.212 20 10 CGCDMN Cc1cnn(-c2ccncc2NCc2cccc(C)c2O)c1 ZINC000182668336 329243587 /nfs/dbraw/zinc/24/35/87/329243587.db2.gz YTJKHTKDKUIOCE-UHFFFAOYSA-N 0 1 294.358 3.202 20 10 CGCDMN CC(C)COC[C@@H](NCc1ccccc1O)c1ccco1 ZINC000236622724 519755509 /nfs/dbraw/zinc/75/55/09/519755509.db2.gz WPUOUGLEPFUTGE-OAHLLOKOSA-N 0 1 289.375 3.489 20 10 CGCDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H](C)C(C)C ZINC000278272280 521330648 /nfs/dbraw/zinc/33/06/48/521330648.db2.gz RVCBHTWBDWRIIR-NSHDSACASA-N 0 1 296.367 3.175 20 10 CGCDMN CC[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000291604759 521350451 /nfs/dbraw/zinc/35/04/51/521350451.db2.gz QQSZGYOKKIGXQT-CYBMUJFWSA-N 0 1 281.371 3.311 20 10 CGCDMN CC[C@H](C)c1nnc([C@H](C)NCc2cccc(C)c2O)[nH]1 ZINC000277110095 522050965 /nfs/dbraw/zinc/05/09/65/522050965.db2.gz HWASDFZILDKPEZ-JQWIXIFHSA-N 0 1 288.395 3.183 20 10 CGCDMN CC[C@H](N[C@H](C)c1nnc(C(C)C)[nH]1)c1ccccc1O ZINC000274812129 522745014 /nfs/dbraw/zinc/74/50/14/522745014.db2.gz YDKTZHRUKFXXEW-YPMHNXCESA-N 0 1 288.395 3.436 20 10 CGCDMN COC[C@H](NCc1cc(C)c(C)cc1O)c1ccco1 ZINC000080239801 522749027 /nfs/dbraw/zinc/74/90/27/522749027.db2.gz LHALSGRNGRNTAB-AWEZNQCLSA-N 0 1 275.348 3.079 20 10 CGCDMN CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000290297235 523891243 /nfs/dbraw/zinc/89/12/43/523891243.db2.gz YKNQRFZRIZNLFQ-OPRDCNLKSA-N 0 1 257.761 3.120 20 10 CGCDMN Cc1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)ncn1 ZINC000292204684 524670074 /nfs/dbraw/zinc/67/00/74/524670074.db2.gz PAZOVFGVHUWJFV-UHFFFAOYSA-N 0 1 296.418 3.016 20 10 CGCDMN Oc1c(Cl)cccc1CN[C@H](C1CC1)C(F)(F)F ZINC000290107858 526329071 /nfs/dbraw/zinc/32/90/71/526329071.db2.gz HZGCTXMEKZIKDH-LLVKDONJSA-N 0 1 279.689 3.476 20 10 CGCDMN C[C@@H]1SCC[N@@H+](Cc2c(O)ccc3ccncc32)[C@H]1C ZINC000735668555 572737654 /nfs/dbraw/zinc/73/76/54/572737654.db2.gz VDEIYWXOAUYGAG-RYUDHWBXSA-N 0 1 288.416 3.266 20 10 CGCDMN C[C@@H]1SCC[N@H+](Cc2c([O-])ccc3ccncc32)[C@H]1C ZINC000735668555 572737659 /nfs/dbraw/zinc/73/76/59/572737659.db2.gz VDEIYWXOAUYGAG-RYUDHWBXSA-N 0 1 288.416 3.266 20 10 CGCDMN C[C@@H]1SCC[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H]1C ZINC000735668555 572737661 /nfs/dbraw/zinc/73/76/61/572737661.db2.gz VDEIYWXOAUYGAG-RYUDHWBXSA-N 0 1 288.416 3.266 20 10 CGCDMN Cc1cnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000750282917 573107806 /nfs/dbraw/zinc/10/78/06/573107806.db2.gz APHBWBKRJAWZGH-UHFFFAOYSA-N 0 1 298.434 3.262 20 10 CGCDMN Cc1ccc(O)c(CN(C)Cc2ccccc2F)c1 ZINC000160730532 618137181 /nfs/dbraw/zinc/13/71/81/618137181.db2.gz PTDWYIHYRSPRKL-UHFFFAOYSA-N 0 1 259.324 3.472 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1[O-] ZINC000161842365 618722938 /nfs/dbraw/zinc/72/29/38/618722938.db2.gz VMMWPODUQLXCPK-QWRGUYRKSA-N 0 1 279.355 3.212 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1[O-] ZINC000161842365 618722939 /nfs/dbraw/zinc/72/29/39/618722939.db2.gz VMMWPODUQLXCPK-QWRGUYRKSA-N 0 1 279.355 3.212 20 10 CGCDMN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C)c1O ZINC000162819005 618883302 /nfs/dbraw/zinc/88/33/02/618883302.db2.gz JGTVOCFEFXHMSM-JTQLQIEISA-N 0 1 284.197 3.447 20 10 CGCDMN CN(C)c1ccc(CNc2nccn2C2CC2)cc1F ZINC000840887857 618898729 /nfs/dbraw/zinc/89/87/29/618898729.db2.gz YEBWSVHKEMFQLT-UHFFFAOYSA-N 0 1 274.343 3.035 20 10 CGCDMN CCOCC(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000311962355 618979902 /nfs/dbraw/zinc/97/99/02/618979902.db2.gz JPOLNRBZDBDIAC-LLVKDONJSA-N 0 1 269.360 3.245 20 10 CGCDMN C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)[C@@H](C)[C@@H](C)O1 ZINC000792180193 619603751 /nfs/dbraw/zinc/60/37/51/619603751.db2.gz NMJTUBKVJGFCGD-KXUCPTDWSA-N 0 1 287.762 3.182 20 10 CGCDMN CCCOc1ccc(CN[C@@H](C)c2n[nH]c(C)n2)cc1C ZINC000894776950 619630074 /nfs/dbraw/zinc/63/00/74/619630074.db2.gz GKYDEBLHRTZYJN-LBPRGKRZSA-N 0 1 288.395 3.061 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000894780157 619634189 /nfs/dbraw/zinc/63/41/89/619634189.db2.gz YEJUQJGVGFWNRH-UHFFFAOYSA-N 0 1 290.313 3.230 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC12CCCC2 ZINC000895133756 619746995 /nfs/dbraw/zinc/74/69/95/619746995.db2.gz OQVBZHQXZKMOMH-UHFFFAOYSA-N 0 1 253.292 3.189 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@@H](c3nccs3)C2)ccc(F)c1F ZINC000895582755 619856271 /nfs/dbraw/zinc/85/62/71/619856271.db2.gz LTSFWPWUSRARNU-SNVBAGLBSA-N 0 1 296.342 3.116 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895844429 619892773 /nfs/dbraw/zinc/89/27/73/619892773.db2.gz FOTGYTBAMMZKMT-MEBBXXQBSA-N 0 1 299.773 3.186 20 10 CGCDMN Cc1ccc(CN2CCS[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000896454199 620009494 /nfs/dbraw/zinc/00/94/94/620009494.db2.gz VASBNKAPXZSRMN-GFCCVEGCSA-N 0 1 291.338 3.180 20 10 CGCDMN CCCCOC(=O)[C@H](C)N(CCC)Cc1ccccc1O ZINC000303956516 620196144 /nfs/dbraw/zinc/19/61/44/620196144.db2.gz XOCFQVDPEOFXLP-AWEZNQCLSA-N 0 1 293.407 3.336 20 10 CGCDMN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cncs1 ZINC000897929290 620450065 /nfs/dbraw/zinc/45/00/65/620450065.db2.gz PPYAJIDLKGKCOC-LLVKDONJSA-N 0 1 274.389 3.319 20 10 CGCDMN CN(C)c1ccc(CN[C@@H]2COCc3ccccc32)cc1 ZINC000225980798 622935391 /nfs/dbraw/zinc/93/53/91/622935391.db2.gz ZJCJINGVXGTLNU-GOSISDBHSA-N 0 1 282.387 3.114 20 10 CGCDMN CC1(C)C[C@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000226256489 622958942 /nfs/dbraw/zinc/95/89/42/622958942.db2.gz BNQSYDYYKDEGHF-JTQLQIEISA-N 0 1 284.197 3.290 20 10 CGCDMN C[C@H]1CSCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000172514385 623254055 /nfs/dbraw/zinc/25/40/55/623254055.db2.gz AMIRFSYWSGVLAM-LBPRGKRZSA-N 0 1 273.401 3.483 20 10 CGCDMN CN(Cc1cc(F)ccc1O)Cc1ccccc1F ZINC000179883839 624694937 /nfs/dbraw/zinc/69/49/37/624694937.db2.gz DUFDUHANRGXGIM-UHFFFAOYSA-N 0 1 263.287 3.302 20 10 CGCDMN CC[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184679634 625261855 /nfs/dbraw/zinc/26/18/55/625261855.db2.gz LZMYKGJRWSMYQR-SECBINFHSA-N 0 1 257.761 3.285 20 10 CGCDMN CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184679634 625261862 /nfs/dbraw/zinc/26/18/62/625261862.db2.gz LZMYKGJRWSMYQR-SECBINFHSA-N 0 1 257.761 3.285 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCO[C@@H]1CCCCO1 ZINC000922232174 625987669 /nfs/dbraw/zinc/98/76/69/625987669.db2.gz HQHXXDINLSZMBK-OAHLLOKOSA-N 0 1 299.798 3.069 20 10 CGCDMN C[C@H](NCc1cnc(C2CC2)nc1)c1ccc(N(C)C)cc1 ZINC000839014819 626298516 /nfs/dbraw/zinc/29/85/16/626298516.db2.gz HVPIDGVTJQZHQQ-ZDUSSCGKSA-N 0 1 296.418 3.271 20 10 CGCDMN C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756606200 626719906 /nfs/dbraw/zinc/71/99/06/626719906.db2.gz WMLCRTVAHVDULL-ZPFDUUQYSA-N 0 1 281.371 3.076 20 10 CGCDMN CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756628740 626722291 /nfs/dbraw/zinc/72/22/91/626722291.db2.gz XEHPYDTURSDYPY-NTZNESFSSA-N 0 1 285.815 3.493 20 10 CGCDMN CCC1(O)CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000756665375 626725739 /nfs/dbraw/zinc/72/57/39/626725739.db2.gz UXPOHOZVXQTIRI-FFKNIBCLSA-N 0 1 281.371 3.266 20 10 CGCDMN CC[C@H](O)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756736683 626728564 /nfs/dbraw/zinc/72/85/64/626728564.db2.gz CGBBGLYUYDFPCG-JQWIXIFHSA-N 0 1 271.788 3.247 20 10 CGCDMN C[C@H](NCc1ncccc1F)c1cc(Cl)ccc1O ZINC000756768802 626730899 /nfs/dbraw/zinc/73/08/99/626730899.db2.gz MRXNNUYXVFTISH-VIFPVBQESA-N 0 1 280.730 3.431 20 10 CGCDMN C[C@H]1C[C@@H](NCc2ncccc2F)c2c1c(F)ccc2O ZINC000756768181 626730905 /nfs/dbraw/zinc/73/09/05/626730905.db2.gz KQLKVKPZQKIFDB-JOYOIKCWSA-N 0 1 290.313 3.404 20 10 CGCDMN C[N@@H+](Cc1ccncc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000757890980 626812529 /nfs/dbraw/zinc/81/25/29/626812529.db2.gz WZQUFUOGTNOQEN-UHFFFAOYSA-N 0 1 280.730 3.212 20 10 CGCDMN COc1ccc(N(C)Cc2[nH]nc3ccccc32)cc1OC ZINC000761220353 627026448 /nfs/dbraw/zinc/02/64/48/627026448.db2.gz AUYVFJWBYPGBJC-UHFFFAOYSA-N 0 1 297.358 3.217 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C ZINC000766375144 627324104 /nfs/dbraw/zinc/32/41/04/627324104.db2.gz RMJZWWZWNZJPLE-CHWSQXEVSA-N 0 1 270.376 3.418 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C ZINC000766375144 627324107 /nfs/dbraw/zinc/32/41/07/627324107.db2.gz RMJZWWZWNZJPLE-CHWSQXEVSA-N 0 1 270.376 3.418 20 10 CGCDMN CSC[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000767774702 627436574 /nfs/dbraw/zinc/43/65/74/627436574.db2.gz KUTWUZLXKZEWBC-CYBMUJFWSA-N 0 1 288.416 3.268 20 10 CGCDMN CSC[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000767774702 627436576 /nfs/dbraw/zinc/43/65/76/627436576.db2.gz KUTWUZLXKZEWBC-CYBMUJFWSA-N 0 1 288.416 3.268 20 10 CGCDMN C[C@H](NCCCSc1nccs1)c1cscn1 ZINC000768105025 627458762 /nfs/dbraw/zinc/45/87/62/627458762.db2.gz YWAOSXVOBCZVOO-VIFPVBQESA-N 0 1 285.463 3.433 20 10 CGCDMN C[C@@H](NCCCSc1nccs1)c1cscn1 ZINC000768105021 627458960 /nfs/dbraw/zinc/45/89/60/627458960.db2.gz YWAOSXVOBCZVOO-SECBINFHSA-N 0 1 285.463 3.433 20 10 CGCDMN COc1cccc(O)c1CN(C)Cc1ccc(F)cc1 ZINC000768175911 627465846 /nfs/dbraw/zinc/46/58/46/627465846.db2.gz XQCYQFKWQSFVMY-UHFFFAOYSA-N 0 1 275.323 3.172 20 10 CGCDMN C[N@@H+](Cc1ccc[nH]1)Cc1cccc(Br)c1[O-] ZINC000769541593 627564706 /nfs/dbraw/zinc/56/47/06/627564706.db2.gz DOORZBQEIBHRSB-UHFFFAOYSA-N 0 1 295.180 3.115 20 10 CGCDMN CC(C)CO[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000770329805 627613869 /nfs/dbraw/zinc/61/38/69/627613869.db2.gz SNWDPKNHFKBOLP-HNNXBMFYSA-N 0 1 294.414 3.139 20 10 CGCDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774842475 628036594 /nfs/dbraw/zinc/03/65/94/628036594.db2.gz WIFPWMHPZHPYTH-JTQLQIEISA-N 0 1 296.367 3.175 20 10 CGCDMN CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1O ZINC000775203285 628071776 /nfs/dbraw/zinc/07/17/76/628071776.db2.gz DWBXUKFWEKGJGP-UHFFFAOYSA-N 0 1 273.380 3.045 20 10 CGCDMN COCc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775363229 628086447 /nfs/dbraw/zinc/08/64/47/628086447.db2.gz LTBUQTQOLMNEGD-CYBMUJFWSA-N 0 1 288.391 3.343 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](O)CC(C)C)c1cc(Cl)ccc1[O-] ZINC000775498252 628101190 /nfs/dbraw/zinc/10/11/90/628101190.db2.gz ZNSDACMJUQAJMU-JSGCOSHPSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775513669 628102483 /nfs/dbraw/zinc/10/24/83/628102483.db2.gz RSKFEPDQYRCNMJ-IUODEOHRSA-N 0 1 296.842 3.428 20 10 CGCDMN Cc1cc(CN(C)Cc2cc(Cl)cc(F)c2O)no1 ZINC000775654329 628119972 /nfs/dbraw/zinc/11/99/72/628119972.db2.gz YVEBSCKBDQUUOS-UHFFFAOYSA-N 0 1 284.718 3.113 20 10 CGCDMN C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000785988325 628906026 /nfs/dbraw/zinc/90/60/26/628906026.db2.gz LDHGCYRJTZTLAG-SUNKGSAMSA-N 0 1 283.799 3.027 20 10 CGCDMN C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000785988325 628906029 /nfs/dbraw/zinc/90/60/29/628906029.db2.gz LDHGCYRJTZTLAG-SUNKGSAMSA-N 0 1 283.799 3.027 20 10 CGCDMN CCCc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000789943621 629175714 /nfs/dbraw/zinc/17/57/14/629175714.db2.gz AJNPNUWJDUMBJQ-UHFFFAOYSA-N 0 1 289.306 3.442 20 10 CGCDMN Cc1ncc(CN(Cc2ccc(N(C)C)cc2)C(C)C)o1 ZINC000862221878 629325420 /nfs/dbraw/zinc/32/54/20/629325420.db2.gz JBGFTWCSZKFEEO-UHFFFAOYSA-N 0 1 287.407 3.460 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792156423 629341480 /nfs/dbraw/zinc/34/14/80/629341480.db2.gz DPKNQGNCANXXOP-SECBINFHSA-N 0 1 257.736 3.417 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]1C ZINC000792171098 629343580 /nfs/dbraw/zinc/34/35/80/629343580.db2.gz YCYTUOKUXQFPCZ-RKDXNWHRSA-N 0 1 257.736 3.415 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000862529485 629391148 /nfs/dbraw/zinc/39/11/48/629391148.db2.gz LXEZBYYTVUEJCH-UHFFFAOYSA-N 0 1 289.762 3.310 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC1CC1 ZINC000125638843 634741754 /nfs/dbraw/zinc/74/17/54/634741754.db2.gz TWYUPQHTAVKETL-UHFFFAOYSA-N 0 1 284.743 3.186 20 10 CGCDMN CCCc1nc(C)c(CN(C)Cc2ccccc2O)o1 ZINC000794411776 629540928 /nfs/dbraw/zinc/54/09/28/629540928.db2.gz NJLYHQPSQIJSKR-UHFFFAOYSA-N 0 1 274.364 3.273 20 10 CGCDMN Oc1cc2c(cc1CN1C[C@@]3(CCCO3)[C@H]1C1CC1)CCC2 ZINC000840094693 630591086 /nfs/dbraw/zinc/59/10/86/630591086.db2.gz MOXCTPACBLZVAD-MOPGFXCFSA-N 0 1 299.414 3.024 20 10 CGCDMN CCN(C)c1ccc(CN2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000815104800 631717832 /nfs/dbraw/zinc/71/78/32/631717832.db2.gz VLDSPDWKFRIYAH-QGZVFWFLSA-N 0 1 284.407 3.203 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@@H]1C ZINC000816519992 632003212 /nfs/dbraw/zinc/00/32/12/632003212.db2.gz CBKIAPARQRZDEF-RKDXNWHRSA-N 0 1 257.736 3.415 20 10 CGCDMN CC(C)[C@H](CCO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816554126 632009982 /nfs/dbraw/zinc/00/99/82/632009982.db2.gz PJRBIQWOSDFSGP-INIZCTEOSA-N 0 1 273.376 3.042 20 10 CGCDMN C[C@@H](CO)CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559812 632013245 /nfs/dbraw/zinc/01/32/45/632013245.db2.gz WBLNPTGSRRCOMC-CYBMUJFWSA-N 0 1 273.376 3.044 20 10 CGCDMN CC(C)[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816564770 632013343 /nfs/dbraw/zinc/01/33/43/632013343.db2.gz PJTUHRGEYQFOAY-QGZVFWFLSA-N 0 1 285.387 3.402 20 10 CGCDMN CC(C)[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816564770 632013348 /nfs/dbraw/zinc/01/33/48/632013348.db2.gz PJTUHRGEYQFOAY-QGZVFWFLSA-N 0 1 285.387 3.402 20 10 CGCDMN CC[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000817414595 632144829 /nfs/dbraw/zinc/14/48/29/632144829.db2.gz HZEZVSZKTCTXLJ-GHMZBOCLSA-N 0 1 269.772 3.093 20 10 CGCDMN C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942152 632240392 /nfs/dbraw/zinc/24/03/92/632240392.db2.gz XMEFISKATSTVIL-BDAKNGLRSA-N 0 1 289.206 3.102 20 10 CGCDMN CCCNCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817962022 632257589 /nfs/dbraw/zinc/25/75/89/632257589.db2.gz GOMSFJBMGLBAIR-VIFPVBQESA-N 0 1 291.222 3.349 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](C)N)c1cc(Cl)cc(Cl)c1[O-] ZINC000817971980 632266430 /nfs/dbraw/zinc/26/64/30/632266430.db2.gz IORKTPNSVUEKCU-CPCISQLKSA-N 0 1 277.195 3.087 20 10 CGCDMN Oc1ccc(F)cc1CN[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000822497949 632948428 /nfs/dbraw/zinc/94/84/28/632948428.db2.gz PFPBRGVJQXUIJF-HZPDHXFCSA-N 0 1 275.298 3.258 20 10 CGCDMN CN(C)c1ccc(/C=C/CN2CC(CC(F)F)C2)cc1 ZINC000822520620 632958480 /nfs/dbraw/zinc/95/84/80/632958480.db2.gz JENFBIVIGACZDW-ONEGZZNKSA-N 0 1 280.362 3.353 20 10 CGCDMN CCN(C)c1ccc(CN2C[C@@H](C)OCC23CCC3)cc1 ZINC000844420992 635896627 /nfs/dbraw/zinc/89/66/27/635896627.db2.gz FLYALFOPUDKVCP-OAHLLOKOSA-N 0 1 288.435 3.286 20 10 CGCDMN C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cc(F)ccc1[O-] ZINC000866529866 633174265 /nfs/dbraw/zinc/17/42/65/633174265.db2.gz SYTHTLCSUHMSON-CHWSQXEVSA-N 0 1 293.382 3.389 20 10 CGCDMN CCOc1ccc(CN2CCC[C@](C)(F)C2)c(O)c1 ZINC000824472885 633248828 /nfs/dbraw/zinc/24/88/28/633248828.db2.gz ZZIVSNVRYXBPQN-HNNXBMFYSA-N 0 1 267.344 3.115 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@@H]1CCCO1 ZINC000824609991 633264550 /nfs/dbraw/zinc/26/45/50/633264550.db2.gz FTPPWESAEWVZPX-ZDUSSCGKSA-N 0 1 283.799 3.355 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@@H]1CCCO1 ZINC000824609991 633264552 /nfs/dbraw/zinc/26/45/52/633264552.db2.gz FTPPWESAEWVZPX-ZDUSSCGKSA-N 0 1 283.799 3.355 20 10 CGCDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc2ccccc2c1O ZINC000824636976 633266088 /nfs/dbraw/zinc/26/60/88/633266088.db2.gz VUTIRVJUMARUGD-WBVHZDCISA-N 0 1 285.387 3.138 20 10 CGCDMN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000824636976 633266108 /nfs/dbraw/zinc/26/61/08/633266108.db2.gz VUTIRVJUMARUGD-WBVHZDCISA-N 0 1 285.387 3.138 20 10 CGCDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000824636976 633266112 /nfs/dbraw/zinc/26/61/12/633266112.db2.gz VUTIRVJUMARUGD-WBVHZDCISA-N 0 1 285.387 3.138 20 10 CGCDMN CS[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000824683486 633272228 /nfs/dbraw/zinc/27/22/28/633272228.db2.gz LNRYXJFEKVSSKG-CQSZACIVSA-N 0 1 273.401 3.483 20 10 CGCDMN CS[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000824683486 633272233 /nfs/dbraw/zinc/27/22/33/633272233.db2.gz LNRYXJFEKVSSKG-CQSZACIVSA-N 0 1 273.401 3.483 20 10 CGCDMN CS[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000824683768 633273535 /nfs/dbraw/zinc/27/35/35/633273535.db2.gz UYQJILIPSJYXEE-JTQLQIEISA-N 0 1 275.776 3.122 20 10 CGCDMN COCC1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824715203 633278837 /nfs/dbraw/zinc/27/88/37/633278837.db2.gz XVDXVSPMCQFJRJ-UHFFFAOYSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cc(O)c(CN[C@@H]2C[C@@H](C)n3ccnc32)cc1C ZINC000825017396 633318572 /nfs/dbraw/zinc/31/85/72/633318572.db2.gz QDKFIGUZGROIOY-TZMCWYRMSA-N 0 1 271.364 3.001 20 10 CGCDMN CO[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])C(F)(F)F ZINC000825253953 633339952 /nfs/dbraw/zinc/33/99/52/633339952.db2.gz KQDVQEQGPOFADV-NSHDSACASA-N 0 1 297.704 3.021 20 10 CGCDMN COC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])C(C)C ZINC000825286311 633342778 /nfs/dbraw/zinc/34/27/78/633342778.db2.gz DQRVISWZXHFJDW-ZDUSSCGKSA-N 0 1 271.788 3.115 20 10 CGCDMN COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000825321220 633345040 /nfs/dbraw/zinc/34/50/40/633345040.db2.gz AJGGZGKFRVEJMZ-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000825321220 633345044 /nfs/dbraw/zinc/34/50/44/633345044.db2.gz AJGGZGKFRVEJMZ-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000825321220 633345047 /nfs/dbraw/zinc/34/50/47/633345047.db2.gz AJGGZGKFRVEJMZ-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825501489 633358803 /nfs/dbraw/zinc/35/88/03/633358803.db2.gz QBKYUAZNNPRZKH-QWRGUYRKSA-N 0 1 299.798 3.031 20 10 CGCDMN CCOC(C)(C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825628789 633368285 /nfs/dbraw/zinc/36/82/85/633368285.db2.gz IUBDEBSXSHHILP-UHFFFAOYSA-N 0 1 271.788 3.259 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCSC2)cc1Cl ZINC000825731621 633378298 /nfs/dbraw/zinc/37/82/98/633378298.db2.gz JNTXUUGRNYZDMN-JTQLQIEISA-N 0 1 271.813 3.197 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CSC[C@@H]2C)cc1Cl ZINC000825886472 633386302 /nfs/dbraw/zinc/38/63/02/633386302.db2.gz PKGFXNZVUFJBFS-JOYOIKCWSA-N 0 1 271.813 3.195 20 10 CGCDMN CCC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825944121 633390818 /nfs/dbraw/zinc/39/08/18/633390818.db2.gz QTHOBQZZPAWNOE-INIZCTEOSA-N 0 1 297.826 3.339 20 10 CGCDMN CCC[C@]1(CO)CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825944121 633390821 /nfs/dbraw/zinc/39/08/21/633390821.db2.gz QTHOBQZZPAWNOE-INIZCTEOSA-N 0 1 297.826 3.339 20 10 CGCDMN CCC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825944121 633390826 /nfs/dbraw/zinc/39/08/26/633390826.db2.gz QTHOBQZZPAWNOE-INIZCTEOSA-N 0 1 297.826 3.339 20 10 CGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])CC1=CCCOC1 ZINC000827189778 633469555 /nfs/dbraw/zinc/46/95/55/633469555.db2.gz NYMZYVDBLKZOIY-UHFFFAOYSA-N 0 1 283.371 3.324 20 10 CGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])CC1=CCCOC1 ZINC000827189778 633469558 /nfs/dbraw/zinc/46/95/58/633469558.db2.gz NYMZYVDBLKZOIY-UHFFFAOYSA-N 0 1 283.371 3.324 20 10 CGCDMN COc1ccc2c(c1)CC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC000827295998 633479998 /nfs/dbraw/zinc/47/99/98/633479998.db2.gz AILIGLQXNXGSKS-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506243 633495502 /nfs/dbraw/zinc/49/55/02/633495502.db2.gz FKGIWYLDKGIQRW-IUCAKERBSA-N 0 1 255.720 3.027 20 10 CGCDMN C[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccc(N(C)C)cc1 ZINC000834769409 634239186 /nfs/dbraw/zinc/23/91/86/634239186.db2.gz MSYSNWLLABRYEX-XEZPLFJOSA-N 0 1 284.407 3.306 20 10 CGCDMN CC[C@@H]([NH2+][C@H]1CCn2ccnc21)c1cc(Cl)ccc1[O-] ZINC000834833420 634251472 /nfs/dbraw/zinc/25/14/72/634251472.db2.gz ZPUSWOHBCZGRGD-OLZOCXBDSA-N 0 1 291.782 3.428 20 10 CGCDMN CC[C@@H](N[C@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834833420 634251494 /nfs/dbraw/zinc/25/14/94/634251494.db2.gz ZPUSWOHBCZGRGD-OLZOCXBDSA-N 0 1 291.782 3.428 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](C)CCCO)c1cc(Cl)ccc1[O-] ZINC000834870820 634260140 /nfs/dbraw/zinc/26/01/40/634260140.db2.gz KPLNBQTZYLJHRZ-RISCZKNCSA-N 0 1 285.815 3.495 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)CCCO)c1[O-] ZINC000834870915 634260997 /nfs/dbraw/zinc/26/09/97/634260997.db2.gz LNXPWHMWAUWARC-PWSUYJOCSA-N 0 1 285.815 3.413 20 10 CGCDMN CC[C@@H]([NH2+]CCC1(CO)CC1)c1cc(Cl)ccc1[O-] ZINC000834897901 634274326 /nfs/dbraw/zinc/27/43/26/634274326.db2.gz WZXSSZJTVZHRPU-CYBMUJFWSA-N 0 1 283.799 3.249 20 10 CGCDMN CCc1ncc(CN[C@H](C)c2ccc(C)cc2O)o1 ZINC000834900984 634277890 /nfs/dbraw/zinc/27/78/90/634277890.db2.gz VKQYMPGUUZBIRG-LLVKDONJSA-N 0 1 260.337 3.102 20 10 CGCDMN CC[C@H](NCc1ncccc1OC)c1ccc(C)cc1O ZINC000834905007 634281068 /nfs/dbraw/zinc/28/10/68/634281068.db2.gz DSPUCACGVIEWMB-AWEZNQCLSA-N 0 1 286.375 3.345 20 10 CGCDMN CN(C)c1ccc(/C=C/CN(C)Cc2cccn2C)cc1 ZINC000835026011 634324094 /nfs/dbraw/zinc/32/40/94/634324094.db2.gz NRFXPHVMAAOXEZ-FNORWQNLSA-N 0 1 283.419 3.236 20 10 CGCDMN C[C@@H]1C[C@H](NC/C=C/c2ccc(N(C)C)cc2)c2nccn21 ZINC000835055086 634339229 /nfs/dbraw/zinc/33/92/29/634339229.db2.gz QNJXJVOJFCMIQG-ROHVMALMSA-N 0 1 296.418 3.258 20 10 CGCDMN COC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000019904579 634368238 /nfs/dbraw/zinc/36/82/38/634368238.db2.gz SSHREZKKSXEWIS-NEPJUHHUSA-N 0 1 259.349 3.231 20 10 CGCDMN C[C@@H](C1CC1)n1nccc1NCc1ccc(F)c(F)c1O ZINC000877005372 634947493 /nfs/dbraw/zinc/94/74/93/634947493.db2.gz DLDMXSFMTFIWIG-VIFPVBQESA-N 0 1 293.317 3.450 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)ccc(F)c1F ZINC000877425519 635038366 /nfs/dbraw/zinc/03/83/66/635038366.db2.gz CLWWPCSLFWYVPV-CYBMUJFWSA-N 0 1 297.345 3.061 20 10 CGCDMN Cc1cccc(O)c1C[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000877519170 635068016 /nfs/dbraw/zinc/06/80/16/635068016.db2.gz XGGURLGFMNBOCQ-LSDHHAIUSA-N 0 1 277.408 3.216 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H](C)C2)c(Cl)c1 ZINC000840908877 635079892 /nfs/dbraw/zinc/07/98/92/635079892.db2.gz YPMPVXQWZHSTLX-QWRGUYRKSA-N 0 1 269.772 3.011 20 10 CGCDMN CC[N@@H+](Cc1c([O-])cc(C)cc1Cl)C[C@@H]1CCCO1 ZINC000840911585 635081847 /nfs/dbraw/zinc/08/18/47/635081847.db2.gz IOJABFITARABIY-LBPRGKRZSA-N 0 1 283.799 3.355 20 10 CGCDMN CC[N@H+](Cc1c([O-])cc(C)cc1Cl)C[C@@H]1CCCO1 ZINC000840911585 635081850 /nfs/dbraw/zinc/08/18/50/635081850.db2.gz IOJABFITARABIY-LBPRGKRZSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c(Cl)c1 ZINC000840919353 635082479 /nfs/dbraw/zinc/08/24/79/635082479.db2.gz CSBIPMAQIZSZBI-DOMZBBRYSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c(Cl)c1 ZINC000840919353 635082481 /nfs/dbraw/zinc/08/24/81/635082481.db2.gz CSBIPMAQIZSZBI-DOMZBBRYSA-N 0 1 295.810 3.355 20 10 CGCDMN CO[C@@]1(C)CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840940779 635086693 /nfs/dbraw/zinc/08/66/93/635086693.db2.gz FKCLWTVXDFQXLO-HNNXBMFYSA-N 0 1 283.799 3.355 20 10 CGCDMN CO[C@@]1(C)CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840940779 635086698 /nfs/dbraw/zinc/08/66/98/635086698.db2.gz FKCLWTVXDFQXLO-HNNXBMFYSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000840940367 635087390 /nfs/dbraw/zinc/08/73/90/635087390.db2.gz ZISXSZVCQGPBNT-INIZCTEOSA-N 0 1 284.407 3.121 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000840943312 635088330 /nfs/dbraw/zinc/08/83/30/635088330.db2.gz LHDZKXHGKQNEAM-GDBMZVCRSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000840943312 635088332 /nfs/dbraw/zinc/08/83/32/635088332.db2.gz LHDZKXHGKQNEAM-GDBMZVCRSA-N 0 1 295.810 3.497 20 10 CGCDMN CCC[C@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)OC ZINC000840949840 635090246 /nfs/dbraw/zinc/09/02/46/635090246.db2.gz BAMATRWVUMQFME-LLVKDONJSA-N 0 1 271.788 3.259 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C[C@H]1C ZINC000840949938 635091489 /nfs/dbraw/zinc/09/14/89/635091489.db2.gz DGWOXCISJHQZDJ-IAQYHMDHSA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C[C@H]1C ZINC000840949938 635091493 /nfs/dbraw/zinc/09/14/93/635091493.db2.gz DGWOXCISJHQZDJ-IAQYHMDHSA-N 0 1 283.799 3.211 20 10 CGCDMN CCO[C@H]1C[C@@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840953328 635092237 /nfs/dbraw/zinc/09/22/37/635092237.db2.gz QATJPJTVSCPJSD-PHIMTYICSA-N 0 1 269.772 3.011 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@H](C2CCC2)C1 ZINC000840954117 635092264 /nfs/dbraw/zinc/09/22/64/635092264.db2.gz GKLTUEKURQIRKR-HNNXBMFYSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@]3(CCSC3)C2)ccc(F)c1F ZINC000877575028 635099450 /nfs/dbraw/zinc/09/94/50/635099450.db2.gz DCDFJLDZVBEDRK-HNNXBMFYSA-N 0 1 299.386 3.390 20 10 CGCDMN COc1ccc(C)cc1CN1Cc2cccc(O)c2C1 ZINC000877704184 635155417 /nfs/dbraw/zinc/15/54/17/635155417.db2.gz ZMYBGFSDQXLMON-UHFFFAOYSA-N 0 1 269.344 3.225 20 10 CGCDMN COC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(C)C ZINC000841755794 635230147 /nfs/dbraw/zinc/23/01/47/635230147.db2.gz SAHMTQKRIWVUEE-GWCFXTLKSA-N 0 1 271.788 3.367 20 10 CGCDMN CCc1ncc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841758622 635231743 /nfs/dbraw/zinc/23/17/43/635231743.db2.gz UDVVSVLUNGBKGG-SECBINFHSA-N 0 1 280.755 3.447 20 10 CGCDMN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758340 635232007 /nfs/dbraw/zinc/23/20/07/635232007.db2.gz GSVZJOXLTTUXHR-BHDSKKPTSA-N 0 1 271.788 3.103 20 10 CGCDMN CCn1cncc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841833215 635242564 /nfs/dbraw/zinc/24/25/64/635242564.db2.gz UMGQACAYMJVMOW-UHFFFAOYSA-N 0 1 298.434 3.134 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1COCc2ccccc21 ZINC000841891444 635249377 /nfs/dbraw/zinc/24/93/77/635249377.db2.gz PTVDEGKPTUEQQV-OAHLLOKOSA-N 0 1 289.762 3.407 20 10 CGCDMN Oc1cccc(Cl)c1CN[C@@H]1COCc2ccccc21 ZINC000841891444 635249380 /nfs/dbraw/zinc/24/93/80/635249380.db2.gz PTVDEGKPTUEQQV-OAHLLOKOSA-N 0 1 289.762 3.407 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[NH+]1CC2(CC2(F)F)C1 ZINC000848922454 636692416 /nfs/dbraw/zinc/69/24/16/636692416.db2.gz SWTCUXDOUHXJKX-UHFFFAOYSA-N 0 1 277.673 3.026 20 10 CGCDMN COCC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000848923947 636695991 /nfs/dbraw/zinc/69/59/91/636695991.db2.gz TUWGGAICULRRJX-UHFFFAOYSA-N 0 1 271.360 3.062 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2CCC3(COC3)CC2)c(Cl)c1 ZINC000883387901 636728941 /nfs/dbraw/zinc/72/89/41/636728941.db2.gz HUSKFCPJPNLJFD-UHFFFAOYSA-N 0 1 295.810 3.403 20 10 CGCDMN CC[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132518018 636814728 /nfs/dbraw/zinc/81/47/28/636814728.db2.gz HRAKQKFOFWIOBO-SECBINFHSA-N 0 1 272.186 3.385 20 10 CGCDMN CC[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132518018 636814731 /nfs/dbraw/zinc/81/47/31/636814731.db2.gz HRAKQKFOFWIOBO-SECBINFHSA-N 0 1 272.186 3.385 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]CC2CCC(O)CC2)c2c1c(F)ccc2[O-] ZINC000850555130 637120670 /nfs/dbraw/zinc/12/06/70/637120670.db2.gz MEZSRTKWZJNVGU-NPZBDFSRSA-N 0 1 293.382 3.220 20 10 CGCDMN C[C@H]([NH2+]CC1CCC(O)CC1)c1cc(Cl)ccc1[O-] ZINC000850556934 637121578 /nfs/dbraw/zinc/12/15/78/637121578.db2.gz ULGQHUVDMJLAQG-ZBOXLXRLSA-N 0 1 283.799 3.247 20 10 CGCDMN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2nccn2C)cc1 ZINC000850572961 637129926 /nfs/dbraw/zinc/12/99/26/637129926.db2.gz RJOTZDLAUGGXIU-KBPBESRZSA-N 0 1 286.423 3.288 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886289432 637486308 /nfs/dbraw/zinc/48/63/08/637486308.db2.gz VMOHPROOVGPBCT-CYBMUJFWSA-N 0 1 281.783 3.094 20 10 CGCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccnn1C1CCC1 ZINC000924900780 638422511 /nfs/dbraw/zinc/42/25/11/638422511.db2.gz PAQCTHFYWGDOKH-ZDUSSCGKSA-N 0 1 297.402 3.394 20 10 CGCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1cnn(C2CCC2)c1 ZINC000924902423 638423029 /nfs/dbraw/zinc/42/30/29/638423029.db2.gz ZJMKYKUCGLTYLA-CYBMUJFWSA-N 0 1 297.402 3.394 20 10 CGCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)c1ncco1 ZINC000926594427 638789279 /nfs/dbraw/zinc/78/92/79/638789279.db2.gz BPTARJZFFRYIPC-KGLIPLIRSA-N 0 1 287.407 3.331 20 10 CGCDMN CN(Cc1cnc(C2CC2)s1)Cc1ccccc1O ZINC000091974648 640728555 /nfs/dbraw/zinc/72/85/55/640728555.db2.gz CRJWLUZAAQAKEQ-UHFFFAOYSA-N 0 1 274.389 3.358 20 10 CGCDMN COc1cccc(C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)c1O ZINC000253089603 640871355 /nfs/dbraw/zinc/87/13/55/640871355.db2.gz CZVWNIIBPMGVNP-FRRDWIJNSA-N 0 1 263.381 3.267 20 10 CGCDMN CCOc1ccnc(NCc2c(C)cc(C)cc2O)c1 ZINC001160810139 806305536 /nfs/dbraw/zinc/30/55/36/806305536.db2.gz KBXCHGYYXRKFHP-UHFFFAOYSA-N 0 1 272.348 3.415 20 10 CGCDMN [O-]c1cc2ccccc2cc1C[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254846978 806497167 /nfs/dbraw/zinc/49/71/67/806497167.db2.gz ZGANHLJAUJTDRC-GOSISDBHSA-N 0 1 296.414 3.119 20 10 CGCDMN [O-]c1cc2ccccc2cc1C[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254846979 806497604 /nfs/dbraw/zinc/49/76/04/806497604.db2.gz ZGANHLJAUJTDRC-SFHVURJKSA-N 0 1 296.414 3.119 20 10 CGCDMN CCC[C@@H](C)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037328804 798866986 /nfs/dbraw/zinc/86/69/86/798866986.db2.gz DNNWEUMHDKGFAS-SNVBAGLBSA-N 0 1 267.344 3.354 20 10 CGCDMN CC(C)[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CCCO1 ZINC000381146705 799373463 /nfs/dbraw/zinc/37/34/63/799373463.db2.gz RORKTNLUNAFVLK-HNNXBMFYSA-N 0 1 283.799 3.293 20 10 CGCDMN CC(C)[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CCCO1 ZINC000381146705 799373470 /nfs/dbraw/zinc/37/34/70/799373470.db2.gz RORKTNLUNAFVLK-HNNXBMFYSA-N 0 1 283.799 3.293 20 10 CGCDMN CS[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000394998328 799501553 /nfs/dbraw/zinc/50/15/53/799501553.db2.gz ILCRLPBFIYMVSK-GFCCVEGCSA-N 0 1 299.823 3.186 20 10 CGCDMN CS[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000394998328 799501559 /nfs/dbraw/zinc/50/15/59/799501559.db2.gz ILCRLPBFIYMVSK-GFCCVEGCSA-N 0 1 299.823 3.186 20 10 CGCDMN CC[C@H]1COC(C)(C)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000403811913 799572062 /nfs/dbraw/zinc/57/20/62/799572062.db2.gz JWRYRMKVJCOPBO-LBPRGKRZSA-N 0 1 283.799 3.435 20 10 CGCDMN CC1([NH2+]Cc2ccc(Br)cc2[O-])CCC1 ZINC000691395511 799783487 /nfs/dbraw/zinc/78/34/87/799783487.db2.gz MSGHMNVETLFJCB-UHFFFAOYSA-N 0 1 270.170 3.187 20 10 CGCDMN CC(C)OC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000695088352 799825570 /nfs/dbraw/zinc/82/55/70/799825570.db2.gz ANWHIWGVKYAOFR-UHFFFAOYSA-N 0 1 283.799 3.435 20 10 CGCDMN C[C@H](N[C@@H]1CCc2cccc(O)c21)c1cscn1 ZINC000697819214 799849597 /nfs/dbraw/zinc/84/95/97/799849597.db2.gz JWJCAADJHZWCDQ-GXSJLCMTSA-N 0 1 260.362 3.187 20 10 CGCDMN CCCO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000701666419 799893210 /nfs/dbraw/zinc/89/32/10/799893210.db2.gz VNLPCEHMBKTQOE-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CCCO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000701666419 799893219 /nfs/dbraw/zinc/89/32/19/799893219.db2.gz VNLPCEHMBKTQOE-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CCC1(C[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000706857783 799969497 /nfs/dbraw/zinc/96/94/97/799969497.db2.gz BBMXXRIZCRYYGD-UHFFFAOYSA-N 0 1 284.197 3.435 20 10 CGCDMN CCC(C)(C)[NH2+]Cc1c([O-])cccc1Br ZINC000706842416 799968055 /nfs/dbraw/zinc/96/80/55/799968055.db2.gz HYJHFOLRMCJYSY-UHFFFAOYSA-N 0 1 272.186 3.433 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCC12CC2 ZINC000706934545 799970203 /nfs/dbraw/zinc/97/02/03/799970203.db2.gz FORYSHUCXMIDDN-ZDUSSCGKSA-N 0 1 251.757 3.468 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](CF)C1 ZINC000711501449 800064708 /nfs/dbraw/zinc/06/47/08/800064708.db2.gz FRLGYDPTTCHJFR-QMMMGPOBSA-N 0 1 278.154 3.490 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000720494774 800259336 /nfs/dbraw/zinc/25/93/36/800259336.db2.gz JBXIIXPUWQTAQF-SECBINFHSA-N 0 1 290.190 3.310 20 10 CGCDMN Cc1nnsc1[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001119743556 802696475 /nfs/dbraw/zinc/69/64/75/802696475.db2.gz LSLMCFJOVNBWTI-WDEREUQCSA-N 0 1 290.436 3.324 20 10 CGCDMN Cc1nnsc1[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001119743553 802696611 /nfs/dbraw/zinc/69/66/11/802696611.db2.gz LSLMCFJOVNBWTI-GHMZBOCLSA-N 0 1 290.436 3.324 20 10 CGCDMN CCOc1ncc(-c2nccc3c2ccn3C)cc1C ZINC001244680534 803491493 /nfs/dbraw/zinc/49/14/93/803491493.db2.gz RAZVQDAHXAMTTP-UHFFFAOYSA-N 0 1 267.332 3.342 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2F)CCC1(F)F ZINC001137832020 803777705 /nfs/dbraw/zinc/77/77/05/803777705.db2.gz XCPXPUWKKWAZPN-SNVBAGLBSA-N 0 1 273.298 3.399 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001137832687 803777737 /nfs/dbraw/zinc/77/77/37/803777737.db2.gz DIWNPWIVJPBXHM-LBPRGKRZSA-N 0 1 295.251 3.255 20 10 CGCDMN C[N@@H+](CCc1ccccc1)Cc1c([O-])cccc1F ZINC001137831518 803778851 /nfs/dbraw/zinc/77/88/51/803778851.db2.gz CGTIAKFPVGZVGU-UHFFFAOYSA-N 0 1 259.324 3.206 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC12CCCC2 ZINC001139680727 804249138 /nfs/dbraw/zinc/24/91/38/804249138.db2.gz ARVZQEVVRJZAJO-UHFFFAOYSA-N 0 1 253.292 3.189 20 10 CGCDMN CC(C)[N@H+](Cc1c(F)ccc(F)c1[O-])CC1CC1 ZINC001139682907 804251430 /nfs/dbraw/zinc/25/14/30/804251430.db2.gz FDCPIKRJEVCAIG-UHFFFAOYSA-N 0 1 255.308 3.291 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001140101610 804376528 /nfs/dbraw/zinc/37/65/28/804376528.db2.gz YZHKUBFKZHPXEZ-VHSXEESVSA-N 0 1 282.181 3.139 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001140101610 804376538 /nfs/dbraw/zinc/37/65/38/804376538.db2.gz YZHKUBFKZHPXEZ-VHSXEESVSA-N 0 1 282.181 3.139 20 10 CGCDMN Oc1cccc(Br)c1CN1CC2(CCC2)C1 ZINC001140100213 804376844 /nfs/dbraw/zinc/37/68/44/804376844.db2.gz GQZMNGCKCXXAAK-UHFFFAOYSA-N 0 1 282.181 3.141 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001140344962 804420057 /nfs/dbraw/zinc/42/00/57/804420057.db2.gz OHGNJKVINADKMD-CYBMUJFWSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001140344962 804420060 /nfs/dbraw/zinc/42/00/60/804420060.db2.gz OHGNJKVINADKMD-CYBMUJFWSA-N 0 1 288.778 3.430 20 10 CGCDMN C[N@@H+](Cc1ccccn1)Cc1ccc(Cl)cc1O ZINC001140461209 804441012 /nfs/dbraw/zinc/44/10/12/804441012.db2.gz HDSRLPSBGRCBKS-UHFFFAOYSA-N 0 1 262.740 3.073 20 10 CGCDMN C[N@H+](Cc1ccccn1)Cc1ccc(Cl)cc1[O-] ZINC001140461209 804441015 /nfs/dbraw/zinc/44/10/15/804441015.db2.gz HDSRLPSBGRCBKS-UHFFFAOYSA-N 0 1 262.740 3.073 20 10 CGCDMN C[N@@H+](Cc1ccccn1)Cc1ccc(Cl)cc1[O-] ZINC001140461209 804441018 /nfs/dbraw/zinc/44/10/18/804441018.db2.gz HDSRLPSBGRCBKS-UHFFFAOYSA-N 0 1 262.740 3.073 20 10 CGCDMN CC1(C)C[N@@H+](Cc2ccc(Cl)cc2O)[C@@](C)(CO)C1 ZINC001140462276 804441178 /nfs/dbraw/zinc/44/11/78/804441178.db2.gz DCZKIKSUTSLGDF-OAHLLOKOSA-N 0 1 283.799 3.029 20 10 CGCDMN CC1(C)C[N@H+](Cc2ccc(Cl)cc2[O-])[C@@](C)(CO)C1 ZINC001140462276 804441179 /nfs/dbraw/zinc/44/11/79/804441179.db2.gz DCZKIKSUTSLGDF-OAHLLOKOSA-N 0 1 283.799 3.029 20 10 CGCDMN CC1(C)C[N@@H+](Cc2ccc(Cl)cc2[O-])[C@@](C)(CO)C1 ZINC001140462276 804441181 /nfs/dbraw/zinc/44/11/81/804441181.db2.gz DCZKIKSUTSLGDF-OAHLLOKOSA-N 0 1 283.799 3.029 20 10 CGCDMN COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466266 804443103 /nfs/dbraw/zinc/44/31/03/804443103.db2.gz DLMXASVCYVCOSD-CQSZACIVSA-N 0 1 283.799 3.435 20 10 CGCDMN COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466266 804443106 /nfs/dbraw/zinc/44/31/06/804443106.db2.gz DLMXASVCYVCOSD-CQSZACIVSA-N 0 1 283.799 3.435 20 10 CGCDMN CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2C(=O)[O-])cc1 ZINC001140502941 804448291 /nfs/dbraw/zinc/44/82/91/804448291.db2.gz IBKHZCKEGGITBZ-UHFFFAOYSA-N 0 1 298.386 3.083 20 10 CGCDMN CN1CCC[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256956855 807014930 /nfs/dbraw/zinc/01/49/30/807014930.db2.gz ANDUWMFTQFSXQH-HNNXBMFYSA-N 0 1 294.358 3.294 20 10 CGCDMN CN(C)c1ccc(CN2CCC[C@]3(CCO3)C2)c(Cl)c1 ZINC001140926046 804550832 /nfs/dbraw/zinc/55/08/32/804550832.db2.gz YGOBXGFANQRLCM-INIZCTEOSA-N 0 1 294.826 3.161 20 10 CGCDMN CCC[N@H+](Cc1ccc(C)cc1[O-])C1CCOCC1 ZINC001140957619 804558296 /nfs/dbraw/zinc/55/82/96/804558296.db2.gz FKQXGXBNFGASBE-UHFFFAOYSA-N 0 1 263.381 3.092 20 10 CGCDMN CCC[N@@H+](Cc1ccc(C)cc1[O-])C1CCOCC1 ZINC001140957619 804558303 /nfs/dbraw/zinc/55/83/03/804558303.db2.gz FKQXGXBNFGASBE-UHFFFAOYSA-N 0 1 263.381 3.092 20 10 CGCDMN C[N@@H+](CCOc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001142520169 804730390 /nfs/dbraw/zinc/73/03/90/804730390.db2.gz CLLQQTIDFYJVLO-UHFFFAOYSA-N 0 1 293.313 3.181 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])C2(CC2)C1 ZINC001142526976 804731624 /nfs/dbraw/zinc/73/16/24/804731624.db2.gz DOKZHXQOBOBSAQ-VIFPVBQESA-N 0 1 253.292 3.045 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])[C@H]1C ZINC001142521042 804731653 /nfs/dbraw/zinc/73/16/53/804731653.db2.gz VFEPNVKNDXJPKT-UWVGGRQHSA-N 0 1 255.308 3.291 20 10 CGCDMN CCc1nc([C@H](C)NCc2c(C)c3ccccc3n2C)n[nH]1 ZINC001201813949 811967817 /nfs/dbraw/zinc/96/78/17/811967817.db2.gz HHOIYOOXFFECLX-LBPRGKRZSA-N 0 1 297.406 3.018 20 10 CGCDMN CC(=O)c1ccc2c(c1)CN(Cc1ccccc1O)CC2 ZINC001203558630 812393034 /nfs/dbraw/zinc/39/30/34/812393034.db2.gz QVNIAKRKVAJGCQ-UHFFFAOYSA-N 0 1 281.355 3.153 20 10 CGCDMN C[N@H+](CCc1cccnc1)Cc1cc(Cl)ccc1[O-] ZINC001203664175 812422072 /nfs/dbraw/zinc/42/20/72/812422072.db2.gz PRYYVWPRPZRHCH-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN C[N@@H+](CCc1cccnc1)Cc1cc(Cl)ccc1[O-] ZINC001203664175 812422076 /nfs/dbraw/zinc/42/20/76/812422076.db2.gz PRYYVWPRPZRHCH-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001203664432 812422484 /nfs/dbraw/zinc/42/24/84/812422484.db2.gz FEIOKXILRQLAME-CYBMUJFWSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001203664432 812422487 /nfs/dbraw/zinc/42/24/87/812422487.db2.gz FEIOKXILRQLAME-CYBMUJFWSA-N 0 1 295.810 3.294 20 10 CGCDMN CCN(CC)c1ccc(CN2CCC[C@H]2C(C)=O)cc1 ZINC001203943429 812498711 /nfs/dbraw/zinc/49/87/11/812498711.db2.gz AVUBNCALTRLFPI-KRWDZBQOSA-N 0 1 274.408 3.086 20 10 CGCDMN CC(C)N(CC(=O)c1ccccc1)Cc1ccc(O)cc1O ZINC001204280596 812594962 /nfs/dbraw/zinc/59/49/62/812594962.db2.gz LEBXPWCGCFKVST-UHFFFAOYSA-N 0 1 299.370 3.191 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1Cl ZINC001204615627 812691580 /nfs/dbraw/zinc/69/15/80/812691580.db2.gz KLOJWWXFVUOIJD-TXEJJXNPSA-N 0 1 265.784 3.442 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1Cl ZINC001204615627 812691582 /nfs/dbraw/zinc/69/15/82/812691582.db2.gz KLOJWWXFVUOIJD-TXEJJXNPSA-N 0 1 265.784 3.442 20 10 CGCDMN COc1cc(C)c(C[N@H+]2CCC[C@H]2C(C)C)c(O)c1 ZINC001204657473 812702154 /nfs/dbraw/zinc/70/21/54/812702154.db2.gz GHLUXYVFCBDXDN-HNNXBMFYSA-N 0 1 263.381 3.330 20 10 CGCDMN [NH3+][C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001205123924 812875911 /nfs/dbraw/zinc/87/59/11/812875911.db2.gz HIQLGNOKYONSJS-SNVBAGLBSA-N 0 1 289.206 3.012 20 10 CGCDMN CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231453963 818102863 /nfs/dbraw/zinc/10/28/63/818102863.db2.gz MPPDMACLRAGTMO-UHFFFAOYSA-N 0 1 299.370 3.421 20 10 CGCDMN CCC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231452346 818103161 /nfs/dbraw/zinc/10/31/61/818103161.db2.gz MNWRHOGIEWYOCU-AWEZNQCLSA-N 0 1 277.364 3.245 20 10 CGCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC001231563248 818124932 /nfs/dbraw/zinc/12/49/32/818124932.db2.gz GSFUVLZAUGYLNR-MRXNPFEDSA-N 0 1 297.354 3.428 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)[C@H]1CO ZINC001231588836 818130079 /nfs/dbraw/zinc/13/00/79/818130079.db2.gz VYRVHUDTJLSZBY-DYVFJYSZSA-N 0 1 285.387 3.138 20 10 CGCDMN CCc1ccc(CN(C)Cc2ccc(N(C)C)cc2)nc1 ZINC001231642477 818145105 /nfs/dbraw/zinc/14/51/05/818145105.db2.gz BSNKPBXZLCKTLI-UHFFFAOYSA-N 0 1 283.419 3.342 20 10 CGCDMN CCN(Cc1ccncc1)Cc1ccc(N(C)C)cc1OC ZINC001231849247 818188895 /nfs/dbraw/zinc/18/88/95/818188895.db2.gz QCGFVVIYXPHDOU-UHFFFAOYSA-N 0 1 299.418 3.178 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc1Cl ZINC001231867521 818191725 /nfs/dbraw/zinc/19/17/25/818191725.db2.gz NWHLCSAHUUFEEL-DETPVDSQSA-N 0 1 295.810 3.353 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc1Cl ZINC001231867521 818191729 /nfs/dbraw/zinc/19/17/29/818191729.db2.gz NWHLCSAHUUFEEL-DETPVDSQSA-N 0 1 295.810 3.353 20 10 CGCDMN C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879235 818198834 /nfs/dbraw/zinc/19/88/34/818198834.db2.gz AYEWPZQJWMSPBO-KGLIPLIRSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879235 818198836 /nfs/dbraw/zinc/19/88/36/818198836.db2.gz AYEWPZQJWMSPBO-KGLIPLIRSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@@H]1O ZINC001231879372 818199735 /nfs/dbraw/zinc/19/97/35/818199735.db2.gz CYPPANYXRFKGNU-DYVFJYSZSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@@H]1O ZINC001231879372 818199738 /nfs/dbraw/zinc/19/97/38/818199738.db2.gz CYPPANYXRFKGNU-DYVFJYSZSA-N 0 1 285.387 3.138 20 10 CGCDMN Cc1cc(CN(C)Cc2ccc3ccccc3c2O)n(C)n1 ZINC001231880688 818200519 /nfs/dbraw/zinc/20/05/19/818200519.db2.gz CRZRLILLYOECMU-UHFFFAOYSA-N 0 1 295.386 3.219 20 10 CGCDMN CCO[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231883721 818201999 /nfs/dbraw/zinc/20/19/99/818201999.db2.gz TUUBIDLFMQNJHA-OAHLLOKOSA-N 0 1 271.360 3.156 20 10 CGCDMN CCO[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231883721 818202002 /nfs/dbraw/zinc/20/20/02/818202002.db2.gz TUUBIDLFMQNJHA-OAHLLOKOSA-N 0 1 271.360 3.156 20 10 CGCDMN C[N@H+]1CCN(Cc2cccc(Cl)c2[O-])C2(CCCC2)C1 ZINC001231912986 818212448 /nfs/dbraw/zinc/21/24/48/818212448.db2.gz BZVHRPRKHUMENF-UHFFFAOYSA-N 0 1 294.826 3.106 20 10 CGCDMN CN1CC[N@H+](Cc2cccc(Cl)c2[O-])C2(CCCC2)C1 ZINC001231912986 818212454 /nfs/dbraw/zinc/21/24/54/818212454.db2.gz BZVHRPRKHUMENF-UHFFFAOYSA-N 0 1 294.826 3.106 20 10 CGCDMN CN1CC[N@@H+](Cc2cccc(Cl)c2[O-])C2(CCCC2)C1 ZINC001231912986 818212461 /nfs/dbraw/zinc/21/24/61/818212461.db2.gz BZVHRPRKHUMENF-UHFFFAOYSA-N 0 1 294.826 3.106 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CCC(C)(C)C2)cc1Cl ZINC001232264635 818297408 /nfs/dbraw/zinc/29/74/08/818297408.db2.gz LQPMDYFJPYNQKS-UHFFFAOYSA-N 0 1 269.772 3.286 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC(C)(C)C2)cc1Cl ZINC001232264635 818297415 /nfs/dbraw/zinc/29/74/15/818297415.db2.gz LQPMDYFJPYNQKS-UHFFFAOYSA-N 0 1 269.772 3.286 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC(C)(C)C2)cc1Cl ZINC001232264635 818297423 /nfs/dbraw/zinc/29/74/23/818297423.db2.gz LQPMDYFJPYNQKS-UHFFFAOYSA-N 0 1 269.772 3.286 20 10 CGCDMN Cc1cccc(F)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001232483448 818367273 /nfs/dbraw/zinc/36/72/73/818367273.db2.gz JJRJLTKQBBWISF-UHFFFAOYSA-N 0 1 271.335 3.398 20 10 CGCDMN Cc1ccccc1[C@H]1CCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233011746 818501432 /nfs/dbraw/zinc/50/14/32/818501432.db2.gz BZJKQHKNHKHKOJ-OAHLLOKOSA-N 0 1 299.370 3.449 20 10 CGCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001233331881 818582217 /nfs/dbraw/zinc/58/22/17/818582217.db2.gz ONWIQIAWAGZNCZ-NSHDSACASA-N 0 1 295.251 3.240 20 10 CGCDMN C[C@@H]1[C@@H]([NH3+])CCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001236417461 819463602 /nfs/dbraw/zinc/46/36/02/819463602.db2.gz DRTAZUJWDKPWGP-KCJUWKMLSA-N 0 1 289.206 3.011 20 10 CGCDMN COC[C@@H]1CC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236793187 819597936 /nfs/dbraw/zinc/59/79/36/819597936.db2.gz JANYGSBNILWGID-SECBINFHSA-N 0 1 290.190 3.167 20 10 CGCDMN Oc1cc2ccccc2cc1C[N@H+]1CCC[C@@H](F)C1 ZINC001236841433 819618495 /nfs/dbraw/zinc/61/84/95/819618495.db2.gz KCHGGNKJXBCVQX-OAHLLOKOSA-N 0 1 259.324 3.479 20 10 CGCDMN CC(C)c1ccc(C[N@H+]2CCC[C@@]23CCOC3)c(O)c1 ZINC001237048889 819652653 /nfs/dbraw/zinc/65/26/53/819652653.db2.gz JOLLCOHQDDJPJP-KRWDZBQOSA-N 0 1 275.392 3.271 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1CCC(F)CC1 ZINC001237119685 819671956 /nfs/dbraw/zinc/67/19/56/819671956.db2.gz DSFKDHDNBQJCLC-UHFFFAOYSA-N 0 1 261.699 3.119 20 10 CGCDMN c1ccc(N2CC=C(c3cccc4[nH]nnc43)CC2)cc1 ZINC001241355539 821757108 /nfs/dbraw/zinc/75/71/08/821757108.db2.gz USSGDIOVQXTLEV-UHFFFAOYSA-N 0 1 276.343 3.252 20 10 CGCDMN CC[C@H](F)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001358227765 937191558 /nfs/dbraw/zinc/19/15/58/937191558.db2.gz KZMVORIYTXOJAW-VIFPVBQESA-N 0 1 280.126 3.063 20 10 CGCDMN CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000399505272 928808099 /nfs/dbraw/zinc/80/80/99/928808099.db2.gz LWXQZZWLNNMTAT-HZMBPMFUSA-N 0 1 279.355 3.354 20 10 CGCDMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000399505272 928808109 /nfs/dbraw/zinc/80/81/09/928808109.db2.gz LWXQZZWLNNMTAT-HZMBPMFUSA-N 0 1 279.355 3.354 20 10 CGCDMN CN1CCN(c2ccc(CNc3cccc(F)c3)cc2)CC1 ZINC001461070662 937562279 /nfs/dbraw/zinc/56/22/79/937562279.db2.gz WMDBXXCIPTXCSL-UHFFFAOYSA-N 0 1 299.393 3.190 20 10 CGCDMN CC(C)[C@@H]1C[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC001461836533 937600439 /nfs/dbraw/zinc/60/04/39/937600439.db2.gz GDLREJFIFLZUPN-JOYOIKCWSA-N 0 1 284.197 3.289 20 10 CGCDMN COCC[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CC[C@@H](C)C1 ZINC001462173289 937622628 /nfs/dbraw/zinc/62/26/28/937622628.db2.gz BOIDWXYUPZKUSI-BXUZGUMPSA-N 0 1 299.361 3.307 20 10 CGCDMN CC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@@H](C)O1 ZINC001323302690 934381314 /nfs/dbraw/zinc/38/13/14/934381314.db2.gz GJVNDQJDARVIAA-CRAIPNDOSA-N 0 1 288.435 3.286 20 10 CGCDMN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](C)c1ccn(C)n1 ZINC001326047005 934947244 /nfs/dbraw/zinc/94/72/44/934947244.db2.gz SEKMKTVVWBOSAT-BZPMIXESSA-N 0 1 285.391 3.333 20 10 CGCDMN CCN(CC)c1ccc(CN(C)Cc2nccnc2C)cc1 ZINC001330656678 935309057 /nfs/dbraw/zinc/30/90/57/935309057.db2.gz JAFJQZBKVOSQOF-UHFFFAOYSA-N 0 1 298.434 3.263 20 10 CGCDMN CN(C)c1cc(F)c(CNC/C=C/C2CC2)cc1F ZINC001331522211 935388301 /nfs/dbraw/zinc/38/83/01/935388301.db2.gz WVFVRUOPABVVOM-ONEGZZNKSA-N 0 1 266.335 3.087 20 10 CGCDMN C[C@H]1CN(c2ccccc2F)CCN1Cc1ccc(N)cc1 ZINC001335290113 936137396 /nfs/dbraw/zinc/13/73/96/936137396.db2.gz SVJUXULMOVARIG-AWEZNQCLSA-N 0 1 299.393 3.119 20 10 CGCDMN c1c2cccnc2oc1CNCc1ccc2c(c1)CCO2 ZINC001473970263 937833232 /nfs/dbraw/zinc/83/32/32/937833232.db2.gz MMUSFPYUWJIQIW-UHFFFAOYSA-N 0 1 280.327 3.053 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC001603106677 972180239 /nfs/dbraw/zinc/18/02/39/972180239.db2.gz BRFJSVUYTQIWRW-IUODEOHRSA-N 0 1 291.391 3.058 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1 ZINC001603106674 972180295 /nfs/dbraw/zinc/18/02/95/972180295.db2.gz BOHPPBSEJVXLMB-WBMJQRKESA-N 0 1 291.391 3.201 20 10 CGCDMN CCOc1ccc([N@H+](CC)CC2(CC(=O)[O-])CC2)cc1 ZINC001597105328 986736407 /nfs/dbraw/zinc/73/64/07/986736407.db2.gz FHHXKVXWABELNP-UHFFFAOYSA-N 0 1 277.364 3.167 20 10 CGCDMN CCOc1ccc([N@@H+](CC)CC2(CC(=O)[O-])CC2)cc1 ZINC001597105328 986736416 /nfs/dbraw/zinc/73/64/16/986736416.db2.gz FHHXKVXWABELNP-UHFFFAOYSA-N 0 1 277.364 3.167 20 10 CGCDMN CC[N@H+](Cc1ccncc1)Cc1cc(Cl)ccc1[O-] ZINC000004676948 368555885 /nfs/dbraw/zinc/55/58/85/368555885.db2.gz XPPKLDWATMUHRS-UHFFFAOYSA-N 0 1 276.767 3.463 20 10 CGCDMN CC[N@@H+](Cc1ccncc1)Cc1cc(Cl)ccc1[O-] ZINC000004676948 368555890 /nfs/dbraw/zinc/55/58/90/368555890.db2.gz XPPKLDWATMUHRS-UHFFFAOYSA-N 0 1 276.767 3.463 20 10 CGCDMN C[C@@H](N[C@H](C)C(F)(F)F)c1ccc(F)c(F)c1O ZINC000287278306 371633951 /nfs/dbraw/zinc/63/39/51/371633951.db2.gz JKSNXBGVHGVUID-PHDIDXHHSA-N 0 1 269.213 3.272 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000287375481 371645205 /nfs/dbraw/zinc/64/52/05/371645205.db2.gz HYJILWPJUVSDDS-SDDRHHMPSA-N 0 1 283.799 3.369 20 10 CGCDMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000288516680 371739982 /nfs/dbraw/zinc/73/99/82/371739982.db2.gz JGBLEBDBYGTITJ-SCLBCKFNSA-N 0 1 282.387 3.364 20 10 CGCDMN C[C@H](NCc1ncccc1N(C)C)c1ccc(N(C)C)cc1 ZINC000289574647 371763575 /nfs/dbraw/zinc/76/35/75/371763575.db2.gz BDRFLNZZAKKZTQ-AWEZNQCLSA-N 0 1 298.434 3.064 20 10 CGCDMN CCC[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168771939 372618953 /nfs/dbraw/zinc/61/89/53/372618953.db2.gz NBGZXKNWTOSGAF-JSGCOSHPSA-N 0 1 273.376 3.357 20 10 CGCDMN C[C@H]([NH2+]CC1CCSCC1)c1cc(F)ccc1[O-] ZINC000168774606 372619525 /nfs/dbraw/zinc/61/95/25/372619525.db2.gz YGWAHGRQAMXHLJ-JTQLQIEISA-N 0 1 269.385 3.325 20 10 CGCDMN Cc1cc(CN(C)Cc2cc(Cl)c(F)cc2O)no1 ZINC000295394335 372762780 /nfs/dbraw/zinc/76/27/80/372762780.db2.gz QCRBKWGQPQSTLI-UHFFFAOYSA-N 0 1 284.718 3.113 20 10 CGCDMN C[C@@H]([NH2+]CCC(C)(C)CO)c1cc(Cl)ccc1[O-] ZINC000295861577 372937763 /nfs/dbraw/zinc/93/77/63/372937763.db2.gz BOLKIZUHTGKXFW-SNVBAGLBSA-N 0 1 271.788 3.105 20 10 CGCDMN C[C@]1(F)CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000295998491 372988935 /nfs/dbraw/zinc/98/89/35/372988935.db2.gz KUMCWZKKNVNRKE-ZDUSSCGKSA-N 0 1 257.736 3.370 20 10 CGCDMN COCCC(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000183943238 374475552 /nfs/dbraw/zinc/47/55/52/374475552.db2.gz UGLGLJFIIJWFHJ-LLVKDONJSA-N 0 1 269.360 3.245 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCS[C@H](C)CC2)c1[O-] ZINC000192172095 375705943 /nfs/dbraw/zinc/70/59/43/375705943.db2.gz LPLGBOXKYLYOLP-SNVBAGLBSA-N 0 1 297.395 3.061 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCS[C@H](C)CC2)c1[O-] ZINC000192172095 375705945 /nfs/dbraw/zinc/70/59/45/375705945.db2.gz LPLGBOXKYLYOLP-SNVBAGLBSA-N 0 1 297.395 3.061 20 10 CGCDMN CC(=O)c1cc(F)cc(CN2CCS[C@H](C)CC2)c1O ZINC000192172095 375705950 /nfs/dbraw/zinc/70/59/50/375705950.db2.gz LPLGBOXKYLYOLP-SNVBAGLBSA-N 0 1 297.395 3.061 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCc1ccccn1 ZINC000269383892 378214931 /nfs/dbraw/zinc/21/49/31/378214931.db2.gz YVNMPCFZSHZFEA-UHFFFAOYSA-N 0 1 276.767 3.163 20 10 CGCDMN C[C@H](CCO)C1(C[NH2+]Cc2c([O-])cccc2Cl)CCC1 ZINC000271873928 378509534 /nfs/dbraw/zinc/50/95/34/378509534.db2.gz YNXHXXVINDCNHH-GFCCVEGCSA-N 0 1 297.826 3.324 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000273345796 378742497 /nfs/dbraw/zinc/74/24/97/378742497.db2.gz ARFDYDFSSPSHFM-PSASIEDQSA-N 0 1 257.786 3.202 20 10 CGCDMN Cc1cc(O)c(CN2CCC[C@H]2c2ncc[nH]2)cc1C ZINC000375344286 379493297 /nfs/dbraw/zinc/49/32/97/379493297.db2.gz CSXWOZGRYLROJM-AWEZNQCLSA-N 0 1 271.364 3.069 20 10 CGCDMN Oc1ccc(F)cc1CN[C@@H]1COc2c1cccc2Cl ZINC000376168344 379524547 /nfs/dbraw/zinc/52/45/47/379524547.db2.gz WHHIVPITNNDBLA-CYBMUJFWSA-N 0 1 293.725 3.408 20 10 CGCDMN Cc1ccc(O)c(CNc2nccn2CC(C)C)c1 ZINC000281134629 379820534 /nfs/dbraw/zinc/82/05/34/379820534.db2.gz YRRUPEUMJKOCSC-UHFFFAOYSA-N 0 1 259.353 3.165 20 10 CGCDMN C[C@@H]([NH2+]CCC1(O)CCC1)c1cc(Cl)ccc1[O-] ZINC000284269095 380136393 /nfs/dbraw/zinc/13/63/93/380136393.db2.gz GTWZGACSQTWLBE-SNVBAGLBSA-N 0 1 269.772 3.001 20 10 CGCDMN COc1cccc(CN2CCc3cccc(F)c3C2)c1O ZINC000093454287 392237780 /nfs/dbraw/zinc/23/77/80/392237780.db2.gz XXSGZHDJXLHMBW-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN Cc1cccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000124513195 392434955 /nfs/dbraw/zinc/43/49/55/392434955.db2.gz MVGUCQIIMYTAFB-LBPRGKRZSA-N 0 1 273.298 3.475 20 10 CGCDMN C[C@H](NCc1cccc(Cl)c1O)C(F)(F)F ZINC000290213850 392442889 /nfs/dbraw/zinc/44/28/89/392442889.db2.gz QUWAWQVJCPLDMN-LURJTMIESA-N 0 1 253.651 3.086 20 10 CGCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000372176462 392591927 /nfs/dbraw/zinc/59/19/27/392591927.db2.gz SESAFGJLLRIVJM-JKSUJKDBSA-N 0 1 297.398 3.404 20 10 CGCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000372176462 392591928 /nfs/dbraw/zinc/59/19/28/392591928.db2.gz SESAFGJLLRIVJM-JKSUJKDBSA-N 0 1 297.398 3.404 20 10 CGCDMN C[C@H](NCc1nccs1)c1cc(Cl)ccc1O ZINC000185087593 262041080 /nfs/dbraw/zinc/04/10/80/262041080.db2.gz SIBJGLTUEJLHPR-QMMMGPOBSA-N 0 1 268.769 3.353 20 10 CGCDMN CC[C@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185676867 262065770 /nfs/dbraw/zinc/06/57/70/262065770.db2.gz PQEOSTHQNQQWPC-WDEREUQCSA-N 0 1 271.788 3.105 20 10 CGCDMN C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1[O-])N(C)C ZINC000038088831 278210230 /nfs/dbraw/zinc/21/02/30/278210230.db2.gz NWRPECRHHCYLAD-CHWSQXEVSA-N 0 1 272.392 3.146 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000378633454 329057161 /nfs/dbraw/zinc/05/71/61/329057161.db2.gz OJIUHHCPXZHOGV-LBPRGKRZSA-N 0 1 269.772 3.047 20 10 CGCDMN Oc1c(Cl)cccc1CN1CCO[C@H](c2ccco2)C1 ZINC000180628894 329221418 /nfs/dbraw/zinc/22/14/18/329221418.db2.gz VHYMMCQQUKXCNN-AWEZNQCLSA-N 0 1 293.750 3.212 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000180628894 329221420 /nfs/dbraw/zinc/22/14/20/329221420.db2.gz VHYMMCQQUKXCNN-AWEZNQCLSA-N 0 1 293.750 3.212 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000180628894 329221422 /nfs/dbraw/zinc/22/14/22/329221422.db2.gz VHYMMCQQUKXCNN-AWEZNQCLSA-N 0 1 293.750 3.212 20 10 CGCDMN C[C@@H]([NH2+]CC1CC1)c1cc(Br)ccc1[O-] ZINC000134911922 334108135 /nfs/dbraw/zinc/10/81/35/334108135.db2.gz HPLKOFCURSVYSF-MRVPVSSYSA-N 0 1 270.170 3.215 20 10 CGCDMN CCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000052067782 519986132 /nfs/dbraw/zinc/98/61/32/519986132.db2.gz LNRRHDJXWOSVCA-QMMMGPOBSA-N 0 1 258.159 3.215 20 10 CGCDMN CC[C@@H](CSC)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000290289146 522602802 /nfs/dbraw/zinc/60/28/02/522602802.db2.gz AEJPKFPZWAQWEK-NSHDSACASA-N 0 1 257.374 3.105 20 10 CGCDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccccn1 ZINC000050286073 525449052 /nfs/dbraw/zinc/44/90/52/525449052.db2.gz CTUZFRWFYLEVAJ-AWEZNQCLSA-N 0 1 281.403 3.315 20 10 CGCDMN C[C@@H](O)CCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000228031002 525758858 /nfs/dbraw/zinc/75/88/58/525758858.db2.gz FLPBVPAYIUXGAI-CHWSQXEVSA-N 0 1 273.376 3.357 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000289730022 526328555 /nfs/dbraw/zinc/32/85/55/526328555.db2.gz HUZBZBYPIARZNV-OAHLLOKOSA-N 0 1 272.323 3.263 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCCSC1 ZINC000129235797 526364697 /nfs/dbraw/zinc/36/46/97/526364697.db2.gz IGAYLENHFREAND-SECBINFHSA-N 0 1 257.786 3.031 20 10 CGCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCC[C@H](C)C1 ZINC000733324691 572554986 /nfs/dbraw/zinc/55/49/86/572554986.db2.gz TXKNGQZSLLVJPS-QWHCGFSZSA-N 0 1 296.842 3.256 20 10 CGCDMN CCC[C@H](C(=O)OCC)N(CCC)Cc1ccccc1O ZINC000743870689 572694311 /nfs/dbraw/zinc/69/43/11/572694311.db2.gz ZUDZOBBHNHQWCB-OAHLLOKOSA-N 0 1 293.407 3.336 20 10 CGCDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736754838 572809079 /nfs/dbraw/zinc/80/90/79/572809079.db2.gz GZBZQYHKOOUEGD-NEPJUHHUSA-N 0 1 299.370 3.474 20 10 CGCDMN CC[C@@H](CSC)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000162189525 618743401 /nfs/dbraw/zinc/74/34/01/618743401.db2.gz WRXUKMLPPBGTTL-NSHDSACASA-N 0 1 259.802 3.277 20 10 CGCDMN CC1(C)CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000828069516 600717434 /nfs/dbraw/zinc/71/74/34/600717434.db2.gz ZRASRAHLLXFPEH-UHFFFAOYSA-N 0 1 299.370 3.476 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)ccc1O)C1(C(=O)[O-])CCCCC1 ZINC000380487660 604641297 /nfs/dbraw/zinc/64/12/97/604641297.db2.gz BLCVQBHNWNGGDW-UHFFFAOYSA-N 0 1 297.782 3.265 20 10 CGCDMN C[N@H+](CCc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000120801564 617802130 /nfs/dbraw/zinc/80/21/30/617802130.db2.gz NKFUOSCBVGVVCJ-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN C[N@@H+](CCc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000120801564 617802133 /nfs/dbraw/zinc/80/21/33/617802133.db2.gz NKFUOSCBVGVVCJ-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN CC(C)SCC[NH2+]Cc1c([O-])cccc1Cl ZINC000309239487 618827034 /nfs/dbraw/zinc/82/70/34/618827034.db2.gz WGLUJUXMMFYTCG-UHFFFAOYSA-N 0 1 259.802 3.277 20 10 CGCDMN C[C@@H]1SCC[C@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000309814302 618963179 /nfs/dbraw/zinc/96/31/79/618963179.db2.gz AIPNUMUZPZQPHJ-GZMMTYOYSA-N 0 1 257.786 3.029 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000894002607 619349594 /nfs/dbraw/zinc/34/95/94/619349594.db2.gz SXUXKOXMIFHMGE-CYBMUJFWSA-N 0 1 253.292 3.045 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000895585744 619854928 /nfs/dbraw/zinc/85/49/28/619854928.db2.gz ZBRWYYFNHZXWSP-JTQLQIEISA-N 0 1 294.807 3.492 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000895585744 619854930 /nfs/dbraw/zinc/85/49/30/619854930.db2.gz ZBRWYYFNHZXWSP-JTQLQIEISA-N 0 1 294.807 3.492 20 10 CGCDMN CC[C@]1(C)CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000093459019 620535236 /nfs/dbraw/zinc/53/52/36/620535236.db2.gz MWGVLJCJRXNSEN-MRXNPFEDSA-N 0 1 263.381 3.413 20 10 CGCDMN [O-]c1ccccc1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000898516174 620595489 /nfs/dbraw/zinc/59/54/89/620595489.db2.gz NNWOETNWCKNQIR-GOEBONIOSA-N 0 1 275.392 3.031 20 10 CGCDMN [O-]c1ccccc1C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000898516174 620595491 /nfs/dbraw/zinc/59/54/91/620595491.db2.gz NNWOETNWCKNQIR-GOEBONIOSA-N 0 1 275.392 3.031 20 10 CGCDMN Cc1cc(CN2CCOC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000046477894 622976816 /nfs/dbraw/zinc/97/68/16/622976816.db2.gz AQTVQAZHNCFBIF-ZDUSSCGKSA-N 0 1 277.408 3.219 20 10 CGCDMN CC(C)Oc1ncccc1CNCc1cc(F)ccc1O ZINC000226581818 622984170 /nfs/dbraw/zinc/98/41/70/622984170.db2.gz IHMDVFPTACGKFP-UHFFFAOYSA-N 0 1 290.338 3.003 20 10 CGCDMN C[C@H](C1CC1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000158016772 622992772 /nfs/dbraw/zinc/99/27/72/622992772.db2.gz CXXUNRFEFLCNFH-SECBINFHSA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@H](C1CC1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000158016772 622992776 /nfs/dbraw/zinc/99/27/76/622992776.db2.gz CXXUNRFEFLCNFH-SECBINFHSA-N 0 1 284.197 3.385 20 10 CGCDMN Oc1ccc(F)cc1CNCc1cc(F)ccc1F ZINC000083494238 623423945 /nfs/dbraw/zinc/42/39/45/623423945.db2.gz XMQJQQSPDVEQNL-UHFFFAOYSA-N 0 1 267.250 3.099 20 10 CGCDMN Cc1noc(C)c1[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000921741455 625859689 /nfs/dbraw/zinc/85/96/89/625859689.db2.gz HWRAMAFZFJCGST-NSHDSACASA-N 0 1 286.375 3.467 20 10 CGCDMN CC[C@H]1CN(Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000074068105 626086684 /nfs/dbraw/zinc/08/66/84/626086684.db2.gz YIFSOWGROWQVDV-HNNXBMFYSA-N 0 1 277.408 3.435 20 10 CGCDMN c1cc2c(c(CNCc3ccc4c(c3)CCCO4)c1)OCC2 ZINC000922940898 626103946 /nfs/dbraw/zinc/10/39/46/626103946.db2.gz GZKZURAPJXNNAY-UHFFFAOYSA-N 0 1 295.382 3.236 20 10 CGCDMN CCCN1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756359024 626695729 /nfs/dbraw/zinc/69/57/29/626695729.db2.gz CCAHJEXPLPSPNN-NSHDSACASA-N 0 1 298.377 3.195 20 10 CGCDMN CC(C)C[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756497995 626710083 /nfs/dbraw/zinc/71/00/83/626710083.db2.gz SAMMNBDNXGBTDM-JQWIXIFHSA-N 0 1 271.788 3.103 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCOC2)c2c1c(F)ccc2[O-] ZINC000756573552 626717158 /nfs/dbraw/zinc/71/71/58/626717158.db2.gz KUZLAJJNLBNZOI-NSODJVPESA-N 0 1 279.355 3.096 20 10 CGCDMN CC[C@@H](NCc1ccc(N(C)C)cc1C)c1ccn(C)n1 ZINC000756587062 626718842 /nfs/dbraw/zinc/71/88/42/626718842.db2.gz WGAIGOWPDIMZEK-MRXNPFEDSA-N 0 1 286.423 3.035 20 10 CGCDMN Cc1ccc(O)c([C@H](C)NCc2csc(N(C)C)n2)c1 ZINC000756637049 626722815 /nfs/dbraw/zinc/72/28/15/626722815.db2.gz LKLUHNWEWMDHAY-NSHDSACASA-N 0 1 291.420 3.074 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1ccc2ccccc2c1[O-] ZINC000756741218 626729382 /nfs/dbraw/zinc/72/93/82/626729382.db2.gz WENKATMBRZPDJN-PXAZEXFGSA-N 0 1 285.387 3.357 20 10 CGCDMN C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000756775362 626731513 /nfs/dbraw/zinc/73/15/13/626731513.db2.gz HDUYVLURPCDCME-IONNQARKSA-N 0 1 297.704 3.010 20 10 CGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)OCC1CC1 ZINC000805135568 626776001 /nfs/dbraw/zinc/77/60/01/626776001.db2.gz OHDUXLCCWCCDQW-UHFFFAOYSA-N 0 1 290.146 3.335 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000766227072 627305593 /nfs/dbraw/zinc/30/55/93/627305593.db2.gz XITKOJFVGBVBAG-ZDUSSCGKSA-N 0 1 294.826 3.152 20 10 CGCDMN CCOc1ccc(C[N@@H+](C)CC(C)(C)C)c([O-])c1 ZINC000768937052 627510087 /nfs/dbraw/zinc/51/00/87/627510087.db2.gz KTPSZJZIJQOPNW-UHFFFAOYSA-N 0 1 251.370 3.269 20 10 CGCDMN CCOc1ccc(C[N@H+](C)CC(C)(C)C)c([O-])c1 ZINC000768937052 627510084 /nfs/dbraw/zinc/51/00/84/627510084.db2.gz KTPSZJZIJQOPNW-UHFFFAOYSA-N 0 1 251.370 3.269 20 10 CGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000769328332 627541809 /nfs/dbraw/zinc/54/18/09/627541809.db2.gz FZLGUFKGKAIXEQ-LBPRGKRZSA-N 0 1 296.754 3.328 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(Cl)ccc1[O-] ZINC000775492202 628100416 /nfs/dbraw/zinc/10/04/16/628100416.db2.gz NHVMMIUKKUCYDK-WFASDCNBSA-N 0 1 296.842 3.428 20 10 CGCDMN C[C@@H]1CSCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775696367 628126436 /nfs/dbraw/zinc/12/64/36/628126436.db2.gz JDVPQASLTKCFFF-MRVPVSSYSA-N 0 1 275.776 3.122 20 10 CGCDMN Cc1cc(Cl)cc(C[N@@H+](C)Cc2ccc[nH]2)c1O ZINC000775734605 628130001 /nfs/dbraw/zinc/13/00/01/628130001.db2.gz SJTJKRYZYDEPBB-UHFFFAOYSA-N 0 1 264.756 3.314 20 10 CGCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCCC[C@H]1C ZINC000775986812 628155852 /nfs/dbraw/zinc/15/58/52/628155852.db2.gz JIROCWBKXFMSLV-CHWSQXEVSA-N 0 1 296.842 3.398 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777439899 628270351 /nfs/dbraw/zinc/27/03/51/628270351.db2.gz QIYJIKRQKOQHSO-OAHLLOKOSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777439899 628270354 /nfs/dbraw/zinc/27/03/54/628270354.db2.gz QIYJIKRQKOQHSO-OAHLLOKOSA-N 0 1 295.810 3.437 20 10 CGCDMN CC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cn1 ZINC000779044922 628385392 /nfs/dbraw/zinc/38/53/92/628385392.db2.gz HSSBLPRBCLARJH-OAHLLOKOSA-N 0 1 286.350 3.397 20 10 CGCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCCC[C@H]1O ZINC000779152512 628391151 /nfs/dbraw/zinc/39/11/51/628391151.db2.gz BBSJGTUWQZBJJG-SMDDNHRTSA-N 0 1 283.799 3.029 20 10 CGCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCCC[C@H]1O ZINC000779152512 628391152 /nfs/dbraw/zinc/39/11/52/628391152.db2.gz BBSJGTUWQZBJJG-SMDDNHRTSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H]1C[C@H](CC[NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000784643681 628827269 /nfs/dbraw/zinc/82/72/69/628827269.db2.gz NRFQYZMATKPUGL-VXGBXAGGSA-N 0 1 283.799 3.340 20 10 CGCDMN CN(C)c1ccc(CN2CC(C)(C)OC(C)(C)C2)cc1F ZINC000785987850 628905929 /nfs/dbraw/zinc/90/59/29/628905929.db2.gz COSVCMSHWOZKIL-UHFFFAOYSA-N 0 1 294.414 3.281 20 10 CGCDMN CO[C@@H](CC[NH2+]Cc1c([O-])cccc1Cl)C(F)(F)F ZINC000786824187 628966410 /nfs/dbraw/zinc/96/64/10/628966410.db2.gz SJWRGJMQVNEIDV-NSHDSACASA-N 0 1 297.704 3.103 20 10 CGCDMN C[C@@H](N[C@@H](C)c1ccc2ccccc2c1O)c1ncnn1C ZINC000788983248 629093871 /nfs/dbraw/zinc/09/38/71/629093871.db2.gz KYYZRRZIRLPASY-NWDGAFQWSA-N 0 1 296.374 3.086 20 10 CGCDMN CN(Cc1ccnn1-c1ccccc1)Cc1ccccc1O ZINC000790902734 629240244 /nfs/dbraw/zinc/24/02/44/629240244.db2.gz PKUXAGVCAQMWGD-UHFFFAOYSA-N 0 1 293.370 3.210 20 10 CGCDMN C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000790934635 629242254 /nfs/dbraw/zinc/24/22/54/629242254.db2.gz PVOABYWPTTUSLX-SMDDNHRTSA-N 0 1 283.799 3.171 20 10 CGCDMN C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000790934635 629242256 /nfs/dbraw/zinc/24/22/56/629242256.db2.gz PVOABYWPTTUSLX-SMDDNHRTSA-N 0 1 283.799 3.171 20 10 CGCDMN CCCN(Cc1cccc(C)c1O)[C@@H](CC)C(=O)OCC ZINC000792184527 629345948 /nfs/dbraw/zinc/34/59/48/629345948.db2.gz BTDQCZSXZOWUKW-HNNXBMFYSA-N 0 1 293.407 3.254 20 10 CGCDMN Oc1c(CN2CCO[C@H](CCF)C2)ccc2ccccc21 ZINC000862529418 629391016 /nfs/dbraw/zinc/39/10/16/629391016.db2.gz DRCJCUHEFWSYCS-OAHLLOKOSA-N 0 1 289.350 3.106 20 10 CGCDMN CC[C@@H]([NH2+]CCC1(O)CCC1)c1cc(Cl)ccc1[O-] ZINC000793567052 629484805 /nfs/dbraw/zinc/48/48/05/629484805.db2.gz XBJUQONYMXLGLQ-CYBMUJFWSA-N 0 1 283.799 3.391 20 10 CGCDMN CO[C@H]1CC[C@@H](C)N(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000864054545 629749442 /nfs/dbraw/zinc/74/94/42/629749442.db2.gz URRKRUCOJSNPLX-YPMHNXCESA-N 0 1 298.377 3.030 20 10 CGCDMN Cc1ccc2c(c1)CN(Cc1ccc(N(C)C)cc1)CCO2 ZINC000796430536 629779933 /nfs/dbraw/zinc/77/99/33/629779933.db2.gz MAWIWAHDVOGJFU-UHFFFAOYSA-N 0 1 296.414 3.456 20 10 CGCDMN CN(C)c1ccc(CNCc2cnc(Cl)c(F)c2)cc1 ZINC000865404623 630106048 /nfs/dbraw/zinc/10/60/48/630106048.db2.gz OJNSBJVGDWWDGQ-UHFFFAOYSA-N 0 1 293.773 3.230 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H](C)C1 ZINC000799736221 630228151 /nfs/dbraw/zinc/22/81/51/630228151.db2.gz IMHZNPZMNATQNN-VHSXEESVSA-N 0 1 287.762 3.184 20 10 CGCDMN Oc1cc2c(cc1CN1C[C@]3(CCCO3)[C@@H]1C1CC1)CCC2 ZINC000840094695 630590752 /nfs/dbraw/zinc/59/07/52/630590752.db2.gz MOXCTPACBLZVAD-RBUKOAKNSA-N 0 1 299.414 3.024 20 10 CGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1CCC1 ZINC000807836889 630599807 /nfs/dbraw/zinc/59/98/07/630599807.db2.gz STWSLSNUUCQMAV-UHFFFAOYSA-N 0 1 274.147 3.115 20 10 CGCDMN COc1cccc(CNCc2cscc2Cl)c1O ZINC000809739885 630796244 /nfs/dbraw/zinc/79/62/44/630796244.db2.gz FXJGAYBHDRTARM-UHFFFAOYSA-N 0 1 283.780 3.406 20 10 CGCDMN CCCC[N@@H+](CCCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000809752377 630800419 /nfs/dbraw/zinc/80/04/19/630800419.db2.gz QGFSYTQDEYHAFU-UHFFFAOYSA-N 0 1 289.778 3.169 20 10 CGCDMN CC(C)C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809767863 630804039 /nfs/dbraw/zinc/80/40/39/630804039.db2.gz WDSMPBKQWRMRJD-LBPRGKRZSA-N 0 1 289.778 3.024 20 10 CGCDMN CC[C@H]([NH2+]CCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208077 630853875 /nfs/dbraw/zinc/85/38/75/630853875.db2.gz RTJJXGJSJIJQGK-NSHDSACASA-N 0 1 277.286 3.098 20 10 CGCDMN CCCC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000811521079 631082958 /nfs/dbraw/zinc/08/29/58/631082958.db2.gz ZANKMIYDXQTHTJ-LLVKDONJSA-N 0 1 296.367 3.320 20 10 CGCDMN CCN(C)c1ccc(CN2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC000815102644 631717745 /nfs/dbraw/zinc/71/77/45/631717745.db2.gz LDLHZHOHEDMIPK-KDOFPFPSSA-N 0 1 288.435 3.142 20 10 CGCDMN CN(C)c1ccc(CN2CCOC[C@H]2CC2CCC2)cc1 ZINC000815293093 631754592 /nfs/dbraw/zinc/75/45/92/631754592.db2.gz WTVIMUBLMZLGRM-GOSISDBHSA-N 0 1 288.435 3.144 20 10 CGCDMN Cc1noc(C)c1C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816491788 631992088 /nfs/dbraw/zinc/99/20/88/631992088.db2.gz YRFGOZMVVQVBBF-UHFFFAOYSA-N 0 1 298.745 3.422 20 10 CGCDMN CCOCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816530361 632004440 /nfs/dbraw/zinc/00/44/40/632004440.db2.gz FRZBFMKKAPRWEH-UHFFFAOYSA-N 0 1 259.349 3.062 20 10 CGCDMN CCC(CC)(CO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559109 632011053 /nfs/dbraw/zinc/01/10/53/632011053.db2.gz XTBACKLDQOYFQW-UHFFFAOYSA-N 0 1 287.403 3.434 20 10 CGCDMN [O-]c1c(C[NH2+]CC2(CO)CCCC2)ccc2ccccc21 ZINC000816570945 632016010 /nfs/dbraw/zinc/01/60/10/632016010.db2.gz MJJAFTPYUBMBBI-UHFFFAOYSA-N 0 1 285.387 3.188 20 10 CGCDMN CC1(CO)CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816569889 632016296 /nfs/dbraw/zinc/01/62/96/632016296.db2.gz ABORMTOYOVORLG-UHFFFAOYSA-N 0 1 285.387 3.140 20 10 CGCDMN C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816609048 632023066 /nfs/dbraw/zinc/02/30/66/632023066.db2.gz QKZIDOZLCXIGJT-ZFWWWQNUSA-N 0 1 285.387 3.308 20 10 CGCDMN CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817979890 632270014 /nfs/dbraw/zinc/27/00/14/632270014.db2.gz PZGCNRMIYYGDSC-JGVFFNPUSA-N 0 1 277.195 3.087 20 10 CGCDMN COc1ccc(N2CC[C@@H](CNc3cc(C)ccn3)C2)cc1 ZINC000819936340 632540555 /nfs/dbraw/zinc/54/05/55/632540555.db2.gz RZIBHNOIOXEUAX-HNNXBMFYSA-N 0 1 297.402 3.337 20 10 CGCDMN COC(=O)CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])C(C)C ZINC000824809285 633294683 /nfs/dbraw/zinc/29/46/83/633294683.db2.gz SOJLUVBOALMZOQ-UHFFFAOYSA-N 0 1 299.798 3.128 20 10 CGCDMN COC(=O)CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])C(C)C ZINC000824809285 633294694 /nfs/dbraw/zinc/29/46/94/633294694.db2.gz SOJLUVBOALMZOQ-UHFFFAOYSA-N 0 1 299.798 3.128 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000824814741 633295415 /nfs/dbraw/zinc/29/54/15/633295415.db2.gz FAZHKJUQFPUFSP-TVQRCGJNSA-N 0 1 287.762 3.042 20 10 CGCDMN CCn1cc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000825130075 633331409 /nfs/dbraw/zinc/33/14/09/633331409.db2.gz LREQCSBTILDJAW-SNVBAGLBSA-N 0 1 279.771 3.113 20 10 CGCDMN Cc1ncc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])s1 ZINC000825376325 633349866 /nfs/dbraw/zinc/34/98/66/633349866.db2.gz YBWWDDFAVGITTJ-UHFFFAOYSA-N 0 1 296.823 3.451 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@]2(C)CCCOC2)cc1Cl ZINC000825441649 633354491 /nfs/dbraw/zinc/35/44/91/633354491.db2.gz QKCBZBJFANVCTH-AWEZNQCLSA-N 0 1 269.772 3.013 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCOCC3(CCC3)C2)cc1Cl ZINC000825513094 633360990 /nfs/dbraw/zinc/36/09/90/633360990.db2.gz BLIGTXXKZQZDSR-UHFFFAOYSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCOCC3(CCC3)C2)cc1Cl ZINC000825513094 633360993 /nfs/dbraw/zinc/36/09/93/633360993.db2.gz BLIGTXXKZQZDSR-UHFFFAOYSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CSC[C@H]2C)cc1Cl ZINC000825886470 633385953 /nfs/dbraw/zinc/38/59/53/633385953.db2.gz PKGFXNZVUFJBFS-BXKDBHETSA-N 0 1 271.813 3.195 20 10 CGCDMN CCC[C@@]1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCOC1 ZINC000825886425 633386038 /nfs/dbraw/zinc/38/60/38/633386038.db2.gz OVPPPTYHWUYJIG-OAHLLOKOSA-N 0 1 283.799 3.403 20 10 CGCDMN CO[C@H]([C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000826089363 633404201 /nfs/dbraw/zinc/40/42/01/633404201.db2.gz FRJOQWWOQGNRBI-ZUZCIYMTSA-N 0 1 283.799 3.257 20 10 CGCDMN CCc1ccc(C)nc1NCc1cc(F)ccc1O ZINC000826910996 633443299 /nfs/dbraw/zinc/44/32/99/633443299.db2.gz QRJZZQLBEWXWGA-UHFFFAOYSA-N 0 1 260.312 3.409 20 10 CGCDMN CCc1nc(CN[C@H](CC)c2ccc(C)cc2O)co1 ZINC000834897051 634274492 /nfs/dbraw/zinc/27/44/92/634274492.db2.gz FIEKTPYHGSXXCQ-CQSZACIVSA-N 0 1 274.364 3.492 20 10 CGCDMN CN(C)c1ccc(C=CCN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000835043097 634330418 /nfs/dbraw/zinc/33/04/18/634330418.db2.gz MVCBOZQIUOLJPF-CHYADLBTSA-N 0 1 296.418 3.156 20 10 CGCDMN COc1cccc(OC)c1CN(C)Cc1ccccc1O ZINC000876616532 634868465 /nfs/dbraw/zinc/86/84/65/634868465.db2.gz YXVBJMLXSMMMOT-UHFFFAOYSA-N 0 1 287.359 3.041 20 10 CGCDMN CO[C@@]1(C)CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877491243 635058556 /nfs/dbraw/zinc/05/85/56/635058556.db2.gz HRFKAGRTZVWEIO-HNNXBMFYSA-N 0 1 285.334 3.061 20 10 CGCDMN Oc1c(CN[C@@H](C2CC2)C(F)(F)F)ccc(F)c1F ZINC000877534540 635076077 /nfs/dbraw/zinc/07/60/77/635076077.db2.gz COUJBSQBOWOBIA-NSHDSACASA-N 0 1 281.224 3.101 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)c2ccsc2)c(Cl)c1 ZINC000840898438 635077887 /nfs/dbraw/zinc/07/78/87/635077887.db2.gz DWAGYKMAQKWBMB-AWEZNQCLSA-N 0 1 297.807 3.239 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H]2CCCOC2)c(Cl)c1 ZINC000840914782 635081930 /nfs/dbraw/zinc/08/19/30/635081930.db2.gz YVDZLYKLSRNASV-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCCOC2)c(Cl)c1 ZINC000840914782 635081934 /nfs/dbraw/zinc/08/19/34/635081934.db2.gz YVDZLYKLSRNASV-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@@H](C2CCC2)C1 ZINC000840954118 635092454 /nfs/dbraw/zinc/09/24/54/635092454.db2.gz GKLTUEKURQIRKR-OAHLLOKOSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)ccc(F)c1F ZINC000877568596 635094823 /nfs/dbraw/zinc/09/48/23/635094823.db2.gz SALMFLDTXIUQSK-WFASDCNBSA-N 0 1 279.330 3.291 20 10 CGCDMN COc1cccc2c1CN(Cc1c(C)cccc1O)C2 ZINC000877658780 635135340 /nfs/dbraw/zinc/13/53/40/635135340.db2.gz XJFXQHODIGJPNU-UHFFFAOYSA-N 0 1 269.344 3.225 20 10 CGCDMN CCC[C@H](CCO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000877666715 635138990 /nfs/dbraw/zinc/13/89/90/635138990.db2.gz GWXCDVUWTGGRJI-OAHLLOKOSA-N 0 1 273.376 3.186 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CCC(C(C)(C)O)CC2)cc1Cl ZINC000877751465 635181188 /nfs/dbraw/zinc/18/11/88/635181188.db2.gz BEZHGLNFTLFPMM-UHFFFAOYSA-N 0 1 297.826 3.337 20 10 CGCDMN CC(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744202 635222633 /nfs/dbraw/zinc/22/26/33/635222633.db2.gz FTWNQOVUVUUERE-ZYHUDNBSSA-N 0 1 271.788 3.103 20 10 CGCDMN COC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841750796 635225588 /nfs/dbraw/zinc/22/55/88/635225588.db2.gz JCYHVFXIQMBVAZ-ZANVPECISA-N 0 1 269.772 3.121 20 10 CGCDMN C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841758502 635231645 /nfs/dbraw/zinc/23/16/45/635231645.db2.gz MFQXPUCICQILNR-NTZNESFSSA-N 0 1 294.826 3.321 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000843417595 635663079 /nfs/dbraw/zinc/66/30/79/635663079.db2.gz VECNVZGKFCDYHN-IUODEOHRSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000843417595 635663083 /nfs/dbraw/zinc/66/30/83/635663083.db2.gz VECNVZGKFCDYHN-IUODEOHRSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000843417188 635663512 /nfs/dbraw/zinc/66/35/12/635663512.db2.gz QRNMWEGXXIVPBD-UKRRQHHQSA-N 0 1 295.810 3.437 20 10 CGCDMN CC[N@@H+](CCSC)Cc1cccc(Cl)c1[O-] ZINC000843437380 635676207 /nfs/dbraw/zinc/67/62/07/635676207.db2.gz FWFCPKBVAGNBHT-UHFFFAOYSA-N 0 1 259.802 3.231 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC2(CCC2)O1 ZINC000843433438 635674057 /nfs/dbraw/zinc/67/40/57/635674057.db2.gz ZXOKLWUSOIECCS-NSHDSACASA-N 0 1 281.783 3.189 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCS1 ZINC000128041412 635873030 /nfs/dbraw/zinc/87/30/30/635873030.db2.gz WMWTVEOGSOHOMK-SNVBAGLBSA-N 0 1 271.813 3.373 20 10 CGCDMN CC[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CCS1 ZINC000128041412 635873035 /nfs/dbraw/zinc/87/30/35/635873035.db2.gz WMWTVEOGSOHOMK-SNVBAGLBSA-N 0 1 271.813 3.373 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CCS1 ZINC000128041412 635873039 /nfs/dbraw/zinc/87/30/39/635873039.db2.gz WMWTVEOGSOHOMK-SNVBAGLBSA-N 0 1 271.813 3.373 20 10 CGCDMN CCc1cccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1O ZINC000848911194 636686423 /nfs/dbraw/zinc/68/64/23/636686423.db2.gz RKEKVKBTMHOFKR-RHSMWYFYSA-N 0 1 291.435 3.470 20 10 CGCDMN COc1cccc(F)c1[C@@H](C)NCc1ccccc1O ZINC000135224836 637097802 /nfs/dbraw/zinc/09/78/02/637097802.db2.gz UDEFATDSHFORGL-LLVKDONJSA-N 0 1 275.323 3.391 20 10 CGCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccns1 ZINC000858316472 638679544 /nfs/dbraw/zinc/67/95/44/638679544.db2.gz CISXMBJSOMOZND-JTQLQIEISA-N 0 1 279.384 3.199 20 10 CGCDMN Cc1ccc([C@H](C)NCc2cc(C3CC3)n(C)n2)c(O)c1 ZINC000927109690 638843063 /nfs/dbraw/zinc/84/30/63/638843063.db2.gz VMTIXZMMPYHVPH-LBPRGKRZSA-N 0 1 285.391 3.162 20 10 CGCDMN C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C)CO1 ZINC000245541648 640625694 /nfs/dbraw/zinc/62/56/94/640625694.db2.gz OOXKRSAQVAQPOT-JKSUJKDBSA-N 0 1 288.435 3.286 20 10 CGCDMN CCOc1ccc(O)c(CN2CCOC[C@H]2CC(C)C)c1 ZINC000093340294 640769070 /nfs/dbraw/zinc/76/90/70/640769070.db2.gz NWTUKAUNPQKRNF-OAHLLOKOSA-N 0 1 293.407 3.038 20 10 CGCDMN CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CCS1 ZINC000093502189 640774445 /nfs/dbraw/zinc/77/44/45/640774445.db2.gz GFJYNUVZLFPUJR-LBPRGKRZSA-N 0 1 271.813 3.373 20 10 CGCDMN CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CCS1 ZINC000093502189 640774446 /nfs/dbraw/zinc/77/44/46/640774446.db2.gz GFJYNUVZLFPUJR-LBPRGKRZSA-N 0 1 271.813 3.373 20 10 CGCDMN CCOCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970789 640850334 /nfs/dbraw/zinc/85/03/34/640850334.db2.gz ZVAZRIXZEVBROS-UHFFFAOYSA-N 0 1 275.348 3.024 20 10 CGCDMN CCOCCN(Cc1ccco1)Cc1ccccc1O ZINC000096970789 640850337 /nfs/dbraw/zinc/85/03/37/640850337.db2.gz ZVAZRIXZEVBROS-UHFFFAOYSA-N 0 1 275.348 3.024 20 10 CGCDMN Cc1ccc(N(C)Cc2ccc(N(C)C)cc2)nc1C ZINC001156923800 805752581 /nfs/dbraw/zinc/75/25/81/805752581.db2.gz GBSVXTBPDUITMT-UHFFFAOYSA-N 0 1 269.392 3.401 20 10 CGCDMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000161296652 799079078 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/nfs/dbraw/zinc/07/15/30/813071530.db2.gz AZCJOGJIXMCNCO-GFCCVEGCSA-N 0 1 297.826 3.337 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cc2cccnc2o1 ZINC001206517252 813339121 /nfs/dbraw/zinc/33/91/21/813339121.db2.gz PBIULQORMSJBJI-UHFFFAOYSA-N 0 1 288.734 3.477 20 10 CGCDMN CCN(CC)Cc1c(Br)ccc(OC)c1O ZINC001231547661 818124003 /nfs/dbraw/zinc/12/40/03/818124003.db2.gz HMBMMPFAHDUBMZ-UHFFFAOYSA-N 0 1 288.185 3.005 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)cc1Cl ZINC001231867961 818191604 /nfs/dbraw/zinc/19/16/04/818191604.db2.gz OTYCZOPBUZYWNH-LRDDRELGSA-N 0 1 297.826 3.337 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)cc1Cl ZINC001231867961 818191610 /nfs/dbraw/zinc/19/16/10/818191610.db2.gz OTYCZOPBUZYWNH-LRDDRELGSA-N 0 1 297.826 3.337 20 10 CGCDMN Cc1cc(O)c(CN2CC3(CCC3)C2)cc1Cl ZINC001231867034 818192537 /nfs/dbraw/zinc/19/25/37/818192537.db2.gz GYUKIFAFOYNTMV-UHFFFAOYSA-N 0 1 251.757 3.340 20 10 CGCDMN CCCO[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231870726 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ZINC001232270057 818299665 /nfs/dbraw/zinc/29/96/65/818299665.db2.gz RIZPKLJIHQISIL-GFCCVEGCSA-N 0 1 299.798 3.055 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](OC)CC2)cc1Cl ZINC001232270057 818299667 /nfs/dbraw/zinc/29/96/67/818299667.db2.gz RIZPKLJIHQISIL-GFCCVEGCSA-N 0 1 299.798 3.055 20 10 CGCDMN CCCn1cnc(CN(CC)Cc2ccccc2O)c1 ZINC001232799624 818444391 /nfs/dbraw/zinc/44/43/91/818444391.db2.gz PZYORXZOZWVAEO-UHFFFAOYSA-N 0 1 273.380 3.021 20 10 CGCDMN Oc1cc(CN2CCC3(CCCCC3)CC2)cc(O)c1O ZINC001233010340 818499719 /nfs/dbraw/zinc/49/97/19/818499719.db2.gz OYTYVXHFCJOJTO-UHFFFAOYSA-N 0 1 291.391 3.350 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)ccc(F)c1F ZINC001233076700 818517371 /nfs/dbraw/zinc/51/73/71/818517371.db2.gz TWFZHKLOEJGQRA-QWRGUYRKSA-N 0 1 267.319 3.292 20 10 CGCDMN C[N@@H+](Cc1ccsc1)Cc1ccc(F)c(F)c1[O-] ZINC001233077108 818519671 /nfs/dbraw/zinc/51/96/71/818519671.db2.gz DTJSTOYJLKHAAP-UHFFFAOYSA-N 0 1 269.316 3.364 20 10 CGCDMN Cc1ccc(CN2CCCc3cc(O)c(O)cc3C2)cc1O ZINC001233235040 818548251 /nfs/dbraw/zinc/54/82/51/818548251.db2.gz MYSMIKSSDPJEBS-UHFFFAOYSA-N 0 1 299.370 3.060 20 10 CGCDMN CC(C)(C)c1ccc(O)c(CN2CCCC23COC3)c1 ZINC001233286090 818568410 /nfs/dbraw/zinc/56/84/10/818568410.db2.gz DYICDXNQVXKVBX-UHFFFAOYSA-N 0 1 275.392 3.055 20 10 CGCDMN COc1cc(Cl)cc(CN2C[C@@H](C)C[C@H]2CF)c1O ZINC001233287926 818569455 /nfs/dbraw/zinc/56/94/55/818569455.db2.gz NRLJKAGESLBZKF-CABZTGNLSA-N 0 1 287.762 3.234 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2F)[C@H]1C ZINC001233334678 818583987 /nfs/dbraw/zinc/58/39/87/818583987.db2.gz PPRQYWIKMZFKTL-UWVGGRQHSA-N 0 1 255.308 3.291 20 10 CGCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001233334754 818585646 /nfs/dbraw/zinc/58/56/46/818585646.db2.gz RZPWQZSMUXTUSN-CQSZACIVSA-N 0 1 290.313 3.403 20 10 CGCDMN CCc1ccc(C[N@H+](C(C)C)C2CCOCC2)c([O-])c1 ZINC001236789576 819594603 /nfs/dbraw/zinc/59/46/03/819594603.db2.gz YROVXIGTBBXNTO-UHFFFAOYSA-N 0 1 277.408 3.344 20 10 CGCDMN CCc1ccc(C[N@@H+](C(C)C)C2CCOCC2)c([O-])c1 ZINC001236789576 819594607 /nfs/dbraw/zinc/59/46/07/819594607.db2.gz YROVXIGTBBXNTO-UHFFFAOYSA-N 0 1 277.408 3.344 20 10 CGCDMN COc1cc([O-])c(C[NH+]2CCC(CF)CC2)c(Cl)c1 ZINC001236801390 819600318 /nfs/dbraw/zinc/60/03/18/819600318.db2.gz DPQBKVWOQYLFTJ-UHFFFAOYSA-N 0 1 287.762 3.236 20 10 CGCDMN CCO[C@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236798787 819600335 /nfs/dbraw/zinc/60/03/35/819600335.db2.gz HRFFVGNSIXBJRE-NSHDSACASA-N 0 1 299.798 3.055 20 10 CGCDMN CCO[C@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236798787 819600338 /nfs/dbraw/zinc/60/03/38/819600338.db2.gz HRFFVGNSIXBJRE-NSHDSACASA-N 0 1 299.798 3.055 20 10 CGCDMN COc1ccc(C[N@@H+](C)Cc2cncs2)c([O-])c1Cl ZINC001236809632 819603683 /nfs/dbraw/zinc/60/36/83/819603683.db2.gz NCSBTZHUPFYMPK-UHFFFAOYSA-N 0 1 298.795 3.143 20 10 CGCDMN CCOc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)OC)c(O)c1 ZINC001237041973 819648180 /nfs/dbraw/zinc/64/81/80/819648180.db2.gz BOACJVZRPHYDRT-MRXNPFEDSA-N 0 1 293.407 3.180 20 10 CGCDMN CC[N@@H+](Cc1ccc(C(C)C)cc1O)CC(C)(C)O ZINC001237049121 819653044 /nfs/dbraw/zinc/65/30/44/819653044.db2.gz LUYHBMCIUVEZOK-UHFFFAOYSA-N 0 1 265.397 3.108 20 10 CGCDMN CCC[N@H+](C)Cc1c([O-])cc(OC)cc1Br ZINC001237063486 819656932 /nfs/dbraw/zinc/65/69/32/819656932.db2.gz RGGJWRLSIHYZBT-UHFFFAOYSA-N 0 1 288.185 3.005 20 10 CGCDMN CCC[N@@H+](C)Cc1c([O-])cc(OC)cc1Br ZINC001237063486 819656936 /nfs/dbraw/zinc/65/69/36/819656936.db2.gz RGGJWRLSIHYZBT-UHFFFAOYSA-N 0 1 288.185 3.005 20 10 CGCDMN C[C@@]1(O)CCC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237081537 819662808 /nfs/dbraw/zinc/66/28/08/819662808.db2.gz LURILQFZUNNXON-CYBMUJFWSA-N 0 1 290.190 3.046 20 10 CGCDMN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001237084844 819663242 /nfs/dbraw/zinc/66/32/42/819663242.db2.gz OPBWSHAXLDSITG-PSVAKVPMSA-N 0 1 290.165 3.346 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001237120018 819671694 /nfs/dbraw/zinc/67/16/94/819671694.db2.gz HPQQRAJTPNHYTP-NXEZZACHSA-N 0 1 269.747 3.417 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001237120015 819671714 /nfs/dbraw/zinc/67/17/14/819671714.db2.gz HPQQRAJTPNHYTP-AOOOYVTPSA-N 0 1 269.747 3.417 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001237120015 819671718 /nfs/dbraw/zinc/67/17/18/819671718.db2.gz HPQQRAJTPNHYTP-AOOOYVTPSA-N 0 1 269.747 3.417 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1CCC2(CCOC2)CC1 ZINC001237121443 819673452 /nfs/dbraw/zinc/67/34/52/819673452.db2.gz NFBAVSRHWGHOQU-UHFFFAOYSA-N 0 1 299.773 3.187 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)[C@@H](C)C1 ZINC001237128547 819675701 /nfs/dbraw/zinc/67/57/01/819675701.db2.gz RKXRXWGKQSLYGG-VHSXEESVSA-N 0 1 287.762 3.184 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)[C@@H](C)C1 ZINC001237128547 819675703 /nfs/dbraw/zinc/67/57/03/819675703.db2.gz RKXRXWGKQSLYGG-VHSXEESVSA-N 0 1 287.762 3.184 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCc2cccnc2C1 ZINC001237621613 819789365 /nfs/dbraw/zinc/78/93/65/819789365.db2.gz DBYFEMIRUIMUTL-UHFFFAOYSA-N 0 1 292.741 3.138 20 10 CGCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001237800766 819845357 /nfs/dbraw/zinc/84/53/57/819845357.db2.gz BCUIMZBLGDLLQN-IINYFYTJSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237939302 819886987 /nfs/dbraw/zinc/88/69/87/819886987.db2.gz AQAYLYMRHMOJLA-PELKAZGASA-N 0 1 255.720 3.169 20 10 CGCDMN CCN(C)c1ccc(CN2CCOC[C@H]2C2CCC2)cc1 ZINC001460291690 937524842 /nfs/dbraw/zinc/52/48/42/937524842.db2.gz LEAKSGSVIAQNRI-SFHVURJKSA-N 0 1 288.435 3.144 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000402389079 932017940 /nfs/dbraw/zinc/01/79/40/932017940.db2.gz RYWYCCAKGOXNAB-BZPMIXESSA-N 0 1 271.360 3.373 20 10 CGCDMN C[C@@H](NCc1nc2ccccc2[nH]1)c1ccc(N(C)C)cc1 ZINC000315132827 932030869 /nfs/dbraw/zinc/03/08/69/932030869.db2.gz YVOBFPWCQKYXSK-CYBMUJFWSA-N 0 1 294.402 3.480 20 10 CGCDMN CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C1(C)C ZINC001461880596 937603617 /nfs/dbraw/zinc/60/36/17/937603617.db2.gz KATBCSVIPPUXFD-GOEBONIOSA-N 0 1 299.361 3.306 20 10 CGCDMN Cc1ccc(O)c(C[NH2+]Cc2ccc(Cl)cc2[O-])c1 ZINC001462449229 937642305 /nfs/dbraw/zinc/64/23/05/937642305.db2.gz REGTYHZWFGYKAK-UHFFFAOYSA-N 0 1 277.751 3.349 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]Cc2cccnc2)c(Cl)c1 ZINC001308183191 933068001 /nfs/dbraw/zinc/06/80/01/933068001.db2.gz NFWNGDJZNOXSRH-UHFFFAOYSA-N 0 1 262.740 3.039 20 10 CGCDMN CC[C@@H](CSC)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001308747987 933169828 /nfs/dbraw/zinc/16/98/28/933169828.db2.gz QEMXDLRVZQNCHK-JTQLQIEISA-N 0 1 275.364 3.244 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1Cl ZINC001328817337 935170600 /nfs/dbraw/zinc/17/06/00/935170600.db2.gz CUHJKPTWJDFHKJ-JGPRNRPPSA-N 0 1 287.737 3.487 20 10 CGCDMN CC[C@](C)(NCc1ccc(N)cc1)c1nc(C)cs1 ZINC001334754530 936111946 /nfs/dbraw/zinc/11/19/46/936111946.db2.gz OQZFPQUFNUTTLP-HNNXBMFYSA-N 0 1 275.421 3.449 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C/C=C\C2CC2)c(Cl)c1 ZINC001474156316 937842127 /nfs/dbraw/zinc/84/21/27/937842127.db2.gz ZLVSLWSCMYAETB-IHWYPQMZSA-N 0 1 251.757 3.410 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H](CO)CC(C)C)cc1Cl ZINC001474504102 937863876 /nfs/dbraw/zinc/86/38/76/937863876.db2.gz ATONVZOZEKLWSB-CYBMUJFWSA-N 0 1 285.815 3.193 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H](CO)CC(C)C)cc1Cl ZINC001474504102 937863878 /nfs/dbraw/zinc/86/38/78/937863878.db2.gz ATONVZOZEKLWSB-CYBMUJFWSA-N 0 1 285.815 3.193 20 10 CGCDMN Cc1ncsc1CC[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474532178 937865324 /nfs/dbraw/zinc/86/53/24/937865324.db2.gz TVNOTYMLTQYHOR-UHFFFAOYSA-N 0 1 282.796 3.143 20 10 CGCDMN C[C@H](NCC(=O)c1ccccc1F)c1ccccc1O ZINC001560075103 938243013 /nfs/dbraw/zinc/24/30/13/938243013.db2.gz SHVFIFOMZURCFW-NSHDSACASA-N 0 1 273.307 3.065 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]1O ZINC001560720159 938272080 /nfs/dbraw/zinc/27/20/80/938272080.db2.gz LLXHEMNKFJLHHC-HIFRSBDPSA-N 0 1 297.826 3.275 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]1O ZINC001560720159 938272082 /nfs/dbraw/zinc/27/20/82/938272082.db2.gz LLXHEMNKFJLHHC-HIFRSBDPSA-N 0 1 297.826 3.275 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1Cl ZINC001594327026 958181879 /nfs/dbraw/zinc/18/18/79/958181879.db2.gz NIVDOIWICJXNPQ-NSHDSACASA-N 0 1 297.782 3.041 20 10 CGCDMN CC(C)C[C@H](C[NH2+]Cc1ccc(Cl)cc1O)CC(=O)[O-] ZINC001573536728 962266557 /nfs/dbraw/zinc/26/65/57/962266557.db2.gz GQOORHGHOJDVJO-NSHDSACASA-N 0 1 299.798 3.272 20 10 CGCDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1O ZINC000072629600 369829617 /nfs/dbraw/zinc/82/96/17/369829617.db2.gz HJWXVSNTDQHTOG-LBPRGKRZSA-N 0 1 286.331 3.493 20 10 CGCDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1O ZINC000072629601 369830497 /nfs/dbraw/zinc/83/04/97/369830497.db2.gz HJWXVSNTDQHTOG-GFCCVEGCSA-N 0 1 286.331 3.493 20 10 CGCDMN C[C@H](NCc1cccc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000090851833 370069358 /nfs/dbraw/zinc/06/93/58/370069358.db2.gz LBHXLXBVUJPYCL-AWEZNQCLSA-N 0 1 298.434 3.064 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000091772571 370076848 /nfs/dbraw/zinc/07/68/48/370076848.db2.gz AHIWTFORGQFGOC-NSHDSACASA-N 0 1 290.190 3.310 20 10 CGCDMN C[C@H]1Oc2ccccc2[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000288516673 371738971 /nfs/dbraw/zinc/73/89/71/371738971.db2.gz JGBLEBDBYGTITJ-FZKQIMNGSA-N 0 1 282.387 3.364 20 10 CGCDMN COC[C@]1(C)CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295135143 372693300 /nfs/dbraw/zinc/69/33/00/372693300.db2.gz PBHIHGYFKYHYHK-CQSZACIVSA-N 0 1 287.762 3.043 20 10 CGCDMN CSCC[C@@H](C)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000272212810 378586343 /nfs/dbraw/zinc/58/63/43/378586343.db2.gz AQIHBWTYXXKZSF-SNVBAGLBSA-N 0 1 257.374 3.105 20 10 CGCDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@H](CCO)c1ccccc1 ZINC000272260735 378598833 /nfs/dbraw/zinc/59/88/33/378598833.db2.gz JXPOQPXGUHTSMR-MRXNPFEDSA-N 0 1 289.350 3.087 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCc2sccc2C1 ZINC000272265554 378598919 /nfs/dbraw/zinc/59/89/19/378598919.db2.gz KQRDBNJQOOEQDU-UHFFFAOYSA-N 0 1 263.337 3.151 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000273403492 378744123 /nfs/dbraw/zinc/74/41/23/378744123.db2.gz NSTJRYGKSIBKCE-JQWIXIFHSA-N 0 1 269.772 3.265 20 10 CGCDMN C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000273622755 378758237 /nfs/dbraw/zinc/75/82/37/378758237.db2.gz ZOHQEGAJNRFTMR-GARJFASQSA-N 0 1 269.772 3.121 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000378445355 379826898 /nfs/dbraw/zinc/82/68/98/379826898.db2.gz TYEQFRANOHOLPT-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1ccc(F)cc1[O-] ZINC000285909394 380152574 /nfs/dbraw/zinc/15/25/74/380152574.db2.gz BUJRMYGBOIWDPF-BONVTDFDSA-N 0 1 291.370 3.235 20 10 CGCDMN CCN(CC)c1ccc(CNCc2cncs2)cc1 ZINC000133058707 392462866 /nfs/dbraw/zinc/46/28/66/392462866.db2.gz PUCHCRRAJZBBBL-UHFFFAOYSA-N 0 1 275.421 3.279 20 10 CGCDMN Cc1ncc(CN(C)Cc2cc(C)ccc2O)s1 ZINC000179383526 392700218 /nfs/dbraw/zinc/70/02/18/392700218.db2.gz PVRSGZNXMOHWQQ-UHFFFAOYSA-N 0 1 262.378 3.098 20 10 CGCDMN COCCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000020142343 171028603 /nfs/dbraw/zinc/02/86/03/171028603.db2.gz DGZIBMXELKFYEY-GFCCVEGCSA-N 0 1 259.349 3.233 20 10 CGCDMN C[C@@H]([NH2+]C[C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000185089745 262040799 /nfs/dbraw/zinc/04/07/99/262040799.db2.gz FAFHOTCUGOJTBD-GHMZBOCLSA-N 0 1 269.772 3.123 20 10 CGCDMN Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185348259 262051688 /nfs/dbraw/zinc/05/16/88/262051688.db2.gz SQTPUBXSOCPOES-VHSXEESVSA-N 0 1 293.798 3.499 20 10 CGCDMN CC[C@H](COC)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185503840 262057256 /nfs/dbraw/zinc/05/72/56/262057256.db2.gz UASHGQBVIOYBOX-GXSJLCMTSA-N 0 1 257.761 3.121 20 10 CGCDMN C[C@@H]([NH2+]CC(C)(C)CCO)c1cc(Cl)ccc1[O-] ZINC000185608650 262061633 /nfs/dbraw/zinc/06/16/33/262061633.db2.gz FQFGQLXYFDXRLJ-SNVBAGLBSA-N 0 1 271.788 3.105 20 10 CGCDMN C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000186075004 262078211 /nfs/dbraw/zinc/07/82/11/262078211.db2.gz RMMAHYGMPZBGOB-WDEREUQCSA-N 0 1 285.815 3.493 20 10 CGCDMN C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186512095 262096431 /nfs/dbraw/zinc/09/64/31/262096431.db2.gz OUOXLDQVJZESJJ-YGEYTSGZSA-N 0 1 269.772 3.023 20 10 CGCDMN Cc1cc([C@H]2CCCN2Cc2cc(C)ccc2O)no1 ZINC000371397239 267399220 /nfs/dbraw/zinc/39/92/20/267399220.db2.gz YSFVOFRUGRVTQJ-OAHLLOKOSA-N 0 1 272.348 3.334 20 10 CGCDMN C[C@@H]1COCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000359868156 327396206 /nfs/dbraw/zinc/39/62/06/327396206.db2.gz HGRFMGZKSHFJEO-VIFPVBQESA-N 0 1 290.190 3.167 20 10 CGCDMN CC[N@@H+](Cc1cccc(F)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000291604775 521349630 /nfs/dbraw/zinc/34/96/30/521349630.db2.gz QQSZGYOKKIGXQT-ZDUSSCGKSA-N 0 1 281.371 3.311 20 10 CGCDMN CCC(O)(CC)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000276254316 521651342 /nfs/dbraw/zinc/65/13/42/521651342.db2.gz RHOZCAQHYOKKOM-UHFFFAOYSA-N 0 1 271.788 3.076 20 10 CGCDMN COC[C@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000045656369 522581023 /nfs/dbraw/zinc/58/10/23/522581023.db2.gz KGSZWCSBWMJYIW-CHWSQXEVSA-N 0 1 273.376 3.479 20 10 CGCDMN CCc1noc(C)c1C[NH2+]Cc1c([O-])cccc1Cl ZINC000293113221 522841716 /nfs/dbraw/zinc/84/17/16/522841716.db2.gz YQVPVQFREBSWTR-UHFFFAOYSA-N 0 1 280.755 3.194 20 10 CGCDMN CCc1noc(C)c1CNCc1c(O)cccc1Cl ZINC000293113221 522841725 /nfs/dbraw/zinc/84/17/25/522841725.db2.gz YQVPVQFREBSWTR-UHFFFAOYSA-N 0 1 280.755 3.194 20 10 CGCDMN COCc1nc(CN[C@@H](C)c2cc(C)ccc2O)cs1 ZINC000289659625 523202931 /nfs/dbraw/zinc/20/29/31/523202931.db2.gz GQIXZUAOMHDHGX-NSHDSACASA-N 0 1 292.404 3.154 20 10 CGCDMN CO[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289570283 523878442 /nfs/dbraw/zinc/87/84/42/523878442.db2.gz JMWIWXNHBPVQGD-MRVPVSSYSA-N 0 1 278.179 3.166 20 10 CGCDMN CSC[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000292728206 525707954 /nfs/dbraw/zinc/70/79/54/525707954.db2.gz FZCDISNFRNDVCE-NSHDSACASA-N 0 1 269.385 3.106 20 10 CGCDMN Cc1nnc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000289661813 526330232 /nfs/dbraw/zinc/33/02/32/526330232.db2.gz GUDKDCXKICTHAM-QMMMGPOBSA-N 0 1 297.811 3.099 20 10 CGCDMN Cc1noc(CN(Cc2ccccc2O)C2CCCC2)n1 ZINC000731847859 572429234 /nfs/dbraw/zinc/42/92/34/572429234.db2.gz PQRMNPXBZVCXQP-UHFFFAOYSA-N 0 1 287.363 3.028 20 10 CGCDMN C[C@H](O)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000733325664 572556409 /nfs/dbraw/zinc/55/64/09/572556409.db2.gz RWHHVEXSSRPTML-NSHDSACASA-N 0 1 291.778 3.389 20 10 CGCDMN Cc1cc(CNCc2ccc3c(c2)CCO3)c(C)o1 ZINC000734003533 572622810 /nfs/dbraw/zinc/62/28/10/572622810.db2.gz NGDUQIHJCPUUPW-UHFFFAOYSA-N 0 1 257.333 3.121 20 10 CGCDMN Cc1nonc1CN(Cc1ccccc1O)C1CCCC1 ZINC000734149890 572632100 /nfs/dbraw/zinc/63/21/00/572632100.db2.gz VULGUDZAJHOYSK-UHFFFAOYSA-N 0 1 287.363 3.028 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C)S1 ZINC000743376733 572655536 /nfs/dbraw/zinc/65/55/36/572655536.db2.gz URHIAXFXNRBJDA-TXEJJXNPSA-N 0 1 288.416 3.266 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C)S1 ZINC000743376733 572655541 /nfs/dbraw/zinc/65/55/41/572655541.db2.gz URHIAXFXNRBJDA-TXEJJXNPSA-N 0 1 288.416 3.266 20 10 CGCDMN CCCC[C@H](C(=O)OC)N(CCC)Cc1ccccc1O ZINC000743870585 572695064 /nfs/dbraw/zinc/69/50/64/572695064.db2.gz YEOHTVLXLVCOIX-OAHLLOKOSA-N 0 1 293.407 3.336 20 10 CGCDMN C[C@H]1C[C@H](C)[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736754841 572808893 /nfs/dbraw/zinc/80/88/93/572808893.db2.gz GZBZQYHKOOUEGD-RYUDHWBXSA-N 0 1 299.370 3.474 20 10 CGCDMN CCOc1ccc(CN(C)Cc2ccccc2O)o1 ZINC000891713681 618253750 /nfs/dbraw/zinc/25/37/50/618253750.db2.gz KBUZWPRCRRTMTR-UHFFFAOYSA-N 0 1 261.321 3.016 20 10 CGCDMN COc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)c(O)c1OC ZINC000892066791 618515228 /nfs/dbraw/zinc/51/52/28/618515228.db2.gz HRDLBISOASKGJJ-RYUDHWBXSA-N 0 1 279.380 3.030 20 10 CGCDMN C[C@H](NCc1cncs1)c1ccc(N(C)C)cc1 ZINC000168897417 618914262 /nfs/dbraw/zinc/91/42/62/618914262.db2.gz IOJHYSBZIDTCNO-NSHDSACASA-N 0 1 261.394 3.060 20 10 CGCDMN CC(C)[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163754753 619223037 /nfs/dbraw/zinc/22/30/37/619223037.db2.gz RLNGEZGBVGYMJQ-VIFPVBQESA-N 0 1 272.186 3.289 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000894002609 619349291 /nfs/dbraw/zinc/34/92/91/619349291.db2.gz SXUXKOXMIFHMGE-ZDUSSCGKSA-N 0 1 253.292 3.045 20 10 CGCDMN CC(C)C[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])N(C)C ZINC000020201566 619769538 /nfs/dbraw/zinc/76/95/38/619769538.db2.gz UKDMVPSYYJKXRO-CQSZACIVSA-N 0 1 284.831 3.112 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895844424 619892620 /nfs/dbraw/zinc/89/26/20/619892620.db2.gz FOTGYTBAMMZKMT-BMIGLBTASA-N 0 1 299.773 3.186 20 10 CGCDMN Cc1ccc(O)c(CN2CCS[C@@H](C(F)(F)F)C2)c1 ZINC000896456007 620011574 /nfs/dbraw/zinc/01/15/74/620011574.db2.gz NGWPBIQUQIBVEL-GFCCVEGCSA-N 0 1 291.338 3.180 20 10 CGCDMN Oc1c(CNc2cnn(C3CCC3)c2)ccc(F)c1F ZINC000897878471 620442650 /nfs/dbraw/zinc/44/26/50/620442650.db2.gz FLYSJGPHXBIOIY-UHFFFAOYSA-N 0 1 279.290 3.204 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160678 620484622 /nfs/dbraw/zinc/48/46/22/620484622.db2.gz OTMQDHWSEWROPP-UHFFFAOYSA-N 0 1 277.751 3.313 20 10 CGCDMN C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1ccc(Cl)cc1[O-] ZINC000903441236 621750482 /nfs/dbraw/zinc/75/04/82/621750482.db2.gz ZYFBTEJRZZFBJQ-CUOATXAZSA-N 0 1 281.783 3.121 20 10 CGCDMN COc1cccc(CC[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000227437864 623019508 /nfs/dbraw/zinc/01/95/08/623019508.db2.gz RXVLAQWIGIOPLQ-UHFFFAOYSA-N 0 1 291.778 3.387 20 10 CGCDMN Cc1ccc(O)c(CNCc2c(Cl)n[nH]c2C2CC2)c1 ZINC000922286427 625993315 /nfs/dbraw/zinc/99/33/15/625993315.db2.gz XSCCRUPUBSTNRE-UHFFFAOYSA-N 0 1 291.782 3.244 20 10 CGCDMN C[C@@H]1C[NH+](Cc2c([O-])ccc3ccncc32)C[C@H]1C ZINC000751930829 626412030 /nfs/dbraw/zinc/41/20/30/626412030.db2.gz UXDCTYAQDLZEQA-VXGBXAGGSA-N 0 1 256.349 3.028 20 10 CGCDMN COc1cc(C)cc(CN2CCOc3ccccc3C2)c1O ZINC000754726983 626584989 /nfs/dbraw/zinc/58/49/89/626584989.db2.gz CVJYXBFHAZNBIG-UHFFFAOYSA-N 0 1 299.370 3.104 20 10 CGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCC1 ZINC000805085406 626637648 /nfs/dbraw/zinc/63/76/48/626637648.db2.gz IJVIGRMJYFIUGY-UHFFFAOYSA-N 0 1 289.162 3.051 20 10 CGCDMN C[C@@H](NCc1cn2ccccc2n1)c1cc(F)ccc1O ZINC000756363633 626696993 /nfs/dbraw/zinc/69/69/93/626696993.db2.gz QACCPIWJIOPKTH-LLVKDONJSA-N 0 1 285.322 3.030 20 10 CGCDMN C[C@H]([NH2+]Cc1ccccc1CO)c1cc(Cl)ccc1[O-] ZINC000756459396 626707061 /nfs/dbraw/zinc/70/70/61/626707061.db2.gz NWLQZBIRNFQNSG-NSHDSACASA-N 0 1 291.778 3.389 20 10 CGCDMN Cc1ccc([C@@H](C)NCc2cscn2)c(O)c1C ZINC000756507065 626710636 /nfs/dbraw/zinc/71/06/36/626710636.db2.gz ADFQTYPWFWGRGY-LLVKDONJSA-N 0 1 262.378 3.316 20 10 CGCDMN CCc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])[nH]n1 ZINC000756570343 626716206 /nfs/dbraw/zinc/71/62/06/626716206.db2.gz AQXVQRYJNCLLEC-VIFPVBQESA-N 0 1 279.771 3.182 20 10 CGCDMN Cc1noc(CCC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000756684031 626726752 /nfs/dbraw/zinc/72/67/52/626726752.db2.gz JNYQKXUMVHZGTE-SECBINFHSA-N 0 1 295.770 3.020 20 10 CGCDMN C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000756775054 626731562 /nfs/dbraw/zinc/73/15/62/626731562.db2.gz HDUYVLURPCDCME-APPZFPTMSA-N 0 1 297.704 3.010 20 10 CGCDMN C[C@@H](Nc1cnn(-c2ccncc2)c1)c1cc(F)ccc1O ZINC000756867301 626738557 /nfs/dbraw/zinc/73/85/57/626738557.db2.gz IDSCEFVCYUZHHJ-LLVKDONJSA-N 0 1 298.321 3.285 20 10 CGCDMN CCN(CC)c1ccc(CNCc2ccc(F)cn2)cc1 ZINC000763517795 627162403 /nfs/dbraw/zinc/16/24/03/627162403.db2.gz HDTICFAWXCLBJJ-UHFFFAOYSA-N 0 1 287.382 3.357 20 10 CGCDMN C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCO[C@@H]1C1CC1 ZINC000767195640 627389232 /nfs/dbraw/zinc/38/92/32/627389232.db2.gz OLAAGLUFSQXNOL-HZPDHXFCSA-N 0 1 295.810 3.340 20 10 CGCDMN C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768143859 627463085 /nfs/dbraw/zinc/46/30/85/627463085.db2.gz PTNFPQJNPQBFII-SECBINFHSA-N 0 1 284.743 3.328 20 10 CGCDMN CCC[C@H]1CN(Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000768466243 627481150 /nfs/dbraw/zinc/48/11/50/627481150.db2.gz WHLIHNDVEASLKZ-KRWDZBQOSA-N 0 1 289.419 3.272 20 10 CGCDMN CC(C)(C)[N@@H+]1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000769188944 627530684 /nfs/dbraw/zinc/53/06/84/627530684.db2.gz SNRWLGGRCBKAEB-UHFFFAOYSA-N 0 1 296.842 3.352 20 10 CGCDMN CC(C)(C)[N@H+]1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000769188944 627530688 /nfs/dbraw/zinc/53/06/88/627530688.db2.gz SNRWLGGRCBKAEB-UHFFFAOYSA-N 0 1 296.842 3.352 20 10 CGCDMN CN(C)c1ccc(CN2CCOC3(CCCCC3)C2)cc1 ZINC000769492657 627559983 /nfs/dbraw/zinc/55/99/83/627559983.db2.gz LMNTULBULDAJJZ-UHFFFAOYSA-N 0 1 288.435 3.288 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000770371935 627615521 /nfs/dbraw/zinc/61/55/21/627615521.db2.gz CVUZBJLOOAXMHU-CHWSQXEVSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000770371935 627615524 /nfs/dbraw/zinc/61/55/24/627615524.db2.gz CVUZBJLOOAXMHU-CHWSQXEVSA-N 0 1 295.810 3.294 20 10 CGCDMN CSc1cc(C[NH2+]Cc2c([O-])cccc2Cl)ccn1 ZINC000771880273 627739536 /nfs/dbraw/zinc/73/95/36/627739536.db2.gz DYWKNZLTCNZUDV-UHFFFAOYSA-N 0 1 294.807 3.452 20 10 CGCDMN CCN(CC)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000772597860 627805428 /nfs/dbraw/zinc/80/54/28/627805428.db2.gz CRPVBKSBVBLELC-GJZGRUSLSA-N 0 1 276.424 3.142 20 10 CGCDMN CC[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000775493515 628100098 /nfs/dbraw/zinc/10/00/98/628100098.db2.gz UNBOBMMURKASSV-TZMCWYRMSA-N 0 1 282.815 3.181 20 10 CGCDMN CC[C@@H]([NH2+][C@H](C)Cn1cccn1)c1cc(Cl)ccc1[O-] ZINC000775519121 628103468 /nfs/dbraw/zinc/10/34/68/628103468.db2.gz IRGNPPBKSSRSDK-BXUZGUMPSA-N 0 1 293.798 3.372 20 10 CGCDMN CC[C@H]([NH2+][C@@H](CCO)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775526876 628104356 /nfs/dbraw/zinc/10/43/56/628104356.db2.gz MUCFXNAWTRVERD-KBPBESRZSA-N 0 1 283.799 3.247 20 10 CGCDMN COc1ccnc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775832727 628140213 /nfs/dbraw/zinc/14/02/13/628140213.db2.gz AUTAJZSRJVBKJV-ZDUSSCGKSA-N 0 1 285.391 3.007 20 10 CGCDMN CN(C)c1ccc(CN2CCc3cc(F)ccc3C2)cc1 ZINC000779598464 628417626 /nfs/dbraw/zinc/41/76/26/628417626.db2.gz JDZIRBOCVHBJSF-UHFFFAOYSA-N 0 1 284.378 3.450 20 10 CGCDMN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000785988323 628905629 /nfs/dbraw/zinc/90/56/29/628905629.db2.gz LDHGCYRJTZTLAG-GYSYKLTISA-N 0 1 283.799 3.027 20 10 CGCDMN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000785988323 628905631 /nfs/dbraw/zinc/90/56/31/628905631.db2.gz LDHGCYRJTZTLAG-GYSYKLTISA-N 0 1 283.799 3.027 20 10 CGCDMN CO[C@@H](C)C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C(C)C ZINC000792166508 629342297 /nfs/dbraw/zinc/34/22/97/629342297.db2.gz SCXQEZXEFRULIE-JTQLQIEISA-N 0 1 289.778 3.430 20 10 CGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])CC1(C)COC1 ZINC000862479185 629385011 /nfs/dbraw/zinc/38/50/11/629385011.db2.gz GCNPXFZZHOVEDL-UHFFFAOYSA-N 0 1 271.360 3.014 20 10 CGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])CC1(C)COC1 ZINC000862479185 629385021 /nfs/dbraw/zinc/38/50/21/629385021.db2.gz GCNPXFZZHOVEDL-UHFFFAOYSA-N 0 1 271.360 3.014 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]Cc2cccnc2C)cc1Cl ZINC000862498886 629389765 /nfs/dbraw/zinc/38/97/65/629389765.db2.gz CIWCVEGSOYVNID-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN C[S@](=O)c1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864027103 629730784 /nfs/dbraw/zinc/73/07/84/629730784.db2.gz SEMUZCXOTISCMP-FQEVSTJZSA-N 0 1 297.326 3.020 20 10 CGCDMN COCC1(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000800493097 630287834 /nfs/dbraw/zinc/28/78/34/630287834.db2.gz JFSKGMNLQNQXOZ-WCQYABFASA-N 0 1 293.382 3.486 20 10 CGCDMN CCN(Cc1ccns1)Cc1ccc(N(C)C)cc1 ZINC000876522611 634851173 /nfs/dbraw/zinc/85/11/73/634851173.db2.gz XEZFVDMHSQFLMB-UHFFFAOYSA-N 0 1 275.421 3.231 20 10 CGCDMN CCN(CC)c1ccc(CN[C@@H](C)CF)cc1F ZINC000814299412 631569570 /nfs/dbraw/zinc/56/95/70/631569570.db2.gz JQTPWTFNBRRWOD-NSHDSACASA-N 0 1 256.340 3.120 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CC3CCC2CC3)c1[O-] ZINC000814652322 631618052 /nfs/dbraw/zinc/61/80/52/631618052.db2.gz WTCIQXBHIABHMD-PPUFBPAQSA-N 0 1 291.366 3.402 20 10 CGCDMN Cc1noc(C)c1CN(C)Cc1ccc(N(C)C)c(C)c1 ZINC000815015589 631703460 /nfs/dbraw/zinc/70/34/60/631703460.db2.gz MWBSZKBVUUMIHX-UHFFFAOYSA-N 0 1 287.407 3.298 20 10 CGCDMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(N(C)C)c(C)c1 ZINC000815017117 631703952 /nfs/dbraw/zinc/70/39/52/631703952.db2.gz GJZCJFVYBDHYGL-GDBMZVCRSA-N 0 1 276.424 3.060 20 10 CGCDMN CCN(C)c1ccc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)cc1 ZINC000815102647 631718045 /nfs/dbraw/zinc/71/80/45/631718045.db2.gz LDLHZHOHEDMIPK-KSSFIOAISA-N 0 1 288.435 3.142 20 10 CGCDMN COc1ccc(F)c(CNCc2ccc3c(c2)CCO3)c1 ZINC000815121621 631721011 /nfs/dbraw/zinc/72/10/11/631721011.db2.gz AACWULXIFFBRQP-UHFFFAOYSA-N 0 1 287.334 3.059 20 10 CGCDMN CC1(C)CCC[C@]1(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000815146754 631730123 /nfs/dbraw/zinc/73/01/23/631730123.db2.gz KSLMFFVVJNAUGD-HNNXBMFYSA-N 0 1 283.799 3.076 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000816484837 631989683 /nfs/dbraw/zinc/98/96/83/631989683.db2.gz QCOXLFYMWDUDBS-JTQLQIEISA-N 0 1 299.773 3.186 20 10 CGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@@H]1CCOC1 ZINC000816519048 632001905 /nfs/dbraw/zinc/00/19/05/632001905.db2.gz WNQJDUINJUTRLF-ZDUSSCGKSA-N 0 1 271.360 3.014 20 10 CGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@@H]1CCOC1 ZINC000816519048 632001913 /nfs/dbraw/zinc/00/19/13/632001913.db2.gz WNQJDUINJUTRLF-ZDUSSCGKSA-N 0 1 271.360 3.014 20 10 CGCDMN CCN(CC)[C@H](C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816532532 632006023 /nfs/dbraw/zinc/00/60/23/632006023.db2.gz LJULXHJTSGZWMP-CQSZACIVSA-N 0 1 286.419 3.365 20 10 CGCDMN Cn1cc(CCC[NH2+]Cc2ccc3ccccc3c2[O-])cn1 ZINC000816545480 632007769 /nfs/dbraw/zinc/00/77/69/632007769.db2.gz RZNLKIKIWXUPET-UHFFFAOYSA-N 0 1 295.386 3.001 20 10 CGCDMN C[C@]1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCOC1 ZINC000816551120 632008347 /nfs/dbraw/zinc/00/83/47/632008347.db2.gz PNYXYXNASRUYBE-QGZVFWFLSA-N 0 1 271.360 3.062 20 10 CGCDMN C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816557451 632011079 /nfs/dbraw/zinc/01/10/79/632011079.db2.gz QNNVUIPICHMEHF-ACJLOTCBSA-N 0 1 296.414 3.118 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816559019 632011502 /nfs/dbraw/zinc/01/15/02/632011502.db2.gz VAHLJFDVQVMXGD-DOMZBBRYSA-N 0 1 271.360 3.203 20 10 CGCDMN C[N@@H+](Cc1cccnc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816564404 632013359 /nfs/dbraw/zinc/01/33/59/632013359.db2.gz FCTBNYFTARXRTJ-UHFFFAOYSA-N 0 1 280.730 3.212 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@H]2CCC=CO2)ccc2ccccc21 ZINC000816584086 632017276 /nfs/dbraw/zinc/01/72/76/632017276.db2.gz BILVDWHRESYLDL-OAHLLOKOSA-N 0 1 269.344 3.328 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@@H]2CCSC2)ccc2ccccc21 ZINC000816595094 632019739 /nfs/dbraw/zinc/01/97/39/632019739.db2.gz ZBICZTRUJQFTSR-LBPRGKRZSA-N 0 1 273.401 3.388 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@H](C2CC2)O1 ZINC000816594955 632019843 /nfs/dbraw/zinc/01/98/43/632019843.db2.gz UODJGUGUPYDDTE-RFAUZJTJSA-N 0 1 299.773 3.184 20 10 CGCDMN C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000817954785 632250046 /nfs/dbraw/zinc/25/00/46/632250046.db2.gz JJSICBXKKRHAHJ-NHYWBVRUSA-N 0 1 290.794 3.396 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+](C1CC1)C1COC1 ZINC000824471938 633248385 /nfs/dbraw/zinc/24/83/85/633248385.db2.gz JQDWYQXZBQYLPM-UHFFFAOYSA-N 0 1 288.174 3.062 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+](C1CC1)C1COC1 ZINC000824471938 633248391 /nfs/dbraw/zinc/24/83/91/633248391.db2.gz JQDWYQXZBQYLPM-UHFFFAOYSA-N 0 1 288.174 3.062 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H]2CCCOC2)cc1Cl ZINC000824719690 633279091 /nfs/dbraw/zinc/27/90/91/633279091.db2.gz GODXJFSASDKGRL-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCCOC2)cc1Cl ZINC000824719690 633279121 /nfs/dbraw/zinc/27/91/21/633279121.db2.gz GODXJFSASDKGRL-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133717 633331399 /nfs/dbraw/zinc/33/13/99/633331399.db2.gz LTEFTCCDHRUVRW-HNNXBMFYSA-N 0 1 299.773 3.187 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2nccs2)cc1Cl ZINC000825173438 633333616 /nfs/dbraw/zinc/33/36/16/633333616.db2.gz LZOHIJFEVKINGZ-UHFFFAOYSA-N 0 1 282.796 3.143 20 10 CGCDMN COCC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCCC1 ZINC000825245874 633338950 /nfs/dbraw/zinc/33/89/50/633338950.db2.gz SWWMNAKORXSXGX-UHFFFAOYSA-N 0 1 283.799 3.342 20 10 CGCDMN COC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000825294692 633342152 /nfs/dbraw/zinc/34/21/52/633342152.db2.gz WRLMGFLUOOSESN-JTQLQIEISA-N 0 1 287.762 3.186 20 10 CGCDMN CC[C@H](COC)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000825297776 633343475 /nfs/dbraw/zinc/34/34/75/633343475.db2.gz MZTXQYPRAQFWPV-CQSZACIVSA-N 0 1 259.349 3.060 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)Cc2ccncc2)cc1Cl ZINC000825327038 633346077 /nfs/dbraw/zinc/34/60/77/633346077.db2.gz UPQNIAVCLKYZLX-LBPRGKRZSA-N 0 1 290.794 3.470 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CCc2ccncc2)cc1Cl ZINC000825502616 633358160 /nfs/dbraw/zinc/35/81/60/633358160.db2.gz ZKMWEZNWADORPR-UHFFFAOYSA-N 0 1 290.794 3.424 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CCc2ccncc2)cc1Cl ZINC000825502616 633358163 /nfs/dbraw/zinc/35/81/63/633358163.db2.gz ZKMWEZNWADORPR-UHFFFAOYSA-N 0 1 290.794 3.424 20 10 CGCDMN CCC(O)(CC)CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825666090 633371824 /nfs/dbraw/zinc/37/18/24/633371824.db2.gz GWOPXEAJAVYINL-UHFFFAOYSA-N 0 1 285.815 3.385 20 10 CGCDMN CCOCC(C)(C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826011190 633396731 /nfs/dbraw/zinc/39/67/31/633396731.db2.gz AEBXIDLEDFVTJJ-UHFFFAOYSA-N 0 1 271.788 3.259 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCOC2(C)C)cc1Cl ZINC000826043902 633400447 /nfs/dbraw/zinc/40/04/47/633400447.db2.gz VFLLVABQRMVDIL-ZDUSSCGKSA-N 0 1 269.772 3.011 20 10 CGCDMN Cc1cccnc1CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826062188 633401909 /nfs/dbraw/zinc/40/19/09/633401909.db2.gz MYNUHCINJVUVCD-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@H]1C ZINC000826063016 633402040 /nfs/dbraw/zinc/40/20/40/633402040.db2.gz ZTPJZCJQADSTEV-ABAIWWIYSA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@H]1C ZINC000826063016 633402043 /nfs/dbraw/zinc/40/20/43/633402043.db2.gz ZTPJZCJQADSTEV-ABAIWWIYSA-N 0 1 283.799 3.211 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)ccc2ccccc21 ZINC000827601735 633501902 /nfs/dbraw/zinc/50/19/02/633501902.db2.gz HSACGHRXAWOCFF-HZPDHXFCSA-N 0 1 283.371 3.014 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@@H]3COC[C@H]3C2)ccc2ccccc21 ZINC000827601735 633501932 /nfs/dbraw/zinc/50/19/32/633501932.db2.gz HSACGHRXAWOCFF-HZPDHXFCSA-N 0 1 283.371 3.014 20 10 CGCDMN C[C@@H]1C[C@H](N[C@@H]2CCn3ccnc32)c2c1c(F)ccc2O ZINC000834832874 634251638 /nfs/dbraw/zinc/25/16/38/634251638.db2.gz SIUXNGUGIYKSBU-JLLWLGSASA-N 0 1 287.338 3.011 20 10 CGCDMN C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1cc(F)ccc1O ZINC000834893849 634271349 /nfs/dbraw/zinc/27/13/49/634271349.db2.gz HITZZAKFQWABOG-GBIKHYSHSA-N 0 1 275.327 3.084 20 10 CGCDMN CCn1ccnc1[C@@H](C)N[C@H](C)c1ccccc1O ZINC000834894800 634272337 /nfs/dbraw/zinc/27/23/37/634272337.db2.gz MGRQFQFJBYZTRZ-VXGBXAGGSA-N 0 1 259.353 3.020 20 10 CGCDMN CCn1ccnc1[C@H](C)N[C@H](C)c1ccc(C)cc1O ZINC000834896107 634273491 /nfs/dbraw/zinc/27/34/91/634273491.db2.gz UQCLXWGABYYASF-OLZOCXBDSA-N 0 1 273.380 3.329 20 10 CGCDMN CC[C@@H](NCc1ncccc1OC)c1ccc(N(C)C)cc1 ZINC000834904989 634280896 /nfs/dbraw/zinc/28/08/96/634280896.db2.gz DNBRQRRXCXDXAT-MRXNPFEDSA-N 0 1 299.418 3.397 20 10 CGCDMN CCn1ccnc1[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835055037 634338875 /nfs/dbraw/zinc/33/88/75/634338875.db2.gz PDWLRZDQDWPBIN-IDTUSYRASA-N 0 1 298.434 3.333 20 10 CGCDMN CCn1ccnc1[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835055040 634338890 /nfs/dbraw/zinc/33/88/90/634338890.db2.gz PDWLRZDQDWPBIN-XHPSBEMXSA-N 0 1 298.434 3.333 20 10 CGCDMN COCC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000840835735 635061015 /nfs/dbraw/zinc/06/10/15/635061015.db2.gz PDZOFLICKUYBID-DMDPSCGWSA-N 0 1 281.371 3.342 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCC1(F)F ZINC000877540305 635080040 /nfs/dbraw/zinc/08/00/40/635080040.db2.gz WBLRWTJHKPJKOB-QMMMGPOBSA-N 0 1 277.261 3.148 20 10 CGCDMN [O-]c1c(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)ccc(F)c1F ZINC000877568593 635095429 /nfs/dbraw/zinc/09/54/29/635095429.db2.gz SALMFLDTXIUQSK-DOMZBBRYSA-N 0 1 279.330 3.291 20 10 CGCDMN C[C@@H]1[C@H](C)C[N@H+](Cc2c([O-])ccc3ccncc32)[C@H]1C ZINC000841690684 635212681 /nfs/dbraw/zinc/21/26/81/635212681.db2.gz MWIGNFRQOIGYGI-UPJWGTAASA-N 0 1 270.376 3.417 20 10 CGCDMN C[C@@H]1[C@H](C)C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H]1C ZINC000841690684 635212686 /nfs/dbraw/zinc/21/26/86/635212686.db2.gz MWIGNFRQOIGYGI-UPJWGTAASA-N 0 1 270.376 3.417 20 10 CGCDMN C[C@@H](NCc1nccs1)c1ccc(Cl)cc1O ZINC000841745232 635221668 /nfs/dbraw/zinc/22/16/68/635221668.db2.gz OJMUJGXTQZPYCI-MRVPVSSYSA-N 0 1 268.769 3.353 20 10 CGCDMN C[C@@H]([NH2+]Cc1nccs1)c1ccc(Cl)cc1[O-] ZINC000841745232 635221671 /nfs/dbraw/zinc/22/16/71/635221671.db2.gz OJMUJGXTQZPYCI-MRVPVSSYSA-N 0 1 268.769 3.353 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(Cl)cc1[O-] ZINC000841755568 635229887 /nfs/dbraw/zinc/22/98/87/635229887.db2.gz JIDPILAEEBZZIY-NOZJJQNGSA-N 0 1 269.772 3.264 20 10 CGCDMN C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841758498 635230875 /nfs/dbraw/zinc/23/08/75/635230875.db2.gz MFQXPUCICQILNR-MDZLAQPJSA-N 0 1 294.826 3.321 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])[C@H](O)C(F)F ZINC000841758973 635231419 /nfs/dbraw/zinc/23/14/19/635231419.db2.gz WIYIDZPNDJRIFV-VHRDEZTHSA-N 0 1 293.741 3.101 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000843419694 635664436 /nfs/dbraw/zinc/66/44/36/635664436.db2.gz PTKNYJUCQZLNHR-ZDUSSCGKSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000843419694 635664449 /nfs/dbraw/zinc/66/44/49/635664449.db2.gz PTKNYJUCQZLNHR-ZDUSSCGKSA-N 0 1 288.778 3.430 20 10 CGCDMN C[C@H]1CN(Cc2c(O)cccc2Cl)CC2(CCC2)O1 ZINC000843432721 635674493 /nfs/dbraw/zinc/67/44/93/635674493.db2.gz OIZNJUYIADMNIU-NSHDSACASA-N 0 1 281.783 3.189 20 10 CGCDMN C[C@H]1CC2(C[N@H+]1Cc1cccc(Cl)c1[O-])CCOCC2 ZINC000843432611 635674657 /nfs/dbraw/zinc/67/46/57/635674657.db2.gz ZPZPSXAMQHYFLY-LBPRGKRZSA-N 0 1 295.810 3.437 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+]C2(C3CCC3)CC2)c1[O-] ZINC000844419661 635895423 /nfs/dbraw/zinc/89/54/23/635895423.db2.gz PFHFEOLMGYOZTG-UHFFFAOYSA-N 0 1 277.339 3.156 20 10 CGCDMN [O-]c1c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)ccc2ccccc21 ZINC000846114401 636146077 /nfs/dbraw/zinc/14/60/77/636146077.db2.gz VJFWZYQNDHDGMU-OKILXGFUSA-N 0 1 275.298 3.242 20 10 CGCDMN [O-]c1c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)ccc2ccccc21 ZINC000846114401 636146078 /nfs/dbraw/zinc/14/60/78/636146078.db2.gz VJFWZYQNDHDGMU-OKILXGFUSA-N 0 1 275.298 3.242 20 10 CGCDMN C[C@H]([NH2+]CC1(CO)CCCCC1)c1cc(F)ccc1[O-] ZINC000130826778 636517848 /nfs/dbraw/zinc/51/78/48/636517848.db2.gz IVWITYBKYQGWJV-LBPRGKRZSA-N 0 1 281.371 3.125 20 10 CGCDMN CCc1cccc(CN[C@@H](C)c2c(F)cncc2F)c1O ZINC000848910482 636686450 /nfs/dbraw/zinc/68/64/50/636686450.db2.gz KBVOJYSHZSBOMR-JTQLQIEISA-N 0 1 292.329 3.479 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C1CCC2(COC2)CC1 ZINC000883390929 636734212 /nfs/dbraw/zinc/73/42/12/636734212.db2.gz XTCFSRKEVPRWIT-UHFFFAOYSA-N 0 1 281.783 3.094 20 10 CGCDMN O=[N+]([O-])c1ccc(Cl)c(CNCc2ccccc2O)c1 ZINC000134236014 637008633 /nfs/dbraw/zinc/00/86/33/637008633.db2.gz RKNIYKSVGKBDBL-UHFFFAOYSA-N 0 1 292.722 3.244 20 10 CGCDMN CC(C)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134902234 637050304 /nfs/dbraw/zinc/05/03/04/637050304.db2.gz LXPXWEXTSOWGPH-VIFPVBQESA-N 0 1 272.186 3.461 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000850483407 637086400 /nfs/dbraw/zinc/08/64/00/637086400.db2.gz XEUWLKTWAKGUFH-KOLCDFICSA-N 0 1 269.772 3.264 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cc(Cl)ccc1[O-] ZINC000850547813 637116921 /nfs/dbraw/zinc/11/69/21/637116921.db2.gz XAHRUKPYLZRETM-NWANDNLSSA-N 0 1 295.810 3.390 20 10 CGCDMN C[C@@H](N[C@@H](C)c1cc(Cl)ccc1O)c1nccn1C ZINC000850572193 637129447 /nfs/dbraw/zinc/12/94/47/637129447.db2.gz HXHUAWZHMVRBLJ-VHSXEESVSA-N 0 1 279.771 3.191 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@]12CCOC2 ZINC000886027860 637374061 /nfs/dbraw/zinc/37/40/61/637374061.db2.gz JPUAWOFVMSXKCQ-DOTOQJQBSA-N 0 1 275.392 3.031 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@]12CCOC2 ZINC000886027860 637374065 /nfs/dbraw/zinc/37/40/65/637374065.db2.gz JPUAWOFVMSXKCQ-DOTOQJQBSA-N 0 1 275.392 3.031 20 10 CGCDMN CCc1nocc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000851949471 637556759 /nfs/dbraw/zinc/55/67/59/637556759.db2.gz FEEZEPDFZBSCCK-GFCCVEGCSA-N 0 1 273.380 3.154 20 10 CGCDMN C[C@@H](NCc1cc(C2CC2)no1)c1ccc(N(C)C)cc1 ZINC000851952176 637557806 /nfs/dbraw/zinc/55/78/06/637557806.db2.gz URLOQPPSRUNGPQ-GFCCVEGCSA-N 0 1 285.391 3.469 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CC(CC2CC2)C1 ZINC000857066709 638448613 /nfs/dbraw/zinc/44/86/13/638448613.db2.gz SIYRRUWLZOMFBM-UHFFFAOYSA-N 0 1 251.757 3.278 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000858547734 638759330 /nfs/dbraw/zinc/75/93/30/638759330.db2.gz OAZWZLSJYTXLTN-ONENECBXSA-N 0 1 281.783 3.264 20 10 CGCDMN CC[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1cc(Cl)ccc1[O-] ZINC000858562360 638761755 /nfs/dbraw/zinc/76/17/55/638761755.db2.gz BRWDQFMIWGOWMQ-CYBMUJFWSA-N 0 1 292.766 3.387 20 10 CGCDMN CC[C@@H](NCc1csc(N(C)C)n1)c1ccccc1O ZINC000156189788 639968748 /nfs/dbraw/zinc/96/87/48/639968748.db2.gz HSDMZFSKBHYCAC-CYBMUJFWSA-N 0 1 291.420 3.156 20 10 CGCDMN CSCCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000076764916 640214183 /nfs/dbraw/zinc/21/41/83/640214183.db2.gz HUTBHDSCXWTHBS-UHFFFAOYSA-N 0 1 259.802 3.278 20 10 CGCDMN COc1cccc(Cl)c1CNCc1cc(F)ccc1O ZINC000191615460 640322527 /nfs/dbraw/zinc/32/25/27/640322527.db2.gz ZLQCINBLFBPGRP-UHFFFAOYSA-N 0 1 295.741 3.483 20 10 CGCDMN CC[N@H+](Cc1ccccc1[O-])C1CCC(OC)CC1 ZINC001255462781 806645410 /nfs/dbraw/zinc/64/54/10/806645410.db2.gz AANHEHFKPPUUFH-UHFFFAOYSA-N 0 1 263.381 3.172 20 10 CGCDMN CC[N@@H+](Cc1ccccc1[O-])C1CCC(OC)CC1 ZINC001255462781 806645412 /nfs/dbraw/zinc/64/54/12/806645412.db2.gz AANHEHFKPPUUFH-UHFFFAOYSA-N 0 1 263.381 3.172 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000314594792 799234507 /nfs/dbraw/zinc/23/45/07/799234507.db2.gz CBUHYUXOJBHHIQ-UKRRQHHQSA-N 0 1 296.414 3.433 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[O-] ZINC000380370012 799362105 /nfs/dbraw/zinc/36/21/05/799362105.db2.gz SJBQZRVUXYUKSA-OKILXGFUSA-N 0 1 293.794 3.336 20 10 CGCDMN CN(C)c1ccc(CNCc2cccc(O)c2Cl)cc1 ZINC000380847952 799368225 /nfs/dbraw/zinc/36/82/25/799368225.db2.gz RRBFKEDCEMOMLA-UHFFFAOYSA-N 0 1 290.794 3.401 20 10 CGCDMN CS[C@@H]1CC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000381540229 799382070 /nfs/dbraw/zinc/38/20/70/799382070.db2.gz HKCGLTNZXXEKQI-ZYHUDNBSSA-N 0 1 257.786 3.029 20 10 CGCDMN Cc1csc([C@H](C)N[C@@H]2CCc3cccc(O)c32)n1 ZINC000389192473 799460732 /nfs/dbraw/zinc/46/07/32/799460732.db2.gz ORTLNUSFXHIZPX-CMPLNLGQSA-N 0 1 274.389 3.495 20 10 CGCDMN C[C@H]([NH2+]CCc1cnccn1)c1ccc2ccccc2c1[O-] ZINC000390209939 799469516 /nfs/dbraw/zinc/46/95/16/799469516.db2.gz NTTQXSGTDCWUMF-ZDUSSCGKSA-N 0 1 293.370 3.229 20 10 CGCDMN CCN(CC)c1ccc(CNCc2cnc(C)o2)cc1 ZINC000398020570 799525791 /nfs/dbraw/zinc/52/57/91/799525791.db2.gz VGXRBOGUGHRDRR-UHFFFAOYSA-N 0 1 273.380 3.119 20 10 CGCDMN CCOc1cccc(CN2C[C@@H](CC)O[C@@H](CC)C2)c1O ZINC000398733698 799533310 /nfs/dbraw/zinc/53/33/10/799533310.db2.gz NJEOIEJDHMFRKY-GASCZTMLSA-N 0 1 293.407 3.180 20 10 CGCDMN CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H](C)CO1 ZINC000403842044 799572574 /nfs/dbraw/zinc/57/25/74/799572574.db2.gz SXYUNYLITCSPSW-PWSUYJOCSA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@H](C)C[N@@H+](Cc1cccc(Cl)c1[O-])C(C)C ZINC000688094486 799745007 /nfs/dbraw/zinc/74/50/07/799745007.db2.gz KBFNLPOMNMKMED-LLVKDONJSA-N 0 1 271.788 3.291 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CC=CCC1 ZINC000691426153 799783867 /nfs/dbraw/zinc/78/38/67/799783867.db2.gz GTELVJZVRROCRW-LBPRGKRZSA-N 0 1 282.181 3.353 20 10 CGCDMN CC1(C)C[C@@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691397417 799783775 /nfs/dbraw/zinc/78/37/75/799783775.db2.gz YFBUNQMYVJJLPC-NSHDSACASA-N 0 1 270.170 3.043 20 10 CGCDMN CCSC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000691854557 799788868 /nfs/dbraw/zinc/78/88/68/799788868.db2.gz CVMVUPHOOOPFSC-UHFFFAOYSA-N 0 1 271.813 3.421 20 10 CGCDMN C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccccn1 ZINC000692655822 799795298 /nfs/dbraw/zinc/79/52/98/799795298.db2.gz GHWDMCZQKYRSEB-NSHDSACASA-N 0 1 276.767 3.334 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCC1SCCS1 ZINC000693779033 799815300 /nfs/dbraw/zinc/81/53/00/799815300.db2.gz BHUXFSFCDYGHDI-UHFFFAOYSA-N 0 1 289.853 3.331 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@H](CCF)C2)ccc(F)c1F ZINC000703613619 799927499 /nfs/dbraw/zinc/92/74/99/799927499.db2.gz UETOQCSPBJPPGD-SNVBAGLBSA-N 0 1 273.298 3.242 20 10 CGCDMN CC[C@@H]([NH2+]Cc1c([O-])cccc1Br)C1CC1 ZINC000706854293 799967262 /nfs/dbraw/zinc/96/72/62/799967262.db2.gz ZBXAUACEVBTKJL-GFCCVEGCSA-N 0 1 284.197 3.433 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+]C(C1CC1)C1CC1 ZINC000706820253 799967905 /nfs/dbraw/zinc/96/79/05/799967905.db2.gz ZIYNAQFRISVQKY-UHFFFAOYSA-N 0 1 296.208 3.433 20 10 CGCDMN Cc1cccc(CNCc2nc3c(s2)CCCC3)c1O ZINC000719527768 800241330 /nfs/dbraw/zinc/24/13/30/800241330.db2.gz LVKHFXKDAOWCMF-UHFFFAOYSA-N 0 1 288.416 3.326 20 10 CGCDMN CCc1cccc(CNCc2nc3c(s2)CCC3)c1O ZINC000719560194 800242959 /nfs/dbraw/zinc/24/29/59/800242959.db2.gz KYRNQPMLYOIVHY-UHFFFAOYSA-N 0 1 288.416 3.190 20 10 CGCDMN C[C@H](NCc1nc2c(s1)CCC2)c1ccccc1O ZINC000719624458 800246751 /nfs/dbraw/zinc/24/67/51/800246751.db2.gz GYLRLXLUUBCHNJ-JTQLQIEISA-N 0 1 274.389 3.188 20 10 CGCDMN Cc1nc(CNCc2cc(C)ccc2O)sc1C ZINC000719627948 800246981 /nfs/dbraw/zinc/24/69/81/800246981.db2.gz YJTRWOQXSYZHIG-UHFFFAOYSA-N 0 1 262.378 3.064 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001137831703 803777328 /nfs/dbraw/zinc/77/73/28/803777328.db2.gz KOCURGCEIKJVRZ-GFCCVEGCSA-N 0 1 277.261 3.101 20 10 CGCDMN C[C@]1(F)CCCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137832618 803778470 /nfs/dbraw/zinc/77/84/70/803778470.db2.gz BJSSUJJNRNOVMT-AWEZNQCLSA-N 0 1 255.308 3.245 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CCOC2(CCCCC2)C1 ZINC001137840033 803781375 /nfs/dbraw/zinc/78/13/75/803781375.db2.gz PSBHNVTUKAUZMS-UHFFFAOYSA-N 0 1 279.355 3.066 20 10 CGCDMN Cc1c(CN2CC(C(F)F)C2)c2ccccc2n1C ZINC001138259520 803884220 /nfs/dbraw/zinc/88/42/20/803884220.db2.gz ITUQQIXEJGJTIB-UHFFFAOYSA-N 0 1 264.319 3.184 20 10 CGCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cnccc1OC ZINC001139609697 804225443 /nfs/dbraw/zinc/22/54/43/804225443.db2.gz OXGHILQZVNNNJD-UHFFFAOYSA-N 0 1 299.418 3.178 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001139683337 804251670 /nfs/dbraw/zinc/25/16/70/804251670.db2.gz LRZGJSUQQQZDIL-OAHLLOKOSA-N 0 1 290.313 3.403 20 10 CGCDMN CC[C@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685974 804253673 /nfs/dbraw/zinc/25/36/73/804253673.db2.gz HZUJAKKPIXUXAA-JTQLQIEISA-N 0 1 255.308 3.292 20 10 CGCDMN CN(Cc1ccc(N2CCCC2)cc1)Cc1ccnc(F)c1 ZINC001139833506 804293945 /nfs/dbraw/zinc/29/39/45/804293945.db2.gz FDYKRBZNPDPSBJ-UHFFFAOYSA-N 0 1 299.393 3.453 20 10 CGCDMN CC1(F)CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461560 804440975 /nfs/dbraw/zinc/44/09/75/804440975.db2.gz MDISFPPNRIGLDO-UHFFFAOYSA-N 0 1 257.736 3.370 20 10 CGCDMN Cc1cccc2c1C[N@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001140583133 804466823 /nfs/dbraw/zinc/46/68/23/804466823.db2.gz WUBMHGTYEQZGBC-UHFFFAOYSA-N 0 1 275.298 3.495 20 10 CGCDMN Cc1cccc2c1C[N@@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001140583133 804466826 /nfs/dbraw/zinc/46/68/26/804466826.db2.gz WUBMHGTYEQZGBC-UHFFFAOYSA-N 0 1 275.298 3.495 20 10 CGCDMN Cc1c(O)ccc(CN2CCC[C@H]2c2nccs2)c1O ZINC001140749057 804504698 /nfs/dbraw/zinc/50/46/98/804504698.db2.gz POWVJHFNOLJQAM-LBPRGKRZSA-N 0 1 290.388 3.200 20 10 CGCDMN CC[N@@H+](Cc1cccc2nn(C)cc21)Cc1ccccc1O ZINC001142464693 804725413 /nfs/dbraw/zinc/72/54/13/804725413.db2.gz BOOGWTMCLGZYAQ-UHFFFAOYSA-N 0 1 295.386 3.301 20 10 CGCDMN Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CCN3)n2)cc1 ZINC001247676899 804794835 /nfs/dbraw/zinc/79/48/35/804794835.db2.gz OHYMSGLVUIDLLJ-HNNXBMFYSA-N 0 1 294.358 3.179 20 10 CGCDMN CC(C)(C)c1cccc(CN2CC[C@H](F)C2)c1O ZINC001143103898 804801308 /nfs/dbraw/zinc/80/13/08/804801308.db2.gz MRWNVADSRZFZCG-LBPRGKRZSA-N 0 1 251.345 3.234 20 10 CGCDMN C[C@@H]1CCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144299116 804970643 /nfs/dbraw/zinc/97/06/43/804970643.db2.gz PPGWPFHOVKQLAK-MRVPVSSYSA-N 0 1 288.160 3.278 20 10 CGCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C1Cc2ccccc2C1 ZINC001180175900 809980887 /nfs/dbraw/zinc/98/08/87/809980887.db2.gz YRZSUXYCFURTPQ-UHFFFAOYSA-N 0 1 289.325 3.270 20 10 CGCDMN C=Cn1cc(CN(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001181556594 810059120 /nfs/dbraw/zinc/05/91/20/810059120.db2.gz ZNCZWNZYCQKVAY-UHFFFAOYSA-N 0 1 296.418 3.216 20 10 CGCDMN CC1(C)CO[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC001183674270 810156407 /nfs/dbraw/zinc/15/64/07/810156407.db2.gz WACYMVJIZAROKD-OAHLLOKOSA-N 0 1 285.387 3.450 20 10 CGCDMN C[C@@H]1CCCCN(C(=O)c2cc(O)c(O)c(Cl)c2)C1 ZINC001193605928 810918395 /nfs/dbraw/zinc/91/83/95/810918395.db2.gz NLJGNQZRFKJPCX-SECBINFHSA-N 0 1 283.755 3.013 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1F ZINC001203573513 812396159 /nfs/dbraw/zinc/39/61/59/812396159.db2.gz DCIZDWLHMFRRBS-HQJQHLMTSA-N 0 1 278.154 3.489 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1F ZINC001203573513 812396172 /nfs/dbraw/zinc/39/61/72/812396172.db2.gz DCIZDWLHMFRRBS-HQJQHLMTSA-N 0 1 278.154 3.489 20 10 CGCDMN Oc1ccc(CN2CCC(Oc3ccccc3)CC2)cc1O ZINC001203874961 812478181 /nfs/dbraw/zinc/47/81/81/812478181.db2.gz FVQFXZCCIBCVCA-UHFFFAOYSA-N 0 1 299.370 3.141 20 10 CGCDMN C[C@@]1([NH3+])CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001204946438 812792970 /nfs/dbraw/zinc/79/29/70/812792970.db2.gz OAOOIOGNXWIZIW-CYBMUJFWSA-N 0 1 289.206 3.012 20 10 CGCDMN Cc1cc(F)c(CNCc2cc(F)ccc2O)c(F)c1 ZINC001207653601 813628499 /nfs/dbraw/zinc/62/84/99/813628499.db2.gz CUBQSTKDBCGKFA-UHFFFAOYSA-N 0 1 281.277 3.408 20 10 CGCDMN COc1ccc2c(c1)c1c(n2C)CCN(C[C@@H]2C[C@H]2C)C1 ZINC001209421827 814024011 /nfs/dbraw/zinc/02/40/11/814024011.db2.gz PMTWTESFOWOBJE-OLZOCXBDSA-N 0 1 284.403 3.201 20 10 CGCDMN Cn1ccc2c1ccnc2-c1ccccc1-n1cccn1 ZINC001242708443 823107400 /nfs/dbraw/zinc/10/74/00/823107400.db2.gz BLFRWQIKPLQHKP-UHFFFAOYSA-N 0 1 274.327 3.426 20 10 CGCDMN COc1cnccc1Nc1cc(C(C)(C)C)ccc1O ZINC001211263787 814865919 /nfs/dbraw/zinc/86/59/19/814865919.db2.gz JOBRLYJLMJWASV-UHFFFAOYSA-N 0 1 272.348 3.259 20 10 CGCDMN C[N@@H+](CCCc1ccccc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231451740 818102707 /nfs/dbraw/zinc/10/27/07/818102707.db2.gz SSTZIBFIUFQJSG-UHFFFAOYSA-N 0 1 299.370 3.155 20 10 CGCDMN [O-]c1cc(O)c(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001232257955 818294750 /nfs/dbraw/zinc/29/47/50/818294750.db2.gz NLYWMRCETJHOPJ-GHMZBOCLSA-N 0 1 281.783 3.373 20 10 CGCDMN [O-]c1cc(O)c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001232257955 818294759 /nfs/dbraw/zinc/29/47/59/818294759.db2.gz NLYWMRCETJHOPJ-GHMZBOCLSA-N 0 1 281.783 3.373 20 10 CGCDMN CCC[NH+](CCC)Cc1cc(Cl)c(O)cc1[O-] ZINC001232258273 818294824 /nfs/dbraw/zinc/29/48/24/818294824.db2.gz HZJGBQSRZWCXHS-UHFFFAOYSA-N 0 1 257.761 3.373 20 10 CGCDMN CC(C)[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232263592 818297183 /nfs/dbraw/zinc/29/71/83/818297183.db2.gz SJCCHKHJQFXWRL-LBPRGKRZSA-N 0 1 269.772 3.372 20 10 CGCDMN CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c([O-])cc1O ZINC001232263592 818297189 /nfs/dbraw/zinc/29/71/89/818297189.db2.gz SJCCHKHJQFXWRL-LBPRGKRZSA-N 0 1 269.772 3.372 20 10 CGCDMN CC(C)[C@@H]1CCC[N@H+]1Cc1cc(Cl)c([O-])cc1O ZINC001232263592 818297198 /nfs/dbraw/zinc/29/71/98/818297198.db2.gz SJCCHKHJQFXWRL-LBPRGKRZSA-N 0 1 269.772 3.372 20 10 CGCDMN COc1cc([O-])c(C[NH+]2CCCCC2)cc1Cl ZINC001232263681 818298338 /nfs/dbraw/zinc/29/83/38/818298338.db2.gz DAOUZYITMFLNPD-UHFFFAOYSA-N 0 1 255.745 3.040 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CCCC[C@H]2C)cc1Cl ZINC001232266817 818298734 /nfs/dbraw/zinc/29/87/34/818298734.db2.gz ZJSOYJMVAZZHTI-SNVBAGLBSA-N 0 1 269.772 3.429 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC001232266817 818298741 /nfs/dbraw/zinc/29/87/41/818298741.db2.gz ZJSOYJMVAZZHTI-SNVBAGLBSA-N 0 1 269.772 3.429 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCCC[C@H]2C)cc1Cl ZINC001232266817 818298748 /nfs/dbraw/zinc/29/87/48/818298748.db2.gz ZJSOYJMVAZZHTI-SNVBAGLBSA-N 0 1 269.772 3.429 20 10 CGCDMN C[C@H]1CCN(Cc2ccc(F)c(F)c2O)CC1(F)F ZINC001233074872 818517245 /nfs/dbraw/zinc/51/72/45/818517245.db2.gz ZDDCCEFRVVPOEF-QMMMGPOBSA-N 0 1 277.261 3.148 20 10 CGCDMN Oc1c(CN2C[C@H]3C[C@@H](C2)O3)cccc1-c1ccccc1 ZINC001234993923 818971425 /nfs/dbraw/zinc/97/14/25/818971425.db2.gz CTQDVVWVYIAMLA-IYBDPMFKSA-N 0 1 281.355 3.032 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CCN1C ZINC001234996603 818972005 /nfs/dbraw/zinc/97/20/05/818972005.db2.gz JCEYINWCKRGBBD-OAHLLOKOSA-N 0 1 296.414 3.195 20 10 CGCDMN CC(=O)[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234996334 818973168 /nfs/dbraw/zinc/97/31/68/818973168.db2.gz AQXZXYZYIPRHRH-INIZCTEOSA-N 0 1 295.382 3.470 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@](C)(CF)C2)c(Cl)c1 ZINC001236797495 819598465 /nfs/dbraw/zinc/59/84/65/819598465.db2.gz FPUSCPKVDIZTIS-AWEZNQCLSA-N 0 1 287.762 3.236 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CC[C@@](C)(CF)C2)c(Cl)c1 ZINC001236797495 819598471 /nfs/dbraw/zinc/59/84/71/819598471.db2.gz FPUSCPKVDIZTIS-AWEZNQCLSA-N 0 1 287.762 3.236 20 10 CGCDMN CCOC1CC[NH+](Cc2c([O-])cc(OC)cc2Cl)CC1 ZINC001236799321 819599366 /nfs/dbraw/zinc/59/93/66/819599366.db2.gz MPKUPYTZUDFPKN-UHFFFAOYSA-N 0 1 299.798 3.055 20 10 CGCDMN COc1cc([O-])c(C[NH+]2CCCCCC2)c(Cl)c1 ZINC001236797576 819599716 /nfs/dbraw/zinc/59/97/16/819599716.db2.gz HDOHNGUFJZJCMR-UHFFFAOYSA-N 0 1 269.772 3.430 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCCC2(C)C)c(Cl)c1 ZINC001236799005 819599876 /nfs/dbraw/zinc/59/98/76/819599876.db2.gz QSOAHWHHTXFZMR-UHFFFAOYSA-N 0 1 269.772 3.429 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCCC2(C)C)c(Cl)c1 ZINC001236799005 819599881 /nfs/dbraw/zinc/59/98/81/819599881.db2.gz QSOAHWHHTXFZMR-UHFFFAOYSA-N 0 1 269.772 3.429 20 10 CGCDMN CC[C@H]1CCC[N@H+]1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236808459 819601244 /nfs/dbraw/zinc/60/12/44/819601244.db2.gz AXIWMOYCOLZEDH-NSHDSACASA-N 0 1 269.772 3.429 20 10 CGCDMN COc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)c([O-])c1Cl ZINC001236808533 819601528 /nfs/dbraw/zinc/60/15/28/819601528.db2.gz CVCLWRRGLKCVBK-LBPRGKRZSA-N 0 1 299.798 3.055 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC001236803032 819602963 /nfs/dbraw/zinc/60/29/63/819602963.db2.gz LURUCBAWXKBMIU-JTQLQIEISA-N 0 1 269.772 3.429 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC001236803032 819602968 /nfs/dbraw/zinc/60/29/68/819602968.db2.gz LURUCBAWXKBMIU-JTQLQIEISA-N 0 1 269.772 3.429 20 10 CGCDMN C[C@@]1(O)CCC[N@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236827447 819609725 /nfs/dbraw/zinc/60/97/25/819609725.db2.gz SDLKANNCIVDMTM-GOSISDBHSA-N 0 1 285.387 3.282 20 10 CGCDMN C[C@@]1(O)CCC[N@@H+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236827447 819609730 /nfs/dbraw/zinc/60/97/30/819609730.db2.gz SDLKANNCIVDMTM-GOSISDBHSA-N 0 1 285.387 3.282 20 10 CGCDMN CC1(C)CN(Cc2cc3ccccc3cc2O)CCC1=O ZINC001236834409 819613506 /nfs/dbraw/zinc/61/35/06/819613506.db2.gz YNABZXVEBOOAKI-UHFFFAOYSA-N 0 1 283.371 3.346 20 10 CGCDMN Oc1cc2ccccc2cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001236842519 819618229 /nfs/dbraw/zinc/61/82/29/819618229.db2.gz WROZGDFXBWMQQO-GOSISDBHSA-N 0 1 296.414 3.216 20 10 CGCDMN Oc1cc2ccccc2cc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001236842519 819618231 /nfs/dbraw/zinc/61/82/31/819618231.db2.gz WROZGDFXBWMQQO-GOSISDBHSA-N 0 1 296.414 3.216 20 10 CGCDMN CCOc1ccc(C[N@H+](C(C)C)C2CCOCC2)c([O-])c1 ZINC001237047233 819650255 /nfs/dbraw/zinc/65/02/55/819650255.db2.gz JZEDVWFRPOZQIH-UHFFFAOYSA-N 0 1 293.407 3.180 20 10 CGCDMN CCOc1ccc(C[N@@H+](C(C)C)C2CCOCC2)c([O-])c1 ZINC001237047233 819650258 /nfs/dbraw/zinc/65/02/58/819650258.db2.gz JZEDVWFRPOZQIH-UHFFFAOYSA-N 0 1 293.407 3.180 20 10 CGCDMN CC[N@H+](Cc1c([O-])ccc(F)c1Cl)C1CCOCC1 ZINC001237127259 819673577 /nfs/dbraw/zinc/67/35/77/819673577.db2.gz YAEVBWKBDKJMMJ-UHFFFAOYSA-N 0 1 287.762 3.186 20 10 CGCDMN CC[N@@H+](Cc1c([O-])ccc(F)c1Cl)C1CCOCC1 ZINC001237127259 819673581 /nfs/dbraw/zinc/67/35/81/819673581.db2.gz YAEVBWKBDKJMMJ-UHFFFAOYSA-N 0 1 287.762 3.186 20 10 CGCDMN CN(Cc1nccs1)Cc1cc(F)cc(Cl)c1O ZINC001237800558 819846077 /nfs/dbraw/zinc/84/60/77/819846077.db2.gz ACAAXCXTSRXYNW-UHFFFAOYSA-N 0 1 286.759 3.273 20 10 CGCDMN C[N@H+](Cc1cc(F)cc(Cl)c1[O-])CC1CCOCC1 ZINC001237808092 819847636 /nfs/dbraw/zinc/84/76/36/819847636.db2.gz QHKZNMFIEJNZDW-UHFFFAOYSA-N 0 1 287.762 3.043 20 10 CGCDMN CC[N@@H+](Cc1cc(F)c(Cl)cc1[O-])C1CCOCC1 ZINC001237935302 819887784 /nfs/dbraw/zinc/88/77/84/819887784.db2.gz CFCZCNYMRQGARS-UHFFFAOYSA-N 0 1 287.762 3.186 20 10 CGCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001237942919 819889662 /nfs/dbraw/zinc/88/96/62/819889662.db2.gz FVLIECHURLGMHJ-BONVTDFDSA-N 0 1 299.773 3.186 20 10 CGCDMN CCC[N@@H+](CCOC)Cc1cc(F)c(Cl)cc1[O-] ZINC001237946874 819891754 /nfs/dbraw/zinc/89/17/54/819891754.db2.gz NIUWRGJARRTMJK-UHFFFAOYSA-N 0 1 275.751 3.043 20 10 CGCDMN Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1O ZINC001238060686 819920992 /nfs/dbraw/zinc/92/09/92/819920992.db2.gz FCWAHPJRJRMVNE-PWSUYJOCSA-N 0 1 251.345 3.460 20 10 CGCDMN Cc1cc(F)cc(C[N@@H+](C)CC2CC(F)(F)C2)c1O ZINC001238071125 819925382 /nfs/dbraw/zinc/92/53/82/819925382.db2.gz SFFSMHCDFITZST-UHFFFAOYSA-N 0 1 273.298 3.317 20 10 CGCDMN COc1cccc(O)c1CN(C)Cc1cc(F)cc(F)c1 ZINC001339287319 936365266 /nfs/dbraw/zinc/36/52/66/936365266.db2.gz IOEARPGFKSXGPC-UHFFFAOYSA-N 0 1 293.313 3.311 20 10 CGCDMN CCC[C@@]1([NH2+]Cc2ccc(Cl)cc2[O-])CCOC1 ZINC001462222385 937626204 /nfs/dbraw/zinc/62/62/04/937626204.db2.gz CWMOJVFFZVFVII-CQSZACIVSA-N 0 1 269.772 3.094 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC001308548157 933129249 /nfs/dbraw/zinc/12/92/49/933129249.db2.gz WOBXBKIWXXSYHM-GBIKHYSHSA-N 0 1 251.757 3.324 20 10 CGCDMN Cc1ccc(CN2CCO[C@H](Cc3ccccc3)C2)c(O)c1 ZINC001308643708 933149834 /nfs/dbraw/zinc/14/98/34/933149834.db2.gz ROTOASKBXGSDFI-GOSISDBHSA-N 0 1 297.398 3.144 20 10 CGCDMN CC1(C)CCN(Cc2cc(F)c(F)cc2[O-])CC(C)(C)[NH2+]1 ZINC001474755791 934158401 /nfs/dbraw/zinc/15/84/01/934158401.db2.gz RZHTXBPCAKVJRN-UHFFFAOYSA-N 0 1 298.377 3.023 20 10 CGCDMN CCc1nc(CNCc2cc(C)cc(OC)c2O)cs1 ZINC001331553998 935393242 /nfs/dbraw/zinc/39/32/42/935393242.db2.gz RJFUQNBZXMNZPE-UHFFFAOYSA-N 0 1 292.404 3.018 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2nc(C)sc2C)c1 ZINC001337211026 936243677 /nfs/dbraw/zinc/24/36/77/936243677.db2.gz HHPNBHZBYZWPNY-SECBINFHSA-N 0 1 292.404 3.325 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC001474721056 937877223 /nfs/dbraw/zinc/87/72/23/937877223.db2.gz NYNOHIXGBMWFOD-AWEZNQCLSA-N 0 1 281.783 3.237 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC001560628419 938266812 /nfs/dbraw/zinc/26/68/12/938266812.db2.gz JYNJQNYAQXLLGU-GFCCVEGCSA-N 0 1 291.782 3.148 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC001560628419 938266813 /nfs/dbraw/zinc/26/68/13/938266813.db2.gz JYNJQNYAQXLLGU-GFCCVEGCSA-N 0 1 291.782 3.148 20 10 CGCDMN COc1cccc(F)c1C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001561026508 938290209 /nfs/dbraw/zinc/29/02/09/938290209.db2.gz GSXFOMNPAFLJLP-UHFFFAOYSA-N 0 1 295.741 3.483 20 10 CGCDMN CC/C=C\CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001595513697 981307433 /nfs/dbraw/zinc/30/74/33/981307433.db2.gz FFNOMZLQOGUBLP-ARJAWSKDSA-N 0 1 297.782 3.289 20 10 CGCDMN Oc1ccc2ccccc2c1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000158503072 372071495 /nfs/dbraw/zinc/07/14/95/372071495.db2.gz WQCATZQSAMDVOK-YIONKMFJSA-N 0 1 283.371 3.033 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000160244929 372229673 /nfs/dbraw/zinc/22/96/73/372229673.db2.gz NKDAUMLFLSWREC-JTQLQIEISA-N 0 1 277.261 3.306 20 10 CGCDMN Cc1nccnc1CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000295011193 372686732 /nfs/dbraw/zinc/68/67/32/372686732.db2.gz MTPIYDHTMMYVRR-JTQLQIEISA-N 0 1 291.782 3.037 20 10 CGCDMN C[C@H]([NH2+]Cc1cccc(CO)c1)c1cc(Cl)ccc1[O-] ZINC000185372941 374650824 /nfs/dbraw/zinc/65/08/24/374650824.db2.gz COCDPEOZPUGGFY-NSHDSACASA-N 0 1 291.778 3.389 20 10 CGCDMN Cc1csc(C2(NCc3ccccc3O)CCC2)n1 ZINC000263651889 377949606 /nfs/dbraw/zinc/94/96/06/377949606.db2.gz DIRHISHRSJQZDL-UHFFFAOYSA-N 0 1 274.389 3.326 20 10 CGCDMN Oc1ccc(F)cc1C[N@H+]1CCc2ccsc2C1 ZINC000272231735 378591394 /nfs/dbraw/zinc/59/13/94/378591394.db2.gz DYIXOTYIUCEIFL-UHFFFAOYSA-N 0 1 263.337 3.151 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1cc(Cl)ccc1[O-] ZINC000273394045 378744318 /nfs/dbraw/zinc/74/43/18/378744318.db2.gz LOBQPZHYMOICDF-TUKIKUTGSA-N 0 1 294.826 3.323 20 10 CGCDMN C[C@@H](CO)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273485472 378750489 /nfs/dbraw/zinc/75/04/89/378750489.db2.gz NCGHPINSOASKLD-MNOVXSKESA-N 0 1 271.788 3.105 20 10 CGCDMN C[C@@H]([NH2+]CCc1ccncc1)c1cc(Cl)ccc1[O-] ZINC000273584497 378753810 /nfs/dbraw/zinc/75/38/10/378753810.db2.gz NLVMJVQAUGTRQK-LLVKDONJSA-N 0 1 276.767 3.334 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375306392 379490903 /nfs/dbraw/zinc/49/09/03/379490903.db2.gz ZFDFPBOYVTWFGA-OAHLLOKOSA-N 0 1 281.783 3.048 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000281340176 379830040 /nfs/dbraw/zinc/83/00/40/379830040.db2.gz SPDCCUWNBBJRLY-GFCCVEGCSA-N 0 1 269.772 3.047 20 10 CGCDMN CSCCC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000281117653 379817417 /nfs/dbraw/zinc/81/74/17/379817417.db2.gz BVDHUUOQABTOKE-UHFFFAOYSA-N 0 1 259.802 3.231 20 10 CGCDMN Cc1ccnc([C@@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000285625708 380150217 /nfs/dbraw/zinc/15/02/17/380150217.db2.gz KZZXWNZITDCMPJ-CQSZACIVSA-N 0 1 269.392 3.307 20 10 CGCDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cncs1 ZINC000122926034 392425160 /nfs/dbraw/zinc/42/51/60/392425160.db2.gz GLPYSRARNHCTNG-LBPRGKRZSA-N 0 1 287.432 3.376 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(Cl)c1[O-] ZINC000293630308 392526631 /nfs/dbraw/zinc/52/66/31/392526631.db2.gz KERSTGWBAOIVBC-SMDDNHRTSA-N 0 1 284.831 3.284 20 10 CGCDMN CO[C@@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000191207136 392824438 /nfs/dbraw/zinc/82/44/38/392824438.db2.gz QZNBFAXOAGVMCW-RYUDHWBXSA-N 0 1 259.349 3.231 20 10 CGCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000092195435 260267547 /nfs/dbraw/zinc/26/75/47/260267547.db2.gz XRLHPCXKIHSMFZ-LBPRGKRZSA-N 0 1 273.355 3.138 20 10 CGCDMN C[C@@H]([NH2+]CCc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000184839201 262030585 /nfs/dbraw/zinc/03/05/85/262030585.db2.gz ZHLLJKVEQQNDDB-LLVKDONJSA-N 0 1 276.767 3.334 20 10 CGCDMN CCOCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000184830633 262030981 /nfs/dbraw/zinc/03/09/81/262030981.db2.gz BFTUNFJBPGBXBF-SNVBAGLBSA-N 0 1 257.761 3.123 20 10 CGCDMN CCC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185605324 262061525 /nfs/dbraw/zinc/06/15/25/262061525.db2.gz LSZWNNAUARPJBX-RYUDHWBXSA-N 0 1 285.815 3.495 20 10 CGCDMN CCN(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000054109887 276071875 /nfs/dbraw/zinc/07/18/75/276071875.db2.gz LSKZZYDCLGJAQO-ZDUSSCGKSA-N 0 1 272.392 3.148 20 10 CGCDMN CO[C@@]1(C)CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000280264835 294131642 /nfs/dbraw/zinc/13/16/42/294131642.db2.gz MCSJFKNYCCKUMB-HNNXBMFYSA-N 0 1 283.799 3.437 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCSC2)c1[O-] ZINC000050133446 518279121 /nfs/dbraw/zinc/27/91/21/518279121.db2.gz UTUVWFVLOUFVRU-GFCCVEGCSA-N 0 1 299.823 3.186 20 10 CGCDMN CO[C@]1(C)CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000280264847 521750911 /nfs/dbraw/zinc/75/09/11/521750911.db2.gz MCSJFKNYCCKUMB-OAHLLOKOSA-N 0 1 283.799 3.437 20 10 CGCDMN Cc1cccc(NCCCSc2nccs2)n1 ZINC000157553627 524672753 /nfs/dbraw/zinc/67/27/53/524672753.db2.gz GTEGTGPSZKCRQR-UHFFFAOYSA-N 0 1 265.407 3.441 20 10 CGCDMN C[C@H](O)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000228030991 525715139 /nfs/dbraw/zinc/71/51/39/525715139.db2.gz FLPBVPAYIUXGAI-STQMWFEESA-N 0 1 273.376 3.357 20 10 CGCDMN C[C@@H]1C[C@H](C)[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000740857864 571885690 /nfs/dbraw/zinc/88/56/90/571885690.db2.gz BAKBAWYDGXENMS-NEPJUHHUSA-N 0 1 256.349 3.171 20 10 CGCDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000740857864 571885693 /nfs/dbraw/zinc/88/56/93/571885693.db2.gz BAKBAWYDGXENMS-NEPJUHHUSA-N 0 1 256.349 3.171 20 10 CGCDMN CCOc1ccc(O)c(CNCc2ccc(Cl)o2)c1 ZINC000725841608 572435707 /nfs/dbraw/zinc/43/57/07/572435707.db2.gz JEPVSNZPQFCJIG-UHFFFAOYSA-N 0 1 281.739 3.327 20 10 CGCDMN COc1cccc(O)c1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000725847284 572439529 /nfs/dbraw/zinc/43/95/29/572439529.db2.gz YMKYLSHFYOWSOU-AAEUAGOBSA-N 0 1 287.359 3.407 20 10 CGCDMN Cn1ccnc1CN(Cc1ccccc1O)C1CCCC1 ZINC000732204188 572451482 /nfs/dbraw/zinc/45/14/82/572451482.db2.gz FMKZCBYIPURTOO-UHFFFAOYSA-N 0 1 285.391 3.071 20 10 CGCDMN CO[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000746754435 572895168 /nfs/dbraw/zinc/89/51/68/572895168.db2.gz KETCFHGQHPFIMY-STQMWFEESA-N 0 1 269.772 3.093 20 10 CGCDMN CC[C@@H](NCc1ccn(CC)n1)c1ccc(C)cc1O ZINC000840840699 618251256 /nfs/dbraw/zinc/25/12/56/618251256.db2.gz NPUXZQZZWWNOFO-OAHLLOKOSA-N 0 1 273.380 3.158 20 10 CGCDMN COc1ccc(C[N@H+]2CCCCC[C@@H]2C)c(O)c1OC ZINC000892035522 618498969 /nfs/dbraw/zinc/49/89/69/618498969.db2.gz BEPWQTKVGJRYFF-LBPRGKRZSA-N 0 1 279.380 3.174 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cncs2)c1[O-] ZINC000934197158 618527802 /nfs/dbraw/zinc/52/78/02/618527802.db2.gz AZYYVRCZYBTOJK-MRVPVSSYSA-N 0 1 294.351 3.041 20 10 CGCDMN C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000309046367 618618033 /nfs/dbraw/zinc/61/80/33/618618033.db2.gz NKRLLAVJLWJUDJ-KCJUWKMLSA-N 0 1 270.170 3.043 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C)C2(C)CC2)c1[O-] ZINC000177232542 618809844 /nfs/dbraw/zinc/80/98/44/618809844.db2.gz ZKLSECHKMBWLLN-NSHDSACASA-N 0 1 279.355 3.354 20 10 CGCDMN CCC(=O)CCN(Cc1ccco1)Cc1ccccc1O ZINC000190294475 619098686 /nfs/dbraw/zinc/09/86/86/619098686.db2.gz QWEQLCGQUBLJDN-UHFFFAOYSA-N 0 1 287.359 3.357 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCCSCC2)c(Cl)c1 ZINC000840936486 619227447 /nfs/dbraw/zinc/22/74/47/619227447.db2.gz JYKYNPXIRITGKJ-UHFFFAOYSA-N 0 1 271.813 3.293 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCCSCC2)c(Cl)c1 ZINC000840936486 619227450 /nfs/dbraw/zinc/22/74/50/619227450.db2.gz JYKYNPXIRITGKJ-UHFFFAOYSA-N 0 1 271.813 3.293 20 10 CGCDMN COc1cc(C)cc(CNCc2cc(C(C)C)no2)c1O ZINC000894256352 619446090 /nfs/dbraw/zinc/44/60/90/619446090.db2.gz PIVXXZZAMVSCTK-UHFFFAOYSA-N 0 1 290.363 3.110 20 10 CGCDMN CCOCc1cc(CNCc2ccco2)ccc1OC ZINC000195264249 625357132 /nfs/dbraw/zinc/35/71/32/625357132.db2.gz YTHGWWOPDOJGLB-UHFFFAOYSA-N 0 1 275.348 3.115 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CCC1(F)F ZINC000894789835 619632740 /nfs/dbraw/zinc/63/27/40/619632740.db2.gz KRLUYVQMZSHMJP-QMMMGPOBSA-N 0 1 277.261 3.148 20 10 CGCDMN COc1cc(C)cc(CNc2cc3c(cn2)CCC3)c1O ZINC000894864547 619659456 /nfs/dbraw/zinc/65/94/56/619659456.db2.gz CELCOWQBQJJPPJ-UHFFFAOYSA-N 0 1 284.359 3.205 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000895073438 619712826 /nfs/dbraw/zinc/71/28/26/619712826.db2.gz HMMZKKYRAKHYPK-IAQYHMDHSA-N 0 1 297.345 3.061 20 10 CGCDMN Cc1cc(CNCc2c[nH]cn2)c(C)n1-c1cccc(C)c1 ZINC000895406155 619822143 /nfs/dbraw/zinc/82/21/43/619822143.db2.gz QSCTWORSYOZYRH-UHFFFAOYSA-N 0 1 294.402 3.415 20 10 CGCDMN Oc1cccc2c1C[N@@H+](C[C@H]1CCc3ccccc31)C2 ZINC000895784670 619885444 /nfs/dbraw/zinc/88/54/44/619885444.db2.gz KYLVJWMARAINCK-OAHLLOKOSA-N 0 1 265.356 3.438 20 10 CGCDMN CCC(CC)(CCO)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185621400 625399590 /nfs/dbraw/zinc/39/95/90/625399590.db2.gz BGLQYNKUUMMMAI-GFCCVEGCSA-N 0 1 283.387 3.371 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2(C3(O)CCC3)CC2)c(Cl)c1 ZINC000897528113 620371546 /nfs/dbraw/zinc/37/15/46/620371546.db2.gz WJRNACXQJATJBG-UHFFFAOYSA-N 0 1 295.810 3.139 20 10 CGCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1cn[nH]c1 ZINC000841752715 620384799 /nfs/dbraw/zinc/38/47/99/620384799.db2.gz VHSAGSOGHFPSLE-RKDXNWHRSA-N 0 1 265.744 3.181 20 10 CGCDMN CN(Cc1scnc1C1CC1)Cc1ccccc1O ZINC000787110734 620506798 /nfs/dbraw/zinc/50/67/98/620506798.db2.gz JBOVDCLIWXTPRF-UHFFFAOYSA-N 0 1 274.389 3.358 20 10 CGCDMN CC[C@H]([NH2+]CC1(N)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000902403646 621308102 /nfs/dbraw/zinc/30/81/02/621308102.db2.gz AIXNHKPAQRLUAF-JTQLQIEISA-N 0 1 289.206 3.231 20 10 CGCDMN CC[C@@H](NCc1csc(N)n1)c1cc(Cl)ccc1O ZINC000902499290 621346595 /nfs/dbraw/zinc/34/65/95/621346595.db2.gz MQSOAFHVHBFXTA-LLVKDONJSA-N 0 1 297.811 3.325 20 10 CGCDMN CC[C@@H]([NH2+]Cc1csc(N)n1)c1cc(Cl)ccc1[O-] ZINC000902499290 621346598 /nfs/dbraw/zinc/34/65/98/621346598.db2.gz MQSOAFHVHBFXTA-LLVKDONJSA-N 0 1 297.811 3.325 20 10 CGCDMN C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1ccc(Cl)cc1[O-] ZINC000903441239 621749686 /nfs/dbraw/zinc/74/96/86/621749686.db2.gz ZYFBTEJRZZFBJQ-QCZZGDTMSA-N 0 1 281.783 3.121 20 10 CGCDMN Cc1noc(C)c1CN(C)Cc1cc(C)cc(C)c1O ZINC000163994819 622811095 /nfs/dbraw/zinc/81/10/95/622811095.db2.gz CXUFUQMHDGYQKB-UHFFFAOYSA-N 0 1 274.364 3.246 20 10 CGCDMN C[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H]1C ZINC000226582759 622983106 /nfs/dbraw/zinc/98/31/06/622983106.db2.gz KCBMRKRVNUINQT-GYSYKLTISA-N 0 1 251.345 3.446 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC(C)(C)CC2)c1[O-] ZINC000061820763 623180540 /nfs/dbraw/zinc/18/05/40/623180540.db2.gz JZXGUWBHXJUCHO-UHFFFAOYSA-N 0 1 279.355 3.356 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1Cl ZINC000827506321 623465602 /nfs/dbraw/zinc/46/56/02/623465602.db2.gz GPQPMNIUZONUGW-GHMZBOCLSA-N 0 1 251.757 3.196 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1Cl ZINC000827506321 623465606 /nfs/dbraw/zinc/46/56/06/623465606.db2.gz GPQPMNIUZONUGW-GHMZBOCLSA-N 0 1 251.757 3.196 20 10 CGCDMN COc1cc(C)cc(CN(C)Cc2ccc(C)o2)c1O ZINC000915818639 624036193 /nfs/dbraw/zinc/03/61/93/624036193.db2.gz ZFLSRIMGVFKRMG-UHFFFAOYSA-N 0 1 275.348 3.243 20 10 CGCDMN CC[N@H+](Cc1c(O)ccc2ccncc21)CC(C)C ZINC000917454543 624272520 /nfs/dbraw/zinc/27/25/20/624272520.db2.gz SEBHIACFCVYECZ-UHFFFAOYSA-N 0 1 258.365 3.418 20 10 CGCDMN CC[N@@H+](Cc1c([O-])ccc2ccncc21)CC(C)C ZINC000917454543 624272535 /nfs/dbraw/zinc/27/25/35/624272535.db2.gz SEBHIACFCVYECZ-UHFFFAOYSA-N 0 1 258.365 3.418 20 10 CGCDMN CC[N@H+](Cc1c([O-])ccc2ccncc21)CC(C)C ZINC000917454543 624272542 /nfs/dbraw/zinc/27/25/42/624272542.db2.gz SEBHIACFCVYECZ-UHFFFAOYSA-N 0 1 258.365 3.418 20 10 CGCDMN COc1ccc(O)c([C@H](C)NC/C(Cl)=C/Cl)c1 ZINC000182334798 624985032 /nfs/dbraw/zinc/98/50/32/624985032.db2.gz WUJTZGDGKFMMKF-HWPCKVLBSA-N 0 1 276.163 3.370 20 10 CGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C(C)C ZINC000076118496 625052829 /nfs/dbraw/zinc/05/28/29/625052829.db2.gz VHDCLKFZXMSPCJ-UHFFFAOYSA-N 0 1 272.186 3.385 20 10 CGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C(C)C ZINC000076118496 625052838 /nfs/dbraw/zinc/05/28/38/625052838.db2.gz VHDCLKFZXMSPCJ-UHFFFAOYSA-N 0 1 272.186 3.385 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCOC2)c2c1c(F)ccc2[O-] ZINC000756573562 626716707 /nfs/dbraw/zinc/71/67/07/626716707.db2.gz KUZLAJJNLBNZOI-XAGWURHQSA-N 0 1 279.355 3.096 20 10 CGCDMN CCc1cc(CN[C@@H](C)c2ccc(C)cc2O)on1 ZINC000756611501 626720882 /nfs/dbraw/zinc/72/08/82/626720882.db2.gz WJYFOYCOBMHJTQ-NSHDSACASA-N 0 1 260.337 3.102 20 10 CGCDMN C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000756618151 626721477 /nfs/dbraw/zinc/72/14/77/626721477.db2.gz RIJJWHZHAJIMSC-NWDGAFQWSA-N 0 1 282.815 3.181 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(O)CC2)c2c1c(F)ccc2[O-] ZINC000756637137 626723508 /nfs/dbraw/zinc/72/35/08/626723508.db2.gz ZRUXUDLBPBFEBI-BRNAGBGPSA-N 0 1 293.382 3.363 20 10 CGCDMN C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)c2c1c(F)ccc2[O-] ZINC000756644464 626724305 /nfs/dbraw/zinc/72/43/05/626724305.db2.gz ARQYGEGDEDQFPL-FMSGJZPZSA-N 0 1 293.382 3.220 20 10 CGCDMN C[C@H]([NH2+]CCOC1CCC1)c1cc(Cl)ccc1[O-] ZINC000756836458 626735980 /nfs/dbraw/zinc/73/59/80/626735980.db2.gz ARYDDHRKEHWTPU-JTQLQIEISA-N 0 1 269.772 3.265 20 10 CGCDMN COc1cc(Cl)cc(CN(C)Cc2ccccn2)c1O ZINC000761215104 627026293 /nfs/dbraw/zinc/02/62/93/627026293.db2.gz IMPOHVSZTWIKJA-UHFFFAOYSA-N 0 1 292.766 3.081 20 10 CGCDMN C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCO[C@@H]1C1CC1 ZINC000767195638 627389157 /nfs/dbraw/zinc/38/91/57/627389157.db2.gz OLAAGLUFSQXNOL-CVEARBPZSA-N 0 1 295.810 3.340 20 10 CGCDMN Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]1C1CC1 ZINC000769332253 627542458 /nfs/dbraw/zinc/54/24/58/627542458.db2.gz ZNVAFEOSLMQTHA-ZDUSSCGKSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000769332253 627542462 /nfs/dbraw/zinc/54/24/62/627542462.db2.gz ZNVAFEOSLMQTHA-ZDUSSCGKSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]1C1CC1 ZINC000769332253 627542466 /nfs/dbraw/zinc/54/24/66/627542466.db2.gz ZNVAFEOSLMQTHA-ZDUSSCGKSA-N 0 1 251.757 3.420 20 10 CGCDMN COc1cccc(O)c1CN1CCc2ccc(F)cc2C1 ZINC000769403422 627549503 /nfs/dbraw/zinc/54/95/03/627549503.db2.gz CKKVIBWVWIQEEI-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000769986023 627594967 /nfs/dbraw/zinc/59/49/67/627594967.db2.gz GIULRFJTTKKONB-ZANVPECISA-N 0 1 297.807 3.491 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1C ZINC000770284413 627611982 /nfs/dbraw/zinc/61/19/82/627611982.db2.gz QGKWZCCXZZASQZ-RKDXNWHRSA-N 0 1 284.743 3.184 20 10 CGCDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770284409 627612086 /nfs/dbraw/zinc/61/20/86/627612086.db2.gz QGKWZCCXZZASQZ-DTWKUNHWSA-N 0 1 284.743 3.184 20 10 CGCDMN COC1(C[NH2+]Cc2c([O-])cccc2Cl)CCCCC1 ZINC000775321389 628082371 /nfs/dbraw/zinc/08/23/71/628082371.db2.gz VNUWGPUNYUTPOL-UHFFFAOYSA-N 0 1 283.799 3.485 20 10 CGCDMN CC[C@H](CCO)[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775509999 628098787 /nfs/dbraw/zinc/09/87/87/628098787.db2.gz UEZGGIYEPZRUJM-YPMHNXCESA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000775483135 628099055 /nfs/dbraw/zinc/09/90/55/628099055.db2.gz MERWAXVOHLZMBV-AAEUAGOBSA-N 0 1 269.772 3.265 20 10 CGCDMN CC[C@@H]([NH2+]Cc1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000775493242 628100121 /nfs/dbraw/zinc/10/01/21/628100121.db2.gz WBIFJMQHAIKZDP-CYBMUJFWSA-N 0 1 279.771 3.020 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](CCO)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775507768 628101766 /nfs/dbraw/zinc/10/17/66/628101766.db2.gz DYHOQSPDPOGVAW-KGLIPLIRSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@H]([NH2+]C[C@](C)(O)CC)c1cc(Cl)ccc1[O-] ZINC000775502844 628101993 /nfs/dbraw/zinc/10/19/93/628101993.db2.gz WLBYEGKZGLIZMR-GXTWGEPZSA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@H]([NH2+]Cc1cc(C)ncn1)c1cc(Cl)ccc1[O-] ZINC000775522962 628103313 /nfs/dbraw/zinc/10/33/13/628103313.db2.gz CWQGKMUXXTUUQI-AWEZNQCLSA-N 0 1 291.782 3.385 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCCO1 ZINC000775664570 628122310 /nfs/dbraw/zinc/12/23/10/628122310.db2.gz YQUBUFNHTMTNLG-GFCCVEGCSA-N 0 1 287.762 3.186 20 10 CGCDMN CC(C)[C@H]1CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775763433 628134014 /nfs/dbraw/zinc/13/40/14/628134014.db2.gz GJUMHEYBKPNPLF-GFCCVEGCSA-N 0 1 257.736 3.415 20 10 CGCDMN CN(Cc1ccc(Cl)cn1)Cc1ccccc1O ZINC000778219653 628334650 /nfs/dbraw/zinc/33/46/50/628334650.db2.gz IZVKEKBEHQNYQA-UHFFFAOYSA-N 0 1 262.740 3.073 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)C(C)C)c1 ZINC000781894850 628602647 /nfs/dbraw/zinc/60/26/47/628602647.db2.gz MYNTXWMJRYJBGX-UHFFFAOYSA-N 0 1 272.186 3.303 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC2(C)C)c1 ZINC000781912411 628604704 /nfs/dbraw/zinc/60/47/04/628604704.db2.gz POGHRNLVQNIESM-UHFFFAOYSA-N 0 1 284.197 3.447 20 10 CGCDMN CC[C@@]1(C)CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000785984619 628906106 /nfs/dbraw/zinc/90/61/06/628906106.db2.gz OVRUUZPQKZJEIN-AWEZNQCLSA-N 0 1 287.762 3.186 20 10 CGCDMN CC[C@H]([NH2+]CCCCCO)c1cc(Cl)ccc1[O-] ZINC000790496719 629213562 /nfs/dbraw/zinc/21/35/62/629213562.db2.gz ZJESNVYSYZNCBL-ZDUSSCGKSA-N 0 1 271.788 3.249 20 10 CGCDMN C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000790934633 629242024 /nfs/dbraw/zinc/24/20/24/629242024.db2.gz PVOABYWPTTUSLX-FZMZJTMJSA-N 0 1 283.799 3.171 20 10 CGCDMN C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000790934633 629242030 /nfs/dbraw/zinc/24/20/30/629242030.db2.gz PVOABYWPTTUSLX-FZMZJTMJSA-N 0 1 283.799 3.171 20 10 CGCDMN CC[C@H]1CO[C@@H](C)CN1Cc1c(O)ccc(Cl)c1F ZINC000792157391 629341128 /nfs/dbraw/zinc/34/11/28/629341128.db2.gz VZLATWMDTNBZDY-UWVGGRQHSA-N 0 1 287.762 3.184 20 10 CGCDMN CCCCC[N@@H+](CCO)Cc1c([O-])ccc(Cl)c1F ZINC000792162839 629342709 /nfs/dbraw/zinc/34/27/09/629342709.db2.gz QFBQDQJQHAKSLX-UHFFFAOYSA-N 0 1 289.778 3.169 20 10 CGCDMN Oc1c(CN2CCO[C@@H](CCF)C2)ccc2ccccc21 ZINC000862529417 629391758 /nfs/dbraw/zinc/39/17/58/629391758.db2.gz DRCJCUHEFWSYCS-HNNXBMFYSA-N 0 1 289.350 3.106 20 10 CGCDMN CC1=C(C)C[N@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000794882689 629594013 /nfs/dbraw/zinc/59/40/13/629594013.db2.gz UCPSWDOUUPQLBN-UHFFFAOYSA-N 0 1 268.360 3.483 20 10 CGCDMN CC1=C(C)C[N@@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000794882689 629594015 /nfs/dbraw/zinc/59/40/15/629594015.db2.gz UCPSWDOUUPQLBN-UHFFFAOYSA-N 0 1 268.360 3.483 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000798962956 630128981 /nfs/dbraw/zinc/12/89/81/630128981.db2.gz UJWGRCNRLPQKCR-LBPRGKRZSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000798962956 630128986 /nfs/dbraw/zinc/12/89/86/630128986.db2.gz UJWGRCNRLPQKCR-LBPRGKRZSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000809746976 630798129 /nfs/dbraw/zinc/79/81/29/630798129.db2.gz FNGFMRKGBDXGQS-INIZCTEOSA-N 0 1 291.778 3.259 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)COC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208153 630853746 /nfs/dbraw/zinc/85/37/46/630853746.db2.gz SKZCFOJTIJSJGI-SKDRFNHKSA-N 0 1 291.313 3.487 20 10 CGCDMN Cc1cc([C@H](C)NCCCSc2nccs2)no1 ZINC000810220027 630856147 /nfs/dbraw/zinc/85/61/47/630856147.db2.gz ZRCBSILQUSQTRO-JTQLQIEISA-N 0 1 283.422 3.273 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178432 631540349 /nfs/dbraw/zinc/54/03/49/631540349.db2.gz POGWAZOEPWYKGB-CQSZACIVSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178432 631540353 /nfs/dbraw/zinc/54/03/53/631540353.db2.gz POGWAZOEPWYKGB-CQSZACIVSA-N 0 1 295.810 3.294 20 10 CGCDMN CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816477590 631986798 /nfs/dbraw/zinc/98/67/98/631986798.db2.gz CSYFLLBWXZLUHX-LLVKDONJSA-N 0 1 287.762 3.186 20 10 CGCDMN CCc1nocc1CN(CC)Cc1ccc(N(C)C)cc1 ZINC000816480085 631987352 /nfs/dbraw/zinc/98/73/52/631987352.db2.gz CLBMNCHOUJYXQL-UHFFFAOYSA-N 0 1 287.407 3.325 20 10 CGCDMN CC[C@@H](CCO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816557625 632011339 /nfs/dbraw/zinc/01/13/39/632011339.db2.gz WQOJJDWPBTZBQY-ZDUSSCGKSA-N 0 1 273.376 3.044 20 10 CGCDMN C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816564365 632013615 /nfs/dbraw/zinc/01/36/15/632013615.db2.gz COEVEDSMEQGISL-HIFRSBDPSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816564365 632013618 /nfs/dbraw/zinc/01/36/18/632013618.db2.gz COEVEDSMEQGISL-HIFRSBDPSA-N 0 1 285.387 3.138 20 10 CGCDMN [O-]c1c(C[NH2+]CC[C@@H]2CCOC2)ccc2ccccc21 ZINC000816567961 632014542 /nfs/dbraw/zinc/01/45/42/632014542.db2.gz QJWXWNANBGDCDA-CYBMUJFWSA-N 0 1 271.360 3.062 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000816630729 632026686 /nfs/dbraw/zinc/02/66/86/632026686.db2.gz PHLUSNLCBQSIHM-CYBMUJFWSA-N 0 1 299.773 3.064 20 10 CGCDMN C[C@@H](NCC[NH2+]C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817953992 632249257 /nfs/dbraw/zinc/24/92/57/632249257.db2.gz URLIAPRDVGSZFF-MRVPVSSYSA-N 0 1 289.206 3.102 20 10 CGCDMN C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc2ccccc2c1[O-] ZINC000866443145 633133595 /nfs/dbraw/zinc/13/35/95/633133595.db2.gz WRBWTSNWWVIJHE-IINYFYTJSA-N 0 1 295.329 3.212 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000824814740 633294734 /nfs/dbraw/zinc/29/47/34/633294734.db2.gz FAZHKJUQFPUFSP-RNCFNFMXSA-N 0 1 287.762 3.042 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2CCSCC2)cc1Cl ZINC000825247529 633339647 /nfs/dbraw/zinc/33/96/47/633339647.db2.gz UEOSECKLBMVUSC-UHFFFAOYSA-N 0 1 271.813 3.339 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1Cl ZINC000825502286 633358401 /nfs/dbraw/zinc/35/84/01/633358401.db2.gz VWCRLWJOZYELBZ-HZPDHXFCSA-N 0 1 295.810 3.401 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](CC(C)(C)O)C2CC2)cc1Cl ZINC000825563560 633365108 /nfs/dbraw/zinc/36/51/08/633365108.db2.gz ZHGYRGHWSPEIBL-UHFFFAOYSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](CC(C)(C)O)C2CC2)cc1Cl ZINC000825563560 633365115 /nfs/dbraw/zinc/36/51/15/633365115.db2.gz ZHGYRGHWSPEIBL-UHFFFAOYSA-N 0 1 283.799 3.089 20 10 CGCDMN COC1CC(CC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000826795656 633433405 /nfs/dbraw/zinc/43/34/05/633433405.db2.gz CJQRUKUYZHDCSV-UHFFFAOYSA-N 0 1 285.387 3.450 20 10 CGCDMN C[C@@]1(C2CC2)CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000826878141 633439982 /nfs/dbraw/zinc/43/99/82/633439982.db2.gz UUYNQNYHUJXKKI-HNNXBMFYSA-N 0 1 299.773 3.186 20 10 CGCDMN COCCC1C[NH+](Cc2ccc3ccccc3c2[O-])C1 ZINC000826894782 633441286 /nfs/dbraw/zinc/44/12/86/633441286.db2.gz WOVOBSRWVNDLJX-UHFFFAOYSA-N 0 1 271.360 3.014 20 10 CGCDMN CCCN1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000827519083 633496008 /nfs/dbraw/zinc/49/60/08/633496008.db2.gz JOWOBTGSXQFEGB-MRXNPFEDSA-N 0 1 284.403 3.119 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCSCC1 ZINC000122728605 633501505 /nfs/dbraw/zinc/50/15/05/633501505.db2.gz JBQBMXMNHACNHC-UHFFFAOYSA-N 0 1 257.786 3.031 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2SCCS2)cc1Cl ZINC000827620003 633504691 /nfs/dbraw/zinc/50/46/91/633504691.db2.gz BQCWHXBCMCJOST-UHFFFAOYSA-N 0 1 289.853 3.250 20 10 CGCDMN CC[C@H](NCc1nccn1CC)c1ccc(N(C)C)cc1 ZINC000834880101 634263689 /nfs/dbraw/zinc/26/36/89/634263689.db2.gz JMBCRWSXPPXWIF-INIZCTEOSA-N 0 1 286.423 3.210 20 10 CGCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1[N+](=O)[O-] ZINC000873183834 634273332 /nfs/dbraw/zinc/27/33/32/634273332.db2.gz LTUHMYRXBOWRRR-LBPRGKRZSA-N 0 1 298.342 3.381 20 10 CGCDMN CN(C)c1ccc(/C=C/CN2CCC(F)(F)CC2)cc1 ZINC000835054130 634338479 /nfs/dbraw/zinc/33/84/79/634338479.db2.gz NNASFIRTKMUUMI-ONEGZZNKSA-N 0 1 280.362 3.497 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC3(CCC3)C2)ccc(F)c1F ZINC000876743083 634890561 /nfs/dbraw/zinc/89/05/61/634890561.db2.gz YGOLVMPBMOOFCX-UHFFFAOYSA-N 0 1 253.292 3.046 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)c2c1c(F)ccc2[O-] ZINC000840894982 635078299 /nfs/dbraw/zinc/07/82/99/635078299.db2.gz GPYDQUXRCPYGLQ-CZXHOFHRSA-N 0 1 293.382 3.220 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)CC(C)(C)C)c(Cl)c1 ZINC000840898056 635078406 /nfs/dbraw/zinc/07/84/06/635078406.db2.gz DWQGVHUJSODLQD-NSHDSACASA-N 0 1 285.815 3.241 20 10 CGCDMN CC1(C)C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000877540314 635079216 /nfs/dbraw/zinc/07/92/16/635079216.db2.gz WFBSDNACPPXSJZ-DOMZBBRYSA-N 0 1 297.345 3.060 20 10 CGCDMN CC[C@@H]([NH2+]Cc1ccc2ccccc2c1[O-])[C@@H](O)C(C)C ZINC000840968208 635095673 /nfs/dbraw/zinc/09/56/73/635095673.db2.gz OSDYYRFLQJZDJG-SJORKVTESA-N 0 1 287.403 3.431 20 10 CGCDMN CCCN(CCC)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)[O-])cc1 ZINC000840995768 635100839 /nfs/dbraw/zinc/10/08/39/635100839.db2.gz UESDXHYDJYKRPM-AWEZNQCLSA-N 0 1 292.423 3.218 20 10 CGCDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1Cc2cccc(O)c2C1 ZINC000877702531 635154399 /nfs/dbraw/zinc/15/43/99/635154399.db2.gz AHBFYLLJLBSCRO-UHFFFAOYSA-N 0 1 298.342 3.433 20 10 CGCDMN C[C@H](Cc1ccsc1)[N@H+]1Cc2cccc(O)c2C1 ZINC000877702555 635154465 /nfs/dbraw/zinc/15/44/65/635154465.db2.gz BHSWDWISSDQUFS-LLVKDONJSA-N 0 1 259.374 3.401 20 10 CGCDMN [O-]c1c(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)ccc(F)c1F ZINC000877718298 635162852 /nfs/dbraw/zinc/16/28/52/635162852.db2.gz GWEWLINXKUXKPV-PHIMTYICSA-N 0 1 265.303 3.068 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCSC1)c1ccc(Cl)cc1[O-] ZINC000841752212 635225089 /nfs/dbraw/zinc/22/50/89/635225089.db2.gz RNBJBODWQNLJHG-WPRPVWTQSA-N 0 1 257.786 3.202 20 10 CGCDMN C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(Cl)cc1[O-] ZINC000841751022 635225395 /nfs/dbraw/zinc/22/53/95/635225395.db2.gz FAZAZCDIJFBVDI-ZANVPECISA-N 0 1 297.807 3.491 20 10 CGCDMN CO[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(C)C ZINC000841754168 635229219 /nfs/dbraw/zinc/22/92/19/635229219.db2.gz IELRJGGLJOSGGH-HZMBPMFUSA-N 0 1 271.788 3.367 20 10 CGCDMN CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841765088 635234242 /nfs/dbraw/zinc/23/42/42/635234242.db2.gz UZBFHYFYIQBTHG-HZMBPMFUSA-N 0 1 271.788 3.247 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000843417187 635662853 /nfs/dbraw/zinc/66/28/53/635662853.db2.gz QRNMWEGXXIVPBD-HIFRSBDPSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000843417597 635663413 /nfs/dbraw/zinc/66/34/13/635663413.db2.gz VECNVZGKFCDYHN-WFASDCNBSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000843417597 635663414 /nfs/dbraw/zinc/66/34/14/635663414.db2.gz VECNVZGKFCDYHN-WFASDCNBSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000843417494 635663468 /nfs/dbraw/zinc/66/34/68/635663468.db2.gz VECNVZGKFCDYHN-DOMZBBRYSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000843417494 635663470 /nfs/dbraw/zinc/66/34/70/635663470.db2.gz VECNVZGKFCDYHN-DOMZBBRYSA-N 0 1 295.810 3.437 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC2(CCC2)O1 ZINC000843433436 635674581 /nfs/dbraw/zinc/67/45/81/635674581.db2.gz ZXOKLWUSOIECCS-LLVKDONJSA-N 0 1 281.783 3.189 20 10 CGCDMN CCC[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000127525638 635710598 /nfs/dbraw/zinc/71/05/98/635710598.db2.gz PBUVTRNAEQPRNA-UHFFFAOYSA-N 0 1 288.185 3.005 20 10 CGCDMN COC1(C[C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000846056704 636139835 /nfs/dbraw/zinc/13/98/35/636139835.db2.gz XYYOHSNLOAYNHM-NSHDSACASA-N 0 1 283.799 3.483 20 10 CGCDMN COc1cccc([C@@H](C)NCc2cc(C(C)C)no2)c1O ZINC000846142972 636149102 /nfs/dbraw/zinc/14/91/02/636149102.db2.gz DRZNGFUBTMKXIS-LLVKDONJSA-N 0 1 290.363 3.363 20 10 CGCDMN CCCc1ncc(CN[C@@H](C)c2cccc(OC)c2O)o1 ZINC000846168074 636151940 /nfs/dbraw/zinc/15/19/40/636151940.db2.gz GJRZXKKGWZXHBC-NSHDSACASA-N 0 1 290.363 3.192 20 10 CGCDMN CCc1nc(CN(C)c2ccc(-c3nccs3)cc2)n[nH]1 ZINC000846995817 636303955 /nfs/dbraw/zinc/30/39/55/636303955.db2.gz POKAVXUGFMBJKN-UHFFFAOYSA-N 0 1 299.403 3.127 20 10 CGCDMN C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1c([O-])cccc1Cl ZINC000130485790 636463867 /nfs/dbraw/zinc/46/38/67/636463867.db2.gz KOENOYYCSCHJDE-HZMBPMFUSA-N 0 1 295.766 3.240 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2nc(C(C)C)c[nH]2)c1 ZINC000883156327 636560334 /nfs/dbraw/zinc/56/03/34/636560334.db2.gz LAYCYMAHBQLAAK-LLVKDONJSA-N 0 1 289.379 3.098 20 10 CGCDMN C[C@H](NCc1c(O)ccc(Cl)c1F)c1cscn1 ZINC000850359333 637027990 /nfs/dbraw/zinc/02/79/90/637027990.db2.gz DYQMTEQMEQUOOH-ZETCQYMHSA-N 0 1 286.759 3.492 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]CC2CCC(O)CC2)c2c1c(F)ccc2[O-] ZINC000850555120 637120530 /nfs/dbraw/zinc/12/05/30/637120530.db2.gz MEZSRTKWZJNVGU-BBCYWQGDSA-N 0 1 293.382 3.220 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)N[C@H](C)c2nccn2C)c1O ZINC000850573199 637129300 /nfs/dbraw/zinc/12/93/00/637129300.db2.gz 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/nfs/dbraw/zinc/73/75/39/640737539.db2.gz DMAQZOQUBAKXJX-UHFFFAOYSA-N 0 1 258.365 3.286 20 10 CGCDMN CCOc1ccc(O)c(CN2CCOC[C@@H]2CC(C)C)c1 ZINC000093340293 640769005 /nfs/dbraw/zinc/76/90/05/640769005.db2.gz NWTUKAUNPQKRNF-HNNXBMFYSA-N 0 1 293.407 3.038 20 10 CGCDMN C[C@H]1OCCN(Cc2ccc(N3CCCCC3)cc2)[C@H]1C ZINC000093417771 640771388 /nfs/dbraw/zinc/77/13/88/640771388.db2.gz ZFRLHTRQCZRKNS-JKSUJKDBSA-N 0 1 288.435 3.286 20 10 CGCDMN CC(C)c1ccc2nc(-c3cc(O)c(O)cc3O)[nH]c2c1 ZINC001251355355 805886265 /nfs/dbraw/zinc/88/62/65/805886265.db2.gz HMVNDDKDVCXAGO-UHFFFAOYSA-N 0 1 284.315 3.470 20 10 CGCDMN Fc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCO3)CCO2 ZINC000068984863 798912265 /nfs/dbraw/zinc/91/22/65/798912265.db2.gz PBGSUKHWJGLVKW-INIZCTEOSA-N 0 1 299.345 3.374 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@H](C)O ZINC000386713550 799439054 /nfs/dbraw/zinc/43/90/54/799439054.db2.gz QCCUKVLTPMUJDV-MKBNYLNASA-N 0 1 273.376 3.355 20 10 CGCDMN CC(C)[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000394506751 799496916 /nfs/dbraw/zinc/49/69/16/799496916.db2.gz WFJBYXKFPDXTAQ-OAHLLOKOSA-N 0 1 283.799 3.293 20 10 CGCDMN CC(C)[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000394506751 799496918 /nfs/dbraw/zinc/49/69/18/799496918.db2.gz WFJBYXKFPDXTAQ-OAHLLOKOSA-N 0 1 283.799 3.293 20 10 CGCDMN CC(C)OCC(C)(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000396418536 799508016 /nfs/dbraw/zinc/50/80/16/799508016.db2.gz NDGWQWZYGGVHEE-UHFFFAOYSA-N 0 1 271.788 3.339 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CS1 ZINC000397897078 799523249 /nfs/dbraw/zinc/52/32/49/799523249.db2.gz ROLIAEZVEZQSKX-DTWKUNHWSA-N 0 1 257.786 3.029 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403788361 799571322 /nfs/dbraw/zinc/57/13/22/799571322.db2.gz ZVPUAJUSWWKCLB-GIPNMCIBSA-N 0 1 296.208 3.433 20 10 CGCDMN CCN(CC)c1ccc(CNCc2ccns2)cc1 ZINC000404294618 799576261 /nfs/dbraw/zinc/57/62/61/799576261.db2.gz WQJFWHBXZZVQIY-UHFFFAOYSA-N 0 1 275.421 3.279 20 10 CGCDMN Cc1ccc(CNCc2ccc(N(C)C)cc2)c(F)c1 ZINC000686491089 799735185 /nfs/dbraw/zinc/73/51/85/799735185.db2.gz MRHQHJGGHMOCSW-UHFFFAOYSA-N 0 1 272.367 3.490 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+]CC1=CCCC1 ZINC000702385154 799909509 /nfs/dbraw/zinc/90/95/09/799909509.db2.gz COXPYALUTUWXSR-UHFFFAOYSA-N 0 1 282.181 3.355 20 10 CGCDMN CCC[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])OCC ZINC000705385064 799948108 /nfs/dbraw/zinc/94/81/08/799948108.db2.gz RUTMYKWKHDFPCQ-ZDUSSCGKSA-N 0 1 271.788 3.340 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH+]1CCC(F)CC1 ZINC000707157021 799973476 /nfs/dbraw/zinc/97/34/76/799973476.db2.gz YTDGAQWNOOJIDO-UHFFFAOYSA-N 0 1 288.160 3.089 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000708387236 799986302 /nfs/dbraw/zinc/98/63/02/799986302.db2.gz ZIEFPFHMMIAXDX-VIFPVBQESA-N 0 1 295.251 3.445 20 10 CGCDMN CO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C12CCC2 ZINC000713470972 800109532 /nfs/dbraw/zinc/10/95/32/800109532.db2.gz NRTMQHFLEFMOMF-ZIAGYGMSSA-N 0 1 281.783 3.093 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723650695 800335691 /nfs/dbraw/zinc/33/56/91/800335691.db2.gz NEMVEMGLJWSBGN-SLEUVZQESA-N 0 1 295.810 3.340 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000723996864 800350390 /nfs/dbraw/zinc/35/03/90/800350390.db2.gz PYPVGNLRAABGLX-LRDDRELGSA-N 0 1 295.810 3.340 20 10 CGCDMN C[C@]1(F)CCC[N@@H+](Cc2c([O-])cccc2F)CC1 ZINC001137831501 803776789 /nfs/dbraw/zinc/77/67/89/803776789.db2.gz BWTUTRZFQGGRBW-AWEZNQCLSA-N 0 1 255.308 3.245 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001137837703 803781569 /nfs/dbraw/zinc/78/15/69/803781569.db2.gz RGALZPADDNBLNL-SECBINFHSA-N 0 1 259.271 3.008 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001138122665 803863524 /nfs/dbraw/zinc/86/35/24/803863524.db2.gz SPVXHYWAOXMNHV-NSHDSACASA-N 0 1 277.261 3.101 20 10 CGCDMN Cc1c(CN2CCC(=O)[C@@H](C)CC2)c2ccccc2n1C ZINC001138252605 803879489 /nfs/dbraw/zinc/87/94/89/803879489.db2.gz NDEWYLBSEUOZSO-ZDUSSCGKSA-N 0 1 284.403 3.288 20 10 CGCDMN CC[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139129029 804134487 /nfs/dbraw/zinc/13/44/87/804134487.db2.gz LHWHAPWIAWJRCT-GFCCVEGCSA-N 0 1 287.359 3.181 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2c(F)ccc(F)c2[O-])C2(CC2)C1 ZINC001139687531 804254402 /nfs/dbraw/zinc/25/44/02/804254402.db2.gz OISBCFIDDDZUDH-VIFPVBQESA-N 0 1 253.292 3.045 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(C[C@H]2CCO)CC1 ZINC001140337906 804418079 /nfs/dbraw/zinc/41/80/79/804418079.db2.gz MGWPHOFKIAMEGK-GFCCVEGCSA-N 0 1 295.810 3.030 20 10 CGCDMN C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CCC[C@]1(C)O ZINC001140337893 804418169 /nfs/dbraw/zinc/41/81/69/804418169.db2.gz LMYUGBUEHBSYCW-NHYWBVRUSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CCC[C@]1(C)O ZINC001140337893 804418173 /nfs/dbraw/zinc/41/81/73/804418173.db2.gz LMYUGBUEHBSYCW-NHYWBVRUSA-N 0 1 283.799 3.029 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(CCOC2)CC1 ZINC001140338167 804418368 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C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)CC[C@]1(C)O ZINC001140461809 804441478 /nfs/dbraw/zinc/44/14/78/804441478.db2.gz ULKKUORVNYFEJL-ABAIWWIYSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])CC[C@]1(C)O ZINC001140461809 804441485 /nfs/dbraw/zinc/44/14/85/804441485.db2.gz ULKKUORVNYFEJL-ABAIWWIYSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])CC[C@]1(C)O ZINC001140461809 804441487 /nfs/dbraw/zinc/44/14/87/804441487.db2.gz ULKKUORVNYFEJL-ABAIWWIYSA-N 0 1 283.799 3.029 20 10 CGCDMN Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H](F)CC1 ZINC001140461226 804441872 /nfs/dbraw/zinc/44/18/72/804441872.db2.gz HMLLQDRFCPATJY-LBPRGKRZSA-N 0 1 257.736 3.370 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001140461226 804441877 /nfs/dbraw/zinc/44/18/77/804441877.db2.gz HMLLQDRFCPATJY-LBPRGKRZSA-N 0 1 257.736 3.370 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H](F)CC1 ZINC001140461226 804441881 /nfs/dbraw/zinc/44/18/81/804441881.db2.gz HMLLQDRFCPATJY-LBPRGKRZSA-N 0 1 257.736 3.370 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001140582795 804465866 /nfs/dbraw/zinc/46/58/66/804465866.db2.gz NARKLNXIRQLFCH-GFCCVEGCSA-N 0 1 295.251 3.240 20 10 CGCDMN CCC(CC)[N@@H+](CC)Cc1ccc(O)c(C)c1O ZINC001140749409 804504031 /nfs/dbraw/zinc/50/40/31/804504031.db2.gz YMGHZXAVVSBLDP-UHFFFAOYSA-N 0 1 251.370 3.417 20 10 CGCDMN C[C@@H]1C[C@H](F)CN1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074594 804584961 /nfs/dbraw/zinc/58/49/61/804584961.db2.gz NGLFDRVNWCKZKJ-DYVFJYSZSA-N 0 1 288.410 3.318 20 10 CGCDMN CCN(Cc1ccccc1F)Cc1cc(O)ccc1O ZINC001141160911 804602157 /nfs/dbraw/zinc/60/21/57/804602157.db2.gz JIDRDFZSAIIGFB-UHFFFAOYSA-N 0 1 275.323 3.259 20 10 CGCDMN CC(C)(C)c1cccc(CN2C[C@H]3CC[C@@H]2CO3)c1O ZINC001143117053 804805036 /nfs/dbraw/zinc/80/50/36/804805036.db2.gz QUVOUHNMUHMUPO-ZIAGYGMSSA-N 0 1 275.392 3.053 20 10 CGCDMN Cc1cc(CN2CCC[C@H]3C[C@H]32)c(O)cc1Br ZINC001250133658 805435038 /nfs/dbraw/zinc/43/50/38/805435038.db2.gz NPGJVXPDIKDSBR-GXFFZTMASA-N 0 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[O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001237127222 819673783 /nfs/dbraw/zinc/67/37/83/819673783.db2.gz WWMDCFASKUZOOS-LBPRGKRZSA-N 0 1 291.700 3.416 20 10 CGCDMN Cc1cccc(O)c1C[N@@H+](C)CCc1ccccc1 ZINC001237482692 819760982 /nfs/dbraw/zinc/76/09/82/819760982.db2.gz NHUYNGRIAFBAAD-UHFFFAOYSA-N 0 1 255.361 3.375 20 10 CGCDMN Cc1cccc(O)c1CN1CCC[C@H]1C(=O)OC(C)(C)C ZINC001237489102 819762379 /nfs/dbraw/zinc/76/23/79/819762379.db2.gz FIVLEJCNCLVRFU-AWEZNQCLSA-N 0 1 291.391 3.007 20 10 CGCDMN CC(C)[C@@H]1COCC[N@@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237800090 819846050 /nfs/dbraw/zinc/84/60/50/819846050.db2.gz WZPDJEQYCXJBGH-ZDUSSCGKSA-N 0 1 287.762 3.042 20 10 CGCDMN CC(C)[C@@H]1COCC[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237800090 819846060 /nfs/dbraw/zinc/84/60/60/819846060.db2.gz WZPDJEQYCXJBGH-ZDUSSCGKSA-N 0 1 287.762 3.042 20 10 CGCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001237933634 819883598 /nfs/dbraw/zinc/88/35/98/819883598.db2.gz FHDODKNBKUJDSX-OAHLLOKOSA-N 0 1 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CCc1nc(C)c(CN[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000291962639 372179233 /nfs/dbraw/zinc/17/92/33/372179233.db2.gz SDAOQVAUTWOTBM-GFCCVEGCSA-N 0 1 287.407 3.462 20 10 CGCDMN CC(C)[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCOC1 ZINC000293857160 372502882 /nfs/dbraw/zinc/50/28/82/372502882.db2.gz ICIOTILCDUFOTL-LLVKDONJSA-N 0 1 287.762 3.184 20 10 CGCDMN Cc1cc(O)c(CNCc2cc(F)cnc2Cl)cc1C ZINC000295122875 372694584 /nfs/dbraw/zinc/69/45/84/372694584.db2.gz NOANKMVABYVZSX-UHFFFAOYSA-N 0 1 294.757 3.486 20 10 CGCDMN CCOc1cccc(CN2CCC[C@@](C)(F)C2)c1O ZINC000295585706 372837024 /nfs/dbraw/zinc/83/70/24/372837024.db2.gz BTVGLWUHKNWYPU-OAHLLOKOSA-N 0 1 267.344 3.115 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cc(Cl)ccc1[O-] ZINC000296506474 373157539 /nfs/dbraw/zinc/15/75/39/373157539.db2.gz PIJMLPNTONUBEH-RNCFNFMXSA-N 0 1 269.772 3.264 20 10 CGCDMN CC[C@H](NCc1nccn1CC)c1ccc(C)cc1O ZINC000296652677 373209598 /nfs/dbraw/zinc/20/95/98/373209598.db2.gz YZWDDHSVFBXKCF-AWEZNQCLSA-N 0 1 273.380 3.158 20 10 CGCDMN COc1cc(O)c(CN(C)[C@H](C)c2ccco2)cc1OC ZINC000179682668 373905701 /nfs/dbraw/zinc/90/57/01/373905701.db2.gz FLWDBZPHWSCKJB-LLVKDONJSA-N 0 1 291.347 3.195 20 10 CGCDMN Oc1ccc(F)cc1CNC1(c2ccccc2F)CC1 ZINC000180773572 374044527 /nfs/dbraw/zinc/04/45/27/374044527.db2.gz LWXVPBAKVZIANL-UHFFFAOYSA-N 0 1 275.298 3.449 20 10 CGCDMN C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000184854983 374563987 /nfs/dbraw/zinc/56/39/87/374563987.db2.gz OPOGNFCHJOVNBU-BZNIZROVSA-N 0 1 291.778 3.430 20 10 CGCDMN C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Cl)ccc1[O-] ZINC000185735906 374726177 /nfs/dbraw/zinc/72/61/77/374726177.db2.gz TYJNAWBAKQIIEK-GMXVVIOVSA-N 0 1 283.799 3.247 20 10 CGCDMN C[C@@H]1CCSCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000191814215 375664450 /nfs/dbraw/zinc/66/44/50/375664450.db2.gz ICBQSCVCKCRISL-SNVBAGLBSA-N 0 1 271.813 3.373 20 10 CGCDMN Cc1cnc(CC[N@@H+](C)Cc2c([O-])cccc2Cl)s1 ZINC000271174201 378470392 /nfs/dbraw/zinc/47/03/92/378470392.db2.gz GFFDAORBKNQSNZ-UHFFFAOYSA-N 0 1 296.823 3.485 20 10 CGCDMN Cc1cnc(CC[N@H+](C)Cc2c([O-])cccc2Cl)s1 ZINC000271174201 378470398 /nfs/dbraw/zinc/47/03/98/378470398.db2.gz GFFDAORBKNQSNZ-UHFFFAOYSA-N 0 1 296.823 3.485 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000271888982 378512260 /nfs/dbraw/zinc/51/22/60/378512260.db2.gz WUGUYRNRBJYSGS-UHFFFAOYSA-N 0 1 281.783 3.191 20 10 CGCDMN C[N@@H+](CCOCc1ccccc1)Cc1cccc(F)c1[O-] ZINC000272419472 378633353 /nfs/dbraw/zinc/63/33/53/378633353.db2.gz LTRTXRPTSFLYNK-UHFFFAOYSA-N 0 1 289.350 3.180 20 10 CGCDMN C[C@@H]([NH2+]C[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000273403498 378744049 /nfs/dbraw/zinc/74/40/49/378744049.db2.gz NSTJRYGKSIBKCE-ZYHUDNBSSA-N 0 1 269.772 3.265 20 10 CGCDMN Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])o1 ZINC000273592911 378756027 /nfs/dbraw/zinc/75/60/27/378756027.db2.gz PSJUTNCPQUUIKW-YGRLFVJLSA-N 0 1 295.766 3.331 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000274035263 378766661 /nfs/dbraw/zinc/76/66/61/378766661.db2.gz BWYHDICNUNRJPR-IAQYHMDHSA-N 0 1 281.783 3.093 20 10 CGCDMN Cc1nnc([C@H](C)N[C@@H](C)c2ccc(C)cc2O)s1 ZINC000274122030 378780228 /nfs/dbraw/zinc/78/02/28/378780228.db2.gz AUEXTJBDHWPSKA-UWVGGRQHSA-N 0 1 277.393 3.272 20 10 CGCDMN Cc1nn(C(C)C)cc1CN(C)Cc1ccccc1O ZINC000281625348 379841106 /nfs/dbraw/zinc/84/11/06/379841106.db2.gz NXOYGXZHUIWKJR-UHFFFAOYSA-N 0 1 273.380 3.110 20 10 CGCDMN CN(C)c1ccc(CN2CCCC[C@H]2c2ccnn2C)cc1 ZINC000281260919 379826112 /nfs/dbraw/zinc/82/61/12/379826112.db2.gz NDINLJRPSPHHIQ-SFHVURJKSA-N 0 1 298.434 3.213 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])CC1CC(OCC)C1 ZINC000286238380 380180419 /nfs/dbraw/zinc/18/04/19/380180419.db2.gz CGYPSQFXAMTBJY-UHFFFAOYSA-N 0 1 277.408 3.419 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])CC1CC(OCC)C1 ZINC000286238380 380180429 /nfs/dbraw/zinc/18/04/29/380180429.db2.gz CGYPSQFXAMTBJY-UHFFFAOYSA-N 0 1 277.408 3.419 20 10 CGCDMN COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)C2CC2)c1[O-] ZINC000184680120 262025846 /nfs/dbraw/zinc/02/58/46/262025846.db2.gz LBNLPOOWUWWHCR-VIFPVBQESA-N 0 1 269.772 3.285 20 10 CGCDMN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)C2CC2)c1[O-] ZINC000184680120 262025849 /nfs/dbraw/zinc/02/58/49/262025849.db2.gz LBNLPOOWUWWHCR-VIFPVBQESA-N 0 1 269.772 3.285 20 10 CGCDMN Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000193457039 392877442 /nfs/dbraw/zinc/87/74/42/392877442.db2.gz UATFGYMOLYXCJV-QGZVFWFLSA-N 0 1 298.434 3.430 20 10 CGCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)c1nccs1 ZINC000230693343 393025357 /nfs/dbraw/zinc/02/53/57/393025357.db2.gz VTEOCMVXXYHVAV-VIFPVBQESA-N 0 1 282.796 3.395 20 10 CGCDMN C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000169520484 261433765 /nfs/dbraw/zinc/43/37/65/261433765.db2.gz AOCYTOVTKNCQLT-IAQYHMDHSA-N 0 1 291.778 3.430 20 10 CGCDMN C[C@@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185520931 262058693 /nfs/dbraw/zinc/05/86/93/262058693.db2.gz FRQQFKSRFPOQJT-AXFHLTTASA-N 0 1 271.788 3.103 20 10 CGCDMN CC1(C)[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@H]2CCCO[C@@H]21 ZINC000371798655 262157464 /nfs/dbraw/zinc/15/74/64/262157464.db2.gz CNYMNTFQZKTWLM-YUELXQCFSA-N 0 1 295.810 3.339 20 10 CGCDMN COc1ccc(CNCc2cc(F)ccc2OC)cc1C ZINC000275046224 263032432 /nfs/dbraw/zinc/03/24/32/263032432.db2.gz IXBSTQOYKZZXSJ-UHFFFAOYSA-N 0 1 289.350 3.441 20 10 CGCDMN CCn1ccnc1[C@H]1CCCCN1Cc1ccccc1O ZINC000281228445 263067317 /nfs/dbraw/zinc/06/73/17/263067317.db2.gz VNXDZURKQXBBBK-OAHLLOKOSA-N 0 1 285.391 3.336 20 10 CGCDMN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c([O-])cccc1Cl ZINC000368043417 267141336 /nfs/dbraw/zinc/14/13/36/267141336.db2.gz PMAFSOSEYZTCNX-OLZOCXBDSA-N 0 1 294.826 3.104 20 10 CGCDMN CC[C@@H](N[C@@H](C)c1nnc(C)s1)c1ccccc1O ZINC000274793722 328010914 /nfs/dbraw/zinc/01/09/14/328010914.db2.gz SOXBSBKMEYFEHX-JOYOIKCWSA-N 0 1 277.393 3.354 20 10 CGCDMN C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(F)ccc1[O-] ZINC000278955577 328232175 /nfs/dbraw/zinc/23/21/75/328232175.db2.gz ZSCGSSSHZKQGCX-GFCCVEGCSA-N 0 1 293.382 3.125 20 10 CGCDMN CCc1nnc([C@@H](C)N[C@@H](CC)c2ccc(C)cc2O)[nH]1 ZINC000280177851 522422226 /nfs/dbraw/zinc/42/22/26/522422226.db2.gz RMSVHMVCWYWTRO-YPMHNXCESA-N 0 1 288.395 3.183 20 10 CGCDMN COc1ccc(CNCc2cccc3c2OCO3)cc1C ZINC000040667218 524073260 /nfs/dbraw/zinc/07/32/60/524073260.db2.gz CJIBKEUBQYNKBV-UHFFFAOYSA-N 0 1 285.343 3.022 20 10 CGCDMN C[C@@H]([NH2+]CCC[C@H](C)CO)c1cc(Cl)ccc1[O-] ZINC000273485477 525440858 /nfs/dbraw/zinc/44/08/58/525440858.db2.gz NCGHPINSOASKLD-WDEREUQCSA-N 0 1 271.788 3.105 20 10 CGCDMN COc1cccc(CN(C)Cc2ccc(Cl)nc2)c1O ZINC000125747511 525913172 /nfs/dbraw/zinc/91/31/72/525913172.db2.gz OYJVFQLXVYCKPP-UHFFFAOYSA-N 0 1 292.766 3.081 20 10 CGCDMN CC1(C)C[N@H+](Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000378345335 529122889 /nfs/dbraw/zinc/12/28/89/529122889.db2.gz JGEHRTVYHWXUJY-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000378345335 529122891 /nfs/dbraw/zinc/12/28/91/529122891.db2.gz JGEHRTVYHWXUJY-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN COC1CCC(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000749922245 573059477 /nfs/dbraw/zinc/05/94/77/573059477.db2.gz BNCKAORLRHYHTQ-UHFFFAOYSA-N 0 1 283.799 3.340 20 10 CGCDMN Cc1occc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000725849185 572442095 /nfs/dbraw/zinc/44/20/95/572442095.db2.gz VCLHCRVVYFTLAA-UHFFFAOYSA-N 0 1 296.164 3.346 20 10 CGCDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1c(O)ccc2ccccc21 ZINC000086748192 600608485 /nfs/dbraw/zinc/60/84/85/600608485.db2.gz ZIYUENMFSDXOAR-UHFFFAOYSA-N 0 1 287.359 3.231 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccco2)c(Cl)c1 ZINC000840877402 618757958 /nfs/dbraw/zinc/75/79/58/618757958.db2.gz WFTULXUVHOCECP-UHFFFAOYSA-N 0 1 265.740 3.279 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2ccccc2C#N)c1 ZINC000182409344 619036612 /nfs/dbraw/zinc/03/66/12/619036612.db2.gz UYWLCFGBBQXJRU-GFCCVEGCSA-N 0 1 282.343 3.123 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c(Cl)c1 ZINC000840904280 619088288 /nfs/dbraw/zinc/08/82/88/619088288.db2.gz IJKLUDXMXCIETA-VXGBXAGGSA-N 0 1 294.826 3.069 20 10 CGCDMN COC1CCC([N@@H+](C)Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894027003 619354803 /nfs/dbraw/zinc/35/48/03/619354803.db2.gz OOFCJZAYIDERLO-UHFFFAOYSA-N 0 1 285.334 3.060 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895843854 619893305 /nfs/dbraw/zinc/89/33/05/619893305.db2.gz DKJMDWFXVVMDIK-QMTHXVAHSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897034151 620123635 /nfs/dbraw/zinc/12/36/35/620123635.db2.gz IOUHTPWYBNLIPN-UHFFFAOYSA-N 0 1 295.810 3.173 20 10 CGCDMN C[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(Cl)cc1[O-] ZINC000841751612 620375043 /nfs/dbraw/zinc/37/50/43/620375043.db2.gz IFWBSPVWRXPDPU-GWCFXTLKSA-N 0 1 283.799 3.247 20 10 CGCDMN Cc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1O ZINC000148629384 620403293 /nfs/dbraw/zinc/40/32/93/620403293.db2.gz NSHCLKWXPQNWMW-UHFFFAOYSA-N 0 1 297.763 3.155 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(Cl)cc1[O-] ZINC000841758602 620405557 /nfs/dbraw/zinc/40/55/57/620405557.db2.gz TUYDGBMKNFSJTM-SKDRFNHKSA-N 0 1 277.755 3.038 20 10 CGCDMN Cc1ccc([C@@H](C)NCc2cc(C3CC3)n(C)n2)c(O)c1C ZINC000927108040 620577539 /nfs/dbraw/zinc/57/75/39/620577539.db2.gz KBZVMPFWFJKXDO-CYBMUJFWSA-N 0 1 299.418 3.471 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000903302093 621668156 /nfs/dbraw/zinc/66/81/56/621668156.db2.gz YULUXJVKORMRPY-GDZNZVCISA-N 0 1 284.403 3.289 20 10 CGCDMN C[C@@H]([NH2+]C1CC(CCO)C1)c1ccc2ccccc2c1[O-] ZINC000903328874 621702206 /nfs/dbraw/zinc/70/22/06/621702206.db2.gz GJFJJAKPYIPBDB-DNOWBOINSA-N 0 1 285.387 3.357 20 10 CGCDMN COc1cc(C)cc(CN2Cc3ccccc3C2)c1O ZINC000164300087 622826810 /nfs/dbraw/zinc/82/68/10/622826810.db2.gz GFNSMSPFQURMQW-UHFFFAOYSA-N 0 1 269.344 3.225 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+](CCO)C1CCCCC1 ZINC000155138564 624433551 /nfs/dbraw/zinc/43/35/51/624433551.db2.gz OOWRPIXFMAEMGG-UHFFFAOYSA-N 0 1 283.799 3.173 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+](CCO)C1CCCCC1 ZINC000155138564 624433558 /nfs/dbraw/zinc/43/35/58/624433558.db2.gz OOWRPIXFMAEMGG-UHFFFAOYSA-N 0 1 283.799 3.173 20 10 CGCDMN CCC[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000170842003 624629809 /nfs/dbraw/zinc/62/98/09/624629809.db2.gz QDKGDSRTJALWOA-UHFFFAOYSA-N 0 1 299.370 3.171 20 10 CGCDMN COC[C@H](NCc1cccc(C)c1O)c1ccc(C)o1 ZINC000182529210 625009121 /nfs/dbraw/zinc/00/91/21/625009121.db2.gz BXSKEPGWLFJTEE-AWEZNQCLSA-N 0 1 275.348 3.079 20 10 CGCDMN COC[C@@H](NCc1cccc(C)c1O)c1ccc(C)o1 ZINC000182529226 625009155 /nfs/dbraw/zinc/00/91/55/625009155.db2.gz BXSKEPGWLFJTEE-CQSZACIVSA-N 0 1 275.348 3.079 20 10 CGCDMN CC[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc(Cl)c1[O-] ZINC000806138893 626360613 /nfs/dbraw/zinc/36/06/13/626360613.db2.gz DLVQAEUKKQEJCB-DOMZBBRYSA-N 0 1 296.842 3.428 20 10 CGCDMN CC1(C)C[N@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000751598742 626398157 /nfs/dbraw/zinc/39/81/57/626398157.db2.gz IHNRUUAJDADNMJ-UHFFFAOYSA-N 0 1 288.416 3.268 20 10 CGCDMN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000751598742 626398159 /nfs/dbraw/zinc/39/81/59/626398159.db2.gz IHNRUUAJDADNMJ-UHFFFAOYSA-N 0 1 288.416 3.268 20 10 CGCDMN COCCC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756762444 626730227 /nfs/dbraw/zinc/73/02/27/626730227.db2.gz ZZINHUSMLHKQLR-DGCLKSJQSA-N 0 1 293.382 3.486 20 10 CGCDMN CCC(CC)(CO)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756770901 626730536 /nfs/dbraw/zinc/73/05/36/626730536.db2.gz PIMHXMPMHLXTDY-YPMHNXCESA-N 0 1 295.398 3.468 20 10 CGCDMN C[C@@H]1C[C@@H](NCc2ncccc2F)c2c1c(F)ccc2O ZINC000756768176 626730872 /nfs/dbraw/zinc/73/08/72/626730872.db2.gz KQLKVKPZQKIFDB-BXKDBHETSA-N 0 1 290.313 3.404 20 10 CGCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1cncc(F)c1 ZINC000765607358 627262103 /nfs/dbraw/zinc/26/21/03/627262103.db2.gz CAEHCYSRACOODV-LLVKDONJSA-N 0 1 272.323 3.006 20 10 CGCDMN Oc1ccccc1CN(Cc1ccoc1)C[C@@H]1CCCO1 ZINC000768163301 627465046 /nfs/dbraw/zinc/46/50/46/627465046.db2.gz XXTQJIIDPDBERG-INIZCTEOSA-N 0 1 287.359 3.166 20 10 CGCDMN CCOc1ccc(O)c(CN(C)Cc2ccoc2)c1 ZINC000769006465 627516146 /nfs/dbraw/zinc/51/61/46/627516146.db2.gz URTDBBKEIVLRHV-UHFFFAOYSA-N 0 1 261.321 3.016 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769311672 627539134 /nfs/dbraw/zinc/53/91/34/627539134.db2.gz NWLMOHQTYYGZDS-CQSZACIVSA-N 0 1 291.782 3.079 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769311672 627539137 /nfs/dbraw/zinc/53/91/37/627539137.db2.gz NWLMOHQTYYGZDS-CQSZACIVSA-N 0 1 291.782 3.079 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770286601 627611744 /nfs/dbraw/zinc/61/17/44/627611744.db2.gz RYLUMLXHVXBCBB-FZMZJTMJSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770286601 627611747 /nfs/dbraw/zinc/61/17/47/627611747.db2.gz RYLUMLXHVXBCBB-FZMZJTMJSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770285295 627611991 /nfs/dbraw/zinc/61/19/91/627611991.db2.gz FPQDERKVJJMZTA-RISCZKNCSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770285295 627611993 /nfs/dbraw/zinc/61/19/93/627611993.db2.gz FPQDERKVJJMZTA-RISCZKNCSA-N 0 1 281.783 3.047 20 10 CGCDMN CC[C@H]([NH2+]C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775494281 628101316 /nfs/dbraw/zinc/10/13/16/628101316.db2.gz YXMMEMFZCTWPRI-ZDUSSCGKSA-N 0 1 269.772 3.265 20 10 CGCDMN CC[C@@H]([NH2+]CC1(O)CCC1)c1cc(Cl)ccc1[O-] ZINC000775503214 628101785 /nfs/dbraw/zinc/10/17/85/628101785.db2.gz DLDZYKNDNMNLIW-GFCCVEGCSA-N 0 1 269.772 3.001 20 10 CGCDMN CC[C@H]([NH2+][C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000775502808 628102097 /nfs/dbraw/zinc/10/20/97/628102097.db2.gz WCZBHUHCFDMOCP-AAEUAGOBSA-N 0 1 269.772 3.265 20 10 CGCDMN CC[C@@H]([NH2+][C@H](C)CCCO)c1cc(Cl)ccc1[O-] ZINC000775512729 628102851 /nfs/dbraw/zinc/10/28/51/628102851.db2.gz MEHZHCNVWZAQSO-ZWNOBZJWSA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@H]([NH2+][C@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000775523561 628103484 /nfs/dbraw/zinc/10/34/84/628103484.db2.gz LADRFPMWCVBFLV-JSGCOSHPSA-N 0 1 283.799 3.247 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H](C)S1 ZINC000775665177 628121787 /nfs/dbraw/zinc/12/17/87/628121787.db2.gz ZVKNDGPMXUAWMY-AOOOYVTPSA-N 0 1 271.813 3.371 20 10 CGCDMN CCN(Cc1ccoc1)Cc1cc(OC)c(OC)cc1O ZINC000775675067 628123885 /nfs/dbraw/zinc/12/38/85/628123885.db2.gz RGGXBIDLEMRXGM-UHFFFAOYSA-N 0 1 291.347 3.025 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H](CO)C(C)(C)C ZINC000775734410 628130719 /nfs/dbraw/zinc/13/07/19/628130719.db2.gz OSBJFCAPSKIBRQ-GFCCVEGCSA-N 0 1 289.778 3.024 20 10 CGCDMN COc1ccc(O)c(CNCc2cscc2Cl)c1 ZINC000776174883 628175692 /nfs/dbraw/zinc/17/56/92/628175692.db2.gz IOBKAGUGSLHXRU-UHFFFAOYSA-N 0 1 283.780 3.406 20 10 CGCDMN CC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cc(Cl)ccc1[O-] ZINC000779063580 628385929 /nfs/dbraw/zinc/38/59/29/628385929.db2.gz HBYYUXJYUIAHFQ-UBHSHLNASA-N 0 1 283.799 3.246 20 10 CGCDMN CN(C)c1ccc(CN(Cc2ccc(F)nc2)C2CC2)cc1 ZINC000779154361 628390939 /nfs/dbraw/zinc/39/09/39/628390939.db2.gz RXXMBFYCFCFUGZ-UHFFFAOYSA-N 0 1 299.393 3.451 20 10 CGCDMN COc1cccc2c1CN(Cc1cc3c(cc1O)CCC3)C2 ZINC000863320059 629531907 /nfs/dbraw/zinc/53/19/07/629531907.db2.gz GEVUSIRAKALEFC-UHFFFAOYSA-N 0 1 295.382 3.405 20 10 CGCDMN C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000863547238 629603613 /nfs/dbraw/zinc/60/36/13/629603613.db2.gz QGNARHZRFOEGDH-YVZVNANGSA-N 0 1 289.206 3.100 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@H](OC3CCC3)C2)ccc(F)c1F ZINC000864049631 629741321 /nfs/dbraw/zinc/74/13/21/629741321.db2.gz JWQHLGONDGQGGA-CYBMUJFWSA-N 0 1 297.345 3.204 20 10 CGCDMN CCCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000796523296 629794488 /nfs/dbraw/zinc/79/44/88/629794488.db2.gz YHBVXCQITVPEFM-AWEZNQCLSA-N 0 1 282.815 3.010 20 10 CGCDMN CC1=C[C@H](C)C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000797605253 629970066 /nfs/dbraw/zinc/97/00/66/629970066.db2.gz OHXCKYPGCFDORV-VIFPVBQESA-N 0 1 296.754 3.352 20 10 CGCDMN CC1=CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000798090394 630021906 /nfs/dbraw/zinc/02/19/06/630021906.db2.gz JYZRYVNMABHMRG-UHFFFAOYSA-N 0 1 282.727 3.106 20 10 CGCDMN CC1=CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000798089978 630022118 /nfs/dbraw/zinc/02/21/18/630022118.db2.gz CTFIABKCTQLSDY-UHFFFAOYSA-N 0 1 282.181 3.307 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000798965472 630132428 /nfs/dbraw/zinc/13/24/28/630132428.db2.gz YBDKOJUHNIWMKB-SNVBAGLBSA-N 0 1 287.762 3.186 20 10 CGCDMN CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000799352196 630174378 /nfs/dbraw/zinc/17/43/78/630174378.db2.gz OLBFOTDNHKHBSM-JSGCOSHPSA-N 0 1 269.772 3.093 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CNC1(C(F)F)CC1 ZINC000800311844 630265129 /nfs/dbraw/zinc/26/51/29/630265129.db2.gz SAHBRVPDSPCHPW-UHFFFAOYSA-N 0 1 265.662 3.072 20 10 CGCDMN CCc1nocc1CN(C)Cc1cc2c(cc1O)CCC2 ZINC000840087868 630587243 /nfs/dbraw/zinc/58/72/43/630587243.db2.gz COSUXYOYJHJKKW-UHFFFAOYSA-N 0 1 286.375 3.063 20 10 CGCDMN CC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000807839333 630600163 /nfs/dbraw/zinc/60/01/63/630600163.db2.gz LHYQMPPVBHYQLF-UHFFFAOYSA-N 0 1 274.147 3.115 20 10 CGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccoc1 ZINC000807837900 630600196 /nfs/dbraw/zinc/60/01/96/630600196.db2.gz FNQNIWJPYNIFQL-UHFFFAOYSA-N 0 1 286.114 3.222 20 10 CGCDMN Cc1cc(O)c(CNc2cnccc2-n2cccn2)cc1C ZINC000809631193 630767798 /nfs/dbraw/zinc/76/77/98/630767798.db2.gz BLQHZBMXJHVPJQ-UHFFFAOYSA-N 0 1 294.358 3.202 20 10 CGCDMN CC[C@H]([NH2+]CCCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810206920 630853974 /nfs/dbraw/zinc/85/39/74/630853974.db2.gz AKCCZRKZIDSFDS-LBPRGKRZSA-N 0 1 291.313 3.488 20 10 CGCDMN CN(C)c1ccc(CN2CC(c3ccccc3F)C2)cc1 ZINC000812790221 631309263 /nfs/dbraw/zinc/30/92/63/631309263.db2.gz MFMXONGCNJEDCI-UHFFFAOYSA-N 0 1 284.378 3.491 20 10 CGCDMN CS/C=C\C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684076 631450092 /nfs/dbraw/zinc/45/00/92/631450092.db2.gz CVCVLZSZUIOASD-IHWYPQMZSA-N 0 1 292.187 3.192 20 10 CGCDMN COc1cccc(O)c1CN1Cc2ccccc2O[C@H](C)C1 ZINC000814177410 631538694 /nfs/dbraw/zinc/53/86/94/631538694.db2.gz AYOMIDRMZRLBDN-CYBMUJFWSA-N 0 1 299.370 3.184 20 10 CGCDMN COc1ccc(CN(C)Cc2ccc(N(C)C)c(C)c2)cn1 ZINC000815074558 631711649 /nfs/dbraw/zinc/71/16/49/631711649.db2.gz XAFVJEJOTXACBX-UHFFFAOYSA-N 0 1 299.418 3.097 20 10 CGCDMN Cc1cc(CN2CC[C@@H](C)[C@@H](F)C2)ccc1N(C)C ZINC000815087975 631713898 /nfs/dbraw/zinc/71/38/98/631713898.db2.gz WVIGLMHCIWBZAR-DOMZBBRYSA-N 0 1 264.388 3.241 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](CO)C1CCCCC1 ZINC000815151317 631732033 /nfs/dbraw/zinc/73/20/33/631732033.db2.gz XQOKFWVTQHRFCF-CYBMUJFWSA-N 0 1 297.826 3.324 20 10 CGCDMN COc1cccc(CNCc2c(F)cc(F)cc2F)c1O ZINC000815152836 631732040 /nfs/dbraw/zinc/73/20/40/631732040.db2.gz WZCIKVPIBPKNPQ-UHFFFAOYSA-N 0 1 297.276 3.108 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816480139 631986811 /nfs/dbraw/zinc/98/68/11/631986811.db2.gz DRWLRGLAFQNZSW-SECBINFHSA-N 0 1 257.736 3.417 20 10 CGCDMN CC(C)(C)C[N@@H+](CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000816505129 631995865 /nfs/dbraw/zinc/99/58/65/631995865.db2.gz NSGNBKCBTVCOOI-UHFFFAOYSA-N 0 1 289.778 3.025 20 10 CGCDMN CCOC[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816518617 632003329 /nfs/dbraw/zinc/00/33/29/632003329.db2.gz HYIHRHLKCKNZOH-CQSZACIVSA-N 0 1 285.387 3.404 20 10 CGCDMN CCOC[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816518617 632003336 /nfs/dbraw/zinc/00/33/36/632003336.db2.gz HYIHRHLKCKNZOH-CQSZACIVSA-N 0 1 285.387 3.404 20 10 CGCDMN C[C@H](O)CC(C)(C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552437 632009889 /nfs/dbraw/zinc/00/98/89/632009889.db2.gz MIFPMFZWPAAFSK-ZDUSSCGKSA-N 0 1 287.403 3.432 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@@H]2CCC[C@H](O)C2)ccc2ccccc21 ZINC000816553501 632010070 /nfs/dbraw/zinc/01/00/70/632010070.db2.gz XRRAUVWAZIUGSF-CJNGLKHVSA-N 0 1 285.387 3.186 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@@H](C2CC2)O1 ZINC000816594954 632018895 /nfs/dbraw/zinc/01/88/95/632018895.db2.gz UODJGUGUPYDDTE-PSLIRLAXSA-N 0 1 299.773 3.184 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@H](CO)CC2)ccc2ccccc21 ZINC000816665612 632040777 /nfs/dbraw/zinc/04/07/77/632040777.db2.gz OMLSZXFMVGOWBA-CQSZACIVSA-N 0 1 285.387 3.140 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](CO)CC2)ccc2ccccc21 ZINC000816665612 632040778 /nfs/dbraw/zinc/04/07/78/632040778.db2.gz OMLSZXFMVGOWBA-CQSZACIVSA-N 0 1 285.387 3.140 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](C)N)c1ccc(Cl)c(Cl)c1[O-] ZINC000817973760 632265739 /nfs/dbraw/zinc/26/57/39/632265739.db2.gz WBXMGOZHCRFRQE-OIBJUYFYSA-N 0 1 277.195 3.087 20 10 CGCDMN C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817977226 632269256 /nfs/dbraw/zinc/26/92/56/632269256.db2.gz FDEAEZPUFJFNKN-CSMHCCOUSA-N 0 1 277.195 3.085 20 10 CGCDMN CCC[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])OC ZINC000824543168 633257269 /nfs/dbraw/zinc/25/72/69/633257269.db2.gz FSGRBVJOKWZAJU-HNNXBMFYSA-N 0 1 273.376 3.450 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H]2CCCOC2)cc1Cl ZINC000824719687 633279711 /nfs/dbraw/zinc/27/97/11/633279711.db2.gz GODXJFSASDKGRL-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2CCCOC2)cc1Cl ZINC000824719687 633279719 /nfs/dbraw/zinc/27/97/19/633279719.db2.gz GODXJFSASDKGRL-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@@H]1C ZINC000824815448 633295273 /nfs/dbraw/zinc/29/52/73/633295273.db2.gz PHADIHVQVBZQIB-TVQRCGJNSA-N 0 1 287.762 3.042 20 10 CGCDMN CCn1ccnc1[C@H](C)NCc1cc(C)c(C)cc1O ZINC000825005760 633317476 /nfs/dbraw/zinc/31/74/76/633317476.db2.gz RXBNZWUVUBZRNY-ZDUSSCGKSA-N 0 1 273.380 3.076 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)c2ccccc2)cc1Cl ZINC000825051230 633322744 /nfs/dbraw/zinc/32/27/44/633322744.db2.gz YPVDVZNORQRGTE-MRXNPFEDSA-N 0 1 291.778 3.177 20 10 CGCDMN Cc1n[nH]cc1CCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825096557 633327868 /nfs/dbraw/zinc/32/78/68/633327868.db2.gz HGIZQYLNTKXOMA-UHFFFAOYSA-N 0 1 293.798 3.108 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)CC(C)(C)C)cc1Cl ZINC000825284038 633341783 /nfs/dbraw/zinc/34/17/83/633341783.db2.gz WQOSKAWYNUXLPY-LBPRGKRZSA-N 0 1 285.815 3.241 20 10 CGCDMN CCC[C@@H](CCO)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825315810 633344922 /nfs/dbraw/zinc/34/49/22/633344922.db2.gz MXADOOAXJNTJCE-LBPRGKRZSA-N 0 1 285.815 3.242 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)c2ccsc2)cc1Cl ZINC000825537114 633362751 /nfs/dbraw/zinc/36/27/51/633362751.db2.gz RMCAUKOUVUDDFF-CYBMUJFWSA-N 0 1 297.807 3.239 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H](C2CC2)C(C)(C)CO)cc1Cl ZINC000825948961 633392068 /nfs/dbraw/zinc/39/20/68/633392068.db2.gz NJNAAZOSXKFMQC-HNNXBMFYSA-N 0 1 297.826 3.241 20 10 CGCDMN CC(C)n1ccnc1CNCc1cc(Cl)ccc1O ZINC000826139689 633407194 /nfs/dbraw/zinc/40/71/94/633407194.db2.gz LLHYGBXCZPKKNZ-UHFFFAOYSA-N 0 1 279.771 3.113 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)Cc2ccccn2)cc1Cl ZINC000826534451 633411025 /nfs/dbraw/zinc/41/10/25/633411025.db2.gz GPTQQJWMMYFADO-LBPRGKRZSA-N 0 1 290.794 3.470 20 10 CGCDMN COC1CC(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000826796868 633433485 /nfs/dbraw/zinc/43/34/85/633433485.db2.gz OIDAVKNGECPZRD-UHFFFAOYSA-N 0 1 283.799 3.259 20 10 CGCDMN C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000827284945 633478581 /nfs/dbraw/zinc/47/85/81/633478581.db2.gz WZDFZJHZOVXGCH-MAUKXSAKSA-N 0 1 283.371 3.014 20 10 CGCDMN C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000827284945 633478583 /nfs/dbraw/zinc/47/85/83/633478583.db2.gz WZDFZJHZOVXGCH-MAUKXSAKSA-N 0 1 283.371 3.014 20 10 CGCDMN Cc1cncc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000123060043 633558381 /nfs/dbraw/zinc/55/83/81/633558381.db2.gz SAKOEJJENDWNGT-UHFFFAOYSA-N 0 1 262.740 3.039 20 10 CGCDMN C[C@H](N[C@@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834830650 634250786 /nfs/dbraw/zinc/25/07/86/634250786.db2.gz FZZPUMRHCLPGFH-JOYOIKCWSA-N 0 1 277.755 3.038 20 10 CGCDMN CCn1ccnc1CN[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000834880406 634263237 /nfs/dbraw/zinc/26/32/37/634263237.db2.gz YCHOQBDSBSZNJW-NSHDSACASA-N 0 1 293.798 3.421 20 10 CGCDMN CC(C)n1ccc(CNC/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835039728 634329652 /nfs/dbraw/zinc/32/96/52/634329652.db2.gz JFCKJXRGOIIVFV-WAYWQWQTSA-N 0 1 298.434 3.333 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@H]2C2CC2)ccc(F)c1F ZINC000876689364 634881936 /nfs/dbraw/zinc/88/19/36/634881936.db2.gz CKKCZVRKEIDGBV-GFCCVEGCSA-N 0 1 253.292 3.045 20 10 CGCDMN Cc1cnc(C(C)(C)NCc2ccc(C)cc2O)s1 ZINC000877080595 634977046 /nfs/dbraw/zinc/97/70/46/634977046.db2.gz FITYNHILISOYKG-UHFFFAOYSA-N 0 1 276.405 3.490 20 10 CGCDMN CC[C@H](N[C@H](C)c1ccn(C)n1)c1ccc(N(C)C)cc1 ZINC000840818419 635058488 /nfs/dbraw/zinc/05/84/88/635058488.db2.gz XUSQHYJLENXJQY-CJNGLKHVSA-N 0 1 286.423 3.288 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCC(=O)OC(C)(C)C)c(Cl)c1 ZINC000840898950 635077900 /nfs/dbraw/zinc/07/79/00/635077900.db2.gz HUQYUINXQHECJX-UHFFFAOYSA-N 0 1 299.798 3.175 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000840943313 635088661 /nfs/dbraw/zinc/08/86/61/635088661.db2.gz LHDZKXHGKQNEAM-GOEBONIOSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000840943313 635088666 /nfs/dbraw/zinc/08/86/66/635088666.db2.gz LHDZKXHGKQNEAM-GOEBONIOSA-N 0 1 295.810 3.497 20 10 CGCDMN COCC[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000840955899 635092996 /nfs/dbraw/zinc/09/29/96/635092996.db2.gz ZZUIVVQQGNVXJU-CYBMUJFWSA-N 0 1 273.376 3.308 20 10 CGCDMN Cc1cnc(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000877591203 635105276 /nfs/dbraw/zinc/10/52/76/635105276.db2.gz BIUCKAMGXIWZEU-ZDUSSCGKSA-N 0 1 287.407 3.078 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccc(N)cc2)c(Cl)c1 ZINC000841038477 635111050 /nfs/dbraw/zinc/11/10/50/635111050.db2.gz KGOQVVKUNXUDOL-UHFFFAOYSA-N 0 1 290.794 3.269 20 10 CGCDMN Oc1ccc(Cl)cc1CNCc1cc(C2CC2)no1 ZINC000877612561 635112404 /nfs/dbraw/zinc/11/24/04/635112404.db2.gz KWAOKXDSOKBJOZ-UHFFFAOYSA-N 0 1 278.739 3.201 20 10 CGCDMN CO[C@@H](C[N@H+]1Cc2cccc(O)c2C1)C1CCCCC1 ZINC000877702617 635154082 /nfs/dbraw/zinc/15/40/82/635154082.db2.gz DYKZDUIRHYMGJK-KRWDZBQOSA-N 0 1 275.392 3.303 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877739388 635173948 /nfs/dbraw/zinc/17/39/48/635173948.db2.gz SBEOAAUJJGPGMU-VXGBXAGGSA-N 0 1 283.824 3.231 20 10 CGCDMN CCN(CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(C)C ZINC000841748044 635224329 /nfs/dbraw/zinc/22/43/29/635224329.db2.gz VMLUIHVLSIVMBW-LBPRGKRZSA-N 0 1 284.831 3.427 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841764114 635232791 /nfs/dbraw/zinc/23/27/91/635232791.db2.gz PFEXADVTFPNQHH-FZMZJTMJSA-N 0 1 294.826 3.181 20 10 CGCDMN CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000842920757 635511607 /nfs/dbraw/zinc/51/16/07/635511607.db2.gz ZYDGGTVOVXQKRR-GMXVVIOVSA-N 0 1 285.815 3.493 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCOC[C@@H]1C1CCC1 ZINC000843429045 635672871 /nfs/dbraw/zinc/67/28/71/635672871.db2.gz QSTZKWUDHMNUEP-CQSZACIVSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000843429045 635672874 /nfs/dbraw/zinc/67/28/74/635672874.db2.gz QSTZKWUDHMNUEP-CQSZACIVSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000843429045 635672877 /nfs/dbraw/zinc/67/28/77/635672877.db2.gz QSTZKWUDHMNUEP-CQSZACIVSA-N 0 1 299.773 3.186 20 10 CGCDMN C[C@@H](NCc1noc2c1CCCC2)c1ccccc1O ZINC000879648522 635825699 /nfs/dbraw/zinc/82/56/99/635825699.db2.gz RZTUDDXZTFPFBK-LLVKDONJSA-N 0 1 272.348 3.110 20 10 CGCDMN CC(C)(C)c1cc(O)c(O)c(CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844751695 635959298 /nfs/dbraw/zinc/95/92/98/635959298.db2.gz COYPGHWGKHYHHK-TXEJJXNPSA-N 0 1 297.345 3.092 20 10 CGCDMN C[C@@H]1CC([NH2+]Cc2c([O-])cccc2Cl)C[C@@H](C)O1 ZINC000128636714 636051596 /nfs/dbraw/zinc/05/15/96/636051596.db2.gz XJDZCLOHUFQPQC-NXEZZACHSA-N 0 1 269.772 3.091 20 10 CGCDMN COc1cccc([C@@H](C)NCc2ccc(Cl)o2)c1O ZINC000846158734 636150333 /nfs/dbraw/zinc/15/03/33/636150333.db2.gz KHIUJNYEIFPQSG-SECBINFHSA-N 0 1 281.739 3.498 20 10 CGCDMN CCc1nc(C)c(CN[C@@H](C)c2cccc(OC)c2O)o1 ZINC000846170451 636153043 /nfs/dbraw/zinc/15/30/43/636153043.db2.gz NZTSYOCEBKRZBU-JTQLQIEISA-N 0 1 290.363 3.110 20 10 CGCDMN Cc1nc(C)c(CN(C)Cc2ccc(N(C)C)cc2)s1 ZINC000130204379 636432346 /nfs/dbraw/zinc/43/23/46/636432346.db2.gz RVMNDVFZPMZIAC-UHFFFAOYSA-N 0 1 289.448 3.458 20 10 CGCDMN CCc1cccc(CN2CCC[C@H]2c2ncc[nH]2)c1O ZINC000848903399 636682728 /nfs/dbraw/zinc/68/27/28/636682728.db2.gz RWCGNKMBLIKOLG-AWEZNQCLSA-N 0 1 271.364 3.015 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H]1CCN1CC)c1cc(Cl)ccc1[O-] ZINC000883355673 636697222 /nfs/dbraw/zinc/69/72/22/636697222.db2.gz WAEGFWBSSUBDQI-JSGCOSHPSA-N 0 1 282.815 3.181 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2cnccc2C)c(Cl)c1 ZINC000850356150 637026213 /nfs/dbraw/zinc/02/62/13/637026213.db2.gz RVYOKGWSJAEOOA-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(Cl)cc1[O-] ZINC000850481967 637085356 /nfs/dbraw/zinc/08/53/56/637085356.db2.gz LMDIHMMHVCLDLD-KOLCDFICSA-N 0 1 269.772 3.264 20 10 CGCDMN C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000850544771 637115990 /nfs/dbraw/zinc/11/59/90/637115990.db2.gz JSVSIMPOGCDVCA-JQWIXIFHSA-N 0 1 283.799 3.105 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000850544772 637116093 /nfs/dbraw/zinc/11/60/93/637116093.db2.gz JSVSIMPOGCDVCA-PWSUYJOCSA-N 0 1 283.799 3.105 20 10 CGCDMN CN(CC(=O)c1c[nH]c2ccccc12)Cc1ccccc1O ZINC000109773553 637266942 /nfs/dbraw/zinc/26/69/42/637266942.db2.gz JBRQVRFOHXCXBY-UHFFFAOYSA-N 0 1 294.354 3.188 20 10 CGCDMN Cc1cc(Cl)cc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1O ZINC000854244193 638031903 /nfs/dbraw/zinc/03/19/03/638031903.db2.gz UCVNFUMLYOFKPX-UHFFFAOYSA-N 0 1 299.798 3.287 20 10 CGCDMN CN(Cc1cc(-c2ccccc2)n[nH]1)Cc1ccccc1O ZINC000091974749 640727674 /nfs/dbraw/zinc/72/76/74/640727674.db2.gz QFCANGNXURURAR-UHFFFAOYSA-N 0 1 293.370 3.414 20 10 CGCDMN COCCN(Cc1ccco1)Cc1cc(Cl)ccc1O ZINC000092562023 640741112 /nfs/dbraw/zinc/74/11/12/640741112.db2.gz PZBCCTBAQKEPNP-UHFFFAOYSA-N 0 1 295.766 3.287 20 10 CGCDMN CCN1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC001254720985 806487091 /nfs/dbraw/zinc/48/70/91/806487091.db2.gz FGJVCEOTZTWQGH-NWDGAFQWSA-N 0 1 298.377 3.053 20 10 CGCDMN C[C@@H](CN1CCCCC1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000037154195 798861248 /nfs/dbraw/zinc/86/12/48/798861248.db2.gz QBJDSCQTAMDOQG-LBPRGKRZSA-N 0 1 282.815 3.010 20 10 CGCDMN C[C@@H]1CCC[C@H](C[NH2+]Cc2c([O-])cccc2Cl)O1 ZINC000688900960 799757744 /nfs/dbraw/zinc/75/77/44/799757744.db2.gz QBVMNECRGFRJEQ-GHMZBOCLSA-N 0 1 269.772 3.093 20 10 CGCDMN Cc1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)nc1 ZINC000689472962 799764777 /nfs/dbraw/zinc/76/47/77/799764777.db2.gz WLWXRWAMXHPTNG-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000694248171 799820835 /nfs/dbraw/zinc/82/08/35/799820835.db2.gz MJMBNWLLWUTIBM-ZWKOPEQDSA-N 0 1 251.757 3.324 20 10 CGCDMN COc1ccc(NCc2ccc(F)c(F)c2O)cc1F ZINC000703347440 799923342 /nfs/dbraw/zinc/92/33/42/799923342.db2.gz JHQPVZGJSXLWSL-UHFFFAOYSA-N 0 1 283.249 3.430 20 10 CGCDMN CC[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H](CC)CO1 ZINC000703499982 799923730 /nfs/dbraw/zinc/92/37/30/799923730.db2.gz ASZXWMOXYQZXLG-NWDGAFQWSA-N 0 1 285.334 3.060 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@@H](CC)CO1 ZINC000703499982 799923736 /nfs/dbraw/zinc/92/37/36/799923736.db2.gz ASZXWMOXYQZXLG-NWDGAFQWSA-N 0 1 285.334 3.060 20 10 CGCDMN CCOC1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000705965458 799957172 /nfs/dbraw/zinc/95/71/72/799957172.db2.gz OPESDGWOIAAURZ-UHFFFAOYSA-N 0 1 283.799 3.483 20 10 CGCDMN CC/C=C/C[NH2+]Cc1c([O-])cccc1Br ZINC000706835691 799967133 /nfs/dbraw/zinc/96/71/33/799967133.db2.gz MZXFWTAPQLACRJ-ONEGZZNKSA-N 0 1 270.170 3.211 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH+]1CCCCC1 ZINC000707171248 799974811 /nfs/dbraw/zinc/97/48/11/799974811.db2.gz IIVDTKDYBRFYKR-UHFFFAOYSA-N 0 1 270.170 3.141 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722320321 800312799 /nfs/dbraw/zinc/31/27/99/800312799.db2.gz LOYHYUCKSYQJCX-NHYWBVRUSA-N 0 1 281.783 3.093 20 10 CGCDMN C[N@@H+](Cc1cccc(F)c1)Cc1c([O-])cccc1F ZINC001137831591 803777656 /nfs/dbraw/zinc/77/76/56/803777656.db2.gz GSTPPRJUZMAAOX-UHFFFAOYSA-N 0 1 263.287 3.302 20 10 CGCDMN O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138131009 803866209 /nfs/dbraw/zinc/86/62/09/803866209.db2.gz NGTGQQURKQBKNK-HNNXBMFYSA-N 0 1 299.345 3.236 20 10 CGCDMN CN1CCCc2cc(C[N@H+]3CCCC[C@@H](F)C3)ccc21 ZINC001138354367 803901452 /nfs/dbraw/zinc/90/14/52/803901452.db2.gz HCSWSBRCFDGMHR-MRXNPFEDSA-N 0 1 276.399 3.393 20 10 CGCDMN CC1(C)[C@@H]2C[N@H+](Cc3c(O)cccc3Br)C[C@@H]21 ZINC001140101273 804377751 /nfs/dbraw/zinc/37/77/51/804377751.db2.gz OLITWEBZJLSWMH-PHIMTYICSA-N 0 1 296.208 3.243 20 10 CGCDMN CC1(C)[C@@H]2C[N@@H+](Cc3c([O-])cccc3Br)C[C@@H]21 ZINC001140101273 804377759 /nfs/dbraw/zinc/37/77/59/804377759.db2.gz OLITWEBZJLSWMH-PHIMTYICSA-N 0 1 296.208 3.243 20 10 CGCDMN CC1(C)[C@@H]2C[N@H+](Cc3c([O-])cccc3Br)C[C@@H]21 ZINC001140101273 804377768 /nfs/dbraw/zinc/37/77/68/804377768.db2.gz OLITWEBZJLSWMH-PHIMTYICSA-N 0 1 296.208 3.243 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2ccc(O)cc2F)cc1 ZINC001140130018 804382634 /nfs/dbraw/zinc/38/26/34/804382634.db2.gz QYMVZBKBYLPOEG-UHFFFAOYSA-N 0 1 288.366 3.229 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001140338042 804418325 /nfs/dbraw/zinc/41/83/25/804418325.db2.gz SLOBJPSUDKNRGR-XHDPSFHLSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001140338042 804418328 /nfs/dbraw/zinc/41/83/28/804418328.db2.gz SLOBJPSUDKNRGR-XHDPSFHLSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001140338995 804419879 /nfs/dbraw/zinc/41/98/79/804419879.db2.gz QLMADDPWGBTWMY-OAHLLOKOSA-N 0 1 281.783 3.048 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001140338995 804419881 /nfs/dbraw/zinc/41/98/81/804419881.db2.gz QLMADDPWGBTWMY-OAHLLOKOSA-N 0 1 281.783 3.048 20 10 CGCDMN Oc1cccc(Cl)c1CN1CC2(C1)C[C@@H](F)CS2 ZINC001140342063 804420779 /nfs/dbraw/zinc/42/07/79/804420779.db2.gz RMSSJYBRBNCCOF-SECBINFHSA-N 0 1 287.787 3.075 20 10 CGCDMN C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])C2(CC2)C1 ZINC001140464352 804442200 /nfs/dbraw/zinc/44/22/00/804442200.db2.gz MJUKBLIPMUYOFO-SNVBAGLBSA-N 0 1 251.757 3.420 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])C2(CC2)C1 ZINC001140464352 804442206 /nfs/dbraw/zinc/44/22/06/804442206.db2.gz MJUKBLIPMUYOFO-SNVBAGLBSA-N 0 1 251.757 3.420 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CCCC[C@@H](C)C2)c(OC)c1 ZINC001141031452 804575241 /nfs/dbraw/zinc/57/52/41/804575241.db2.gz FFVCSBQVENNESD-GFCCVEGCSA-N 0 1 279.380 3.031 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCCC[C@@H](C)C2)c(OC)c1 ZINC001141031452 804575246 /nfs/dbraw/zinc/57/52/46/804575246.db2.gz FFVCSBQVENNESD-GFCCVEGCSA-N 0 1 279.380 3.031 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCCC[C@@H](C)C2)c(OC)c1 ZINC001141031452 804575251 /nfs/dbraw/zinc/57/52/51/804575251.db2.gz FFVCSBQVENNESD-GFCCVEGCSA-N 0 1 279.380 3.031 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c(OC)c1 ZINC001141032328 804575695 /nfs/dbraw/zinc/57/56/95/804575695.db2.gz YINNTILDQMRQPN-QWHCGFSZSA-N 0 1 293.407 3.277 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)[C@H](C)C2)c(OC)c1 ZINC001141032328 804575698 /nfs/dbraw/zinc/57/56/98/804575698.db2.gz YINNTILDQMRQPN-QWHCGFSZSA-N 0 1 293.407 3.277 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c(OC)c1 ZINC001141032328 804575701 /nfs/dbraw/zinc/57/57/01/804575701.db2.gz YINNTILDQMRQPN-QWHCGFSZSA-N 0 1 293.407 3.277 20 10 CGCDMN COc1ccccc1C[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142521069 804731439 /nfs/dbraw/zinc/73/14/39/804731439.db2.gz WJYAKUBWJHJLPE-UHFFFAOYSA-N 0 1 293.313 3.311 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC001261366863 807739537 /nfs/dbraw/zinc/73/95/37/807739537.db2.gz IIHBQQIVEBGMQS-BLLLJJGKSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC001261366863 807739541 /nfs/dbraw/zinc/73/95/41/807739541.db2.gz IIHBQQIVEBGMQS-BLLLJJGKSA-N 0 1 295.810 3.355 20 10 CGCDMN Oc1cc2ccccc2cc1CNc1ccnc2[nH]cnc21 ZINC001171405289 808047630 /nfs/dbraw/zinc/04/76/30/808047630.db2.gz UCQLNXJSPZKVDA-UHFFFAOYSA-N 0 1 290.326 3.429 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCN2CCC(C)(C)C2)c(Cl)c1 ZINC001179767886 809943468 /nfs/dbraw/zinc/94/34/68/809943468.db2.gz HOLITXGFNAPLAQ-UHFFFAOYSA-N 0 1 296.842 3.176 20 10 CGCDMN CO[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[O-])C12CCC2 ZINC001182249709 810100023 /nfs/dbraw/zinc/10/00/23/810100023.db2.gz GFCWBHXYCFTQBX-KBPBESRZSA-N 0 1 281.783 3.093 20 10 CGCDMN C[C@@H]1CN(Cc2ccc(O)c(O)c2)Cc2ccccc21 ZINC001203875149 812478846 /nfs/dbraw/zinc/47/88/46/812478846.db2.gz IWZLBWTUVUMZLU-GFCCVEGCSA-N 0 1 269.344 3.217 20 10 CGCDMN CN(C)c1ccc(CN(C2CC2)C2COC2)c2ccccc21 ZINC001204240014 812581274 /nfs/dbraw/zinc/58/12/74/812581274.db2.gz GBCGTOZIYCNSDP-UHFFFAOYSA-N 0 1 296.414 3.269 20 10 CGCDMN c1cc2c(cn1)CCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204320187 812611874 /nfs/dbraw/zinc/61/18/74/812611874.db2.gz NZDACJYLAMMMGT-UHFFFAOYSA-N 0 1 293.414 3.240 20 10 CGCDMN CCCC1CCN(Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204343252 812615836 /nfs/dbraw/zinc/61/58/36/812615836.db2.gz RAUQITSKYHKOIT-UHFFFAOYSA-N 0 1 279.380 3.119 20 10 CGCDMN COc1cc(C)c(C[N@H+]2CCC[C@@H]2C(C)C)c(O)c1 ZINC001204657474 812701722 /nfs/dbraw/zinc/70/17/22/812701722.db2.gz GHLUXYVFCBDXDN-OAHLLOKOSA-N 0 1 263.381 3.330 20 10 CGCDMN C[N@@H+](Cc1ccccc1F)Cc1cc(F)cc(F)c1[O-] ZINC001204713702 812714646 /nfs/dbraw/zinc/71/46/46/812714646.db2.gz GIYOCNGPYZBSCL-UHFFFAOYSA-N 0 1 281.277 3.442 20 10 CGCDMN CC[C@@]1(O)CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC001207103137 813487139 /nfs/dbraw/zinc/48/71/39/813487139.db2.gz VSALTSHNGSVLPM-OAHLLOKOSA-N 0 1 283.799 3.091 20 10 CGCDMN CC[C@@]1(O)CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC001207103137 813487142 /nfs/dbraw/zinc/48/71/42/813487142.db2.gz 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263.337 3.151 20 10 CGCDMN C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000273475311 378747665 /nfs/dbraw/zinc/74/76/65/378747665.db2.gz KNLYUWSPIAUPSZ-ZIAGYGMSSA-N 0 1 295.386 3.481 20 10 CGCDMN Cc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c(O)c1 ZINC000373519868 379291617 /nfs/dbraw/zinc/29/16/17/379291617.db2.gz GWHUAKMWJFDZHL-QQFBHYJXSA-N 0 1 288.435 3.368 20 10 CGCDMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccoc1 ZINC000285068382 380142145 /nfs/dbraw/zinc/14/21/45/380142145.db2.gz JZJOJLPEOPJBHE-UHFFFAOYSA-N 0 1 295.360 3.218 20 10 CGCDMN COc1cc(Cl)cc(CNCc2nc(C)cs2)c1O ZINC000228670728 393020468 /nfs/dbraw/zinc/02/04/68/393020468.db2.gz JQKSJSJQQYIOBN-UHFFFAOYSA-N 0 1 298.795 3.109 20 10 CGCDMN Cc1csc(CN[C@H](C)c2ccc(C)cc2O)n1 ZINC000038090845 174104669 /nfs/dbraw/zinc/10/46/69/174104669.db2.gz QDTTZMSTZADQBB-LLVKDONJSA-N 0 1 262.378 3.316 20 10 CGCDMN COc1cc(Cl)cc(C[N@H+](C)[C@H](C)C2CC2)c1[O-] ZINC000184680146 262025970 /nfs/dbraw/zinc/02/59/70/262025970.db2.gz LBNLPOOWUWWHCR-SECBINFHSA-N 0 1 269.772 3.285 20 10 CGCDMN COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)C2CC2)c1[O-] ZINC000184680146 262025972 /nfs/dbraw/zinc/02/59/72/262025972.db2.gz LBNLPOOWUWWHCR-SECBINFHSA-N 0 1 269.772 3.285 20 10 CGCDMN C[C@H]([NH2+]CCc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000184839184 262030594 /nfs/dbraw/zinc/03/05/94/262030594.db2.gz ZHLLJKVEQQNDDB-NSHDSACASA-N 0 1 276.767 3.334 20 10 CGCDMN CC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185676849 262065866 /nfs/dbraw/zinc/06/58/66/262065866.db2.gz PQEOSTHQNQQWPC-QWRGUYRKSA-N 0 1 271.788 3.105 20 10 CGCDMN C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000186558616 262099148 /nfs/dbraw/zinc/09/91/48/262099148.db2.gz CRPWLENWWKRMGF-GWCFXTLKSA-N 0 1 295.766 3.413 20 10 CGCDMN C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc2ccccc2c1[O-] ZINC000185142147 262303295 /nfs/dbraw/zinc/30/32/95/262303295.db2.gz XTIAGWVGASWRGY-UKRRQHHQSA-N 0 1 284.403 3.290 20 10 CGCDMN Cc1cccc(CCC[NH2+]Cc2c([O-])cccc2Cl)n1 ZINC000285390169 263092696 /nfs/dbraw/zinc/09/26/96/263092696.db2.gz BWDKRLUIVVJLMX-UHFFFAOYSA-N 0 1 290.794 3.471 20 10 CGCDMN CC(C)N1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187766778 279481915 /nfs/dbraw/zinc/48/19/15/279481915.db2.gz WLEXVHHDISOCRB-LLVKDONJSA-N 0 1 298.377 3.194 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc2ccccc2c1[O-] ZINC000185830527 327846802 /nfs/dbraw/zinc/84/68/02/327846802.db2.gz FGMBSYBHSUMWHI-VNHYZAJKSA-N 0 1 283.371 3.133 20 10 CGCDMN CCc1nc(C)c(CN[C@@H](C)c2cc(F)ccc2O)o1 ZINC000291855749 328124834 /nfs/dbraw/zinc/12/48/34/328124834.db2.gz HDYQXHKPBLKYCU-VIFPVBQESA-N 0 1 278.327 3.241 20 10 CGCDMN Cc1ccc([C@@H](C)NCc2nnc(C(C)C)[nH]2)c(O)c1C ZINC000296266782 328289981 /nfs/dbraw/zinc/28/99/81/328289981.db2.gz DLSZBRDTDFMOCV-GFCCVEGCSA-N 0 1 288.395 3.101 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000377827034 329030634 /nfs/dbraw/zinc/03/06/34/329030634.db2.gz SDCILQVHARRUAJ-UONOGXRCSA-N 0 1 293.382 3.170 20 10 CGCDMN CC1(C)CC[N@@H+](Cc2cccc(F)c2[O-])CCS1 ZINC000279386582 520379954 /nfs/dbraw/zinc/37/99/54/520379954.db2.gz JWTXQPHTZXOREQ-UHFFFAOYSA-N 0 1 269.385 3.249 20 10 CGCDMN CCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC1 ZINC000278219065 520544361 /nfs/dbraw/zinc/54/43/61/520544361.db2.gz LHUXISXASWMVOC-UHFFFAOYSA-N 0 1 294.351 3.074 20 10 CGCDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CCCC1 ZINC000278194968 521330160 /nfs/dbraw/zinc/33/01/60/521330160.db2.gz ILRDMJOUAOZCEQ-UHFFFAOYSA-N 0 1 294.351 3.074 20 10 CGCDMN COC[C@@H](NCc1cc(C)c(C)cc1O)c1ccco1 ZINC000080239804 522359959 /nfs/dbraw/zinc/35/99/59/522359959.db2.gz LHALSGRNGRNTAB-CQSZACIVSA-N 0 1 275.348 3.079 20 10 CGCDMN CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000087011712 523674043 /nfs/dbraw/zinc/67/40/43/523674043.db2.gz UUCXKWRBNABXQY-SJKOYZFVSA-N 0 1 273.376 3.357 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000289592366 526329010 /nfs/dbraw/zinc/32/90/10/526329010.db2.gz UPSMLQIIIBHQTK-UHFFFAOYSA-N 0 1 273.307 3.414 20 10 CGCDMN COCCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732205038 572451550 /nfs/dbraw/zinc/45/15/50/572451550.db2.gz XWJUIVKGXBQRQA-UHFFFAOYSA-N 0 1 263.381 3.173 20 10 CGCDMN COCCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732205038 572451553 /nfs/dbraw/zinc/45/15/53/572451553.db2.gz XWJUIVKGXBQRQA-UHFFFAOYSA-N 0 1 263.381 3.173 20 10 CGCDMN CO[C@]1(C)C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1(C)C ZINC000744448316 572753931 /nfs/dbraw/zinc/75/39/31/572753931.db2.gz IBYQQUHVMDVKPH-UKRRQHHQSA-N 0 1 283.799 3.339 20 10 CGCDMN CCOCc1cc(CNCc2ccoc2C)ccc1OC ZINC000747853130 572951742 /nfs/dbraw/zinc/95/17/42/572951742.db2.gz ZMJUUEFOUOEIFP-UHFFFAOYSA-N 0 1 289.375 3.423 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOc1ccccc1 ZINC000083551399 618009401 /nfs/dbraw/zinc/00/94/01/618009401.db2.gz WDLTUIWFZUQSSZ-UHFFFAOYSA-N 0 1 277.751 3.214 20 10 CGCDMN COC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000307789397 618078871 /nfs/dbraw/zinc/07/88/71/618078871.db2.gz UZRGJLDKQCQZGI-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN COC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000307789397 618078874 /nfs/dbraw/zinc/07/88/74/618078874.db2.gz UZRGJLDKQCQZGI-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])CC1CC1 ZINC000069238672 618167969 /nfs/dbraw/zinc/16/79/69/618167969.db2.gz UYXDCDUNVNPTQE-UHFFFAOYSA-N 0 1 281.783 3.480 20 10 CGCDMN O=[N+]([O-])c1ccc(CNCc2ccccc2O)c(Cl)c1 ZINC000168126216 618724834 /nfs/dbraw/zinc/72/48/34/618724834.db2.gz SWSAOWVTMZGHQY-UHFFFAOYSA-N 0 1 292.722 3.244 20 10 CGCDMN Cc1ccoc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000310514850 618798017 /nfs/dbraw/zinc/79/80/17/618798017.db2.gz MDPKSSAGIPCRNY-UHFFFAOYSA-N 0 1 296.164 3.346 20 10 CGCDMN COc1ccnc([C@@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000924573340 618855957 /nfs/dbraw/zinc/85/59/57/618855957.db2.gz IASGHPVFDFPTJB-CYBMUJFWSA-N 0 1 285.391 3.007 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775494098 619074811 /nfs/dbraw/zinc/07/48/11/619074811.db2.gz YCDKTSPKUKTTKW-MWLCHTKSSA-N 0 1 297.704 3.010 20 10 CGCDMN CC(C)[N@@H+](Cc1ccccn1)Cc1cc(F)cc(F)c1[O-] ZINC000893967443 619341886 /nfs/dbraw/zinc/34/18/86/619341886.db2.gz LRFQBMXKUJURBI-UHFFFAOYSA-N 0 1 292.329 3.476 20 10 CGCDMN COc1ccc(CNCc2cc(C)cnc2Cl)c(O)c1 ZINC000894185274 619408739 /nfs/dbraw/zinc/40/87/39/619408739.db2.gz LTOJEAHLGIDGCI-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894424194 619530424 /nfs/dbraw/zinc/53/04/24/619530424.db2.gz WTTNIMPFLPFWPR-JTQLQIEISA-N 0 1 278.302 3.258 20 10 CGCDMN CCC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000927016059 620561581 /nfs/dbraw/zinc/56/15/81/620561581.db2.gz HNSPRHRJSMWCPV-CMPLNLGQSA-N 0 1 271.788 3.247 20 10 CGCDMN C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc2ccccc2c1[O-] ZINC000903407086 621731251 /nfs/dbraw/zinc/73/12/51/621731251.db2.gz MMDVJTVAYHMXMD-YVEFUNNKSA-N 0 1 285.387 3.357 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1[O-] ZINC000228031758 623036520 /nfs/dbraw/zinc/03/65/20/623036520.db2.gz FPYGXRLBWWGRPP-BLLLJJGKSA-N 0 1 291.366 3.498 20 10 CGCDMN COc1cccc(CNCc2ccsc2Cl)c1O ZINC000312768926 623606016 /nfs/dbraw/zinc/60/60/16/623606016.db2.gz VUCPUOPOQTYHRC-UHFFFAOYSA-N 0 1 283.780 3.406 20 10 CGCDMN C[N@@H+](CCOc1ccccc1F)Cc1cc(F)ccc1O ZINC000179891566 624693464 /nfs/dbraw/zinc/69/34/64/624693464.db2.gz HQUKMCMWYWMSSI-UHFFFAOYSA-N 0 1 293.313 3.181 20 10 CGCDMN Cc1noc(C)c1[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC000921741454 625859513 /nfs/dbraw/zinc/85/95/13/625859513.db2.gz HWRAMAFZFJCGST-LLVKDONJSA-N 0 1 286.375 3.467 20 10 CGCDMN CCCN(CCC)c1ccc(CN2CC(C)(CO)C2)cc1 ZINC000839145666 626317124 /nfs/dbraw/zinc/31/71/24/626317124.db2.gz PCTQOLRZCNHMGW-UHFFFAOYSA-N 0 1 290.451 3.127 20 10 CGCDMN [O-]c1c(C[NH+]2CC3(C2)CCOCC3)ccc2ccccc21 ZINC000839141748 626322815 /nfs/dbraw/zinc/32/28/15/626322815.db2.gz YLOHCOALZAZHQZ-UHFFFAOYSA-N 0 1 283.371 3.158 20 10 CGCDMN C[C@H]1CSCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000754155925 626561320 /nfs/dbraw/zinc/56/13/20/626561320.db2.gz LTYAZZDEXXOUTK-SNVBAGLBSA-N 0 1 271.813 3.231 20 10 CGCDMN C[C@H]1CSCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000754155925 626561324 /nfs/dbraw/zinc/56/13/24/626561324.db2.gz LTYAZZDEXXOUTK-SNVBAGLBSA-N 0 1 271.813 3.231 20 10 CGCDMN C[C@H]1COC(C)(C)CN1Cc1c(O)ccc(Cl)c1F ZINC000754155313 626561381 /nfs/dbraw/zinc/56/13/81/626561381.db2.gz FHOZTTHUEZITTI-VIFPVBQESA-N 0 1 287.762 3.184 20 10 CGCDMN CCc1cc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)on1 ZINC000756604032 626719987 /nfs/dbraw/zinc/71/99/87/626719987.db2.gz CPUFTIAWMSXJMU-NOZJJQNGSA-N 0 1 290.338 3.420 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000756611573 626720470 /nfs/dbraw/zinc/72/04/70/626720470.db2.gz WNJLWYACMTZJIE-CZXHOFHRSA-N 0 1 293.382 3.220 20 10 CGCDMN C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000756682498 626726661 /nfs/dbraw/zinc/72/66/61/626726661.db2.gz HHKCBTMFZKLXMN-JTQLQIEISA-N 0 1 298.814 3.001 20 10 CGCDMN C[C@H]([NH2+]CCC1CC(O)C1)c1ccc2ccccc2c1[O-] ZINC000762652173 627119189 /nfs/dbraw/zinc/11/91/89/627119189.db2.gz WIMWEZJJDXQSCC-OPFPJEHXSA-N 0 1 285.387 3.357 20 10 CGCDMN CCc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)on1 ZINC000766135620 627297969 /nfs/dbraw/zinc/29/79/69/627297969.db2.gz MJSMYZKXFJONFO-LBPRGKRZSA-N 0 1 273.380 3.154 20 10 CGCDMN COc1ccccc1CN(C)Cc1c(O)cccc1OC ZINC000768162723 627465225 /nfs/dbraw/zinc/46/52/25/627465225.db2.gz GQYOKEYRCDZODG-UHFFFAOYSA-N 0 1 287.359 3.041 20 10 CGCDMN CC[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768771415 627497919 /nfs/dbraw/zinc/49/79/19/627497919.db2.gz WUDZMVMMMCOQKD-VIFPVBQESA-N 0 1 286.759 3.432 20 10 CGCDMN C[N@@H+](Cc1ccoc1)Cc1cc(Cl)ccc1O ZINC000769003084 627515562 /nfs/dbraw/zinc/51/55/62/627515562.db2.gz AKHODTOGTFHWFM-UHFFFAOYSA-N 0 1 251.713 3.271 20 10 CGCDMN CN(Cc1ccoc1)Cc1cc(Cl)ccc1O ZINC000769003084 627515564 /nfs/dbraw/zinc/51/55/64/627515564.db2.gz AKHODTOGTFHWFM-UHFFFAOYSA-N 0 1 251.713 3.271 20 10 CGCDMN C[N@H+](Cc1ccoc1)Cc1cc(Cl)ccc1[O-] ZINC000769003084 627515568 /nfs/dbraw/zinc/51/55/68/627515568.db2.gz AKHODTOGTFHWFM-UHFFFAOYSA-N 0 1 251.713 3.271 20 10 CGCDMN C[N@@H+](Cc1ccoc1)Cc1cc(Cl)ccc1[O-] ZINC000769003084 627515569 /nfs/dbraw/zinc/51/55/69/627515569.db2.gz AKHODTOGTFHWFM-UHFFFAOYSA-N 0 1 251.713 3.271 20 10 CGCDMN CCN(CC)c1ccc(CN2CCO[C@@H](C)[C@H]2C)cc1 ZINC000769421591 627550884 /nfs/dbraw/zinc/55/08/84/627550884.db2.gz AXXHNBGPTIACPV-CABCVRRESA-N 0 1 276.424 3.142 20 10 CGCDMN Cn1cnc2cc(NCc3ccc4nc[nH]c4c3)ccc21 ZINC000770590147 627629749 /nfs/dbraw/zinc/62/97/49/627629749.db2.gz WFSNKQCUMWACRG-UHFFFAOYSA-N 0 1 277.331 3.062 20 10 CGCDMN CCc1ncc(CN(C)Cc2ccc(N(C)C)cc2)s1 ZINC000771934865 627746443 /nfs/dbraw/zinc/74/64/43/627746443.db2.gz DLMWADORPSERTJ-UHFFFAOYSA-N 0 1 289.448 3.404 20 10 CGCDMN C[C@@H](NCc1cccc(F)n1)c1ccc(N(C)C)cc1 ZINC000773087428 627853692 /nfs/dbraw/zinc/85/36/92/627853692.db2.gz LTWHKFUDSIEFIH-GFCCVEGCSA-N 0 1 273.355 3.138 20 10 CGCDMN CCOc1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775365763 628086323 /nfs/dbraw/zinc/08/63/23/628086323.db2.gz WXHASYAFLBAYIW-AWEZNQCLSA-N 0 1 299.418 3.397 20 10 CGCDMN CC[C@@H]([NH2+]CCCn1ccnc1)c1cc(Cl)ccc1[O-] ZINC000775483189 628098978 /nfs/dbraw/zinc/09/89/78/628098978.db2.gz ORKSYGPWXXOCEH-CQSZACIVSA-N 0 1 293.798 3.373 20 10 CGCDMN CC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@@H](C)O1 ZINC000775662763 628122405 /nfs/dbraw/zinc/12/24/05/628122405.db2.gz WJSGGWYWQLSPNW-BXKDBHETSA-N 0 1 287.762 3.184 20 10 CGCDMN CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000779215527 628394837 /nfs/dbraw/zinc/39/48/37/628394837.db2.gz AOXBPUQPRBCEDU-CYBMUJFWSA-N 0 1 290.190 3.046 20 10 CGCDMN CC1(C)CCC[C@@](O)(C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000782535233 628653304 /nfs/dbraw/zinc/65/33/04/628653304.db2.gz MJYZEWTVADYRKU-INIZCTEOSA-N 0 1 297.826 3.467 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@H](C)[C@@H](C)O1 ZINC000783737081 628743976 /nfs/dbraw/zinc/74/39/76/628743976.db2.gz JMVPHOGLARCYLX-OPRDCNLKSA-N 0 1 287.762 3.182 20 10 CGCDMN CC[C@@H]([NH2+]CCCCCO)c1cc(Cl)ccc1[O-] ZINC000790496718 629213814 /nfs/dbraw/zinc/21/38/14/629213814.db2.gz ZJESNVYSYZNCBL-CYBMUJFWSA-N 0 1 271.788 3.249 20 10 CGCDMN CSCCCN(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862353975 629347400 /nfs/dbraw/zinc/34/74/00/629347400.db2.gz HQMLNAAPAQRBRK-UHFFFAOYSA-N 0 1 288.407 3.216 20 10 CGCDMN Cc1cnc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000793906994 629507278 /nfs/dbraw/zinc/50/72/78/629507278.db2.gz JOSAYMYUQDNLBY-KGLIPLIRSA-N 0 1 284.407 3.263 20 10 CGCDMN CC[C@@H](NCc1cscn1)c1ccc(C)cc1O ZINC000794805742 629580632 /nfs/dbraw/zinc/58/06/32/629580632.db2.gz QTXDGWCMEGMFRH-CYBMUJFWSA-N 0 1 262.378 3.398 20 10 CGCDMN CC[C@H](N[C@@H]1CC[NH2+][C@H]1CC)c1cccc(Cl)c1[O-] ZINC000863543642 629603263 /nfs/dbraw/zinc/60/32/63/629603263.db2.gz UFSCHUGMPDRFAX-MELADBBJSA-N 0 1 282.815 3.227 20 10 CGCDMN C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000863547237 629603403 /nfs/dbraw/zinc/60/34/03/629603403.db2.gz QGNARHZRFOEGDH-RGNHYFCHSA-N 0 1 289.206 3.100 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](CO)CC1CCCC1 ZINC000798503572 630060698 /nfs/dbraw/zinc/06/06/98/630060698.db2.gz KGLRIDGJZJLIQO-CYBMUJFWSA-N 0 1 297.826 3.324 20 10 CGCDMN C[C@H](NCc1cn(C2CC2)cn1)c1ccc(N(C)C)cc1 ZINC000865532240 630172471 /nfs/dbraw/zinc/17/24/71/630172471.db2.gz VQXQMNJIHGKBPD-ZDUSSCGKSA-N 0 1 284.407 3.135 20 10 CGCDMN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000799390734 630177696 /nfs/dbraw/zinc/17/76/96/630177696.db2.gz QUPXDVKFFJDUGO-GFCCVEGCSA-N 0 1 256.349 3.172 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000799390734 630177697 /nfs/dbraw/zinc/17/76/97/630177697.db2.gz QUPXDVKFFJDUGO-GFCCVEGCSA-N 0 1 256.349 3.172 20 10 CGCDMN COc1cccc(CNCc2ccc3c(c2)CCO3)c1F ZINC000800231443 630254355 /nfs/dbraw/zinc/25/43/55/630254355.db2.gz MTXMLBOLLIAWOJ-UHFFFAOYSA-N 0 1 287.334 3.059 20 10 CGCDMN CCN(CC)c1ccc(CN2CC(C)C2)cc1F ZINC000802650925 630402553 /nfs/dbraw/zinc/40/25/53/630402553.db2.gz FFHIPQFVLWSOBG-UHFFFAOYSA-N 0 1 250.361 3.124 20 10 CGCDMN CC1(C)C[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838422 630600297 /nfs/dbraw/zinc/60/02/97/630600297.db2.gz RBFZQEFPPGESEV-VIFPVBQESA-N 0 1 288.174 3.361 20 10 CGCDMN Cc1ccc2c(c1)CN(Cc1cc(F)ccc1O)CCO2 ZINC000809703762 630786896 /nfs/dbraw/zinc/78/68/96/630786896.db2.gz POAXGSUOMVYERR-UHFFFAOYSA-N 0 1 287.334 3.234 20 10 CGCDMN CCC[N@H+](CCCN(C)C)Cc1cccc(Cl)c1[O-] ZINC000809754595 630799977 /nfs/dbraw/zinc/79/99/77/630799977.db2.gz CKAKAGRCSAUGGZ-UHFFFAOYSA-N 0 1 284.831 3.209 20 10 CGCDMN CCC[N@@H+](CCCN(C)C)Cc1cccc(Cl)c1[O-] ZINC000809754595 630799980 /nfs/dbraw/zinc/79/99/80/630799980.db2.gz CKAKAGRCSAUGGZ-UHFFFAOYSA-N 0 1 284.831 3.209 20 10 CGCDMN CCCCN(C)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000810163286 630848806 /nfs/dbraw/zinc/84/88/06/630848806.db2.gz NZEBHDGBUJCESA-GFCCVEGCSA-N 0 1 284.831 3.256 20 10 CGCDMN Cc1nccnc1NCc1cc(Cl)cc(Cl)c1O ZINC000811846530 631126381 /nfs/dbraw/zinc/12/63/81/631126381.db2.gz MEAKIGYADBBDAQ-UHFFFAOYSA-N 0 1 284.146 3.410 20 10 CGCDMN COc1cccc(O)c1CNc1cc2c(cn1)CCCC2 ZINC000812782342 631307878 /nfs/dbraw/zinc/30/78/78/631307878.db2.gz WQQZCLFVRLWXKV-UHFFFAOYSA-N 0 1 284.359 3.287 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178207 631538898 /nfs/dbraw/zinc/53/88/98/631538898.db2.gz HJNLMBRACCJSIW-CYBMUJFWSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178207 631538902 /nfs/dbraw/zinc/53/89/02/631538902.db2.gz HJNLMBRACCJSIW-CYBMUJFWSA-N 0 1 295.810 3.294 20 10 CGCDMN CC[C@H](NCc1nnc(C(C)(C)C)[nH]1)c1ccccc1O ZINC000814629240 631614902 /nfs/dbraw/zinc/61/49/02/631614902.db2.gz KRKFOFKCVCMGKR-LBPRGKRZSA-N 0 1 288.395 3.049 20 10 CGCDMN CC1CCN(CC[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816535649 632005153 /nfs/dbraw/zinc/00/51/53/632005153.db2.gz VUKYADAVGCLONG-UHFFFAOYSA-N 0 1 298.430 3.367 20 10 CGCDMN [O-]c1c(C[NH2+]CCc2cscn2)ccc2ccccc21 ZINC000816553238 632010041 /nfs/dbraw/zinc/01/00/41/632010041.db2.gz OBHKKLORNPNVPU-UHFFFAOYSA-N 0 1 284.384 3.334 20 10 CGCDMN CC(C)[C@@H](CCO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816554127 632010713 /nfs/dbraw/zinc/01/07/13/632010713.db2.gz PJRBIQWOSDFSGP-MRXNPFEDSA-N 0 1 273.376 3.042 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CN1C1CC1 ZINC000816556642 632011560 /nfs/dbraw/zinc/01/15/60/632011560.db2.gz PVTKHVWKRKBFDU-CJNGLKHVSA-N 0 1 296.414 3.260 20 10 CGCDMN CC(C)[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816564700 632013314 /nfs/dbraw/zinc/01/33/14/632013314.db2.gz NDTGDEXZURPTRH-CQSZACIVSA-N 0 1 287.762 3.042 20 10 CGCDMN CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc3ccccc3c2[O-])C1 ZINC000816608094 632023157 /nfs/dbraw/zinc/02/31/57/632023157.db2.gz OXAVLRVVNODCCH-GASCZTMLSA-N 0 1 271.360 3.155 20 10 CGCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2[O-])C1 ZINC000816608094 632023164 /nfs/dbraw/zinc/02/31/64/632023164.db2.gz OXAVLRVVNODCCH-GASCZTMLSA-N 0 1 271.360 3.155 20 10 CGCDMN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1O ZINC000817880837 632229119 /nfs/dbraw/zinc/22/91/19/632229119.db2.gz JREJPLNTUVQXTJ-QWRGUYRKSA-N 0 1 297.782 3.039 20 10 CGCDMN CC[C@H]([NH2+]CC(C)(C)N)c1cc(Cl)cc(Cl)c1[O-] ZINC000817960538 632255902 /nfs/dbraw/zinc/25/59/02/632255902.db2.gz NEJZCUKBKYACQP-NSHDSACASA-N 0 1 291.222 3.477 20 10 CGCDMN C[C@H]([NH2+][C@H]1CC12CC2)c1cc(Br)ccc1[O-] ZINC000818355502 632312675 /nfs/dbraw/zinc/31/26/75/632312675.db2.gz GYSHMIDLUBOQMT-UFBFGSQYSA-N 0 1 282.181 3.358 20 10 CGCDMN CCC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000866414546 633127254 /nfs/dbraw/zinc/12/72/54/633127254.db2.gz IAIVSUUHLAPAGE-JQWIXIFHSA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000866635888 633224122 /nfs/dbraw/zinc/22/41/22/633224122.db2.gz UUJCMEROQNDOHF-HOSYDEDBSA-N 0 1 271.788 3.246 20 10 CGCDMN CC[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)C(F)F ZINC000824509238 633251409 /nfs/dbraw/zinc/25/14/09/633251409.db2.gz JUJHKLPFALZTHR-OAHLLOKOSA-N 0 1 298.377 3.297 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1C ZINC000824815446 633295219 /nfs/dbraw/zinc/29/52/19/633295219.db2.gz PHADIHVQVBZQIB-NOZJJQNGSA-N 0 1 287.762 3.042 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](C)O)cc1Cl ZINC000824829676 633296354 /nfs/dbraw/zinc/29/63/54/633296354.db2.gz KGXODJPYXQMXAU-AAEUAGOBSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1Cl ZINC000824829676 633296362 /nfs/dbraw/zinc/29/63/62/633296362.db2.gz KGXODJPYXQMXAU-AAEUAGOBSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC3(C2)CCOCC3)cc1Cl ZINC000824913854 633305292 /nfs/dbraw/zinc/30/52/92/633305292.db2.gz ZMQVQZVUCDQAKB-UHFFFAOYSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC3(C2)CCOCC3)cc1Cl ZINC000824913854 633305294 /nfs/dbraw/zinc/30/52/94/633305294.db2.gz ZMQVQZVUCDQAKB-UHFFFAOYSA-N 0 1 295.810 3.357 20 10 CGCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H](CO)CC(C)(C)C ZINC000825039981 633320943 /nfs/dbraw/zinc/32/09/43/633320943.db2.gz DZDVFITYBUHIQU-GFCCVEGCSA-N 0 1 285.815 3.275 20 10 CGCDMN CCC1(C[NH2+]Cc2ccc3ccccc3c2[O-])COC1 ZINC000825079602 633326877 /nfs/dbraw/zinc/32/68/77/633326877.db2.gz WMCJWTYIVWIXJM-UHFFFAOYSA-N 0 1 271.360 3.062 20 10 CGCDMN CCCc1ncc(CN[C@H](C)c2cc(OC)ccc2O)o1 ZINC000825085655 633326940 /nfs/dbraw/zinc/32/69/40/633326940.db2.gz LZYJOOODCWZTSI-LLVKDONJSA-N 0 1 290.363 3.192 20 10 CGCDMN Cc1nc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])cs1 ZINC000825096814 633327962 /nfs/dbraw/zinc/32/79/62/633327962.db2.gz JWTUNIDDEGKULE-UHFFFAOYSA-N 0 1 296.823 3.451 20 10 CGCDMN Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825246556 633338592 /nfs/dbraw/zinc/33/85/92/633338592.db2.gz DDBRNFHOPJYNCH-SNVBAGLBSA-N 0 1 293.798 3.247 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1Cl ZINC000825304011 633343093 /nfs/dbraw/zinc/34/30/93/633343093.db2.gz PJCIWKHEFALPEK-KCPJHIHWSA-N 0 1 295.810 3.257 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H](C)Cc2ccncc2)cc1Cl ZINC000825327034 633346333 /nfs/dbraw/zinc/34/63/33/633346333.db2.gz UPQNIAVCLKYZLX-GFCCVEGCSA-N 0 1 290.794 3.470 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1Cl ZINC000825380272 633350538 /nfs/dbraw/zinc/35/05/38/633350538.db2.gz ZRROKCWPSWAINR-CMPLNLGQSA-N 0 1 269.772 3.011 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@H]2CCCOC2)cc1Cl ZINC000825469059 633357017 /nfs/dbraw/zinc/35/70/17/633357017.db2.gz UXULNSRVTDBRIG-NEPJUHHUSA-N 0 1 283.799 3.259 20 10 CGCDMN CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825501490 633358847 /nfs/dbraw/zinc/35/88/47/633358847.db2.gz QBKYUAZNNPRZKH-WDEREUQCSA-N 0 1 299.798 3.031 20 10 CGCDMN CC[C@H]1CC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825992163 633394738 /nfs/dbraw/zinc/39/47/38/633394738.db2.gz SMJZMBZOJJYEMR-NSHDSACASA-N 0 1 270.170 3.139 20 10 CGCDMN CC[C@H]1CC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825992163 633394741 /nfs/dbraw/zinc/39/47/41/633394741.db2.gz SMJZMBZOJJYEMR-NSHDSACASA-N 0 1 270.170 3.139 20 10 CGCDMN CC[C@H]1CCN1Cc1ccc(Br)cc1O ZINC000825992163 633394747 /nfs/dbraw/zinc/39/47/47/633394747.db2.gz SMJZMBZOJJYEMR-NSHDSACASA-N 0 1 270.170 3.139 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)cc1Cl ZINC000825731034 633377985 /nfs/dbraw/zinc/37/79/85/633377985.db2.gz CIZDJWWHHKTRLA-GXTWGEPZSA-N 0 1 297.826 3.479 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)cc1Cl ZINC000825731034 633377988 /nfs/dbraw/zinc/37/79/88/633377988.db2.gz CIZDJWWHHKTRLA-GXTWGEPZSA-N 0 1 297.826 3.479 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1Cl ZINC000825824931 633382778 /nfs/dbraw/zinc/38/27/78/633382778.db2.gz PYHLFQVBIVNYJG-GOEBONIOSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1Cl ZINC000825824931 633382780 /nfs/dbraw/zinc/38/27/80/633382780.db2.gz PYHLFQVBIVNYJG-GOEBONIOSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1Cl ZINC000825824931 633382781 /nfs/dbraw/zinc/38/27/81/633382781.db2.gz PYHLFQVBIVNYJG-GOEBONIOSA-N 0 1 295.810 3.497 20 10 CGCDMN COC1(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CCCC1 ZINC000826023990 633397743 /nfs/dbraw/zinc/39/77/43/633397743.db2.gz NNCNIZQMYBTWOW-UHFFFAOYSA-N 0 1 283.799 3.403 20 10 CGCDMN CCC[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])OC ZINC000826030043 633399029 /nfs/dbraw/zinc/39/90/29/633399029.db2.gz NLMRQNZSUTVZDC-GFCCVEGCSA-N 0 1 271.788 3.259 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@@H]1C ZINC000826063019 633401643 /nfs/dbraw/zinc/40/16/43/633401643.db2.gz ZTPJZCJQADSTEV-XHDPSFHLSA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@@H]1C ZINC000826063019 633401649 /nfs/dbraw/zinc/40/16/49/633401649.db2.gz ZTPJZCJQADSTEV-XHDPSFHLSA-N 0 1 283.799 3.211 20 10 CGCDMN C[C@@]1(C2CC2)CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000826878041 633440015 /nfs/dbraw/zinc/44/00/15/633440015.db2.gz QXNZREDRMYLJGY-HNNXBMFYSA-N 0 1 299.773 3.186 20 10 CGCDMN C[C@@]1(C2CC2)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000826878041 633440018 /nfs/dbraw/zinc/44/00/18/633440018.db2.gz QXNZREDRMYLJGY-HNNXBMFYSA-N 0 1 299.773 3.186 20 10 CGCDMN C[C@@]1(C2CC2)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000826878041 633440021 /nfs/dbraw/zinc/44/00/21/633440021.db2.gz QXNZREDRMYLJGY-HNNXBMFYSA-N 0 1 299.773 3.186 20 10 CGCDMN CCOc1ccc(O)c(CN2CCc3sccc3C2)c1 ZINC000124295076 634218086 /nfs/dbraw/zinc/21/80/86/634218086.db2.gz YPWIZVCSOHJJHF-UHFFFAOYSA-N 0 1 289.400 3.411 20 10 CGCDMN C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccc(N(C)C)cc1 ZINC000834769408 634239014 /nfs/dbraw/zinc/23/90/14/634239014.db2.gz MSYSNWLLABRYEX-WWGRRREGSA-N 0 1 284.407 3.306 20 10 CGCDMN C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1cc(F)ccc1O ZINC000834893852 634270821 /nfs/dbraw/zinc/27/08/21/634270821.db2.gz HITZZAKFQWABOG-OUJBWJOFSA-N 0 1 275.327 3.084 20 10 CGCDMN C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1cc(F)ccc1O ZINC000834893851 634271044 /nfs/dbraw/zinc/27/10/44/634271044.db2.gz 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/nfs/dbraw/zinc/08/16/26/635081626.db2.gz YVDZLYKLSRNASV-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN CSC[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877547776 635082925 /nfs/dbraw/zinc/08/29/25/635082925.db2.gz JTQMJXSCTVBEDB-JTQLQIEISA-N 0 1 287.375 3.245 20 10 CGCDMN COC1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CCC1 ZINC000840937184 635085452 /nfs/dbraw/zinc/08/54/52/635085452.db2.gz PJRDJNBVGPUKCM-UHFFFAOYSA-N 0 1 269.772 3.013 20 10 CGCDMN CO[C@@](C)([C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000840960998 635094175 /nfs/dbraw/zinc/09/41/75/635094175.db2.gz PHEOOOBOQZIEOU-BONVTDFDSA-N 0 1 283.799 3.339 20 10 CGCDMN COc1ccc(CN2Cc3cccc(O)c3C2)c(C)c1OC ZINC000877703193 635155106 /nfs/dbraw/zinc/15/51/06/635155106.db2.gz VOQZMLHGMAUSAD-UHFFFAOYSA-N 0 1 299.370 3.234 20 10 CGCDMN CN(C)c1ccc(/C=C/CN2Cc3cccc(O)c3C2)cc1 ZINC000877703286 635155584 /nfs/dbraw/zinc/15/55/84/635155584.db2.gz ZZJHRQQVMANSTK-SNAWJCMRSA-N 0 1 294.398 3.487 20 10 CGCDMN CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] 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ZINC000846051592 636138912 /nfs/dbraw/zinc/13/89/12/636138912.db2.gz GWADSCNRHOOMIE-SNVBAGLBSA-N 0 1 287.762 3.186 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCC2(C)C)c1[O-] ZINC000846959448 636294277 /nfs/dbraw/zinc/29/42/77/636294277.db2.gz IPVGGZLXXQDFGQ-CYBMUJFWSA-N 0 1 265.328 3.012 20 10 CGCDMN COCC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000848561495 636606594 /nfs/dbraw/zinc/60/65/94/636606594.db2.gz XIVUFYMIWQIBOI-JTQLQIEISA-N 0 1 269.772 3.123 20 10 CGCDMN CCCc1nc(C)c(CNCc2cccc(CC)c2O)o1 ZINC000848913077 636687713 /nfs/dbraw/zinc/68/77/13/636687713.db2.gz NSFOCKJLELTFMS-UHFFFAOYSA-N 0 1 288.391 3.493 20 10 CGCDMN COc1ccc(N2CCN([C@H]3C=CCCC3)CC2)cc1F ZINC000084866461 636768074 /nfs/dbraw/zinc/76/80/74/636768074.db2.gz XAMGYIBZXJZWPA-AWEZNQCLSA-N 0 1 290.382 3.065 20 10 CGCDMN CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1O ZINC000133721687 636971939 /nfs/dbraw/zinc/97/19/39/636971939.db2.gz SFMRASGONVPLPZ-STQMWFEESA-N 0 1 263.381 3.411 20 10 CGCDMN Oc1c(Cl)cc(Cl)cc1CNc1nncs1 ZINC000134422430 637022182 /nfs/dbraw/zinc/02/21/82/637022182.db2.gz KPCPRKPINNFAKB-UHFFFAOYSA-N 0 1 276.148 3.163 20 10 CGCDMN Cc1cc(O)c(CN[C@H](C)c2cscn2)cc1C ZINC000850359916 637027947 /nfs/dbraw/zinc/02/79/47/637027947.db2.gz WCQBTIMJVMTLGF-LLVKDONJSA-N 0 1 262.378 3.316 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000850543937 637115907 /nfs/dbraw/zinc/11/59/07/637115907.db2.gz BAUUFTCKQNLIPW-DOMZBBRYSA-N 0 1 297.826 3.495 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)N[C@@H](C)c2nccn2C)c1O ZINC000850573201 637130002 /nfs/dbraw/zinc/13/00/02/637130002.db2.gz WLXHDGGHXJZQSC-QWRGUYRKSA-N 0 1 293.798 3.499 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CC[C@H](OC)C1 ZINC000851792981 637504955 /nfs/dbraw/zinc/50/49/55/637504955.db2.gz VUIGTHLCOAMFET-CABCVRRESA-N 0 1 263.381 3.172 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CC[C@H](OC)C1 ZINC000851792981 637504958 /nfs/dbraw/zinc/50/49/58/637504958.db2.gz VUIGTHLCOAMFET-CABCVRRESA-N 0 1 263.381 3.172 20 10 CGCDMN Oc1cccc2c1[C@H](NCc1cc(C3CC3)no1)CC2 ZINC000886685014 637650164 /nfs/dbraw/zinc/65/01/64/637650164.db2.gz YLHBSEAJIWZVIG-CYBMUJFWSA-N 0 1 270.332 3.035 20 10 CGCDMN CCN(CC)c1ccc(CN[C@H](C)c2cn(C)cn2)cc1 ZINC000924711968 638393767 /nfs/dbraw/zinc/39/37/67/638393767.db2.gz ZGQZPPCHHQVEAL-CQSZACIVSA-N 0 1 286.423 3.117 20 10 CGCDMN Cc1ccc(O)c([C@H](C)NCc2cc(C3CC3)n(C)n2)c1 ZINC000927108021 638843136 /nfs/dbraw/zinc/84/31/36/638843136.db2.gz JTSBSQMCEXFZCD-LBPRGKRZSA-N 0 1 285.391 3.162 20 10 CGCDMN CCOc1cccc(C[N@H+]2CCCC[C@@H](C)C2)c1O ZINC000187514609 639695253 /nfs/dbraw/zinc/69/52/53/639695253.db2.gz VHHCOGSSPBWNEO-CYBMUJFWSA-N 0 1 263.381 3.413 20 10 CGCDMN COc1ccc(CN[C@H](C)c2cncs2)cc1C ZINC000155399298 639934289 /nfs/dbraw/zinc/93/42/89/639934289.db2.gz ILYPBGKOYSRXKR-LLVKDONJSA-N 0 1 262.378 3.311 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000083551688 640597089 /nfs/dbraw/zinc/59/70/89/640597089.db2.gz ZSXFKCNYUIJRRC-LBPRGKRZSA-N 0 1 289.762 3.139 20 10 CGCDMN Oc1cc(O)c(-c2nc3cc(F)cc(Cl)c3[nH]2)cc1O ZINC001251355575 805886389 /nfs/dbraw/zinc/88/63/89/805886389.db2.gz URDMUTLPSNHNKN-UHFFFAOYSA-N 0 1 294.669 3.139 20 10 CGCDMN C[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])N1CCCCC1 ZINC000038028583 798884455 /nfs/dbraw/zinc/88/44/55/798884455.db2.gz VESHOOSABPUKJD-GFCCVEGCSA-N 0 1 282.815 3.010 20 10 CGCDMN COc1ccc(O)c(CN2CCc3sccc3C2)c1 ZINC000138549479 799039652 /nfs/dbraw/zinc/03/96/52/799039652.db2.gz NWVVVCUDMGQYTL-UHFFFAOYSA-N 0 1 275.373 3.021 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2nc3ccccc3[nH]2)c1 ZINC000315243765 799235362 /nfs/dbraw/zinc/23/53/62/799235362.db2.gz USPFSXIJZXWGKK-LLVKDONJSA-N 0 1 297.358 3.128 20 10 CGCDMN CSC1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000380041283 799357224 /nfs/dbraw/zinc/35/72/24/799357224.db2.gz NHFCCGIMSLODFM-UHFFFAOYSA-N 0 1 297.395 3.061 20 10 CGCDMN CSC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000380041283 799357230 /nfs/dbraw/zinc/35/72/30/799357230.db2.gz NHFCCGIMSLODFM-UHFFFAOYSA-N 0 1 297.395 3.061 20 10 CGCDMN Oc1cccc(Cl)c1C[N@H+]1CC2CCC1CC2 ZINC000383910801 799410116 /nfs/dbraw/zinc/41/01/16/799410116.db2.gz PDUYHUWIGYSFJA-UHFFFAOYSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC2CCC1CC2 ZINC000383910801 799410121 /nfs/dbraw/zinc/41/01/21/799410121.db2.gz PDUYHUWIGYSFJA-UHFFFAOYSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC2CCC1CC2 ZINC000383910801 799410126 /nfs/dbraw/zinc/41/01/26/799410126.db2.gz PDUYHUWIGYSFJA-UHFFFAOYSA-N 0 1 251.757 3.420 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@@H](C)O ZINC000386713552 799439140 /nfs/dbraw/zinc/43/91/40/799439140.db2.gz QCCUKVLTPMUJDV-OZVIIMIRSA-N 0 1 273.376 3.355 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CC12CCCC2 ZINC000386864355 799441137 /nfs/dbraw/zinc/44/11/37/799441137.db2.gz CNGFBHRZJUTEHA-CYBMUJFWSA-N 0 1 251.757 3.468 20 10 CGCDMN COc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)sn1 ZINC000399173339 799536035 /nfs/dbraw/zinc/53/60/35/799536035.db2.gz METRUEGPIZYUTM-LLVKDONJSA-N 0 1 291.420 3.069 20 10 CGCDMN C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CS1 ZINC000689641166 799767466 /nfs/dbraw/zinc/76/74/66/799767466.db2.gz JXJSWQIOGCYXLA-JOYOIKCWSA-N 0 1 271.813 3.419 20 10 CGCDMN CCc1cnc(CNCc2cccc(CC)c2O)s1 ZINC000691448185 799783605 /nfs/dbraw/zinc/78/36/05/799783605.db2.gz QTYRFZGFDFYACN-UHFFFAOYSA-N 0 1 276.405 3.263 20 10 CGCDMN C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1cscn1 ZINC000697819219 799850339 /nfs/dbraw/zinc/85/03/39/799850339.db2.gz JWJCAADJHZWCDQ-MWLCHTKSSA-N 0 1 260.362 3.187 20 10 CGCDMN C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701044233 799884306 /nfs/dbraw/zinc/88/43/06/799884306.db2.gz PEGAOQBSYIFQHI-SKDRFNHKSA-N 0 1 284.197 3.433 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H]1CC1(F)F ZINC000701942631 799899118 /nfs/dbraw/zinc/89/91/18/799899118.db2.gz BWBPXVACMDTKAX-VIFPVBQESA-N 0 1 261.699 3.181 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000701942629 799899974 /nfs/dbraw/zinc/89/99/74/799899974.db2.gz BWBPXVACMDTKAX-SECBINFHSA-N 0 1 261.699 3.181 20 10 CGCDMN CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C1 ZINC001119236983 802636627 /nfs/dbraw/zinc/63/66/27/802636627.db2.gz KYFCFVVGONNZCB-MNOVXSKESA-N 0 1 287.375 3.386 20 10 CGCDMN Cc1nnsc1[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001119743555 802697021 /nfs/dbraw/zinc/69/70/21/802697021.db2.gz LSLMCFJOVNBWTI-QWRGUYRKSA-N 0 1 290.436 3.324 20 10 CGCDMN COc1ccc(C[N@@H+](C)Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139680774 804250125 /nfs/dbraw/zinc/25/01/25/804250125.db2.gz BOVMCCDXQBMKLT-UHFFFAOYSA-N 0 1 293.313 3.311 20 10 CGCDMN O=C1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])[C@@H]2CCCC[C@@H]12 ZINC001139685877 804251315 /nfs/dbraw/zinc/25/13/15/804251315.db2.gz ZSNANDXDZXSPFU-QMTHXVAHSA-N 0 1 295.329 3.004 20 10 CGCDMN O=C1CC[N@H+](Cc2c(F)ccc(F)c2[O-])[C@@H]2CCCC[C@@H]12 ZINC001139685877 804251323 /nfs/dbraw/zinc/25/13/23/804251323.db2.gz ZSNANDXDZXSPFU-QMTHXVAHSA-N 0 1 295.329 3.004 20 10 CGCDMN C[N@H+](Cc1cccc(O)c1)Cc1c([O-])c(F)ccc1F ZINC001139685616 804252320 /nfs/dbraw/zinc/25/23/20/804252320.db2.gz 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CC[C@@H](C)c1nn(C)cc1C[N@@H+](C)Cc1ccccc1O ZINC001249408424 805142410 /nfs/dbraw/zinc/14/24/10/805142410.db2.gz DHTHFRAKUUILMF-CYBMUJFWSA-N 0 1 287.407 3.271 20 10 CGCDMN CC[C@@H](C)c1nn(C)cc1CN(C)Cc1ccccc1O ZINC001249408424 805142412 /nfs/dbraw/zinc/14/24/12/805142412.db2.gz DHTHFRAKUUILMF-CYBMUJFWSA-N 0 1 287.407 3.271 20 10 CGCDMN COc1ccc2c(c1)c1c(n2C)CCN(C2CCCC2)C1 ZINC001257353646 807118443 /nfs/dbraw/zinc/11/84/43/807118443.db2.gz MIETWTCQUGDXMZ-UHFFFAOYSA-N 0 1 284.403 3.488 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])CCO1 ZINC001168090653 807308824 /nfs/dbraw/zinc/30/88/24/807308824.db2.gz GESNXQJJYXGPCK-LRDDRELGSA-N 0 1 271.360 3.203 20 10 CGCDMN CCC[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001182142236 810095616 /nfs/dbraw/zinc/09/56/16/810095616.db2.gz YDSXYFXTSAOPKQ-OAHLLOKOSA-N 0 1 283.799 3.030 20 10 CGCDMN CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001182142236 810095619 /nfs/dbraw/zinc/09/56/19/810095619.db2.gz YDSXYFXTSAOPKQ-OAHLLOKOSA-N 0 1 283.799 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C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCC[C@H]1O ZINC001231588845 818130230 /nfs/dbraw/zinc/13/02/30/818130230.db2.gz WFCUSXXWIRMXEQ-CXAGYDPISA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCC[C@H]1O ZINC001231588845 818130232 /nfs/dbraw/zinc/13/02/32/818130232.db2.gz WFCUSXXWIRMXEQ-CXAGYDPISA-N 0 1 285.387 3.138 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)cc1Cl ZINC001231871980 818193784 /nfs/dbraw/zinc/19/37/84/818193784.db2.gz TWZUEPIIZGQQTI-WCQYABFASA-N 0 1 293.794 3.155 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)cc1Cl ZINC001231871980 818193789 /nfs/dbraw/zinc/19/37/89/818193789.db2.gz TWZUEPIIZGQQTI-WCQYABFASA-N 0 1 293.794 3.155 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](OC(C)C)C2)cc1Cl ZINC001231870139 818194866 /nfs/dbraw/zinc/19/48/66/818194866.db2.gz LKQIPKPLTJDWDD-ZDUSSCGKSA-N 0 1 283.799 3.353 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](OC(C)C)C2)cc1Cl ZINC001231870139 818194867 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/nfs/dbraw/zinc/51/65/36/818516536.db2.gz JWPGQAQRGZBPNO-UHFFFAOYSA-N 0 1 255.308 3.292 20 10 CGCDMN COCOc1cccc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC001233282469 818566553 /nfs/dbraw/zinc/56/65/53/818566553.db2.gz SAPIYIXOGJZJGA-UHFFFAOYSA-N 0 1 287.359 3.007 20 10 CGCDMN CC(C)(C)c1ccc(O)c(CN2CCC(=O)C(C)(C)C2)c1 ZINC001233286307 818568069 /nfs/dbraw/zinc/56/80/69/818568069.db2.gz NZFLYJMGCPYREF-UHFFFAOYSA-N 0 1 289.419 3.491 20 10 CGCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001233334308 818583862 /nfs/dbraw/zinc/58/38/62/818583862.db2.gz BKJYFMIHWDBDHC-SSDOTTSWSA-N 0 1 281.224 3.055 20 10 CGCDMN C[C@@H]1CCCC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233332629 818584467 /nfs/dbraw/zinc/58/44/67/818584467.db2.gz RPYGOXCGAWSRAW-SNVBAGLBSA-N 0 1 255.308 3.292 20 10 CGCDMN C[C@H]1CCCC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233332628 818584568 /nfs/dbraw/zinc/58/45/68/818584568.db2.gz RPYGOXCGAWSRAW-JTQLQIEISA-N 0 1 255.308 3.292 20 10 CGCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001233334543 818585915 /nfs/dbraw/zinc/58/59/15/818585915.db2.gz LGLTWXQYRVHOFN-GFCCVEGCSA-N 0 1 290.313 3.055 20 10 CGCDMN CC[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])C1CC1 ZINC001233415989 818615333 /nfs/dbraw/zinc/61/53/33/818615333.db2.gz RMMNFBYFSZDATR-UHFFFAOYSA-N 0 1 259.271 3.395 20 10 CGCDMN C[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2O)C[C@@H]1F ZINC001233726806 818691941 /nfs/dbraw/zinc/69/19/41/818691941.db2.gz IFMWLISVFTWZQS-SCZZXKLOSA-N 0 1 293.260 3.081 20 10 CGCDMN C[C@H]1[C@@H]([NH3+])CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236416755 819462280 /nfs/dbraw/zinc/46/22/80/819462280.db2.gz CKGSRRIZAYOKRV-UFBFGSQYSA-N 0 1 289.206 3.011 20 10 CGCDMN C[C@H]1[C@H]([NH3+])CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236416753 819462377 /nfs/dbraw/zinc/46/23/77/819462377.db2.gz CKGSRRIZAYOKRV-QPUJVOFHSA-N 0 1 289.206 3.011 20 10 CGCDMN COc1cc([O-])c(C[N@H+](C)C2CCCC2)c(Cl)c1 ZINC001236799462 819600259 /nfs/dbraw/zinc/60/02/59/819600259.db2.gz OGBOTNBTNSXUEH-UHFFFAOYSA-N 0 1 269.772 3.429 20 10 CGCDMN COc1cc([O-])c(C[N@@H+](C)C2CCCC2)c(Cl)c1 ZINC001236799462 819600263 /nfs/dbraw/zinc/60/02/63/819600263.db2.gz OGBOTNBTNSXUEH-UHFFFAOYSA-N 0 1 269.772 3.429 20 10 CGCDMN CCO[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236806854 819602106 /nfs/dbraw/zinc/60/21/06/819602106.db2.gz ATMDIKOQBLBBCS-GFCCVEGCSA-N 0 1 299.798 3.055 20 10 CGCDMN CC[C@@H]1CC[N@H+](Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236805774 819602346 /nfs/dbraw/zinc/60/23/46/819602346.db2.gz IXNXGJSWABFCIF-SNVBAGLBSA-N 0 1 269.772 3.286 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236805774 819602350 /nfs/dbraw/zinc/60/23/50/819602350.db2.gz IXNXGJSWABFCIF-SNVBAGLBSA-N 0 1 269.772 3.286 20 10 CGCDMN CCOc1ccc(C[N@H+](C)C(CC)CC)c([O-])c1 ZINC001237044666 819650546 /nfs/dbraw/zinc/65/05/46/819650546.db2.gz RQKKXTNUVAFHRW-UHFFFAOYSA-N 0 1 251.370 3.411 20 10 CGCDMN CCOc1ccc(C[N@@H+](C)C(CC)CC)c([O-])c1 ZINC001237044666 819650551 /nfs/dbraw/zinc/65/05/51/819650551.db2.gz RQKKXTNUVAFHRW-UHFFFAOYSA-N 0 1 251.370 3.411 20 10 CGCDMN CC[N@@H+](Cc1c([O-])ccc(Cl)c1Cl)CC(C)(C)O ZINC001237084838 819663634 /nfs/dbraw/zinc/66/36/34/819663634.db2.gz OIYAJMDDCNZMKT-UHFFFAOYSA-N 0 1 292.206 3.292 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001237124213 819673118 /nfs/dbraw/zinc/67/31/18/819673118.db2.gz NCCKTDIFQFCZAK-OAHLLOKOSA-N 0 1 299.773 3.330 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001237124213 819673120 /nfs/dbraw/zinc/67/31/20/819673120.db2.gz NCCKTDIFQFCZAK-OAHLLOKOSA-N 0 1 299.773 3.330 20 10 CGCDMN COCC1CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237122823 819674072 /nfs/dbraw/zinc/67/40/72/819674072.db2.gz ZDHBKCJBEMNBOH-UHFFFAOYSA-N 0 1 287.762 3.043 20 10 CGCDMN Cc1cccc(O)c1CN1CC(OCc2ccccc2)C1 ZINC001237488981 819762843 /nfs/dbraw/zinc/76/28/43/819762843.db2.gz BBIIZHXMJSFNBU-UHFFFAOYSA-N 0 1 283.371 3.102 20 10 CGCDMN C[C@H]1C[C@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])CC[C@H]2O1 ZINC001237619233 819789003 /nfs/dbraw/zinc/78/90/03/819789003.db2.gz PHGOLWIJJCZGGO-PKFCDNJMSA-N 0 1 299.773 3.184 20 10 CGCDMN Cc1cc2c(cn1)CN(Cc1cc(F)cc(Cl)c1O)C2 ZINC001237800634 819845801 /nfs/dbraw/zinc/84/58/01/819845801.db2.gz AHLMDXWAGOLDMN-UHFFFAOYSA-N 0 1 292.741 3.404 20 10 CGCDMN Cc1nc2c(s1)C[N@@H+](Cc1cc(F)cc(C)c1O)CC2 ZINC001238061335 819921069 /nfs/dbraw/zinc/92/10/69/819921069.db2.gz GTESFDCVTKYWNI-UHFFFAOYSA-N 0 1 292.379 3.163 20 10 CGCDMN Cc1nc2c(s1)CN(Cc1cc(F)cc(C)c1O)CC2 ZINC001238061335 819921072 /nfs/dbraw/zinc/92/10/72/819921072.db2.gz GTESFDCVTKYWNI-UHFFFAOYSA-N 0 1 292.379 3.163 20 10 CGCDMN CCOC(=O)c1cc2c(cc(C)nc2-c2cccnc2)n1C ZINC001239567891 820418737 /nfs/dbraw/zinc/41/87/37/820418737.db2.gz DTGXPMKBYAMPPU-UHFFFAOYSA-N 0 1 295.342 3.120 20 10 CGCDMN C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1c([O-])cccc1Cl ZINC001339017444 936344438 /nfs/dbraw/zinc/34/44/38/936344438.db2.gz MIDVYOIBOKTDTQ-SNVBAGLBSA-N 0 1 299.798 3.256 20 10 CGCDMN CC(C)OC1(C[NH2+]Cc2ccc(Cl)cc2[O-])CCC1 ZINC001462562227 937650832 /nfs/dbraw/zinc/65/08/32/937650832.db2.gz MQIFIHLXJIICCU-UHFFFAOYSA-N 0 1 283.799 3.483 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCCO1 ZINC001308713495 933163346 /nfs/dbraw/zinc/16/33/46/933163346.db2.gz KASXUXRDEVGHIK-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])CCCO1 ZINC001308713495 933163348 /nfs/dbraw/zinc/16/33/48/933163348.db2.gz KASXUXRDEVGHIK-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])CCCO1 ZINC001308713495 933163350 /nfs/dbraw/zinc/16/33/50/933163350.db2.gz KASXUXRDEVGHIK-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[C@H](CSC)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001308747988 933170055 /nfs/dbraw/zinc/17/00/55/933170055.db2.gz QEMXDLRVZQNCHK-SNVBAGLBSA-N 0 1 275.364 3.244 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]CCC1(F)CCC1 ZINC001308801994 933178799 /nfs/dbraw/zinc/17/87/99/933178799.db2.gz RORNMQWJSJIIQV-UHFFFAOYSA-N 0 1 257.736 3.418 20 10 CGCDMN C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC(C)(C)O1 ZINC001319706064 933919600 /nfs/dbraw/zinc/91/96/00/933919600.db2.gz TWXWBAICIHAVGN-HNNXBMFYSA-N 0 1 288.435 3.286 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001474572616 937867982 /nfs/dbraw/zinc/86/79/82/937867982.db2.gz WKWQILROASRALW-VHSXEESVSA-N 0 1 291.700 3.272 20 10 CGCDMN CC[N@@H+](CCSC)Cc1ccc(Cl)cc1O ZINC001474614829 937870924 /nfs/dbraw/zinc/87/09/24/937870924.db2.gz DHFTXSDSEDEZSV-UHFFFAOYSA-N 0 1 259.802 3.231 20 10 CGCDMN CC[N@H+](CCSC)Cc1ccc(Cl)cc1[O-] ZINC001474614829 937870926 /nfs/dbraw/zinc/87/09/26/937870926.db2.gz DHFTXSDSEDEZSV-UHFFFAOYSA-N 0 1 259.802 3.231 20 10 CGCDMN CC[N@@H+](CCSC)Cc1ccc(Cl)cc1[O-] ZINC001474614829 937870928 /nfs/dbraw/zinc/87/09/28/937870928.db2.gz DHFTXSDSEDEZSV-UHFFFAOYSA-N 0 1 259.802 3.231 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001474694439 937875860 /nfs/dbraw/zinc/87/58/60/937875860.db2.gz DBURRCFHHGHYNT-VZJVUDMVSA-N 0 1 281.783 3.093 20 10 CGCDMN c1nc(C2CC2)sc1CNCc1ccc2c(c1)CCO2 ZINC001560302945 938251963 /nfs/dbraw/zinc/25/19/63/938251963.db2.gz QMPIVGCWSKXUQJ-UHFFFAOYSA-N 0 1 286.400 3.245 20 10 CGCDMN CCN1CCCC[C@H]1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC001560329951 938253512 /nfs/dbraw/zinc/25/35/12/938253512.db2.gz YTXXQVIPWBVPTC-ZDUSSCGKSA-N 0 1 296.842 3.318 20 10 CGCDMN CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C[C@H]1O ZINC001560720158 938272155 /nfs/dbraw/zinc/27/21/55/938272155.db2.gz LLXHEMNKFJLHHC-DZGCQCFKSA-N 0 1 297.826 3.275 20 10 CGCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@H]1O ZINC001560720158 938272157 /nfs/dbraw/zinc/27/21/57/938272157.db2.gz LLXHEMNKFJLHHC-DZGCQCFKSA-N 0 1 297.826 3.275 20 10 CGCDMN CC[C@]1(C)CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001560761177 938274226 /nfs/dbraw/zinc/27/42/26/938274226.db2.gz BJFBHGFWXQORJW-HPFMTEOYSA-N 0 1 288.435 3.267 20 10 CGCDMN CC[C@]1(C)CN(C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC001560761178 938274395 /nfs/dbraw/zinc/27/43/95/938274395.db2.gz BJFBHGFWXQORJW-IPLHWJFFSA-N 0 1 288.435 3.267 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001561050635 938291852 /nfs/dbraw/zinc/29/18/52/938291852.db2.gz CAOGZZYMWVNIKD-OAHLLOKOSA-N 0 1 295.810 3.485 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC001603107170 972183840 /nfs/dbraw/zinc/18/38/40/972183840.db2.gz WIVJLKGJCRPMAU-DOMZBBRYSA-N 0 1 291.391 3.058 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001603107171 972183878 /nfs/dbraw/zinc/18/38/78/972183878.db2.gz WIVJLKGJCRPMAU-IUODEOHRSA-N 0 1 291.391 3.058 20 10 CGCDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001573698897 962280045 /nfs/dbraw/zinc/28/00/45/962280045.db2.gz QAVZCDJTFNWAPJ-WFASDCNBSA-N 0 1 299.370 3.088 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1 ZINC001588968494 963338949 /nfs/dbraw/zinc/33/89/49/963338949.db2.gz JSJPUXJWBJESTR-UHFFFAOYSA-N 0 1 293.407 3.448 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC001595891614 982927436 /nfs/dbraw/zinc/92/74/36/982927436.db2.gz WJUQXVCCMIGEER-SWLSCSKDSA-N 0 1 279.380 3.104 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+]CCC(F)(F)F ZINC000691463196 799784131 /nfs/dbraw/zinc/78/41/31/799784131.db2.gz BSSISRGSEKGVCK-UHFFFAOYSA-N 0 1 298.102 3.197 20 10 CGCDMN CCOCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000036229019 369013782 /nfs/dbraw/zinc/01/37/82/369013782.db2.gz TWTZGANKMAVTTF-LBPRGKRZSA-N 0 1 259.349 3.233 20 10 CGCDMN CCC[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168772220 372619209 /nfs/dbraw/zinc/61/92/09/372619209.db2.gz NBGZXKNWTOSGAF-TZMCWYRMSA-N 0 1 273.376 3.357 20 10 CGCDMN CC1(C)C[C@H](O)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000295143976 372695787 /nfs/dbraw/zinc/69/57/87/372695787.db2.gz BZUWKLUEDQFSMO-GFCCVEGCSA-N 0 1 283.799 3.029 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+](CCO)C1CCCCC1 ZINC000183375822 374408453 /nfs/dbraw/zinc/40/84/53/374408453.db2.gz NQANGRFGYCMHFJ-UHFFFAOYSA-N 0 1 283.799 3.173 20 10 CGCDMN C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000184854966 374565256 /nfs/dbraw/zinc/56/52/56/374565256.db2.gz OPOGNFCHJOVNBU-ZBEGNZNMSA-N 0 1 291.778 3.430 20 10 CGCDMN Cc1nccnc1[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000187761542 375089767 /nfs/dbraw/zinc/08/97/67/375089767.db2.gz VIRZEYZUTZDTJI-HNNXBMFYSA-N 0 1 296.418 3.236 20 10 CGCDMN CCn1cc(N[C@@H](C)c2ccc(F)c(F)c2O)cn1 ZINC000187874603 375109110 /nfs/dbraw/zinc/10/91/10/375109110.db2.gz XBBUZOSHKFSBJZ-QMMMGPOBSA-N 0 1 267.279 3.060 20 10 CGCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCCC[C@@H]1O ZINC000272646291 378682668 /nfs/dbraw/zinc/68/26/68/378682668.db2.gz PDOMDGDRHJLDLG-RISCZKNCSA-N 0 1 283.799 3.029 20 10 CGCDMN CCn1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000273451857 378747763 /nfs/dbraw/zinc/74/77/63/378747763.db2.gz GGGHNVICCKAJLL-JTQLQIEISA-N 0 1 279.771 3.113 20 10 CGCDMN Cc1nnc([C@@H](C)N[C@H](C)c2ccc(C)cc2O)s1 ZINC000274122027 378780177 /nfs/dbraw/zinc/78/01/77/378780177.db2.gz AUEXTJBDHWPSKA-NXEZZACHSA-N 0 1 277.393 3.272 20 10 CGCDMN COc1ccc(O)c(CNCc2cc(C)cc(Cl)n2)c1 ZINC000282620796 379957533 /nfs/dbraw/zinc/95/75/33/379957533.db2.gz XVUXPRONLRCHFV-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186512058 262096244 /nfs/dbraw/zinc/09/62/44/262096244.db2.gz OUOXLDQVJZESJJ-BMPPAVAUSA-N 0 1 269.772 3.023 20 10 CGCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cncc(F)c1 ZINC000122467315 392422595 /nfs/dbraw/zinc/42/25/95/392422595.db2.gz YIMFIHFLAWDSQS-LLVKDONJSA-N 0 1 291.345 3.277 20 10 CGCDMN Cc1csc(CNCc2cc(Cl)ccc2O)n1 ZINC000038090676 174104110 /nfs/dbraw/zinc/10/41/10/174104110.db2.gz KBMGMDMBQKADOZ-UHFFFAOYSA-N 0 1 268.769 3.100 20 10 CGCDMN CCC(O)(CC)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185231334 262047347 /nfs/dbraw/zinc/04/73/47/262047347.db2.gz MIVPKHORZUXEON-JTQLQIEISA-N 0 1 271.788 3.247 20 10 CGCDMN Oc1ccc(F)cc1CN(Cc1ccccn1)C1CC1 ZINC000290605155 263117897 /nfs/dbraw/zinc/11/78/97/263117897.db2.gz WDIXBCJKTWFQAO-UHFFFAOYSA-N 0 1 272.323 3.091 20 10 CGCDMN COCC[C@@H]1CCCC[N@H+](Cc2ccccc2[O-])C1 ZINC000368666436 267196053 /nfs/dbraw/zinc/19/60/53/267196053.db2.gz LSQCBQWKYOJGGG-AWEZNQCLSA-N 0 1 263.381 3.031 20 10 CGCDMN COCC[C@@H]1CCCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000368666436 267196057 /nfs/dbraw/zinc/19/60/57/267196057.db2.gz LSQCBQWKYOJGGG-AWEZNQCLSA-N 0 1 263.381 3.031 20 10 CGCDMN Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000271138247 328195281 /nfs/dbraw/zinc/19/52/81/328195281.db2.gz VCXNQGOTMSONFL-LLVKDONJSA-N 0 1 291.782 3.148 20 10 CGCDMN [O-]c1c(F)cccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000290565252 328259366 /nfs/dbraw/zinc/25/93/66/328259366.db2.gz SONKMTNWRFQWNJ-UHFFFAOYSA-N 0 1 272.323 3.091 20 10 CGCDMN CCn1cnnc1CN[C@H](C)c1ccc2ccccc2c1O ZINC000273299240 334764014 /nfs/dbraw/zinc/76/40/14/334764014.db2.gz AWRRSRIZTTVQHK-GFCCVEGCSA-N 0 1 296.374 3.008 20 10 CGCDMN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000290297233 523891207 /nfs/dbraw/zinc/89/12/07/523891207.db2.gz YKNQRFZRIZNLFQ-KXUCPTDWSA-N 0 1 257.761 3.120 20 10 CGCDMN CSC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000292728201 525650992 /nfs/dbraw/zinc/65/09/92/525650992.db2.gz FZCDISNFRNDVCE-LLVKDONJSA-N 0 1 269.385 3.106 20 10 CGCDMN CCN(C)c1ccc(CN2C[C@H](C)OC(C)(C)C2)cc1 ZINC000741754598 572521991 /nfs/dbraw/zinc/52/19/91/572521991.db2.gz SPOKGYLRBRPMKK-AWEZNQCLSA-N 0 1 276.424 3.142 20 10 CGCDMN Cc1ccc(O)c(CNCc2ccn(-c3ccccc3)n2)c1 ZINC000733326017 572556223 /nfs/dbraw/zinc/55/62/23/572556223.db2.gz DCHZVGXRUXAMIV-UHFFFAOYSA-N 0 1 293.370 3.176 20 10 CGCDMN CCn1c(CNCc2cc(C)ccc2O)nc2ccccc21 ZINC000733328358 572556340 /nfs/dbraw/zinc/55/63/40/572556340.db2.gz PQDSBQLDXQEYGT-UHFFFAOYSA-N 0 1 295.386 3.360 20 10 CGCDMN C[C@@H](NCc1cccc(Br)c1O)C(F)(F)F ZINC000309743764 618767398 /nfs/dbraw/zinc/76/73/98/618767398.db2.gz DZUXMXJYFKNICH-ZCFIWIBFSA-N 0 1 298.102 3.195 20 10 CGCDMN O=C([O-])C[C@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000387807677 599840926 /nfs/dbraw/zinc/84/09/26/599840926.db2.gz RFSNQVKLXUZSRP-CQSZACIVSA-N 0 1 299.370 3.375 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOC1CCCCC1 ZINC000083552245 618009360 /nfs/dbraw/zinc/00/93/60/618009360.db2.gz WDSKIFICDNLAET-UHFFFAOYSA-N 0 1 283.799 3.485 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C)[C@H]2C)c1[O-] ZINC000050565924 618122939 /nfs/dbraw/zinc/12/29/39/618122939.db2.gz BQXUHCCWEFMTAY-WDEREUQCSA-N 0 1 279.355 3.354 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c1[O-] ZINC000050565924 618122943 /nfs/dbraw/zinc/12/29/43/618122943.db2.gz BQXUHCCWEFMTAY-WDEREUQCSA-N 0 1 279.355 3.354 20 10 CGCDMN CC[C@@H](CSC)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000091097052 618461521 /nfs/dbraw/zinc/46/15/21/618461521.db2.gz PZJVVUCVOSHBIZ-ZDUSSCGKSA-N 0 1 299.411 3.307 20 10 CGCDMN COCC1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000848561496 618564597 /nfs/dbraw/zinc/56/45/97/618564597.db2.gz XIVUFYMIWQIBOI-SNVBAGLBSA-N 0 1 269.772 3.123 20 10 CGCDMN CC[C@H]([NH2+]CCSC)c1cc(Cl)ccc1[O-] ZINC000309716233 619049330 /nfs/dbraw/zinc/04/93/30/619049330.db2.gz TUSYTIGSKZKUKG-NSHDSACASA-N 0 1 259.802 3.449 20 10 CGCDMN COc1cc(C)cc(CNCc2cc(F)ccc2F)c1O ZINC000894236401 619434474 /nfs/dbraw/zinc/43/44/74/619434474.db2.gz RBQULZFQRTXBNA-UHFFFAOYSA-N 0 1 293.313 3.277 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCCC2(CC2)C1 ZINC000894483115 619547909 /nfs/dbraw/zinc/54/79/09/619547909.db2.gz JCLXYSHCFDVQPK-UHFFFAOYSA-N 0 1 253.292 3.046 20 10 CGCDMN CCc1cccc(CN(C)Cc2ccns2)c1O ZINC000895452367 619832510 /nfs/dbraw/zinc/83/25/10/619832510.db2.gz KLWIPJYWIKTMDR-UHFFFAOYSA-N 0 1 262.378 3.043 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000895841568 619892398 /nfs/dbraw/zinc/89/23/98/619892398.db2.gz CSGYCARCMSSWRK-LRDDRELGSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000895841568 619892400 /nfs/dbraw/zinc/89/24/00/619892400.db2.gz CSGYCARCMSSWRK-LRDDRELGSA-N 0 1 295.810 3.355 20 10 CGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](O)c1ccccc1 ZINC000206876994 620230142 /nfs/dbraw/zinc/23/01/42/620230142.db2.gz OUGKLNCWWAUBJV-MEDUHNTESA-N 0 1 291.778 3.257 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897538779 620381029 /nfs/dbraw/zinc/38/10/29/620381029.db2.gz FUEZJFXWEHAEIL-BXUZGUMPSA-N 0 1 283.799 3.076 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898066203 620474087 /nfs/dbraw/zinc/47/40/87/620474087.db2.gz XZDNELHXPWPDSQ-XHDPSFHLSA-N 0 1 293.794 3.094 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000903300477 621667220 /nfs/dbraw/zinc/66/72/20/621667220.db2.gz IPSZBUVOLWGNAX-LEWSCRJBSA-N 0 1 282.815 3.179 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc(O)c1 ZINC000083461607 625522662 /nfs/dbraw/zinc/52/26/62/625522662.db2.gz LPVLIEIWMMFKMA-UHFFFAOYSA-N 0 1 263.724 3.041 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCCS1 ZINC000158060242 622994635 /nfs/dbraw/zinc/99/46/35/622994635.db2.gz CYVQMJMDAWFKAX-LBPRGKRZSA-N 0 1 271.813 3.421 20 10 CGCDMN COCCC(C)(C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000230863847 623279268 /nfs/dbraw/zinc/27/92/68/623279268.db2.gz NLMGQRCXPFPNIJ-UHFFFAOYSA-N 0 1 271.788 3.198 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2nccn2C(C)C)c1 ZINC000182392984 624996375 /nfs/dbraw/zinc/99/63/75/624996375.db2.gz QPYWBPYUKZPBMA-GFCCVEGCSA-N 0 1 289.379 3.029 20 10 CGCDMN CC(C)[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000121331743 626209530 /nfs/dbraw/zinc/20/95/30/626209530.db2.gz IGSVOMHTZWTPSG-UHFFFAOYSA-N 0 1 284.743 3.327 20 10 CGCDMN Cc1ncc(CN[C@@H](C)c2cc(Cl)ccc2O)o1 ZINC000840794340 626245146 /nfs/dbraw/zinc/24/51/46/626245146.db2.gz HRSFKKNDKOXKAH-QMMMGPOBSA-N 0 1 266.728 3.193 20 10 CGCDMN Cc1ncc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])o1 ZINC000840794340 626245148 /nfs/dbraw/zinc/24/51/48/626245148.db2.gz HRSFKKNDKOXKAH-QMMMGPOBSA-N 0 1 266.728 3.193 20 10 CGCDMN C[C@@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccn(C)n1 ZINC000840814966 626246668 /nfs/dbraw/zinc/24/66/68/626246668.db2.gz AOGNRKKPMNZCLF-BREBYQMCSA-N 0 1 289.354 3.164 20 10 CGCDMN C[C@@H](NCc1cnc(C2CC2)nc1)c1ccc(N(C)C)cc1 ZINC000839014818 626298791 /nfs/dbraw/zinc/29/87/91/626298791.db2.gz HVPIDGVTJQZHQQ-CYBMUJFWSA-N 0 1 296.418 3.271 20 10 CGCDMN CC[C@H]([NH2+]CC1(C)OCCCO1)c1cc(Cl)ccc1[O-] ZINC000754120680 626558591 /nfs/dbraw/zinc/55/85/91/626558591.db2.gz BFKJDMPLYQCZPC-ZDUSSCGKSA-N 0 1 299.798 3.239 20 10 CGCDMN C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000756434825 626705655 /nfs/dbraw/zinc/70/56/55/626705655.db2.gz ZWSMAQQXWWIHQP-IINYFYTJSA-N 0 1 282.815 3.036 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C1CCOCC1 ZINC000756656373 626725597 /nfs/dbraw/zinc/72/55/97/626725597.db2.gz WQHSSSVVCJGJAE-JTNHKYCSSA-N 0 1 293.382 3.484 20 10 CGCDMN Cc1noc(CCC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000756684034 626726332 /nfs/dbraw/zinc/72/63/32/626726332.db2.gz JNYQKXUMVHZGTE-VIFPVBQESA-N 0 1 295.770 3.020 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]CC2(CCO)CCC2)c2c1c(F)ccc2[O-] ZINC000756765947 626729964 /nfs/dbraw/zinc/72/99/64/626729964.db2.gz TWQRUKNARIRJHH-AAEUAGOBSA-N 0 1 293.382 3.222 20 10 CGCDMN COc1cccc([O-])c1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000768544104 627486093 /nfs/dbraw/zinc/48/60/93/627486093.db2.gz PFHRFAFRHFYKKS-LLVKDONJSA-N 0 1 251.370 3.267 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000768544104 627486097 /nfs/dbraw/zinc/48/60/97/627486097.db2.gz PFHRFAFRHFYKKS-LLVKDONJSA-N 0 1 251.370 3.267 20 10 CGCDMN COc1cccc([O-])c1C[N@H+](CC(C)C)C(C)C ZINC000768779400 627498256 /nfs/dbraw/zinc/49/82/56/627498256.db2.gz BTVDGPGBERIXAO-UHFFFAOYSA-N 0 1 251.370 3.267 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+](CC(C)C)C(C)C ZINC000768779400 627498260 /nfs/dbraw/zinc/49/82/60/627498260.db2.gz BTVDGPGBERIXAO-UHFFFAOYSA-N 0 1 251.370 3.267 20 10 CGCDMN COc1cccc(O)c1C[N@H+]1CCCC(C)(C)CC1 ZINC000769489867 627559839 /nfs/dbraw/zinc/55/98/39/627559839.db2.gz SKOQRAHYZHQOGN-UHFFFAOYSA-N 0 1 263.381 3.413 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+]1CCCC(C)(C)CC1 ZINC000769489867 627559842 /nfs/dbraw/zinc/55/98/42/627559842.db2.gz SKOQRAHYZHQOGN-UHFFFAOYSA-N 0 1 263.381 3.413 20 10 CGCDMN COc1cccc([O-])c1C[N@H+]1CCCC(C)(C)CC1 ZINC000769489867 627559845 /nfs/dbraw/zinc/55/98/45/627559845.db2.gz SKOQRAHYZHQOGN-UHFFFAOYSA-N 0 1 263.381 3.413 20 10 CGCDMN COc1cccc(CN2CC[C@H]2c2cccc(F)c2)c1O ZINC000769508668 627561098 /nfs/dbraw/zinc/56/10/98/627561098.db2.gz UFWIYQAXMBWXLJ-HNNXBMFYSA-N 0 1 287.334 3.487 20 10 CGCDMN CC(C)CO[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000770325388 627613752 /nfs/dbraw/zinc/61/37/52/627613752.db2.gz HOEQBDIADXYRRJ-GFCCVEGCSA-N 0 1 283.799 3.293 20 10 CGCDMN CC(C)CO[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000770325388 627613754 /nfs/dbraw/zinc/61/37/54/627613754.db2.gz HOEQBDIADXYRRJ-GFCCVEGCSA-N 0 1 283.799 3.293 20 10 CGCDMN CC(C)CO[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000770325388 627613756 /nfs/dbraw/zinc/61/37/56/627613756.db2.gz HOEQBDIADXYRRJ-GFCCVEGCSA-N 0 1 283.799 3.293 20 10 CGCDMN CCN(C)c1ccc(CN2CCOC(C)(C)[C@H]2C)cc1 ZINC000773765140 627912902 /nfs/dbraw/zinc/91/29/02/627912902.db2.gz GUNBCTRQQGTRFM-CQSZACIVSA-N 0 1 276.424 3.142 20 10 CGCDMN CCN(C)c1ccc(CN2C[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000773887221 627925366 /nfs/dbraw/zinc/92/53/66/627925366.db2.gz DZPRHWLNYVIPNJ-RRFJBIMHSA-N 0 1 276.424 3.140 20 10 CGCDMN CC[C@H](NCc1ccn(C(C)C)n1)c1ccccc1O ZINC000775413894 628092606 /nfs/dbraw/zinc/09/26/06/628092606.db2.gz JSUMCHAZEMPEKL-HNNXBMFYSA-N 0 1 273.380 3.411 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1cc(Cl)ccc1[O-] ZINC000775492216 628100464 /nfs/dbraw/zinc/10/04/64/628100464.db2.gz NLVSDYVQBZJPIK-TZMCWYRMSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@@H]([NH2+][C@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000775502810 628101832 /nfs/dbraw/zinc/10/18/32/628101832.db2.gz WCZBHUHCFDMOCP-WCQYABFASA-N 0 1 269.772 3.265 20 10 CGCDMN CC[C@@H](NCc1ccn(C)n1)c1cc(Cl)ccc1O ZINC000775523943 628103297 /nfs/dbraw/zinc/10/32/97/628103297.db2.gz BLZDAXYYUQQQER-CYBMUJFWSA-N 0 1 279.771 3.020 20 10 CGCDMN CC[C@@H]([NH2+]Cc1ccn(C)n1)c1cc(Cl)ccc1[O-] ZINC000775523943 628103301 /nfs/dbraw/zinc/10/33/01/628103301.db2.gz BLZDAXYYUQQQER-CYBMUJFWSA-N 0 1 279.771 3.020 20 10 CGCDMN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000775586679 628111541 /nfs/dbraw/zinc/11/15/41/628111541.db2.gz NIUQIJWPFXJTCG-UMVBOHGHSA-N 0 1 283.799 3.390 20 10 CGCDMN CCN1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775715544 628128016 /nfs/dbraw/zinc/12/80/16/628128016.db2.gz GPKOUOJLSQHUGI-JSGCOSHPSA-N 0 1 296.842 3.350 20 10 CGCDMN CCN1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775715544 628128023 /nfs/dbraw/zinc/12/80/23/628128023.db2.gz GPKOUOJLSQHUGI-JSGCOSHPSA-N 0 1 296.842 3.350 20 10 CGCDMN COc1cccc(CNCc2c(F)cccc2Cl)c1O ZINC000776117836 628170677 /nfs/dbraw/zinc/17/06/77/628170677.db2.gz YNSZACLXYWFUIK-UHFFFAOYSA-N 0 1 295.741 3.483 20 10 CGCDMN Cc1cc(O)c(CN2CCO[C@H](C3CC3)C2)cc1C(C)C ZINC000776773751 628231286 /nfs/dbraw/zinc/23/12/86/628231286.db2.gz VSVQADZQSCGRTH-SFHVURJKSA-N 0 1 289.419 3.435 20 10 CGCDMN CC[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000788984249 629093933 /nfs/dbraw/zinc/09/39/33/629093933.db2.gz JGDNANWNDSYISK-JKOKRWQUSA-N 0 1 283.799 3.247 20 10 CGCDMN CCN(Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000862220170 629325072 /nfs/dbraw/zinc/32/50/72/629325072.db2.gz LCNOGZJHASFNBK-UHFFFAOYSA-N 0 1 254.324 3.015 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000862249860 629331581 /nfs/dbraw/zinc/33/15/81/629331581.db2.gz FKLLCOGSZXVALP-NSHDSACASA-N 0 1 296.208 3.387 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000862249860 629331582 /nfs/dbraw/zinc/33/15/82/629331582.db2.gz FKLLCOGSZXVALP-NSHDSACASA-N 0 1 296.208 3.387 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CCOCC12CCCC2 ZINC000792168834 629343860 /nfs/dbraw/zinc/34/38/60/629343860.db2.gz GMUDKWILPBWTER-UHFFFAOYSA-N 0 1 299.773 3.330 20 10 CGCDMN CCCN(Cc1cc(C)ccc1O)[C@H](CC)C(=O)OCC ZINC000792185262 629346775 /nfs/dbraw/zinc/34/67/75/629346775.db2.gz CVZJMOFJGQAPKO-OAHLLOKOSA-N 0 1 293.407 3.254 20 10 CGCDMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000793227445 629431947 /nfs/dbraw/zinc/43/19/47/629431947.db2.gz CETCDOIAQTXDBD-DTORHVGOSA-N 0 1 270.170 3.137 20 10 CGCDMN C[C@H](NCc1cccnc1F)c1ccc(N(C)C)cc1 ZINC000794833008 629584194 /nfs/dbraw/zinc/58/41/94/629584194.db2.gz JLIJCUCBHOHMIG-LBPRGKRZSA-N 0 1 273.355 3.138 20 10 CGCDMN CC1=C[C@@H](C)C[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000797416865 629944733 /nfs/dbraw/zinc/94/47/33/629944733.db2.gz LBPBAXKCEINHJZ-GFCCVEGCSA-N 0 1 268.360 3.338 20 10 CGCDMN CC1=C[C@@H](C)C[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000797416865 629944738 /nfs/dbraw/zinc/94/47/38/629944738.db2.gz LBPBAXKCEINHJZ-GFCCVEGCSA-N 0 1 268.360 3.338 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN[C@@H]1CCCC1(F)F ZINC000808432060 630643987 /nfs/dbraw/zinc/64/39/87/630643987.db2.gz UBUJJPWNXHBKGX-SNVBAGLBSA-N 0 1 279.689 3.462 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237218 630858087 /nfs/dbraw/zinc/85/80/87/630858087.db2.gz ABTGFJMTCPKKHS-JOYOIKCWSA-N 0 1 291.313 3.487 20 10 CGCDMN CC[C@@H]([NH2+]CCN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239640 630858114 /nfs/dbraw/zinc/85/81/14/630858114.db2.gz FMEPEBCKAAQPBB-GFCCVEGCSA-N 0 1 290.329 3.013 20 10 CGCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)[C@@H]1[C@H]1CCCO1 ZINC000811511060 631080169 /nfs/dbraw/zinc/08/01/69/631080169.db2.gz SZEXZVHMRFKNJU-HUUCEWRRSA-N 0 1 295.810 3.435 20 10 CGCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)[C@@H]1[C@H]1CCCO1 ZINC000811511060 631080170 /nfs/dbraw/zinc/08/01/70/631080170.db2.gz SZEXZVHMRFKNJU-HUUCEWRRSA-N 0 1 295.810 3.435 20 10 CGCDMN Cc1ccc(NC(=O)CN(C)Cc2c(C)cccc2O)cc1 ZINC000876530214 634851753 /nfs/dbraw/zinc/85/17/53/634851753.db2.gz RBGMOAPSKZXTDV-UHFFFAOYSA-N 0 1 298.386 3.080 20 10 CGCDMN CCN(C)c1ccc(CN(C)Cc2cnccc2C)cc1 ZINC000815105580 631717557 /nfs/dbraw/zinc/71/75/57/631717557.db2.gz HHWGLLAGRJJWAO-UHFFFAOYSA-N 0 1 283.419 3.478 20 10 CGCDMN CCOc1cccc(CNc2cc3c(cn2)CCC3)c1O ZINC000815159341 631732806 /nfs/dbraw/zinc/73/28/06/631732806.db2.gz QSNULDUUMIPLCL-UHFFFAOYSA-N 0 1 284.359 3.287 20 10 CGCDMN CC[C@H]1CO[C@H](C)CN1Cc1cc(Cl)c(F)cc1O ZINC000816481215 631987183 /nfs/dbraw/zinc/98/71/83/631987183.db2.gz MWHVMLUXRTYHIG-KOLCDFICSA-N 0 1 287.762 3.184 20 10 CGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@@H]1CCCO1 ZINC000816484755 631989118 /nfs/dbraw/zinc/98/91/18/631989118.db2.gz NNHJOPPEKWTQAW-HNNXBMFYSA-N 0 1 271.360 3.156 20 10 CGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@@H]1CCCO1 ZINC000816484755 631989127 /nfs/dbraw/zinc/98/91/27/631989127.db2.gz NNHJOPPEKWTQAW-HNNXBMFYSA-N 0 1 271.360 3.156 20 10 CGCDMN C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816513208 632000859 /nfs/dbraw/zinc/00/08/59/632000859.db2.gz JWKZZCFUQSCTMM-XJKSGUPXSA-N 0 1 285.387 3.281 20 10 CGCDMN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816513208 632000861 /nfs/dbraw/zinc/00/08/61/632000861.db2.gz JWKZZCFUQSCTMM-XJKSGUPXSA-N 0 1 285.387 3.281 20 10 CGCDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816519990 632001692 /nfs/dbraw/zinc/00/16/92/632001692.db2.gz CBKIAPARQRZDEF-DTWKUNHWSA-N 0 1 257.736 3.415 20 10 CGCDMN CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548713 632007004 /nfs/dbraw/zinc/00/70/04/632007004.db2.gz QBJIJHYIEFOFHS-WBMJQRKESA-N 0 1 273.376 3.042 20 10 CGCDMN COCCCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816544115 632007391 /nfs/dbraw/zinc/00/73/91/632007391.db2.gz XWCQCESBWQRPFZ-UHFFFAOYSA-N 0 1 273.376 3.452 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@@H](O)c2ccsc2)ccc2ccccc12 ZINC000816552733 632009711 /nfs/dbraw/zinc/00/97/11/632009711.db2.gz UTYCONSHEHIPLO-MRXNPFEDSA-N 0 1 299.395 3.430 20 10 CGCDMN C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816557453 632012204 /nfs/dbraw/zinc/01/22/04/632012204.db2.gz QNNVUIPICHMEHF-SCLBCKFNSA-N 0 1 296.414 3.118 20 10 CGCDMN Oc1c(C[N@H+]2CC[C@H](OC(F)F)C2)ccc2ccccc21 ZINC000816600988 632021384 /nfs/dbraw/zinc/02/13/84/632021384.db2.gz NSPCOPKQTPNTOE-ZDUSSCGKSA-N 0 1 293.313 3.359 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@H](OC(F)F)C2)ccc2ccccc21 ZINC000816600988 632021389 /nfs/dbraw/zinc/02/13/89/632021389.db2.gz NSPCOPKQTPNTOE-ZDUSSCGKSA-N 0 1 293.313 3.359 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@H](OC(F)F)C2)ccc2ccccc21 ZINC000816600988 632021394 /nfs/dbraw/zinc/02/13/94/632021394.db2.gz NSPCOPKQTPNTOE-ZDUSSCGKSA-N 0 1 293.313 3.359 20 10 CGCDMN CO[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000816651078 632036768 /nfs/dbraw/zinc/03/67/68/632036768.db2.gz RVQZFWABTHIWJK-INIZCTEOSA-N 0 1 271.360 3.060 20 10 CGCDMN CC[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000817414671 632145230 /nfs/dbraw/zinc/14/52/30/632145230.db2.gz HZEZVSZKTCTXLJ-MNOVXSKESA-N 0 1 269.772 3.093 20 10 CGCDMN CCC[NH2+]CCN[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817961844 632257327 /nfs/dbraw/zinc/25/73/27/632257327.db2.gz DNELDOANLHYZMW-SECBINFHSA-N 0 1 291.222 3.349 20 10 CGCDMN C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817977227 632268633 /nfs/dbraw/zinc/26/86/33/632268633.db2.gz FDEAEZPUFJFNKN-FXQIFTODSA-N 0 1 277.195 3.085 20 10 CGCDMN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(Cl)c1[O-] ZINC000818614771 632341848 /nfs/dbraw/zinc/34/18/48/632341848.db2.gz GDTJQKRREDTYCY-MGPQQGTHSA-N 0 1 282.815 3.356 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865875249 632936333 /nfs/dbraw/zinc/93/63/33/632936333.db2.gz MQRXFXJBIPIHPO-CQSZACIVSA-N 0 1 283.799 3.076 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CC(CC(F)F)C1 ZINC000822521165 632959641 /nfs/dbraw/zinc/95/96/41/632959641.db2.gz XRRWVSPUDMBQNK-UHFFFAOYSA-N 0 1 261.699 3.133 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(Cl)cc1[O-] ZINC000866633144 633222487 /nfs/dbraw/zinc/22/24/87/633222487.db2.gz FZXMMVOURNXIOH-MFKMUULPSA-N 0 1 291.782 3.428 20 10 CGCDMN C[C@H](CCCO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824608803 633264242 /nfs/dbraw/zinc/26/42/42/633264242.db2.gz RCTVRKFDDFPYAF-CYBMUJFWSA-N 0 1 273.376 3.044 20 10 CGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824650121 633267472 /nfs/dbraw/zinc/26/74/72/633267472.db2.gz JBYCDUCIOUQZAA-GFCCVEGCSA-N 0 1 282.181 3.139 20 10 CGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824650121 633267475 /nfs/dbraw/zinc/26/74/75/633267475.db2.gz JBYCDUCIOUQZAA-GFCCVEGCSA-N 0 1 282.181 3.139 20 10 CGCDMN Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824715171 633278081 /nfs/dbraw/zinc/27/80/81/633278081.db2.gz IVVXRCYNAWYIEH-FMKPAKJESA-N 0 1 295.810 3.171 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824715171 633278084 /nfs/dbraw/zinc/27/80/84/633278084.db2.gz IVVXRCYNAWYIEH-FMKPAKJESA-N 0 1 295.810 3.171 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824715171 633278087 /nfs/dbraw/zinc/27/80/87/633278087.db2.gz IVVXRCYNAWYIEH-FMKPAKJESA-N 0 1 295.810 3.171 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1C ZINC000824815669 633295028 /nfs/dbraw/zinc/29/50/28/633295028.db2.gz WJYJLYFVBPQLQS-FZKQIMNGSA-N 0 1 285.387 3.402 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1C ZINC000824815669 633295036 /nfs/dbraw/zinc/29/50/36/633295036.db2.gz WJYJLYFVBPQLQS-FZKQIMNGSA-N 0 1 285.387 3.402 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@H]2c2ccccn2)ccc(F)c1F ZINC000876585432 634862074 /nfs/dbraw/zinc/86/20/74/634862074.db2.gz LJLLUYXXIYCTCA-CQSZACIVSA-N 0 1 290.313 3.403 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000824914639 633304752 /nfs/dbraw/zinc/30/47/52/633304752.db2.gz WOYMZXJLMHNQER-CYBMUJFWSA-N 0 1 283.824 3.373 20 10 CGCDMN Oc1ccc(F)cc1CN1CCOCC12CCCCC2 ZINC000825098440 633328635 /nfs/dbraw/zinc/32/86/35/633328635.db2.gz ILDCPQNDRLJPOH-UHFFFAOYSA-N 0 1 279.355 3.066 20 10 CGCDMN CCOCCCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825126958 633331051 /nfs/dbraw/zinc/33/10/51/633331051.db2.gz UNYQZZBICKZCIS-UHFFFAOYSA-N 0 1 271.788 3.260 20 10 CGCDMN Cc1cc(O)c(CNCc2ccn(C(C)C)n2)cc1Cl ZINC000825297362 633343315 /nfs/dbraw/zinc/34/33/15/633343315.db2.gz CDFMDCPCBQSTQL-UHFFFAOYSA-N 0 1 293.798 3.421 20 10 CGCDMN COC[C@H](NCc1cc(Cl)c(C)cc1O)c1ccco1 ZINC000825325758 633345397 /nfs/dbraw/zinc/34/53/97/633345397.db2.gz IMWFCEJVSOEPPT-ZDUSSCGKSA-N 0 1 295.766 3.424 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCO[C@H](C)C2)cc1Cl ZINC000825406511 633353071 /nfs/dbraw/zinc/35/30/71/633353071.db2.gz UPQVHABOBHFTRN-NEPJUHHUSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc(O)c(CN[C@H](CCO)c2ccco2)cc1Cl ZINC000825536704 633362954 /nfs/dbraw/zinc/36/29/54/633362954.db2.gz LKJUMTUVFMFOFQ-CYBMUJFWSA-N 0 1 295.766 3.160 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1Cl ZINC000825739040 633379511 /nfs/dbraw/zinc/37/95/11/633379511.db2.gz WKVLVXPVLWOOCY-OAHLLOKOSA-N 0 1 283.799 3.091 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@](C)(O)CC2)cc1Cl ZINC000825739040 633379515 /nfs/dbraw/zinc/37/95/15/633379515.db2.gz WKVLVXPVLWOOCY-OAHLLOKOSA-N 0 1 283.799 3.091 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc1Cl ZINC000826122085 633406660 /nfs/dbraw/zinc/40/66/60/633406660.db2.gz XNRLGEIWZIGORI-UTUOFQBUSA-N 0 1 283.799 3.257 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CS[C@H](C)C2)cc1Cl ZINC000826120272 633406828 /nfs/dbraw/zinc/40/68/28/633406828.db2.gz ARGLVNQWFSDIBB-KOLCDFICSA-N 0 1 271.813 3.338 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CCC([C@@H](C)CO)CC2)cc1Cl ZINC000826139705 633407597 /nfs/dbraw/zinc/40/75/97/633407597.db2.gz LVCJHJCPWBXELV-LBPRGKRZSA-N 0 1 297.826 3.194 20 10 CGCDMN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c1O ZINC000827151764 633465367 /nfs/dbraw/zinc/46/53/67/633465367.db2.gz JHKJYJCBXXYRPQ-INIZCTEOSA-N 0 1 295.810 3.091 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506245 633495239 /nfs/dbraw/zinc/49/52/39/633495239.db2.gz FKGIWYLDKGIQRW-RKDXNWHRSA-N 0 1 255.720 3.027 20 10 CGCDMN CCn1ccnc1CN[C@H](C)c1cc(Cl)cc(C)c1O ZINC000834880405 634262957 /nfs/dbraw/zinc/26/29/57/634262957.db2.gz YCHOQBDSBSZNJW-LLVKDONJSA-N 0 1 293.798 3.421 20 10 CGCDMN CCCc1ncc(CN[C@H](C)c2ccccc2O)o1 ZINC000834899635 634276726 /nfs/dbraw/zinc/27/67/26/634276726.db2.gz LFCSJIZVDGUFCQ-LLVKDONJSA-N 0 1 260.337 3.184 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c2c1c(F)ccc2[O-] ZINC000834904820 634281577 /nfs/dbraw/zinc/28/15/77/634281577.db2.gz QVLIHCAGRQMYRA-CMPLNLGQSA-N 0 1 295.398 3.466 20 10 CGCDMN Cc1occc1C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876635200 634872062 /nfs/dbraw/zinc/87/20/62/634872062.db2.gz OUPFTAVUKNLUGU-UHFFFAOYSA-N 0 1 267.275 3.204 20 10 CGCDMN Cc1ccc(CNCc2cc(C(C)C)no2)c(O)c1 ZINC000877031646 634955800 /nfs/dbraw/zinc/95/58/00/634955800.db2.gz SINOBHYXNQJVKE-UHFFFAOYSA-N 0 1 260.337 3.102 20 10 CGCDMN Cc1csc(C(C)(C)NCc2ccc(C)cc2O)n1 ZINC000877037075 634959104 /nfs/dbraw/zinc/95/91/04/634959104.db2.gz YWTLNQUUJPJXKL-UHFFFAOYSA-N 0 1 276.405 3.490 20 10 CGCDMN Cc1cccc(O)c1CNCc1nc(C2CC2)cs1 ZINC000877109611 634985757 /nfs/dbraw/zinc/98/57/57/634985757.db2.gz CWTFGGQYGDILNS-UHFFFAOYSA-N 0 1 274.389 3.324 20 10 CGCDMN CCn1ccc(CN[C@@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000840840503 635062650 /nfs/dbraw/zinc/06/26/50/635062650.db2.gz ILUQKLGFYKZHTF-NSHDSACASA-N 0 1 293.798 3.421 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(C)CCCO2)c(Cl)c1 ZINC000840906250 635079058 /nfs/dbraw/zinc/07/90/58/635079058.db2.gz WSVDOIYNLUUYJW-CQSZACIVSA-N 0 1 269.772 3.013 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C[C@@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000840910545 635079821 /nfs/dbraw/zinc/07/98/21/635079821.db2.gz OYFBJJKGGZBREC-LBPRGKRZSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000840910545 635079825 /nfs/dbraw/zinc/07/98/25/635079825.db2.gz OYFBJJKGGZBREC-LBPRGKRZSA-N 0 1 295.810 3.355 20 10 CGCDMN CCCc1ncc(CNCc2ccc(N(C)C)cc2C)o1 ZINC000840950034 635090950 /nfs/dbraw/zinc/09/09/50/635090950.db2.gz DYIAKRJRFWALBA-UHFFFAOYSA-N 0 1 287.407 3.291 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCC[C@@H]2CCOC2)c(Cl)c1 ZINC000840952231 635092138 /nfs/dbraw/zinc/09/21/38/635092138.db2.gz XBSYJGWIAORZCH-GFCCVEGCSA-N 0 1 283.799 3.260 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@H](c3cccnc3)C2)ccc(F)c1F ZINC000877605133 635108646 /nfs/dbraw/zinc/10/86/46/635108646.db2.gz VFJFTJQSURFAEG-LBPRGKRZSA-N 0 1 290.313 3.055 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877739387 635172612 /nfs/dbraw/zinc/17/26/12/635172612.db2.gz SBEOAAUJJGPGMU-RYUDHWBXSA-N 0 1 283.824 3.231 20 10 CGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)OCCCF ZINC000841520866 635189668 /nfs/dbraw/zinc/18/96/68/635189668.db2.gz BJFAOFXWKLABBG-UHFFFAOYSA-N 0 1 296.125 3.285 20 10 CGCDMN CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757106 635231110 /nfs/dbraw/zinc/23/11/10/635231110.db2.gz MGSUJPUAZLUUFN-GAJTVXKRSA-N 0 1 269.772 3.264 20 10 CGCDMN CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841765089 635234706 /nfs/dbraw/zinc/23/47/06/635234706.db2.gz UZBFHYFYIQBTHG-IINYFYTJSA-N 0 1 271.788 3.247 20 10 CGCDMN COc1ccc(CN[C@H]2COCc3ccccc32)cc1C ZINC000841889444 635246978 /nfs/dbraw/zinc/24/69/78/635246978.db2.gz BPXDDKODIJMLHW-KRWDZBQOSA-N 0 1 283.371 3.365 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000841889432 635247663 /nfs/dbraw/zinc/24/76/63/635247663.db2.gz BJBUXYUFLZGVLA-OAHLLOKOSA-N 0 1 289.762 3.407 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1O)C[C@H]1CCO[C@@H]1C ZINC000878565647 635557763 /nfs/dbraw/zinc/55/77/63/635557763.db2.gz NFTFLMNOUUXWSQ-HUUCEWRRSA-N 0 1 277.408 3.419 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@@H]1C ZINC000878565647 635557768 /nfs/dbraw/zinc/55/77/68/635557768.db2.gz NFTFLMNOUUXWSQ-HUUCEWRRSA-N 0 1 277.408 3.419 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@@H]1C ZINC000878565647 635557774 /nfs/dbraw/zinc/55/77/74/635557774.db2.gz NFTFLMNOUUXWSQ-HUUCEWRRSA-N 0 1 277.408 3.419 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000843416969 635663204 /nfs/dbraw/zinc/66/32/04/635663204.db2.gz NBCGWCZJCVLGHF-IUODEOHRSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000843416969 635663210 /nfs/dbraw/zinc/66/32/10/635663210.db2.gz NBCGWCZJCVLGHF-IUODEOHRSA-N 0 1 295.810 3.437 20 10 CGCDMN COC(=O)c1sccc1CN[C@H](C)c1ccccc1O ZINC000879648506 635824805 /nfs/dbraw/zinc/82/48/05/635824805.db2.gz RLWUIVTXXKUIBA-SNVBAGLBSA-N 0 1 291.372 3.091 20 10 CGCDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000844939110 635988373 /nfs/dbraw/zinc/98/83/73/635988373.db2.gz ZUMULYOYZFUCKZ-INIZCTEOSA-N 0 1 299.370 3.354 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCCC(F)(F)C1 ZINC000846014577 636129769 /nfs/dbraw/zinc/12/97/69/636129769.db2.gz RCZDZRXXIAZAJW-UHFFFAOYSA-N 0 1 279.689 3.416 20 10 CGCDMN C[C@H](CO)C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000846057349 636139714 /nfs/dbraw/zinc/13/97/14/636139714.db2.gz HICQSFZTSGJXIR-CQSZACIVSA-N 0 1 299.414 3.386 20 10 CGCDMN CCOc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])n1 ZINC000846058456 636140056 /nfs/dbraw/zinc/14/00/56/636140056.db2.gz PEDZTTICEJOELE-UHFFFAOYSA-N 0 1 292.766 3.129 20 10 CGCDMN COc1cccc([C@@H](C)NCc2ncc(C)s2)c1O ZINC000846145004 636149416 /nfs/dbraw/zinc/14/94/16/636149416.db2.gz JIEJEYGKLPWPSG-SNVBAGLBSA-N 0 1 278.377 3.017 20 10 CGCDMN C[C@H]([NH2+]CCc1ccns1)c1cc(Cl)ccc1[O-] ZINC000883247615 636617482 /nfs/dbraw/zinc/61/74/82/636617482.db2.gz QMVZIZIQTQDHJP-VIFPVBQESA-N 0 1 282.796 3.395 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCCO1 ZINC000132655536 636827621 /nfs/dbraw/zinc/82/76/21/636827621.db2.gz HTLZFKLJBHXZPC-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCO1 ZINC000132655536 636827627 /nfs/dbraw/zinc/82/76/27/636827627.db2.gz HTLZFKLJBHXZPC-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCO1 ZINC000132655536 636827631 /nfs/dbraw/zinc/82/76/31/636827631.db2.gz HTLZFKLJBHXZPC-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850369817 637032694 /nfs/dbraw/zinc/03/26/94/637032694.db2.gz BLLNEYLRGQLRJO-GOEBONIOSA-N 0 1 289.762 3.314 20 10 CGCDMN CC(C)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134902258 637049794 /nfs/dbraw/zinc/04/97/94/637049794.db2.gz LXPXWEXTSOWGPH-SECBINFHSA-N 0 1 272.186 3.461 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c(Cl)c1 ZINC000858298618 638675310 /nfs/dbraw/zinc/67/53/10/638675310.db2.gz MSHDGUTYEPWGAE-XHDPSFHLSA-N 0 1 281.783 3.011 20 10 CGCDMN C/C=C/C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000858538928 638757486 /nfs/dbraw/zinc/75/74/86/638757486.db2.gz ZEPXDTBUQUYVQN-CDAZIORVSA-N 0 1 270.170 3.381 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)[C@H](C)C2)c1[O-] ZINC000092086288 640730520 /nfs/dbraw/zinc/73/05/20/640730520.db2.gz DWKXZWUFOYOMMV-AOOOYVTPSA-N 0 1 281.783 3.336 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1[O-] ZINC000092086288 640730528 /nfs/dbraw/zinc/73/05/28/640730528.db2.gz DWKXZWUFOYOMMV-AOOOYVTPSA-N 0 1 281.783 3.336 20 10 CGCDMN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1cc(F)ccc1[O-] ZINC000248519999 640765561 /nfs/dbraw/zinc/76/55/61/640765561.db2.gz QUDLXQFQUALZIL-IUIKQTSFSA-N 0 1 281.371 3.123 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCOCC(F)(F)F ZINC000113320631 640975888 /nfs/dbraw/zinc/97/58/88/640975888.db2.gz FQUNTVGUYDKGBC-UHFFFAOYSA-N 0 1 297.704 3.104 20 10 CGCDMN CC(C)(NCc1ccc(O)c(O)c1)c1ccnc(Cl)c1 ZINC001159005507 806030591 /nfs/dbraw/zinc/03/05/91/806030591.db2.gz NTOIAJADQNFHIS-UHFFFAOYSA-N 0 1 292.766 3.171 20 10 CGCDMN c1coc(CNCc2ccc(N3CCSCC3)cc2)c1 ZINC000069716487 798914644 /nfs/dbraw/zinc/91/46/44/798914644.db2.gz GWKFTVMKWYQOAM-UHFFFAOYSA-N 0 1 288.416 3.123 20 10 CGCDMN CCOc1cccc(C[N@@H+](C)CC2CC(F)(F)C2)c1O ZINC000383145115 799400231 /nfs/dbraw/zinc/40/02/31/799400231.db2.gz GHXZKKLVKMRSOX-UHFFFAOYSA-N 0 1 285.334 3.268 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOCc1ccccc1 ZINC000390180004 799469859 /nfs/dbraw/zinc/46/98/59/799469859.db2.gz JMESHKZKYFIDLR-UHFFFAOYSA-N 0 1 291.778 3.352 20 10 CGCDMN Cc1nocc1CNCc1ccc(N2CCCCC2)cc1 ZINC000397930649 799523076 /nfs/dbraw/zinc/52/30/76/799523076.db2.gz UMBXVHMZHRDZST-UHFFFAOYSA-N 0 1 285.391 3.263 20 10 CGCDMN CO[C@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000687212154 799737505 /nfs/dbraw/zinc/73/75/05/799737505.db2.gz HLLSNRHARVFIOD-GWCFXTLKSA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000687212154 799737509 /nfs/dbraw/zinc/73/75/09/799737509.db2.gz HLLSNRHARVFIOD-GWCFXTLKSA-N 0 1 269.772 3.045 20 10 CGCDMN Cc1cnc(CC[NH2+]Cc2c([O-])cccc2Cl)c(C)c1 ZINC000689400970 799762724 /nfs/dbraw/zinc/76/27/24/799762724.db2.gz JHTYQNQZADVSNJ-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN CC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C1CC1 ZINC000691500517 799785550 /nfs/dbraw/zinc/78/55/50/799785550.db2.gz HSKAHFLVTANLIX-LBPRGKRZSA-N 0 1 284.197 3.433 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H](C)C2)c1[O-] ZINC000703271373 799921692 /nfs/dbraw/zinc/92/16/92/799921692.db2.gz CNAQBLNHZUNBQI-LLVKDONJSA-N 0 1 279.355 3.356 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000711476451 800062208 /nfs/dbraw/zinc/06/22/08/800062208.db2.gz MRVVEFQLPCDMBR-JTQLQIEISA-N 0 1 257.736 3.227 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711839049 800075268 /nfs/dbraw/zinc/07/52/68/800075268.db2.gz DQQIRVDCKLWPJH-WBMJQRKESA-N 0 1 295.810 3.340 20 10 CGCDMN CC(C)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715703195 800145069 /nfs/dbraw/zinc/14/50/69/800145069.db2.gz OZCSNWWSCFYMJL-UHFFFAOYSA-N 0 1 276.149 3.134 20 10 CGCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1ccns1 ZINC000715957056 800155756 /nfs/dbraw/zinc/15/57/56/800155756.db2.gz ZVZHJKLZOIPSBK-NSHDSACASA-N 0 1 261.394 3.060 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722319449 800312684 /nfs/dbraw/zinc/31/26/84/800312684.db2.gz JGHQKGKQWINXQN-DZGCQCFKSA-N 0 1 281.783 3.093 20 10 CGCDMN Cc1cc(C)c(N)c(-c2nccc3c2ccn3C)c1 ZINC001244592494 803457865 /nfs/dbraw/zinc/45/78/65/803457865.db2.gz VAULPAUAMQWGMF-UHFFFAOYSA-N 0 1 251.333 3.439 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001137831905 803777128 /nfs/dbraw/zinc/77/71/28/803777128.db2.gz RMKHZCLOHWGXCY-PSASIEDQSA-N 0 1 295.251 3.111 20 10 CGCDMN Cc1c(CN2CCO[C@H](C(C)C)C2)c2ccccc2n1C ZINC001138258060 803885453 /nfs/dbraw/zinc/88/54/53/803885453.db2.gz JSECERAKKOCUPP-SFHVURJKSA-N 0 1 286.419 3.344 20 10 CGCDMN Cc1cc(CN2CC[C@@](C)(F)[C@@H](F)C2)ccc1N(C)C ZINC001139669617 804246240 /nfs/dbraw/zinc/24/62/40/804246240.db2.gz DLUNKFJSEUKREA-JKSUJKDBSA-N 0 1 282.378 3.333 20 10 CGCDMN C[N@@H+](CCc1ccc(F)cc1)Cc1c(F)ccc(F)c1[O-] ZINC001139683570 804251916 /nfs/dbraw/zinc/25/19/16/804251916.db2.gz MPIAPILQTHFIKR-UHFFFAOYSA-N 0 1 295.304 3.484 20 10 CGCDMN Oc1ccc(F)cc1CN1CCOC[C@@H]1C1CCCCC1 ZINC001140060504 804365124 /nfs/dbraw/zinc/36/51/24/804365124.db2.gz ZAMWUFNJUQQCOI-MRXNPFEDSA-N 0 1 293.382 3.312 20 10 CGCDMN Cc1ccc(C)c(CN2CC(OCc3ccccc3)C2)c1O ZINC001140179756 804396416 /nfs/dbraw/zinc/39/64/16/804396416.db2.gz OHHDBAWDIAWBQQ-UHFFFAOYSA-N 0 1 297.398 3.410 20 10 CGCDMN CC[N@@H+](Cc1ccc(Cl)cc1[O-])C1CCOCC1 ZINC001140466939 804442555 /nfs/dbraw/zinc/44/25/55/804442555.db2.gz NACKYBMKWKAKIQ-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN CCCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466478 804443477 /nfs/dbraw/zinc/44/34/77/804443477.db2.gz HBDCEZIVGDFZOR-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466478 804443482 /nfs/dbraw/zinc/44/34/82/804443482.db2.gz HBDCEZIVGDFZOR-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCCC(F)(F)CC1 ZINC001140582647 804466836 /nfs/dbraw/zinc/46/68/36/804466836.db2.gz LNIUNVOXWNSCHN-UHFFFAOYSA-N 0 1 277.261 3.292 20 10 CGCDMN Cc1ncccc1C[N@@H+](C)Cc1c([O-])cc(F)cc1F ZINC001140585278 804467775 /nfs/dbraw/zinc/46/77/75/804467775.db2.gz CRMKWDSBXOAIHQ-UHFFFAOYSA-N 0 1 278.302 3.006 20 10 CGCDMN Cc1ncccc1C[N@H+](C)Cc1c([O-])cc(F)cc1F ZINC001140585278 804467779 /nfs/dbraw/zinc/46/77/79/804467779.db2.gz CRMKWDSBXOAIHQ-UHFFFAOYSA-N 0 1 278.302 3.006 20 10 CGCDMN Cc1c(O)ccc(C[N@@H+](Cc2ccco2)C2CC2)c1O ZINC001140747811 804504900 /nfs/dbraw/zinc/50/49/00/804504900.db2.gz MLZFCXABEFVWPH-UHFFFAOYSA-N 0 1 273.332 3.164 20 10 CGCDMN CO[C@@H]1CCCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140921679 804549684 /nfs/dbraw/zinc/54/96/84/804549684.db2.gz MRINBMQBIYWGKI-CQSZACIVSA-N 0 1 282.815 3.017 20 10 CGCDMN CN(C)c1ccc(CN2CCC[C@@]3(CCO3)C2)c(Cl)c1 ZINC001140926047 804551024 /nfs/dbraw/zinc/55/10/24/804551024.db2.gz YGOBXGFANQRLCM-MRXNPFEDSA-N 0 1 294.826 3.161 20 10 CGCDMN CN(C)c1ccc(CN(C)C[C@@H]2CCCCO2)c(Cl)c1 ZINC001140924942 804551247 /nfs/dbraw/zinc/55/12/47/804551247.db2.gz XSOMCNNSROLSTI-HNNXBMFYSA-N 0 1 296.842 3.407 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CCC[C@@H](C)CC2)c(OC)c1 ZINC001141031506 804575155 /nfs/dbraw/zinc/57/51/55/804575155.db2.gz HEJOPQHJEMVXGT-GFCCVEGCSA-N 0 1 279.380 3.031 20 10 CGCDMN CN1CCOc2cc(CN3CCc4ccccc4C3)ccc21 ZINC001141139024 804596718 /nfs/dbraw/zinc/59/67/18/804596718.db2.gz GOKHGTDUWYRQFI-UHFFFAOYSA-N 0 1 294.398 3.074 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001142512597 804729129 /nfs/dbraw/zinc/72/91/29/804729129.db2.gz FORYDAIROJLQTP-AOOOYVTPSA-N 0 1 289.272 3.148 20 10 CGCDMN C[C@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCCC1=O ZINC001143103962 804801252 /nfs/dbraw/zinc/80/12/52/804801252.db2.gz NVPHVAPDXRCPNR-ZDUSSCGKSA-N 0 1 289.419 3.491 20 10 CGCDMN CC(C)(C)c1cccc(CN2CCOCC23CCC3)c1O ZINC001143112802 804803979 /nfs/dbraw/zinc/80/39/79/804803979.db2.gz YYBUOUZVLGUMJD-UHFFFAOYSA-N 0 1 289.419 3.445 20 10 CGCDMN CC(C)(C)c1cccc(CN2CCOC3(CC3)C2)c1O ZINC001143117150 804805574 /nfs/dbraw/zinc/80/55/74/804805574.db2.gz VKIZOGAQVCKLAP-UHFFFAOYSA-N 0 1 275.392 3.055 20 10 CGCDMN COc1c(F)cc(F)cc1CN(C)Cc1ccccc1O ZINC001143563087 804865231 /nfs/dbraw/zinc/86/52/31/804865231.db2.gz MJCVNLABPIYKFE-UHFFFAOYSA-N 0 1 293.313 3.311 20 10 CGCDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC001248879653 805029807 /nfs/dbraw/zinc/02/98/07/805029807.db2.gz CFSHTLXBQVSBTJ-LBPRGKRZSA-N 0 1 297.826 3.300 20 10 CGCDMN CC(C)(C)c1cc([O-])c(C[N@H+]2CCC[C@H]2CO)cc1Cl ZINC001248879653 805029816 /nfs/dbraw/zinc/02/98/16/805029816.db2.gz CFSHTLXBQVSBTJ-LBPRGKRZSA-N 0 1 297.826 3.300 20 10 CGCDMN C[C@H]1C[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C[C@@H]1O ZINC001248881141 805032024 /nfs/dbraw/zinc/03/20/24/805032024.db2.gz RGVABSUWLPMRGD-BONVTDFDSA-N 0 1 297.826 3.156 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C[C@@H]1O ZINC001248881141 805032036 /nfs/dbraw/zinc/03/20/36/805032036.db2.gz RGVABSUWLPMRGD-BONVTDFDSA-N 0 1 297.826 3.156 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CC(CC2CCOCC2)C1 ZINC001262113555 807827281 /nfs/dbraw/zinc/82/72/81/807827281.db2.gz RXYDNQGDFCLZEF-UHFFFAOYSA-N 0 1 295.810 3.294 20 10 CGCDMN COc1cc(C)c(C[N@@H+](C)Cc2ccsc2)c(O)c1 ZINC001181390499 810049957 /nfs/dbraw/zinc/04/99/57/810049957.db2.gz BWZMAJCDYWSLOD-UHFFFAOYSA-N 0 1 277.389 3.403 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001183371799 810147270 /nfs/dbraw/zinc/14/72/70/810147270.db2.gz TXIRLVZIMVEPQY-NEPJUHHUSA-N 0 1 283.824 3.231 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001183371799 810147274 /nfs/dbraw/zinc/14/72/74/810147274.db2.gz TXIRLVZIMVEPQY-NEPJUHHUSA-N 0 1 283.824 3.231 20 10 CGCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001184374156 810196452 /nfs/dbraw/zinc/19/64/52/810196452.db2.gz KOCMGPDZGBJQOM-OAHLLOKOSA-N 0 1 299.361 3.307 20 10 CGCDMN COc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c(O)c1 ZINC001203627589 812411130 /nfs/dbraw/zinc/41/11/30/812411130.db2.gz KESNGSVGVRLLMX-MRXNPFEDSA-N 0 1 298.386 3.003 20 10 CGCDMN C[C@]1(CO)CCC[N@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC001203651829 812415423 /nfs/dbraw/zinc/41/54/23/812415423.db2.gz XOUGZUUUISRRJP-HNNXBMFYSA-N 0 1 283.799 3.030 20 10 CGCDMN C[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC001203651829 812415427 /nfs/dbraw/zinc/41/54/27/812415427.db2.gz XOUGZUUUISRRJP-HNNXBMFYSA-N 0 1 283.799 3.030 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])CC[C@@]1(C)O ZINC001203651775 812415541 /nfs/dbraw/zinc/41/55/41/812415541.db2.gz 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/nfs/dbraw/zinc/26/35/69/938263569.db2.gz WCBPYQJRVZMPOY-NSHDSACASA-N 0 1 268.316 3.384 20 10 CGCDMN C[N@H+](Cc1cc(F)c(F)cc1[O-])C[C@H]1CC=CCC1 ZINC001560705711 938271295 /nfs/dbraw/zinc/27/12/95/938271295.db2.gz PPWZHYUZTIANGS-NSHDSACASA-N 0 1 267.319 3.459 20 10 CGCDMN COc1ccc(F)c(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC001560912838 938283535 /nfs/dbraw/zinc/28/35/35/938283535.db2.gz DSSHFEMYDTZCOA-UHFFFAOYSA-N 0 1 295.741 3.483 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@H]1C(=O)[O-] ZINC001603462022 973310727 /nfs/dbraw/zinc/31/07/27/973310727.db2.gz XCLOWIKCIKMXDR-IUODEOHRSA-N 0 1 299.370 3.088 20 10 CGCDMN CC1([NH2+]Cc2cc(Br)ccc2[O-])CCC1 ZINC000126161647 260346123 /nfs/dbraw/zinc/34/61/23/260346123.db2.gz AFKQNVRTYCZCCC-UHFFFAOYSA-N 0 1 270.170 3.187 20 10 CGCDMN CSC[C@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000135471530 371430886 /nfs/dbraw/zinc/43/08/86/371430886.db2.gz SODSWDHEKVXGFR-CYBMUJFWSA-N 0 1 297.395 3.061 20 10 CGCDMN CSC[C@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000135471530 371430888 /nfs/dbraw/zinc/43/08/88/371430888.db2.gz SODSWDHEKVXGFR-CYBMUJFWSA-N 0 1 297.395 3.061 20 10 CGCDMN CCn1ccnc1CN[C@@H](C)c1cc(Cl)ccc1O ZINC000296641017 373203761 /nfs/dbraw/zinc/20/37/61/373203761.db2.gz YCIKMQTZNPGDFF-JTQLQIEISA-N 0 1 279.771 3.113 20 10 CGCDMN Cc1cc(Br)cc(C[N@H+](C)C2CC2)c1O ZINC000179690719 373905610 /nfs/dbraw/zinc/90/56/10/373905610.db2.gz QMIHHWMEMYUKQI-UHFFFAOYSA-N 0 1 270.170 3.057 20 10 CGCDMN Cc1ncc(C[N@H+](C)Cc2cccc(Cl)c2[O-])s1 ZINC000179790593 373918041 /nfs/dbraw/zinc/91/80/41/373918041.db2.gz JNDJIIATHVEQJC-UHFFFAOYSA-N 0 1 282.796 3.443 20 10 CGCDMN Cc1cc(CN[C@H](C)c2cc(Cl)ccc2O)on1 ZINC000185357075 374646481 /nfs/dbraw/zinc/64/64/81/374646481.db2.gz NLDCTERQNZWJCS-SECBINFHSA-N 0 1 266.728 3.193 20 10 CGCDMN Cc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])on1 ZINC000185357075 374646491 /nfs/dbraw/zinc/64/64/91/374646491.db2.gz NLDCTERQNZWJCS-SECBINFHSA-N 0 1 266.728 3.193 20 10 CGCDMN CC[C@]1(CO)CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000190226933 375486038 /nfs/dbraw/zinc/48/60/38/375486038.db2.gz AUJVKHGENAEKRV-HNNXBMFYSA-N 0 1 283.799 3.030 20 10 CGCDMN Cc1[nH]ncc1CN(C)c1ccc(OC(C)C)cc1 ZINC000192036857 375692273 /nfs/dbraw/zinc/69/22/73/375692273.db2.gz VBDZCFORYGUVKP-UHFFFAOYSA-N 0 1 259.353 3.142 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271361001 378489425 /nfs/dbraw/zinc/48/94/25/378489425.db2.gz NFYXPLLMCGDSOJ-OIISXLGYSA-N 0 1 289.419 3.418 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271361001 378489428 /nfs/dbraw/zinc/48/94/28/378489428.db2.gz NFYXPLLMCGDSOJ-OIISXLGYSA-N 0 1 289.419 3.418 20 10 CGCDMN CC1(C)[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@@H]2CCCO[C@@H]21 ZINC000371798653 379177024 /nfs/dbraw/zinc/17/70/24/379177024.db2.gz CNYMNTFQZKTWLM-CFVMTHIKSA-N 0 1 295.810 3.339 20 10 CGCDMN Cc1cc(Cl)nc(CNCc2ccc(N(C)C)cc2)c1 ZINC000282043898 379850893 /nfs/dbraw/zinc/85/08/93/379850893.db2.gz OYJNKZVBLQBDHZ-UHFFFAOYSA-N 0 1 289.810 3.399 20 10 CGCDMN Cc1ccc(O)c(CN2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768563 392239381 /nfs/dbraw/zinc/23/93/81/392239381.db2.gz MJCDMHCWNNPUDU-MRXNPFEDSA-N 0 1 289.400 3.336 20 10 CGCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCCO1 ZINC000132951776 392462316 /nfs/dbraw/zinc/46/23/16/392462316.db2.gz QNYMPHAQWHPVLG-LLVKDONJSA-N 0 1 290.190 3.310 20 10 CGCDMN C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000185512776 262058142 /nfs/dbraw/zinc/05/81/42/262058142.db2.gz IDMIATRUMMIRGS-LKFCYVNXSA-N 0 1 297.807 3.491 20 10 CGCDMN C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C[C@H](C)O ZINC000185520980 262058939 /nfs/dbraw/zinc/05/89/39/262058939.db2.gz FRQQFKSRFPOQJT-VWYCJHECSA-N 0 1 271.788 3.103 20 10 CGCDMN CCOCCC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000186155682 262081766 /nfs/dbraw/zinc/08/17/66/262081766.db2.gz KRNIFDQHPLQVTP-GFCCVEGCSA-N 0 1 281.371 3.389 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc2ccccc2c1[O-] ZINC000185142127 262302927 /nfs/dbraw/zinc/30/29/27/262302927.db2.gz XTIAGWVGASWRGY-DZGCQCFKSA-N 0 1 284.403 3.290 20 10 CGCDMN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000289756043 263111843 /nfs/dbraw/zinc/11/18/43/263111843.db2.gz QWBQZHVEABDHLM-OCCSQVGLSA-N 0 1 281.371 3.047 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(C)(C)O ZINC000294929057 288080163 /nfs/dbraw/zinc/08/01/63/288080163.db2.gz HHZXSBLQHZNNHI-RNCFNFMXSA-N 0 1 271.788 3.246 20 10 CGCDMN CC[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])OC ZINC000290049180 328257765 /nfs/dbraw/zinc/25/77/65/328257765.db2.gz DYVFPRINMWVZSY-MWLCHTKSSA-N 0 1 257.761 3.121 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(F)ccc1[O-] ZINC000185774243 329331643 /nfs/dbraw/zinc/33/16/43/329331643.db2.gz ZMASTTXXAVUUTP-UOJODKQESA-N 0 1 279.355 3.140 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCC2(CC2)C1 ZINC000186614230 329346364 /nfs/dbraw/zinc/34/63/64/329346364.db2.gz PSSWSEAQZBNYBI-UHFFFAOYSA-N 0 1 251.757 3.422 20 10 CGCDMN CN(C)c1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1F ZINC000292739809 522184067 /nfs/dbraw/zinc/18/40/67/522184067.db2.gz HGUAKTTUQJRVTJ-LSDHHAIUSA-N 0 1 298.352 3.369 20 10 CGCDMN COC1CCC(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000749923685 573059463 /nfs/dbraw/zinc/05/94/63/573059463.db2.gz XVIDVFXXKYVBAV-UHFFFAOYSA-N 0 1 283.799 3.340 20 10 CGCDMN COCC[N@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000726962233 571688631 /nfs/dbraw/zinc/68/86/31/571688631.db2.gz SVHRFECBMFNVTL-UHFFFAOYSA-N 0 1 285.343 3.370 20 10 CGCDMN COCC[N@@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000726962233 571688634 /nfs/dbraw/zinc/68/86/34/571688634.db2.gz SVHRFECBMFNVTL-UHFFFAOYSA-N 0 1 285.343 3.370 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1C(C)C ZINC000738463860 571774514 /nfs/dbraw/zinc/77/45/14/571774514.db2.gz QMRXEOYYUCFFBB-CYBMUJFWSA-N 0 1 291.391 3.121 20 10 CGCDMN CC(C)NC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806598761 617824703 /nfs/dbraw/zinc/82/47/03/617824703.db2.gz LQAQREMFKBYPBI-UHFFFAOYSA-N 0 1 293.219 3.072 20 10 CGCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1cn2c(n1)CCCC2 ZINC000924574429 618856551 /nfs/dbraw/zinc/85/65/51/618856551.db2.gz NPUPYALPBQQDQE-AWEZNQCLSA-N 0 1 298.434 3.136 20 10 CGCDMN CCN(CC)c1ccc(CNCc2ccc(OC)cn2)cc1 ZINC000892614355 618874637 /nfs/dbraw/zinc/87/46/37/618874637.db2.gz HDEQMULIROLWCT-UHFFFAOYSA-N 0 1 299.418 3.226 20 10 CGCDMN CC1(C)CC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000309454590 618897931 /nfs/dbraw/zinc/89/79/31/618897931.db2.gz RXZABBKQJSIZGF-GFCCVEGCSA-N 0 1 284.197 3.433 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000310019656 619071365 /nfs/dbraw/zinc/07/13/65/619071365.db2.gz MOLAVSGPVHEFKI-PJXYFTJBSA-N 0 1 282.181 3.043 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000840907446 619113496 /nfs/dbraw/zinc/11/34/96/619113496.db2.gz FAPSZDVTYCNQSY-QWRGUYRKSA-N 0 1 283.799 3.400 20 10 CGCDMN COCCC1(C)C[NH+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840952540 619255746 /nfs/dbraw/zinc/25/57/46/619255746.db2.gz DPUZUJMRBBMXRP-UHFFFAOYSA-N 0 1 283.799 3.212 20 10 CGCDMN CCN(CC)c1ccc(CN(C)Cc2ocnc2C)cc1 ZINC000893911220 619331598 /nfs/dbraw/zinc/33/15/98/619331598.db2.gz SNTXQORGIATACJ-UHFFFAOYSA-N 0 1 287.407 3.461 20 10 CGCDMN Oc1c(F)cc(F)cc1CN1CCOc2ccccc2C1 ZINC000893968899 619342260 /nfs/dbraw/zinc/34/22/60/619342260.db2.gz NRAZIJAILDYAQY-UHFFFAOYSA-N 0 1 291.297 3.065 20 10 CGCDMN C[C@H]([NH2+]CCc1ccn(C)n1)c1ccc2ccccc2c1[O-] ZINC000319760108 619465710 /nfs/dbraw/zinc/46/57/10/619465710.db2.gz QBBGRBAZWHLDOM-ZDUSSCGKSA-N 0 1 295.386 3.172 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000894654546 619596143 /nfs/dbraw/zinc/59/61/43/619596143.db2.gz WZUKVNPGBFOWSS-NSHDSACASA-N 0 1 290.313 3.055 20 10 CGCDMN Oc1c(F)cc(F)cc1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000894740027 619619195 /nfs/dbraw/zinc/61/91/95/619619195.db2.gz DRPHPTTVJBESOK-CQSZACIVSA-N 0 1 293.317 3.121 20 10 CGCDMN C[C@]12CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C[C@H]1C2(F)F ZINC000894829313 619645659 /nfs/dbraw/zinc/64/56/59/619645659.db2.gz QJCCTJWQXOZMSI-YPMHNXCESA-N 0 1 289.272 3.148 20 10 CGCDMN C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Cl)ccc1[O-] ZINC000185460020 625361774 /nfs/dbraw/zinc/36/17/74/625361774.db2.gz USEFJRMALNBPFT-PFEFGLNJSA-N 0 1 267.756 3.016 20 10 CGCDMN CCC[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000097989736 619999506 /nfs/dbraw/zinc/99/95/06/619999506.db2.gz PCGZYPYJGSXMFW-UHFFFAOYSA-N 0 1 272.186 3.387 20 10 CGCDMN CCC[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000097989736 619999511 /nfs/dbraw/zinc/99/95/11/619999511.db2.gz PCGZYPYJGSXMFW-UHFFFAOYSA-N 0 1 272.186 3.387 20 10 CGCDMN COc1ccc(CN[C@@H](C)c2c(C)noc2C)cc1C ZINC000073007529 625407082 /nfs/dbraw/zinc/40/70/82/625407082.db2.gz XCROHWFFRDHTJP-NSHDSACASA-N 0 1 274.364 3.459 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000898111696 620479357 /nfs/dbraw/zinc/47/93/57/620479357.db2.gz FWCZHSGRZITQCT-AWEZNQCLSA-N 0 1 281.783 3.237 20 10 CGCDMN C[C@]12CSC[C@H]1C[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000898421398 620586158 /nfs/dbraw/zinc/58/61/58/620586158.db2.gz BGFDEMIMVGXHOS-RISCZKNCSA-N 0 1 283.824 3.231 20 10 CGCDMN C[C@]12CSC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000898421398 620586162 /nfs/dbraw/zinc/58/61/62/620586162.db2.gz BGFDEMIMVGXHOS-RISCZKNCSA-N 0 1 283.824 3.231 20 10 CGCDMN C[C@@H]1CCC[C@@](CNCc2cc(F)ccc2O)([NH+](C)C)C1 ZINC000226585981 622986968 /nfs/dbraw/zinc/98/69/68/622986968.db2.gz HDXUCGZDJZCTBM-CXAGYDPISA-N 0 1 294.414 3.131 20 10 CGCDMN C[C@H](C1CC1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000158046292 622995426 /nfs/dbraw/zinc/99/54/26/622995426.db2.gz VVVYAZPLSUUIEJ-MRVPVSSYSA-N 0 1 284.743 3.184 20 10 CGCDMN COc1cc(Cl)cc(CNCc2ccc(C)o2)c1O ZINC000229051692 623095680 /nfs/dbraw/zinc/09/56/80/623095680.db2.gz IPPCYEYIEBOWDZ-UHFFFAOYSA-N 0 1 281.739 3.245 20 10 CGCDMN CS[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000230698603 623263842 /nfs/dbraw/zinc/26/38/42/623263842.db2.gz FFLGAYRLQSBMQM-NEPJUHHUSA-N 0 1 271.813 3.419 20 10 CGCDMN CCOC[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1Cl ZINC000313481712 623648244 /nfs/dbraw/zinc/64/82/44/623648244.db2.gz HTXBSBXADBDGJZ-LBPRGKRZSA-N 0 1 283.799 3.437 20 10 CGCDMN CCOC[C@@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000313481712 623648247 /nfs/dbraw/zinc/64/82/47/623648247.db2.gz HTXBSBXADBDGJZ-LBPRGKRZSA-N 0 1 283.799 3.437 20 10 CGCDMN CCOC[C@@H]1CCCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000313481712 623648250 /nfs/dbraw/zinc/64/82/50/623648250.db2.gz HTXBSBXADBDGJZ-LBPRGKRZSA-N 0 1 283.799 3.437 20 10 CGCDMN COC[C@H](NCc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921741349 625859640 /nfs/dbraw/zinc/85/96/40/625859640.db2.gz SDMCKHJLSJCRFY-SFHVURJKSA-N 0 1 297.398 3.489 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCS1 ZINC000922843336 626056111 /nfs/dbraw/zinc/05/61/11/626056111.db2.gz QASBUCHZGWTIBR-CABZTGNLSA-N 0 1 271.813 3.419 20 10 CGCDMN CN(C)c1ccc(CN2CC3(C2)CCCC3)cc1F ZINC000839105948 626315135 /nfs/dbraw/zinc/31/51/35/626315135.db2.gz XHXPDOBFMPJKLM-UHFFFAOYSA-N 0 1 262.372 3.268 20 10 CGCDMN C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756732570 626728410 /nfs/dbraw/zinc/72/84/10/626728410.db2.gz JEIUAVGPUUMJQU-NTZNESFSSA-N 0 1 295.398 3.466 20 10 CGCDMN Cc1ccc(O)c([C@@H](C)NCc2ncccc2F)c1 ZINC000756770381 626730552 /nfs/dbraw/zinc/73/05/52/626730552.db2.gz UXBZDVNFTSCGIF-LLVKDONJSA-N 0 1 260.312 3.086 20 10 CGCDMN C[C@@H](NCc1ncccc1F)c1cc(Cl)ccc1O ZINC000756768801 626730790 /nfs/dbraw/zinc/73/07/90/626730790.db2.gz MRXNNUYXVFTISH-SECBINFHSA-N 0 1 280.730 3.431 20 10 CGCDMN COc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)c(F)c1 ZINC000758485750 626845923 /nfs/dbraw/zinc/84/59/23/626845923.db2.gz DDLRKYCITZTTRJ-UHFFFAOYSA-N 0 1 295.741 3.483 20 10 CGCDMN COc1ccc(CNCc2c(O)cccc2Cl)c(F)c1 ZINC000758485750 626845924 /nfs/dbraw/zinc/84/59/24/626845924.db2.gz DDLRKYCITZTTRJ-UHFFFAOYSA-N 0 1 295.741 3.483 20 10 CGCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1cncc(F)c1 ZINC000765607359 627262356 /nfs/dbraw/zinc/26/23/56/627262356.db2.gz CAEHCYSRACOODV-NSHDSACASA-N 0 1 272.323 3.006 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000767927348 627443941 /nfs/dbraw/zinc/44/39/41/627443941.db2.gz KFMMRDDPDOREAK-CYBMUJFWSA-N 0 1 281.783 3.237 20 10 CGCDMN CC(C)CC[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768261618 627471949 /nfs/dbraw/zinc/47/19/49/627471949.db2.gz FLWDZSMRRFSLJC-UHFFFAOYSA-N 0 1 286.759 3.432 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000769485676 627559370 /nfs/dbraw/zinc/55/93/70/627559370.db2.gz NNDNXRAEMNCQEU-MRXNPFEDSA-N 0 1 295.810 3.438 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000769485676 627559372 /nfs/dbraw/zinc/55/93/72/627559372.db2.gz NNDNXRAEMNCQEU-MRXNPFEDSA-N 0 1 295.810 3.438 20 10 CGCDMN CCN(C)c1ccc(CN[C@H](CO)c2ccsc2)cc1 ZINC000773862030 627921174 /nfs/dbraw/zinc/92/11/74/627921174.db2.gz YAJYIZSODWDZDW-MRXNPFEDSA-N 0 1 290.432 3.027 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000775487716 628099271 /nfs/dbraw/zinc/09/92/71/628099271.db2.gz NXYWTQDVMPNUHZ-GXTWGEPZSA-N 0 1 295.766 3.413 20 10 CGCDMN COc1ccc(O)c(CN(Cc2ccc(C)o2)C2CC2)c1 ZINC000775649220 628119214 /nfs/dbraw/zinc/11/92/14/628119214.db2.gz MUCBMHAFLFWTKJ-UHFFFAOYSA-N 0 1 287.359 3.467 20 10 CGCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC1CCOCC1 ZINC000775687815 628125829 /nfs/dbraw/zinc/12/58/29/628125829.db2.gz IPUFOFMWCGQCEZ-UHFFFAOYSA-N 0 1 287.762 3.043 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H](C)C1 ZINC000779002048 628382850 /nfs/dbraw/zinc/38/28/50/628382850.db2.gz JQILVDSTYLZBBT-CABCVRRESA-N 0 1 277.408 3.419 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H](C)C1 ZINC000779002048 628382851 /nfs/dbraw/zinc/38/28/51/628382851.db2.gz JQILVDSTYLZBBT-CABCVRRESA-N 0 1 277.408 3.419 20 10 CGCDMN COc1c([O-])c(C[N@@H+](C)C2(C)CCCC2)ccc1[N+](=O)[O-] ZINC000787337699 629009128 /nfs/dbraw/zinc/00/91/28/629009128.db2.gz PHKKCURJKRTQOX-UHFFFAOYSA-N 0 1 294.351 3.074 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC2(C)C)c1[O-] ZINC000788465216 629055611 /nfs/dbraw/zinc/05/56/11/629055611.db2.gz RVQDDPRIHBCSSX-AWEZNQCLSA-N 0 1 279.355 3.402 20 10 CGCDMN C[C@@H]([NH2+]CCOC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000788981530 629093180 /nfs/dbraw/zinc/09/31/80/629093180.db2.gz RNVKQJLBGYWZGS-SSDOTTSWSA-N 0 1 283.677 3.233 20 10 CGCDMN C[C@H]1CCSCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000790482304 629213190 /nfs/dbraw/zinc/21/31/90/629213190.db2.gz VZFNQVLQAQFBSU-LBPRGKRZSA-N 0 1 288.416 3.268 20 10 CGCDMN C[C@H]1CCSCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000790482304 629213192 /nfs/dbraw/zinc/21/31/92/629213192.db2.gz VZFNQVLQAQFBSU-LBPRGKRZSA-N 0 1 288.416 3.268 20 10 CGCDMN Cc1nc(CNCc2c(O)ccc(Cl)c2F)cs1 ZINC000790948855 629242307 /nfs/dbraw/zinc/24/23/07/629242307.db2.gz MUAIDKBMXREHPC-UHFFFAOYSA-N 0 1 286.759 3.239 20 10 CGCDMN CO[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC[C@H]1C ZINC000792180382 629345472 /nfs/dbraw/zinc/34/54/72/629345472.db2.gz QZTPCWAXEPSXOM-NOZJJQNGSA-N 0 1 287.762 3.042 20 10 CGCDMN CCn1ccc(CN(C)Cc2c(O)cccc2Cl)c1 ZINC000792182990 629345930 /nfs/dbraw/zinc/34/59/30/629345930.db2.gz LPAMHGVSXNSGHY-UHFFFAOYSA-N 0 1 278.783 3.499 20 10 CGCDMN CN(C)c1cc(F)c(CN2CC[C@@H]2C2CC2)cc1F ZINC000862385003 629358253 /nfs/dbraw/zinc/35/82/53/629358253.db2.gz NMMGQHVYFVLXHA-CQSZACIVSA-N 0 1 266.335 3.015 20 10 CGCDMN COc1cc(Cl)cc(CN2[C@@H](C)C[C@@H]2C)c1O ZINC000793220848 629430516 /nfs/dbraw/zinc/43/05/16/629430516.db2.gz RXLIPOTWBULHCX-IUCAKERBSA-N 0 1 255.745 3.037 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000793607866 629490430 /nfs/dbraw/zinc/49/04/30/629490430.db2.gz DLYCRFMGMJFKFV-KGLIPLIRSA-N 0 1 299.773 3.328 20 10 CGCDMN Cc1noc([C@H]2CCCN2Cc2cc(C)cc(C)c2O)n1 ZINC000795749532 629713091 /nfs/dbraw/zinc/71/30/91/629713091.db2.gz JENXQLNLMJFGSQ-CQSZACIVSA-N 0 1 287.363 3.038 20 10 CGCDMN CN(C)c1cc(F)cc(NCc2ccc(F)c(F)c2O)c1 ZINC000864016869 629727143 /nfs/dbraw/zinc/72/71/43/629727143.db2.gz WUCMZSFQYDXMGS-UHFFFAOYSA-N 0 1 296.292 3.488 20 10 CGCDMN Oc1c(CNc2cccc3c2OCO3)ccc(F)c1F ZINC000864034138 629733164 /nfs/dbraw/zinc/73/31/64/629733164.db2.gz WSMZQRYLBWFRSA-UHFFFAOYSA-N 0 1 279.242 3.011 20 10 CGCDMN CC1=C[C@@H](C)C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000797605251 629970414 /nfs/dbraw/zinc/97/04/14/629970414.db2.gz OHXCKYPGCFDORV-SECBINFHSA-N 0 1 296.754 3.352 20 10 CGCDMN CC[C@H]([NH2+][C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227976 630856585 /nfs/dbraw/zinc/85/65/85/630856585.db2.gz OILGDBNMMWRMFF-JQWIXIFHSA-N 0 1 289.297 3.241 20 10 CGCDMN CC[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227978 630856692 /nfs/dbraw/zinc/85/66/92/630856692.db2.gz OILGDBNMMWRMFF-ZYHUDNBSSA-N 0 1 289.297 3.241 20 10 CGCDMN CC1=CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816513697 632000564 /nfs/dbraw/zinc/00/05/64/632000564.db2.gz ZFIBSBZMZMWBJO-UHFFFAOYSA-N 0 1 255.720 3.337 20 10 CGCDMN [O-]c1c(C[NH2+]Cc2ccoc2)ccc2ccccc21 ZINC000816537560 632006034 /nfs/dbraw/zinc/00/60/34/632006034.db2.gz JBAUAGYDYIDXEZ-UHFFFAOYSA-N 0 1 253.301 3.428 20 10 CGCDMN CC[C@@H](O)CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552320 632010650 /nfs/dbraw/zinc/01/06/50/632010650.db2.gz IPXSQVDZHODDFN-OAHLLOKOSA-N 0 1 273.376 3.186 20 10 CGCDMN CC(C)[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816564699 632013327 /nfs/dbraw/zinc/01/33/27/632013327.db2.gz NDTGDEXZURPTRH-AWEZNQCLSA-N 0 1 287.762 3.042 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](C)[C@H]2C)c1 ZINC000816648982 632034358 /nfs/dbraw/zinc/03/43/58/632034358.db2.gz RNQMJYYPQGHZLE-VHSXEESVSA-N 0 1 284.197 3.303 20 10 CGCDMN C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000817954786 632250257 /nfs/dbraw/zinc/25/02/57/632250257.db2.gz JJSICBXKKRHAHJ-XHDPSFHLSA-N 0 1 290.794 3.396 20 10 CGCDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc2ccccc2c1O ZINC000824636968 633266250 /nfs/dbraw/zinc/26/62/50/633266250.db2.gz VUTIRVJUMARUGD-DOTOQJQBSA-N 0 1 285.387 3.138 20 10 CGCDMN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000824636968 633266254 /nfs/dbraw/zinc/26/62/54/633266254.db2.gz VUTIRVJUMARUGD-DOTOQJQBSA-N 0 1 285.387 3.138 20 10 CGCDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000824636968 633266260 /nfs/dbraw/zinc/26/62/60/633266260.db2.gz VUTIRVJUMARUGD-DOTOQJQBSA-N 0 1 285.387 3.138 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)C[C@H](C)O)cc1Cl ZINC000825297292 633343346 /nfs/dbraw/zinc/34/33/46/633343346.db2.gz ABQZLNBHSCRUSR-NSHDSACASA-N 0 1 285.815 3.241 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCOCC2)cc1Cl ZINC000825405507 633353120 /nfs/dbraw/zinc/35/31/20/633353120.db2.gz HUFHSSRKEGCLOY-LBPRGKRZSA-N 0 1 269.772 3.013 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1Cl ZINC000825568539 633365542 /nfs/dbraw/zinc/36/55/42/633365542.db2.gz ZOVVYSQHDOBMTP-LBPRGKRZSA-N 0 1 283.799 3.401 20 10 CGCDMN CO[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2[O-])CC[C@@H]1C ZINC000825633561 633368611 /nfs/dbraw/zinc/36/86/11/633368611.db2.gz AXUJUFLAMHZIJV-BONVTDFDSA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2[O-])CC[C@@H]1C ZINC000825633561 633368614 /nfs/dbraw/zinc/36/86/14/633368614.db2.gz AXUJUFLAMHZIJV-BONVTDFDSA-N 0 1 283.799 3.211 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCSC2)cc1Cl ZINC000825731622 633378526 /nfs/dbraw/zinc/37/85/26/633378526.db2.gz JNTXUUGRNYZDMN-SNVBAGLBSA-N 0 1 271.813 3.197 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1Cl ZINC000825928347 633389005 /nfs/dbraw/zinc/38/90/05/633389005.db2.gz RVTDDBUASRGCGU-INIZCTEOSA-N 0 1 297.826 3.481 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]2(C)CCCO)cc1Cl ZINC000825928347 633389010 /nfs/dbraw/zinc/38/90/10/633389010.db2.gz RVTDDBUASRGCGU-INIZCTEOSA-N 0 1 297.826 3.481 20 10 CGCDMN COc1cc(CN2CC(C(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000826114082 633406117 /nfs/dbraw/zinc/40/61/17/633406117.db2.gz UMLVYEKUDXCCCU-UHFFFAOYSA-N 0 1 299.361 3.395 20 10 CGCDMN C[C@]1(C2CC2)CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000826878142 633440129 /nfs/dbraw/zinc/44/01/29/633440129.db2.gz UUYNQNYHUJXKKI-OAHLLOKOSA-N 0 1 299.773 3.186 20 10 CGCDMN CCN(C)c1ccc(CN(C)Cc2ccccn2)cc1 ZINC000831039112 633912511 /nfs/dbraw/zinc/91/25/11/633912511.db2.gz VBXAVXQYEMHCKB-UHFFFAOYSA-N 0 1 269.392 3.170 20 10 CGCDMN CCCOc1ccc(CNCc2cc(C)n[nH]2)cc1C ZINC000873057157 634238437 /nfs/dbraw/zinc/23/84/37/634238437.db2.gz OJMNYTIYMJQKST-UHFFFAOYSA-N 0 1 273.380 3.105 20 10 CGCDMN C[C@H](CCCO)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834870124 634260193 /nfs/dbraw/zinc/26/01/93/634260193.db2.gz GHNOVHBQUPGXPC-NTZNESFSSA-N 0 1 281.371 3.078 20 10 CGCDMN CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000834887290 634267591 /nfs/dbraw/zinc/26/75/91/634267591.db2.gz ROXUTHNFWJHAHK-GAJTVXKRSA-N 0 1 269.772 3.264 20 10 CGCDMN CC[C@H]([NH2+]CCC1(CO)CC1)c1cc(Cl)ccc1[O-] ZINC000834897902 634274123 /nfs/dbraw/zinc/27/41/23/634274123.db2.gz WZXSSZJTVZHRPU-ZDUSSCGKSA-N 0 1 283.799 3.249 20 10 CGCDMN COCC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCCC1 ZINC000834906707 634282250 /nfs/dbraw/zinc/28/22/50/634282250.db2.gz SNYVXQKQKIZAGU-GFCCVEGCSA-N 0 1 281.371 3.389 20 10 CGCDMN Cc1noc(C)c1CNC/C=C/c1ccc(N(C)C)cc1 ZINC000835034932 634327419 /nfs/dbraw/zinc/32/74/19/634327419.db2.gz CDSCUPYKGGPKPM-AATRIKPKSA-N 0 1 285.391 3.160 20 10 CGCDMN CC[C@@H](NCc1ccc(C)cc1O)c1nccs1 ZINC000877053087 634964405 /nfs/dbraw/zinc/96/44/05/634964405.db2.gz CFCLFYZICLSKNZ-GFCCVEGCSA-N 0 1 262.378 3.398 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)c2ccccc2)c(Cl)c1 ZINC000840875750 635071519 /nfs/dbraw/zinc/07/15/19/635071519.db2.gz GWERJCNDAGUHMO-INIZCTEOSA-N 0 1 291.778 3.177 20 10 CGCDMN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840898606 635078371 /nfs/dbraw/zinc/07/83/71/635078371.db2.gz YWUHKVKAPFZKEO-IAQYHMDHSA-N 0 1 285.815 3.241 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c(Cl)c1 ZINC000840919356 635083330 /nfs/dbraw/zinc/08/33/30/635083330.db2.gz CSBIPMAQIZSZBI-WFASDCNBSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c(Cl)c1 ZINC000840919356 635083333 /nfs/dbraw/zinc/08/33/33/635083333.db2.gz CSBIPMAQIZSZBI-WFASDCNBSA-N 0 1 295.810 3.355 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)ccc(F)c1F ZINC000877603370 635107855 /nfs/dbraw/zinc/10/78/55/635107855.db2.gz LOZXKBQGUBNXSA-JSGCOSHPSA-N 0 1 297.345 3.061 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1Cl ZINC000877682374 635144330 /nfs/dbraw/zinc/14/43/30/635144330.db2.gz NHCNEQKXSPLUAB-OUJBWJOFSA-N 0 1 269.772 3.010 20 10 CGCDMN COC1(C[N@H+]2Cc3cccc(O)c3C2)CCCCC1 ZINC000877702610 635154214 /nfs/dbraw/zinc/15/42/14/635154214.db2.gz DQELAEJZZAGKMT-UHFFFAOYSA-N 0 1 261.365 3.057 20 10 CGCDMN CC(C)N(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747630 635224055 /nfs/dbraw/zinc/22/40/55/635224055.db2.gz RTWWSKGMWZXERK-LLVKDONJSA-N 0 1 270.804 3.036 20 10 CGCDMN C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841750799 635225343 /nfs/dbraw/zinc/22/53/43/635225343.db2.gz JDRJKWAZTBVHQG-CPCISQLKSA-N 0 1 297.704 3.010 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(Cl)cc1[O-] ZINC000841751019 635225711 /nfs/dbraw/zinc/22/57/11/635225711.db2.gz FAZAZCDIJFBVDI-RNCFNFMXSA-N 0 1 297.807 3.491 20 10 CGCDMN C[C@@H]([NH2+]CCOCC1CC1)c1ccc(Cl)cc1[O-] ZINC000841757861 635231132 /nfs/dbraw/zinc/23/11/32/635231132.db2.gz GDGVKOMIVQUEFK-SNVBAGLBSA-N 0 1 269.772 3.123 20 10 CGCDMN CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000842920756 635512186 /nfs/dbraw/zinc/51/21/86/635512186.db2.gz ZYDGGTVOVXQKRR-DMDPSCGWSA-N 0 1 285.815 3.493 20 10 CGCDMN COc1cccc([C@H](C)NCc2ccn(C(C)C)n2)c1O ZINC000846146982 636149908 /nfs/dbraw/zinc/14/99/08/636149908.db2.gz TZWBLKVUPOVRLZ-LBPRGKRZSA-N 0 1 289.379 3.029 20 10 CGCDMN CCN(C)c1ccc(C[N@@H+](C)[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000846275551 636170722 /nfs/dbraw/zinc/17/07/22/636170722.db2.gz UCUYADYIFWMFKS-MRXNPFEDSA-N 0 1 292.423 3.074 20 10 CGCDMN C[N@H+](CCC(=O)OC(C)(C)C)Cc1c([O-])cccc1Cl ZINC000131260344 636600466 /nfs/dbraw/zinc/60/04/66/636600466.db2.gz LXSUIQTXJSKAER-UHFFFAOYSA-N 0 1 299.798 3.209 20 10 CGCDMN C[N@@H+](CCC(=O)OC(C)(C)C)Cc1c([O-])cccc1Cl ZINC000131260344 636600469 /nfs/dbraw/zinc/60/04/69/636600469.db2.gz LXSUIQTXJSKAER-UHFFFAOYSA-N 0 1 299.798 3.209 20 10 CGCDMN CCc1cccc(CN[C@@H](C)c2nccn2CC)c1O ZINC000848914308 636688458 /nfs/dbraw/zinc/68/84/58/636688458.db2.gz GPNIDSQJQDCUCG-LBPRGKRZSA-N 0 1 273.380 3.022 20 10 CGCDMN CCCN(CCC)c1ccc(C[N@@H+](C)CCC(=O)[O-])cc1 ZINC000108245118 636746443 /nfs/dbraw/zinc/74/64/43/636746443.db2.gz NNAHHDQNHSBXHN-UHFFFAOYSA-N 0 1 292.423 3.220 20 10 CGCDMN CCc1nc([C@H](C)Sc2ncc(Cl)s2)n[nH]1 ZINC000850001885 636926269 /nfs/dbraw/zinc/92/62/69/636926269.db2.gz NWXMBYCWWJNTPP-YFKPBYRVSA-N 0 1 274.802 3.330 20 10 CGCDMN COc1ccc(CNCc2c(C3CCC3)cnn2C)cc1C ZINC000850113873 636960723 /nfs/dbraw/zinc/96/07/23/636960723.db2.gz YMPUWEMQXXJAEI-UHFFFAOYSA-N 0 1 299.418 3.294 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2COC(C)(C)C2)c(Cl)c1 ZINC000850342392 637020320 /nfs/dbraw/zinc/02/03/20/637020320.db2.gz RBQLGNJBFCLJIP-SNVBAGLBSA-N 0 1 269.772 3.011 20 10 CGCDMN C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000850520421 637099911 /nfs/dbraw/zinc/09/99/11/637099911.db2.gz BEAFWBIOAPBZHY-QPUJVOFHSA-N 0 1 291.725 3.120 20 10 CGCDMN Cc1cc(CN2CCO[C@](C)(C3CC3)C2)ccc1N(C)C ZINC000852324132 637634992 /nfs/dbraw/zinc/63/49/92/637634992.db2.gz HKKPMNSMUSFMEU-SFHVURJKSA-N 0 1 288.435 3.062 20 10 CGCDMN Cc1cc(O)c(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1C ZINC000853629837 637876433 /nfs/dbraw/zinc/87/64/33/637876433.db2.gz LSOCYTTUQIJMBQ-WBMJQRKESA-N 0 1 299.361 3.254 20 10 CGCDMN Cc1noc(C)c1[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000113957480 638307008 /nfs/dbraw/zinc/30/70/08/638307008.db2.gz YHOPEAFTRGVGDD-JTQLQIEISA-N 0 1 291.370 3.347 20 10 CGCDMN Cc1ccc(O)c([C@@H](C)NCc2cc(C3CC3)n(C)n2)c1 ZINC000927108020 638842918 /nfs/dbraw/zinc/84/29/18/638842918.db2.gz JTSBSQMCEXFZCD-GFCCVEGCSA-N 0 1 285.391 3.162 20 10 CGCDMN CCC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000048908349 640075963 /nfs/dbraw/zinc/07/59/63/640075963.db2.gz YBZITOSEPYSPAA-UHFFFAOYSA-N 0 1 279.355 3.356 20 10 CGCDMN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)OC(C)(C)C ZINC000076074243 640173432 /nfs/dbraw/zinc/17/34/32/640173432.db2.gz ZENIXDDPHVIVBK-ZDUSSCGKSA-N 0 1 293.407 3.334 20 10 CGCDMN Oc1ccc(-c2nc3ccc(N4CCCC4)cc3[nH]2)cc1O ZINC001250465095 805634111 /nfs/dbraw/zinc/63/41/11/805634111.db2.gz YBRNXMZDPLONEE-UHFFFAOYSA-N 0 1 295.342 3.241 20 10 CGCDMN c1cc(N2CCCC2)ccc1CN1CCOC2(CCC2)C1 ZINC001254019635 806331246 /nfs/dbraw/zinc/33/12/46/806331246.db2.gz WGFZUVVDIYMHJO-UHFFFAOYSA-N 0 1 286.419 3.042 20 10 CGCDMN C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc2ccccc2c1[O-] ZINC000379586382 799350856 /nfs/dbraw/zinc/35/08/56/799350856.db2.gz JIWCWWGDATUWEZ-GFCCVEGCSA-N 0 1 281.359 3.162 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CC12CCCC2 ZINC000386864362 799441409 /nfs/dbraw/zinc/44/14/09/799441409.db2.gz CNGFBHRZJUTEHA-ZDUSSCGKSA-N 0 1 251.757 3.468 20 10 CGCDMN Cc1csc([C@H](C)N[C@H]2CCc3cccc(O)c32)n1 ZINC000389192474 799460789 /nfs/dbraw/zinc/46/07/89/799460789.db2.gz ORTLNUSFXHIZPX-JQWIXIFHSA-N 0 1 274.389 3.495 20 10 CGCDMN CCN(CC)c1ccc(CNCc2conc2C)cc1 ZINC000397854257 799521692 /nfs/dbraw/zinc/52/16/92/799521692.db2.gz ALVGHYHOUAEADW-UHFFFAOYSA-N 0 1 273.380 3.119 20 10 CGCDMN Cc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)sn1 ZINC000404322128 799575837 /nfs/dbraw/zinc/57/58/37/799575837.db2.gz KADOXYPFSPTEJX-GFCCVEGCSA-N 0 1 275.421 3.368 20 10 CGCDMN C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CS1 ZINC000689641165 799767349 /nfs/dbraw/zinc/76/73/49/799767349.db2.gz JXJSWQIOGCYXLA-CABZTGNLSA-N 0 1 271.813 3.419 20 10 CGCDMN CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000690344505 799776197 /nfs/dbraw/zinc/77/61/97/799776197.db2.gz VZAGZINJNJMEPT-CYBMUJFWSA-N 0 1 282.815 3.008 20 10 CGCDMN CC[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000691734005 799786356 /nfs/dbraw/zinc/78/63/56/799786356.db2.gz LZCWWXRGJWDXFS-SECBINFHSA-N 0 1 272.186 3.385 20 10 CGCDMN CC[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000691734005 799786360 /nfs/dbraw/zinc/78/63/60/799786360.db2.gz LZCWWXRGJWDXFS-SECBINFHSA-N 0 1 272.186 3.385 20 10 CGCDMN C[C@@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])O1 ZINC000701511399 799889199 /nfs/dbraw/zinc/88/91/99/799889199.db2.gz HIOYYOAZFVJSLM-ZWNOBZJWSA-N 0 1 269.772 3.093 20 10 CGCDMN Oc1c(CNc2ccc3c(c2)CCO3)ccc(F)c1F ZINC000703379396 799923392 /nfs/dbraw/zinc/92/33/92/799923392.db2.gz KEHPLFGKXBHQFR-UHFFFAOYSA-N 0 1 277.270 3.217 20 10 CGCDMN CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703553699 799926135 /nfs/dbraw/zinc/92/61/35/799926135.db2.gz DNULNXHMBGFITG-LLVKDONJSA-N 0 1 285.334 3.060 20 10 CGCDMN CC(C)(C)[NH2+]Cc1c([O-])cccc1Br ZINC000706809993 799967998 /nfs/dbraw/zinc/96/79/98/799967998.db2.gz WXBUYNYABRHRLA-UHFFFAOYSA-N 0 1 258.159 3.043 20 10 CGCDMN CC[C@@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706809775 799967812 /nfs/dbraw/zinc/96/78/12/799967812.db2.gz MYJLASXAYBQEHX-MRVPVSSYSA-N 0 1 258.159 3.043 20 10 CGCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C1(C)CC1 ZINC000706857884 799969124 /nfs/dbraw/zinc/96/91/24/799969124.db2.gz LHMYYTRUXAVLEA-SECBINFHSA-N 0 1 284.197 3.433 20 10 CGCDMN CC(C)N(Cc1cc(F)cc(F)c1O)CC(F)F ZINC000708398005 799988557 /nfs/dbraw/zinc/98/85/57/799988557.db2.gz FGJFGSCXPLKQMD-UHFFFAOYSA-N 0 1 265.250 3.146 20 10 CGCDMN Cc1cc(O)c(Nc2ccncc2)cc1Br ZINC001173884777 808739734 /nfs/dbraw/zinc/73/97/34/808739734.db2.gz QUGILRMTAZKZOY-UHFFFAOYSA-N 0 1 279.137 3.024 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CC2(C1)CCCC2 ZINC001117814122 802502856 /nfs/dbraw/zinc/50/28/56/802502856.db2.gz VFDPLZHYIDRLHO-UHFFFAOYSA-N 0 1 251.757 3.422 20 10 CGCDMN CS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC001119508258 802674103 /nfs/dbraw/zinc/67/41/03/802674103.db2.gz YKCDYDKNKBLYKE-NEPJUHHUSA-N 0 1 287.375 3.386 20 10 CGCDMN Cc1cc(CN2CCCC23COC3)c(C)n1-c1ccccc1 ZINC001137857694 803785966 /nfs/dbraw/zinc/78/59/66/803785966.db2.gz KUKZHHBPBINBSE-UHFFFAOYSA-N 0 1 296.414 3.459 20 10 CGCDMN Cc1c(CN2CCCC(=O)[C@@H](C)C2)c2ccccc2n1C ZINC001138252963 803882021 /nfs/dbraw/zinc/88/20/21/803882021.db2.gz YGHOKTRYTPKUJZ-ZDUSSCGKSA-N 0 1 284.403 3.288 20 10 CGCDMN CCC[N@@H+](CC)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139126214 804134452 /nfs/dbraw/zinc/13/44/52/804134452.db2.gz AQCYBOXQFZNLSU-UHFFFAOYSA-N 0 1 275.348 3.039 20 10 CGCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)CC1CCC1 ZINC001139128916 804134534 /nfs/dbraw/zinc/13/45/34/804134534.db2.gz JAOJMCZIHUBQNT-UHFFFAOYSA-N 0 1 287.359 3.039 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2cccc(Cl)n2)cc1 ZINC001139552153 804205052 /nfs/dbraw/zinc/20/50/52/804205052.db2.gz HJHYTMBSYHVGBY-UHFFFAOYSA-N 0 1 289.810 3.433 20 10 CGCDMN COCC[C@@H]1CCCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139682636 804253077 /nfs/dbraw/zinc/25/30/77/804253077.db2.gz AAPRYACAJXZOGN-NSHDSACASA-N 0 1 285.334 3.061 20 10 CGCDMN C[N@H+](Cc1c(F)ccc(F)c1[O-])CC1CCCC1 ZINC001139686331 804254696 /nfs/dbraw/zinc/25/46/96/804254696.db2.gz USFBZXMWTVUIFF-UHFFFAOYSA-N 0 1 255.308 3.292 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001140463114 804441294 /nfs/dbraw/zinc/44/12/94/804441294.db2.gz SRPDOYOUKFRMAN-HNNXBMFYSA-N 0 1 281.783 3.048 20 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NYRPCUJSQYPMBF-LLVKDONJSA-N 0 1 255.308 3.435 20 10 CGCDMN Cc1ccc(O)c(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1 ZINC001140617494 804476458 /nfs/dbraw/zinc/47/64/58/804476458.db2.gz REFQFNHRXYKFIM-HUUCEWRRSA-N 0 1 273.376 3.034 20 10 CGCDMN CC(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924119 804550790 /nfs/dbraw/zinc/55/07/90/804550790.db2.gz DVVVZRVWUIEIHR-CYBMUJFWSA-N 0 1 294.826 3.207 20 10 CGCDMN CCN(Cc1c[nH]nc1C(F)(F)F)Cc1ccccc1O ZINC001141016561 804572003 /nfs/dbraw/zinc/57/20/03/804572003.db2.gz IHGFCYAPWBJVLV-UHFFFAOYSA-N 0 1 299.296 3.156 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c(OC)c1 ZINC001141032326 804574595 /nfs/dbraw/zinc/57/45/95/804574595.db2.gz YINNTILDQMRQPN-CHWSQXEVSA-N 0 1 293.407 3.277 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)[C@H](C)C2)c(OC)c1 ZINC001141032326 804574599 /nfs/dbraw/zinc/57/45/99/804574599.db2.gz YINNTILDQMRQPN-CHWSQXEVSA-N 0 1 293.407 3.277 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c(OC)c1 ZINC001141032326 804574604 /nfs/dbraw/zinc/57/46/04/804574604.db2.gz YINNTILDQMRQPN-CHWSQXEVSA-N 0 1 293.407 3.277 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001142508897 804727735 /nfs/dbraw/zinc/72/77/35/804727735.db2.gz PCMGYPUXRPSGJY-OAHLLOKOSA-N 0 1 290.313 3.403 20 10 CGCDMN CC[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142524588 804731777 /nfs/dbraw/zinc/73/17/77/804731777.db2.gz BZHUYVRVTCMLJE-NSHDSACASA-N 0 1 255.308 3.435 20 10 CGCDMN COc1ccc2c(c1)c1c(n2C)CCN([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167940767 807278344 /nfs/dbraw/zinc/27/83/44/807278344.db2.gz SFQLIYLODVJZCX-BTTYYORXSA-N 0 1 296.414 3.344 20 10 CGCDMN CC1(C)[C@@H]2C[C@H]([N@H+]3CCc4cccc(O)c4C3)C[C@@H]21 ZINC001170765250 807902519 /nfs/dbraw/zinc/90/25/19/807902519.db2.gz RITLAMPOAMIUTP-YOWGUQMCSA-N 0 1 257.377 3.185 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(CCCO)CC1 ZINC001180310221 809991280 /nfs/dbraw/zinc/99/12/80/809991280.db2.gz APBCQQPXYZBQGH-UHFFFAOYSA-N 0 1 283.799 3.030 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@H](CO)C1CCCCC1 ZINC001182073096 810092781 /nfs/dbraw/zinc/09/27/81/810092781.db2.gz XCBJLRSTGBUREG-CQSZACIVSA-N 0 1 297.826 3.324 20 10 CGCDMN COC1([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[O-])CCC1 ZINC001182399063 810108382 /nfs/dbraw/zinc/10/83/82/810108382.db2.gz XSTANCBPTPHHGC-SNVBAGLBSA-N 0 1 269.772 3.093 20 10 CGCDMN O=C(Nc1ccccc1)c1cc(O)c(O)c(Cl)c1 ZINC001193589322 810914624 /nfs/dbraw/zinc/91/46/24/810914624.db2.gz INTFCYXQJOZYMC-UHFFFAOYSA-N 0 1 263.680 3.004 20 10 CGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC2(CC2)C1 ZINC001203636374 812412541 /nfs/dbraw/zinc/41/25/41/812412541.db2.gz VRLMJYLUDDTJJO-UHFFFAOYSA-N 0 1 282.181 3.141 20 10 CGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC2(CC2)C1 ZINC001203636374 812412544 /nfs/dbraw/zinc/41/25/44/812412544.db2.gz VRLMJYLUDDTJJO-UHFFFAOYSA-N 0 1 282.181 3.141 20 10 CGCDMN C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CCC[C@@]1(C)O ZINC001203650842 812414804 /nfs/dbraw/zinc/41/48/04/812414804.db2.gz FIHJXGXSJFROIO-XHDPSFHLSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CCC[C@@]1(C)O ZINC001203650842 812414806 /nfs/dbraw/zinc/41/48/06/812414806.db2.gz FIHJXGXSJFROIO-XHDPSFHLSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1CN(Cc2ccc(O)c(O)c2)Cc2ccccc21 ZINC001203875150 812478854 /nfs/dbraw/zinc/47/88/54/812478854.db2.gz IWZLBWTUVUMZLU-LBPRGKRZSA-N 0 1 269.344 3.217 20 10 CGCDMN CCn1ccc(CNCc2ccc3ccccc3c2O)n1 ZINC001206292011 813275672 /nfs/dbraw/zinc/27/56/72/813275672.db2.gz FBSCRVKBAMGWGC-UHFFFAOYSA-N 0 1 281.359 3.052 20 10 CGCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(F)cn1 ZINC001207044398 813473492 /nfs/dbraw/zinc/47/34/92/813473492.db2.gz WBSCIMNWQDSXHL-UHFFFAOYSA-N 0 1 287.382 3.309 20 10 CGCDMN Oc1cccc2c1CN(Cc1c(O)ccc(Cl)c1F)C2 ZINC001207243915 813521307 /nfs/dbraw/zinc/52/13/07/813521307.db2.gz UGJRJEVQIJNNNZ-UHFFFAOYSA-N 0 1 293.725 3.406 20 10 CGCDMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231561379 818124201 /nfs/dbraw/zinc/12/42/01/818124201.db2.gz TUDOMDVOFCYPIT-GFCCVEGCSA-N 0 1 297.354 3.210 20 10 CGCDMN CC(C)[N@H+](C)[C@@H]1CCN(Cc2c(O)ccc3ccccc32)C1 ZINC001231589303 818129648 /nfs/dbraw/zinc/12/96/48/818129648.db2.gz GAHDBZIGJJWIKX-MRXNPFEDSA-N 0 1 298.430 3.460 20 10 CGCDMN CC(C)[N@@H+](C)[C@@H]1CCN(Cc2c(O)ccc3ccccc32)C1 ZINC001231589303 818129655 /nfs/dbraw/zinc/12/96/55/818129655.db2.gz GAHDBZIGJJWIKX-MRXNPFEDSA-N 0 1 298.430 3.460 20 10 CGCDMN CC[N@@H+](CCN1CCCC1)Cc1c(O)ccc2ccccc21 ZINC001231590170 818130063 /nfs/dbraw/zinc/13/00/63/818130063.db2.gz OIXKTGUSNDBRAJ-UHFFFAOYSA-N 0 1 298.430 3.463 20 10 CGCDMN CCN(CC[NH+]1CCCC1)Cc1c(O)ccc2ccccc21 ZINC001231590170 818130066 /nfs/dbraw/zinc/13/00/66/818130066.db2.gz OIXKTGUSNDBRAJ-UHFFFAOYSA-N 0 1 298.430 3.463 20 10 CGCDMN CC[N@@H+](Cc1c(O)ccc2ccccc21)C1CCN(C)CC1 ZINC001231588972 818130180 /nfs/dbraw/zinc/13/01/80/818130180.db2.gz TUAFNZLCCAVQIB-UHFFFAOYSA-N 0 1 298.430 3.462 20 10 CGCDMN Cc1noc([C@@H]2CCCN2Cc2c(C)cc(C)cc2O)n1 ZINC001231849119 818189158 /nfs/dbraw/zinc/18/91/58/818189158.db2.gz NFFIAUQKXCBZGN-AWEZNQCLSA-N 0 1 287.363 3.038 20 10 CGCDMN C[C@]1(O)CCCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231879530 818198845 /nfs/dbraw/zinc/19/88/45/818198845.db2.gz HDUQNBHCCZLJRF-SFHVURJKSA-N 0 1 285.387 3.282 20 10 CGCDMN C[C@]1(O)CCCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231879530 818198848 /nfs/dbraw/zinc/19/88/48/818198848.db2.gz HDUQNBHCCZLJRF-SFHVURJKSA-N 0 1 285.387 3.282 20 10 CGCDMN C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879237 818199625 /nfs/dbraw/zinc/19/96/25/818199625.db2.gz AYEWPZQJWMSPBO-ZIAGYGMSSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879237 818199629 /nfs/dbraw/zinc/19/96/29/818199629.db2.gz AYEWPZQJWMSPBO-ZIAGYGMSSA-N 0 1 285.387 3.138 20 10 CGCDMN O=C1CCN(Cc2ccc3ccccc3c2O)CC[C@H]1F ZINC001231879497 818200480 /nfs/dbraw/zinc/20/04/80/818200480.db2.gz FNYDZJFDEUPHHV-OAHLLOKOSA-N 0 1 287.334 3.048 20 10 CGCDMN [O-]c1cc(O)c(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1Cl ZINC001232259559 818296152 /nfs/dbraw/zinc/29/61/52/818296152.db2.gz LBKUJTOXPRQZSB-GHMZBOCLSA-N 0 1 281.783 3.373 20 10 CGCDMN COc1cc([O-])c(C[NH+]2CCCCCC2)cc1Cl ZINC001232266970 818296964 /nfs/dbraw/zinc/29/69/64/818296964.db2.gz UDSAEXDQGZPNCG-UHFFFAOYSA-N 0 1 269.772 3.430 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CCC[C@@H]2C)cc1Cl ZINC001232265652 818297095 /nfs/dbraw/zinc/29/70/95/818297095.db2.gz OJPJHCJUSCJPPM-VIFPVBQESA-N 0 1 255.745 3.039 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C)cc1Cl ZINC001232265652 818297101 /nfs/dbraw/zinc/29/71/01/818297101.db2.gz OJPJHCJUSCJPPM-VIFPVBQESA-N 0 1 255.745 3.039 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2C)cc1Cl ZINC001232265652 818297106 /nfs/dbraw/zinc/29/71/06/818297106.db2.gz OJPJHCJUSCJPPM-VIFPVBQESA-N 0 1 255.745 3.039 20 10 CGCDMN CC(C)[C@H]1CCC[N@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232263590 818298624 /nfs/dbraw/zinc/29/86/24/818298624.db2.gz SJCCHKHJQFXWRL-GFCCVEGCSA-N 0 1 269.772 3.372 20 10 CGCDMN CC(C)[C@H]1CCC[N@@H+]1Cc1cc(Cl)c([O-])cc1O ZINC001232263590 818298630 /nfs/dbraw/zinc/29/86/30/818298630.db2.gz SJCCHKHJQFXWRL-GFCCVEGCSA-N 0 1 269.772 3.372 20 10 CGCDMN CC(C)[C@H]1CCC[N@H+]1Cc1cc(Cl)c([O-])cc1O ZINC001232263590 818298639 /nfs/dbraw/zinc/29/86/39/818298639.db2.gz SJCCHKHJQFXWRL-GFCCVEGCSA-N 0 1 269.772 3.372 20 10 CGCDMN CCCCC1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233014417 818502972 /nfs/dbraw/zinc/50/29/72/818502972.db2.gz TZKJPOOLWDOLRB-UHFFFAOYSA-N 0 1 279.380 3.206 20 10 CGCDMN C[N@@H+](CCOc1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233334774 818583786 /nfs/dbraw/zinc/58/37/86/818583786.db2.gz SOLJSGFRBJMPCZ-UHFFFAOYSA-N 0 1 293.313 3.181 20 10 CGCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001233334753 818586088 /nfs/dbraw/zinc/58/60/88/818586088.db2.gz RZPWQZSMUXTUSN-AWEZNQCLSA-N 0 1 290.313 3.403 20 10 CGCDMN C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2O)[C@@H](C)CO1 ZINC001235682316 819139580 /nfs/dbraw/zinc/13/95/80/819139580.db2.gz WNZQPPYDVDCTIQ-QWHCGFSZSA-N 0 1 277.408 3.299 20 10 CGCDMN COc1cc([O-])c(C[N@H+](C)CC2CCC2)c(Cl)c1 ZINC001236798631 819600088 /nfs/dbraw/zinc/60/00/88/819600088.db2.gz GVBQOVALBJFJTK-UHFFFAOYSA-N 0 1 269.772 3.286 20 10 CGCDMN COc1cc([O-])c(C[N@@H+](C)CC2CCC2)c(Cl)c1 ZINC001236798631 819600091 /nfs/dbraw/zinc/60/00/91/819600091.db2.gz GVBQOVALBJFJTK-UHFFFAOYSA-N 0 1 269.772 3.286 20 10 CGCDMN COc1cc([O-])c(C[N@H+](CC2CC2)C2CC2)c(Cl)c1 ZINC001236806987 819602423 /nfs/dbraw/zinc/60/24/23/819602423.db2.gz CTWDVSQEFVFTBI-UHFFFAOYSA-N 0 1 281.783 3.429 20 10 CGCDMN COc1cc([O-])c(C[N@@H+](CC2CC2)C2CC2)c(Cl)c1 ZINC001236806987 819602426 /nfs/dbraw/zinc/60/24/26/819602426.db2.gz CTWDVSQEFVFTBI-UHFFFAOYSA-N 0 1 281.783 3.429 20 10 CGCDMN COc1cc(C)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)c(O)c1 ZINC001236811006 819604407 /nfs/dbraw/zinc/60/44/07/819604407.db2.gz MTRVNCIOSZJESW-CZUORRHYSA-N 0 1 275.392 3.474 20 10 CGCDMN CCC[NH+](CCC)Cc1c(C)cc(OC)cc1[O-] ZINC001236817789 819605591 /nfs/dbraw/zinc/60/55/91/819605591.db2.gz HOZJZVBWMUNRRV-UHFFFAOYSA-N 0 1 251.370 3.331 20 10 CGCDMN CC(C)c1ccc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c([O-])c1 ZINC001237047078 819649636 /nfs/dbraw/zinc/64/96/36/819649636.db2.gz ZTDCJHMIIFAWST-KDOFPFPSSA-N 0 1 291.435 3.499 20 10 CGCDMN CC(C)c1ccc(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)c([O-])c1 ZINC001237047078 819649641 /nfs/dbraw/zinc/64/96/41/819649641.db2.gz ZTDCJHMIIFAWST-KDOFPFPSSA-N 0 1 291.435 3.499 20 10 CGCDMN COC[C@H]1CCC[N@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237077712 819660332 /nfs/dbraw/zinc/66/03/32/819660332.db2.gz JRCBZSZHKHDZAL-SECBINFHSA-N 0 1 290.190 3.310 20 10 CGCDMN COC[C@@H]1CCC[N@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237077713 819660824 /nfs/dbraw/zinc/66/08/24/819660824.db2.gz JRCBZSZHKHDZAL-VIFPVBQESA-N 0 1 290.190 3.310 20 10 CGCDMN CN(CCC[NH+](C)C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237078567 819662346 /nfs/dbraw/zinc/66/23/46/819662346.db2.gz USNSLMLRQGPCIC-UHFFFAOYSA-N 0 1 291.222 3.083 20 10 CGCDMN C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237084821 819663999 /nfs/dbraw/zinc/66/39/99/819663999.db2.gz OAJHCQQAZIRYRA-BDAKNGLRSA-N 0 1 290.190 3.044 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001237120026 819671600 /nfs/dbraw/zinc/67/16/00/819671600.db2.gz HPQQRAJTPNHYTP-UWVGGRQHSA-N 0 1 269.747 3.417 20 10 CGCDMN C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2O)CCCO1 ZINC001237135032 819674769 /nfs/dbraw/zinc/67/47/69/819674769.db2.gz FONTZVCNFBVTHW-SNVBAGLBSA-N 0 1 289.297 3.022 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237620458 819789342 /nfs/dbraw/zinc/78/93/42/819789342.db2.gz MYEXQAKPTYVYTH-BKDNQFJXSA-N 0 1 273.710 3.117 20 10 CGCDMN CN(Cc1cc(Cl)cc(F)c1O)CC(F)(F)F ZINC001237619319 819789458 /nfs/dbraw/zinc/78/94/58/819789458.db2.gz MXVFNFXYBYFYGE-UHFFFAOYSA-N 0 1 271.641 3.179 20 10 CGCDMN CC(C)O[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237800763 819846484 /nfs/dbraw/zinc/84/64/84/819846484.db2.gz BZKFKTUKENAGMM-GFCCVEGCSA-N 0 1 287.762 3.184 20 10 CGCDMN COC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237809038 819846943 /nfs/dbraw/zinc/84/69/43/819846943.db2.gz YQHWPRCHDAFQFG-LBPRGKRZSA-N 0 1 287.762 3.186 20 10 CGCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001237808646 819848825 /nfs/dbraw/zinc/84/88/25/819848825.db2.gz VLSXEUCIYOVFLL-HNNXBMFYSA-N 0 1 299.773 3.330 20 10 CGCDMN CC(C)O[C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237945330 819887364 /nfs/dbraw/zinc/88/73/64/819887364.db2.gz YQNUQTLXRYLHHF-LLVKDONJSA-N 0 1 287.762 3.184 20 10 CGCDMN CO[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237949413 819893768 /nfs/dbraw/zinc/89/37/68/819893768.db2.gz LKKRHESCKPYSKN-LLVKDONJSA-N 0 1 287.762 3.186 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](CC(C)C)N(C)C)c(Cl)c1 ZINC001461032957 937560915 /nfs/dbraw/zinc/56/09/15/937560915.db2.gz SBKJRCSUJRZRLG-CYBMUJFWSA-N 0 1 298.858 3.420 20 10 CGCDMN CC[C@H](C)Oc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O ZINC001229192645 932113449 /nfs/dbraw/zinc/11/34/49/932113449.db2.gz RIJWSZHHSCYMIP-JTQLQIEISA-N 0 1 296.322 3.345 20 10 CGCDMN COc1ccnc(NCc2ccc(N3CCCC3)cc2)c1 ZINC001461407021 937579876 /nfs/dbraw/zinc/57/98/76/937579876.db2.gz ZNEARNULLCMWPH-UHFFFAOYSA-N 0 1 283.375 3.303 20 10 CGCDMN CSC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001461839882 937601135 /nfs/dbraw/zinc/60/11/35/937601135.db2.gz AMMJPBZUNDCYHC-LBPRGKRZSA-N 0 1 271.813 3.373 20 10 CGCDMN CSC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001461839882 937601136 /nfs/dbraw/zinc/60/11/36/937601136.db2.gz AMMJPBZUNDCYHC-LBPRGKRZSA-N 0 1 271.813 3.373 20 10 CGCDMN COC[C@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001462046427 937614651 /nfs/dbraw/zinc/61/46/51/937614651.db2.gz QRAPHGXQZMUKBC-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@H]1CCCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001462046427 937614652 /nfs/dbraw/zinc/61/46/52/937614652.db2.gz QRAPHGXQZMUKBC-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001462046427 937614653 /nfs/dbraw/zinc/61/46/53/937614653.db2.gz QRAPHGXQZMUKBC-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN CC1(C)CCCN1CC[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001462339913 937633804 /nfs/dbraw/zinc/63/38/04/937633804.db2.gz ZUUNTFAXNHLUAK-UHFFFAOYSA-N 0 1 282.815 3.010 20 10 CGCDMN CN(C)c1ccc(CNc2ccc3c(n2)CCC3)cc1F ZINC001308408958 933106591 /nfs/dbraw/zinc/10/65/91/933106591.db2.gz YFZWVFYKJMSBOG-UHFFFAOYSA-N 0 1 285.366 3.388 20 10 CGCDMN Cc1ncsc1C[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001308619642 933143365 /nfs/dbraw/zinc/14/33/65/933143365.db2.gz NMZXCKDEPZOQEF-UHFFFAOYSA-N 0 1 282.796 3.443 20 10 CGCDMN Cc1ncsc1C[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001308619642 933143369 /nfs/dbraw/zinc/14/33/69/933143369.db2.gz NMZXCKDEPZOQEF-UHFFFAOYSA-N 0 1 282.796 3.443 20 10 CGCDMN CC(C)(C)CC[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001308719670 933164749 /nfs/dbraw/zinc/16/47/49/933164749.db2.gz PSCDAMAFOXUHHG-CYBMUJFWSA-N 0 1 285.815 3.322 20 10 CGCDMN CCO[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC001474608550 937870063 /nfs/dbraw/zinc/87/00/63/937870063.db2.gz GOGXXOKETDCGOJ-KBPBESRZSA-N 0 1 283.799 3.483 20 10 CGCDMN Cc1ncc(C[N@@H+](C)Cc2ccc(Cl)cc2[O-])s1 ZINC001560660042 938268500 /nfs/dbraw/zinc/26/85/00/938268500.db2.gz CVKMEXURNPVMBD-UHFFFAOYSA-N 0 1 282.796 3.443 20 10 CGCDMN Cc1ncc(C[N@H+](C)Cc2ccc(Cl)cc2[O-])s1 ZINC001560660042 938268501 /nfs/dbraw/zinc/26/85/01/938268501.db2.gz CVKMEXURNPVMBD-UHFFFAOYSA-N 0 1 282.796 3.443 20 10 CGCDMN Cc1ncc(CN(C)Cc2ccc(Cl)cc2O)s1 ZINC001560660042 938268502 /nfs/dbraw/zinc/26/85/02/938268502.db2.gz CVKMEXURNPVMBD-UHFFFAOYSA-N 0 1 282.796 3.443 20 10 CGCDMN COc1cc(C)c(C[N@H+]2CCSC(C)(C)C2)c(O)c1 ZINC001560686808 938270424 /nfs/dbraw/zinc/27/04/24/938270424.db2.gz CDIGJIJMVWAVJA-UHFFFAOYSA-N 0 1 281.421 3.037 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CCC(O)(C(C)C)CC2)cc1Cl ZINC001561046990 938291666 /nfs/dbraw/zinc/29/16/66/938291666.db2.gz XMUSPTXXLYKVIS-UHFFFAOYSA-N 0 1 297.826 3.337 20 10 CGCDMN c1csc(SCCCCCCc2cn[nH]n2)n1 ZINC001578052638 962568160 /nfs/dbraw/zinc/56/81/60/962568160.db2.gz FBMSVOAIGVWZPG-UHFFFAOYSA-N 0 1 268.411 3.156 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)c1 ZINC001591974165 976584559 /nfs/dbraw/zinc/58/45/59/976584559.db2.gz PWIHOVLYRPLNFE-LBPRGKRZSA-N 0 1 291.391 3.343 20 10 CGCDMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1cc(C)ccc1O)CC1CC1 ZINC001594787545 981822073 /nfs/dbraw/zinc/82/20/73/981822073.db2.gz HONLLQSCSIZXFD-KRWDZBQOSA-N 0 1 291.391 3.166 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1 ZINC001594423878 999584330 /nfs/dbraw/zinc/58/43/30/999584330.db2.gz JZLCDKJELWOVJH-IUODEOHRSA-N 0 1 291.391 3.201 20 10 CGCDMN C[C@H]1Oc2ccccc2[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000288609934 371741996 /nfs/dbraw/zinc/74/19/96/371741996.db2.gz QLXKXMWILAIRMT-KZULUSFZSA-N 0 1 281.355 3.233 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000294743615 372670909 /nfs/dbraw/zinc/67/09/09/372670909.db2.gz QYKLCZMCYWCMBN-MWLCHTKSSA-N 0 1 287.762 3.184 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H](O)C(F)F ZINC000296386481 373115850 /nfs/dbraw/zinc/11/58/50/373115850.db2.gz JWSTYOKQIJHBNE-JWYUURKGSA-N 0 1 293.741 3.101 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cc(Cl)ccc1[O-] ZINC000296506477 373156996 /nfs/dbraw/zinc/15/69/96/373156996.db2.gz PIJMLPNTONUBEH-TVQRCGJNSA-N 0 1 269.772 3.264 20 10 CGCDMN Cc1cccc(CN2CCO[C@@H](c3cccs3)C2)c1O ZINC000179887783 373934806 /nfs/dbraw/zinc/93/48/06/373934806.db2.gz MIDBQWYYRFIDKL-CQSZACIVSA-N 0 1 289.400 3.336 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC(Cc2ccco2)C1 ZINC000529649315 375931956 /nfs/dbraw/zinc/93/19/56/375931956.db2.gz RARMAFKXCNZMTL-UHFFFAOYSA-N 0 1 277.751 3.313 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000271893168 378512030 /nfs/dbraw/zinc/51/20/30/378512030.db2.gz XOEIFILVTITYNZ-UHFFFAOYSA-N 0 1 281.783 3.048 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000375215530 379488213 /nfs/dbraw/zinc/48/82/13/379488213.db2.gz XVAVVRBOUYWFFW-SFHVURJKSA-N 0 1 299.345 3.163 20 10 CGCDMN CN(C)c1ccc(CNCc2ccc(F)cc2F)cc1 ZINC000020145998 171031687 /nfs/dbraw/zinc/03/16/87/171031687.db2.gz IFHMYBHOPNMZRH-UHFFFAOYSA-N 0 1 276.330 3.321 20 10 CGCDMN CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000185059706 262039432 /nfs/dbraw/zinc/03/94/32/262039432.db2.gz LPNWHRSWTWJGJD-RYUDHWBXSA-N 0 1 282.815 3.038 20 10 CGCDMN C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000185190804 262045431 /nfs/dbraw/zinc/04/54/31/262045431.db2.gz YQNXEEDYQKIODF-HZMBPMFUSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186074985 262078470 /nfs/dbraw/zinc/07/84/70/262078470.db2.gz RMMAHYGMPZBGOB-MNOVXSKESA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@H](CSC)[N@@H+](C)Cc1cc(F)ccc1O ZINC000290445944 263116809 /nfs/dbraw/zinc/11/68/09/263116809.db2.gz MBTSQMZQZQSPNY-GFCCVEGCSA-N 0 1 257.374 3.105 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000377195039 268054749 /nfs/dbraw/zinc/05/47/49/268054749.db2.gz CLAZEEINUWFCOZ-WDEREUQCSA-N 0 1 299.773 3.043 20 10 CGCDMN CCN(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000054109888 276305985 /nfs/dbraw/zinc/30/59/85/276305985.db2.gz LSKZZYDCLGJAQO-CYBMUJFWSA-N 0 1 272.392 3.148 20 10 CGCDMN CCN(CC)c1ccc(CN[C@H](C)c2cnccn2)cc1 ZINC000178228669 327792833 /nfs/dbraw/zinc/79/28/33/327792833.db2.gz SKESUYUOGSZLEL-CQSZACIVSA-N 0 1 284.407 3.174 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+]CC1CC=CC1 ZINC000527751665 330281064 /nfs/dbraw/zinc/28/10/64/330281064.db2.gz XYNPABLPUBBDHN-UHFFFAOYSA-N 0 1 282.181 3.211 20 10 CGCDMN COCCC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000529637263 333502408 /nfs/dbraw/zinc/50/24/08/333502408.db2.gz AHSCNHGPILAOSC-UHFFFAOYSA-N 0 1 283.799 3.294 20 10 CGCDMN CCN(CC)c1ccc(CN[C@H](C)c2nccnc2C)cc1 ZINC000187795552 517641885 /nfs/dbraw/zinc/64/18/85/517641885.db2.gz ZYAHRLXKEXAUDA-OAHLLOKOSA-N 0 1 298.434 3.482 20 10 CGCDMN CCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000052067783 520063709 /nfs/dbraw/zinc/06/37/09/520063709.db2.gz LNRRHDJXWOSVCA-MRVPVSSYSA-N 0 1 258.159 3.215 20 10 CGCDMN CCN(CC)[C@H](C(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000236866472 520850227 /nfs/dbraw/zinc/85/02/27/520850227.db2.gz MXHPIXNSQBBILY-KRWDZBQOSA-N 0 1 297.402 3.290 20 10 CGCDMN CCc1nnc(CN[C@H](CC)c2ccc(C)cc2O)s1 ZINC000290097404 522748812 /nfs/dbraw/zinc/74/88/12/522748812.db2.gz HSPVFABLGACDMT-GFCCVEGCSA-N 0 1 291.420 3.355 20 10 CGCDMN COc1cccc(O)c1CNCc1c(C)cccc1F ZINC000742380120 572351953 /nfs/dbraw/zinc/35/19/53/572351953.db2.gz ABYGHWQAVCNPQE-UHFFFAOYSA-N 0 1 275.323 3.138 20 10 CGCDMN CCN(CC)c1ccc(CN(C)Cc2cnc(C)nc2)cc1 ZINC000738299019 572369668 /nfs/dbraw/zinc/36/96/68/572369668.db2.gz MHUBJKNIKHGJSA-UHFFFAOYSA-N 0 1 298.434 3.263 20 10 CGCDMN CCN(C)c1ccc(CN(C)Cc2ccco2)cc1 ZINC000741752939 572521984 /nfs/dbraw/zinc/52/19/84/572521984.db2.gz JSRSVFYRAADGNH-UHFFFAOYSA-N 0 1 258.365 3.368 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(Cl)nc1 ZINC000733324815 572555331 /nfs/dbraw/zinc/55/53/31/572555331.db2.gz DPTSWANKJIWAIF-UHFFFAOYSA-N 0 1 283.158 3.384 20 10 CGCDMN Oc1ccc(-c2ccccc2)cc1CNCc1cc[nH]n1 ZINC000742370256 572568013 /nfs/dbraw/zinc/56/80/13/572568013.db2.gz YXYLEYYTIXPKIT-UHFFFAOYSA-N 0 1 279.343 3.072 20 10 CGCDMN C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C(C)(C)C(=O)[O-] ZINC000833694833 604627697 /nfs/dbraw/zinc/62/76/97/604627697.db2.gz RSZMXNSJYLNTFY-UHFFFAOYSA-N 0 1 299.370 3.354 20 10 CGCDMN CCn1ccc(CN[C@H](C)c2cc(Cl)ccc2O)n1 ZINC000840841058 618262023 /nfs/dbraw/zinc/26/20/23/618262023.db2.gz QYPAKLKZUABRIO-SNVBAGLBSA-N 0 1 279.771 3.113 20 10 CGCDMN COc1ccnc([C@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000924573341 618855797 /nfs/dbraw/zinc/85/57/97/618855797.db2.gz IASGHPVFDFPTJB-ZDUSSCGKSA-N 0 1 285.391 3.007 20 10 CGCDMN COCC[C@H](C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000840955901 619263818 /nfs/dbraw/zinc/26/38/18/619263818.db2.gz ZZUIVVQQGNVXJU-ZDUSSCGKSA-N 0 1 273.376 3.308 20 10 CGCDMN CC(C)(C[NH2+]Cc1cc(Cl)ccc1[O-])OCC1CC1 ZINC000840960930 619280452 /nfs/dbraw/zinc/28/04/52/619280452.db2.gz YBUMJDUCLSYZKL-UHFFFAOYSA-N 0 1 283.799 3.340 20 10 CGCDMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894748590 619619903 /nfs/dbraw/zinc/61/99/03/619619903.db2.gz UHNRWEBQEDLWQF-SMDDNHRTSA-N 0 1 299.361 3.186 20 10 CGCDMN Oc1cccc(Cl)c1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895847317 619896347 /nfs/dbraw/zinc/89/63/47/619896347.db2.gz UFZLXEKFMISPTB-NHYWBVRUSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895847317 619896351 /nfs/dbraw/zinc/89/63/51/619896351.db2.gz UFZLXEKFMISPTB-NHYWBVRUSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895847317 619896353 /nfs/dbraw/zinc/89/63/53/619896353.db2.gz UFZLXEKFMISPTB-NHYWBVRUSA-N 0 1 281.783 3.047 20 10 CGCDMN COCCCC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000841894867 619928890 /nfs/dbraw/zinc/92/88/90/619928890.db2.gz YTUVGICBSRQXOL-UHFFFAOYSA-N 0 1 275.751 3.043 20 10 CGCDMN Cc1cccc(O)c1CNCc1nc2c(s1)CCCC2 ZINC000896825405 620071540 /nfs/dbraw/zinc/07/15/40/620071540.db2.gz RNNZPVIAHRBPRC-UHFFFAOYSA-N 0 1 288.416 3.326 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000903302092 621668439 /nfs/dbraw/zinc/66/84/39/621668439.db2.gz YULUXJVKORMRPY-DCGLDWPTSA-N 0 1 284.403 3.289 20 10 CGCDMN C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226586471 622985828 /nfs/dbraw/zinc/98/58/28/622985828.db2.gz AQKJSTUCCUUWNZ-NWDGAFQWSA-N 0 1 251.345 3.447 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](C)N)c1cc(Cl)cc(Cl)c1[O-] ZINC000817971982 625629082 /nfs/dbraw/zinc/62/90/82/625629082.db2.gz IORKTPNSVUEKCU-RDDDGLTNSA-N 0 1 277.195 3.087 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC(C(F)F)C1 ZINC000839141742 626322799 /nfs/dbraw/zinc/32/27/99/626322799.db2.gz YBTAMNRZUMPHQT-UHFFFAOYSA-N 0 1 282.117 3.396 20 10 CGCDMN C[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccccc1O ZINC000179803738 624687251 /nfs/dbraw/zinc/68/72/51/624687251.db2.gz INXAIRKLZPLCGS-UHFFFAOYSA-N 0 1 293.370 3.414 20 10 CGCDMN CN(Cc1c[nH]c(-c2ccccc2)n1)Cc1ccccc1O ZINC000179803738 624687254 /nfs/dbraw/zinc/68/72/54/624687254.db2.gz INXAIRKLZPLCGS-UHFFFAOYSA-N 0 1 293.370 3.414 20 10 CGCDMN CCOc1ccc(O)c(CN[C@H](C)c2nc(C)cs2)c1 ZINC000069168216 624801784 /nfs/dbraw/zinc/80/17/84/624801784.db2.gz IFHDMHFFAZSKBY-LLVKDONJSA-N 0 1 292.404 3.407 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2ccncc2Cl)c1 ZINC000182435207 625000933 /nfs/dbraw/zinc/00/09/33/625000933.db2.gz LDEAEMQFKURJHN-SNVBAGLBSA-N 0 1 292.766 3.300 20 10 CGCDMN CCN(Cc1cccc(Br)c1O)CC(F)F ZINC000184093363 625204099 /nfs/dbraw/zinc/20/40/99/625204099.db2.gz GDCMQDNJWFXLJM-UHFFFAOYSA-N 0 1 294.139 3.242 20 10 CGCDMN CCc1onc(C)c1CNCc1ccc(N(C)C)c(F)c1 ZINC000922988047 626116079 /nfs/dbraw/zinc/11/60/79/626116079.db2.gz JENFLRBLSOPTCY-UHFFFAOYSA-N 0 1 291.370 3.040 20 10 CGCDMN CN(C)c1ccc(CNCc2ccc3c(n2)CCC3)cc1F ZINC000838917573 626278118 /nfs/dbraw/zinc/27/81/18/626278118.db2.gz IDTVYPQSWBOUDW-UHFFFAOYSA-N 0 1 299.393 3.065 20 10 CGCDMN COCCC1(C)C[NH+](Cc2ccc3ccccc3c2[O-])C1 ZINC000839144587 626316984 /nfs/dbraw/zinc/31/69/84/626316984.db2.gz ZCUCBWXDPYVHOE-UHFFFAOYSA-N 0 1 285.387 3.404 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839193052 626329297 /nfs/dbraw/zinc/32/92/97/626329297.db2.gz YDGAGQITFSXNAC-ICCXJUOJSA-N 0 1 296.208 3.433 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC000839197386 626331655 /nfs/dbraw/zinc/33/16/55/626331655.db2.gz YUYJYEIJDXAPTJ-ONERCXAPSA-N 0 1 277.339 3.012 20 10 CGCDMN C[C@H]1CSCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000754156846 626561793 /nfs/dbraw/zinc/56/17/93/626561793.db2.gz WDMXAQHBHWXOAF-SECBINFHSA-N 0 1 289.803 3.370 20 10 CGCDMN C[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)CCS1 ZINC000756147809 626681248 /nfs/dbraw/zinc/68/12/48/626681248.db2.gz VRVYUSSTWBKMCA-JTQLQIEISA-N 0 1 271.813 3.373 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)CCS1 ZINC000756147809 626681249 /nfs/dbraw/zinc/68/12/49/626681249.db2.gz VRVYUSSTWBKMCA-JTQLQIEISA-N 0 1 271.813 3.373 20 10 CGCDMN C[C@@H]([NH2+]CCN1CCC(C)CC1)c1cc(Cl)ccc1[O-] ZINC000756413087 626703460 /nfs/dbraw/zinc/70/34/60/626703460.db2.gz BOUVWWBQEOGHTL-CYBMUJFWSA-N 0 1 296.842 3.428 20 10 CGCDMN C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000756417110 626704010 /nfs/dbraw/zinc/70/40/10/626704010.db2.gz PKFDJNFKTNLUFP-STQMWFEESA-N 0 1 296.842 3.428 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2cc(C(C)C)no2)c1 ZINC000756574583 626716924 /nfs/dbraw/zinc/71/69/24/626716924.db2.gz XRZWWTAMJKWWKB-NSHDSACASA-N 0 1 290.363 3.363 20 10 CGCDMN CC(C)[C@@H](CCO)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756610914 626720856 /nfs/dbraw/zinc/72/08/56/626720856.db2.gz URTJYTYCSPKKIN-RAIGVLPGSA-N 0 1 281.371 3.076 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]CC(C)(C)CCO)c2c1c(F)ccc2[O-] ZINC000756619905 626721177 /nfs/dbraw/zinc/72/11/77/626721177.db2.gz ZAXYZZQJHJGKMV-JQWIXIFHSA-N 0 1 281.371 3.078 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]CC2(C)CCOCC2)c2c1c(F)ccc2[O-] ZINC000756747592 626729154 /nfs/dbraw/zinc/72/91/54/626729154.db2.gz RMVZCQIUZCZSIS-YPMHNXCESA-N 0 1 293.382 3.486 20 10 CGCDMN C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000756782576 626732156 /nfs/dbraw/zinc/73/21/56/626732156.db2.gz CIOCBCBXXGACBB-WRWORJQWSA-N 0 1 297.704 3.010 20 10 CGCDMN COCC1([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000756849768 626737400 /nfs/dbraw/zinc/73/74/00/626737400.db2.gz DXMDQFFDPJEPGM-GFCCVEGCSA-N 0 1 271.360 3.375 20 10 CGCDMN C[C@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCO[C@H]1C1CC1 ZINC000767195512 627389252 /nfs/dbraw/zinc/38/92/52/627389252.db2.gz JTOTWULZBPQVKB-JKSUJKDBSA-N 0 1 295.810 3.340 20 10 CGCDMN CSC[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000767774703 627436125 /nfs/dbraw/zinc/43/61/25/627436125.db2.gz KUTWUZLXKZEWBC-ZDUSSCGKSA-N 0 1 288.416 3.268 20 10 CGCDMN CSC[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000767774703 627436127 /nfs/dbraw/zinc/43/61/27/627436127.db2.gz KUTWUZLXKZEWBC-ZDUSSCGKSA-N 0 1 288.416 3.268 20 10 CGCDMN Oc1ccccc1CN(Cc1ccoc1)C[C@H]1CCCO1 ZINC000768163303 627465125 /nfs/dbraw/zinc/46/51/25/627465125.db2.gz XXTQJIIDPDBERG-MRXNPFEDSA-N 0 1 287.359 3.166 20 10 CGCDMN CCOc1ccc(O)c(CN2CCOc3ccccc3C2)c1 ZINC000768941148 627510713 /nfs/dbraw/zinc/51/07/13/627510713.db2.gz PMMHOJYGCSZTRI-UHFFFAOYSA-N 0 1 299.370 3.186 20 10 CGCDMN C[N@@H+](Cc1cn[nH]c1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769425184 627549917 /nfs/dbraw/zinc/54/99/17/627549917.db2.gz OYFQUFNNSZUHSX-UHFFFAOYSA-N 0 1 286.162 3.054 20 10 CGCDMN CCOc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)c(O)c1 ZINC000769515096 627561833 /nfs/dbraw/zinc/56/18/33/627561833.db2.gz NOUVCKJALCPTPR-ZDUSSCGKSA-N 0 1 261.365 3.023 20 10 CGCDMN CC[C@@H]([NH2+]C[C@](C)(O)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775503675 628101638 /nfs/dbraw/zinc/10/16/38/628101638.db2.gz MDUTYFYBVYXSSD-HIFRSBDPSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000775512810 628102716 /nfs/dbraw/zinc/10/27/16/628102716.db2.gz BTODERVGIWTNLS-ZKYQVNSYSA-N 0 1 281.783 3.023 20 10 CGCDMN CC[C@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000775523562 628103633 /nfs/dbraw/zinc/10/36/33/628103633.db2.gz LADRFPMWCVBFLV-OCCSQVGLSA-N 0 1 283.799 3.247 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000775533778 628104170 /nfs/dbraw/zinc/10/41/70/628104170.db2.gz PJFGMRCQWHHMFR-CABZTGNLSA-N 0 1 271.788 3.246 20 10 CGCDMN Cc1cc(Cl)cc(CN2CCOC3(CCCC3)C2)c1O ZINC000775712872 628128447 /nfs/dbraw/zinc/12/84/47/628128447.db2.gz KNMJXZVJFHYCQL-UHFFFAOYSA-N 0 1 295.810 3.499 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCOC2(CCCC2)C1 ZINC000775714717 628128582 /nfs/dbraw/zinc/12/85/82/628128582.db2.gz WBPWYEQQDSONIE-UHFFFAOYSA-N 0 1 299.773 3.330 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000775714717 628128584 /nfs/dbraw/zinc/12/85/84/628128584.db2.gz WBPWYEQQDSONIE-UHFFFAOYSA-N 0 1 299.773 3.330 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000775714717 628128585 /nfs/dbraw/zinc/12/85/85/628128585.db2.gz WBPWYEQQDSONIE-UHFFFAOYSA-N 0 1 299.773 3.330 20 10 CGCDMN Cc1cc(Cl)cc(CNCc2cccc(F)n2)c1O ZINC000776251830 628184764 /nfs/dbraw/zinc/18/47/64/628184764.db2.gz CWTURXXVKJQRDD-UHFFFAOYSA-N 0 1 280.730 3.178 20 10 CGCDMN C[C@H]1c2ccccc2OCCN1Cc1cc(F)ccc1O ZINC000778999664 628382169 /nfs/dbraw/zinc/38/21/69/628382169.db2.gz JGILZSMBLWJTTJ-LBPRGKRZSA-N 0 1 287.334 3.487 20 10 CGCDMN CC(C)[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000779150854 628390643 /nfs/dbraw/zinc/39/06/43/628390643.db2.gz SXWOKVSWZTXMFL-ZDUSSCGKSA-N 0 1 287.762 3.042 20 10 CGCDMN COc1ccc(O)c(CN2Cc3ccccc3OC[C@@H]2C)c1 ZINC000783598823 628730599 /nfs/dbraw/zinc/73/05/99/628730599.db2.gz ZFFLBDJSKYBKFZ-ZDUSSCGKSA-N 0 1 299.370 3.184 20 10 CGCDMN CC(C)([NH2+]Cc1c([O-])cccc1Cl)C1CCOCC1 ZINC000785606386 628872262 /nfs/dbraw/zinc/87/22/62/628872262.db2.gz MVJGGAWCOHFRJQ-UHFFFAOYSA-N 0 1 283.799 3.340 20 10 CGCDMN Cc1ncc(CN(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000862218926 629325185 /nfs/dbraw/zinc/32/51/85/629325185.db2.gz PAPRMUCRPZKADX-UHFFFAOYSA-N 0 1 285.391 3.214 20 10 CGCDMN CN(Cc1ccccn1)Cc1c(O)ccc(Cl)c1F ZINC000792173976 629344451 /nfs/dbraw/zinc/34/44/51/629344451.db2.gz NAJPDTXPDUIDKL-UHFFFAOYSA-N 0 1 280.730 3.212 20 10 CGCDMN Cc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)nc(C)n1 ZINC000793567969 629484835 /nfs/dbraw/zinc/48/48/35/629484835.db2.gz MXDUXKGQGQLWOP-CYBMUJFWSA-N 0 1 284.407 3.010 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000793610351 629490263 /nfs/dbraw/zinc/49/02/63/629490263.db2.gz UMKLOKOUFHFFDO-ZDUSSCGKSA-N 0 1 283.799 3.173 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@H](C)C1 ZINC000799736144 630228251 /nfs/dbraw/zinc/22/82/51/630228251.db2.gz IMHZNPZMNATQNN-NXEZZACHSA-N 0 1 287.762 3.184 20 10 CGCDMN Cc1ccc(O)c(CN(C)Cc2cnc(C(C)C)nc2)c1 ZINC000799736873 630229055 /nfs/dbraw/zinc/22/90/55/630229055.db2.gz KLMWYIPFKFCLCA-UHFFFAOYSA-N 0 1 285.391 3.246 20 10 CGCDMN Oc1ccc(-c2ccccc2)cc1CN1CCOCC12CC2 ZINC000802658711 630403760 /nfs/dbraw/zinc/40/37/60/630403760.db2.gz OXYFWHNDIRWQJN-UHFFFAOYSA-N 0 1 295.382 3.424 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C3CC3)C2)c1[O-] ZINC000808778277 630677043 /nfs/dbraw/zinc/67/70/43/630677043.db2.gz QOKPFLJJPXGAQW-CYBMUJFWSA-N 0 1 291.366 3.356 20 10 CGCDMN C[C@H](CO)[N@@H+](Cc1cc(Cl)ccc1[O-])CC1CCC1 ZINC000809665639 630778517 /nfs/dbraw/zinc/77/85/17/630778517.db2.gz YBCIIIOEQHLDQH-LLVKDONJSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H](CO)[N@H+](Cc1cc(Cl)ccc1[O-])CC1CCC1 ZINC000809665639 630778522 /nfs/dbraw/zinc/77/85/22/630778522.db2.gz YBCIIIOEQHLDQH-LLVKDONJSA-N 0 1 283.799 3.029 20 10 CGCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C1CCC(CO)CC1 ZINC000809764283 630802161 /nfs/dbraw/zinc/80/21/61/630802161.db2.gz HUQVEEPGRPOWCP-UHFFFAOYSA-N 0 1 283.799 3.029 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C1CCC(CO)CC1 ZINC000809764283 630802162 /nfs/dbraw/zinc/80/21/62/630802162.db2.gz HUQVEEPGRPOWCP-UHFFFAOYSA-N 0 1 283.799 3.029 20 10 CGCDMN Cc1cc([C@@H](C)NCCCSc2nccs2)no1 ZINC000810220028 630855891 /nfs/dbraw/zinc/85/58/91/630855891.db2.gz ZRCBSILQUSQTRO-SNVBAGLBSA-N 0 1 283.422 3.273 20 10 CGCDMN COCC(C)(C)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000813883884 631476294 /nfs/dbraw/zinc/47/62/94/631476294.db2.gz YRZXMAKYKPBYMU-JQWIXIFHSA-N 0 1 281.371 3.342 20 10 CGCDMN CCN(C)c1ccc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000815102650 631717900 /nfs/dbraw/zinc/71/79/00/631717900.db2.gz LDLHZHOHEDMIPK-RDTXWAMCSA-N 0 1 288.435 3.142 20 10 CGCDMN CN(C)c1ccc(CNc2cc3c(cn2)CCC3)cc1F ZINC000815159053 631732888 /nfs/dbraw/zinc/73/28/88/631732888.db2.gz GWCKUUDCBLTZJM-UHFFFAOYSA-N 0 1 285.366 3.388 20 10 CGCDMN CCCC[N@H+](CCO)Cc1ccc2ccccc2c1[O-] ZINC000816481376 631989402 /nfs/dbraw/zinc/98/94/02/631989402.db2.gz SPFYWBJVDSMZQK-UHFFFAOYSA-N 0 1 273.376 3.140 20 10 CGCDMN CCCC[N@@H+](CCO)Cc1ccc2ccccc2c1[O-] ZINC000816481376 631989417 /nfs/dbraw/zinc/98/94/17/631989417.db2.gz SPFYWBJVDSMZQK-UHFFFAOYSA-N 0 1 273.376 3.140 20 10 CGCDMN [O-]c1c(C[NH+]2CCC(CCO)CC2)ccc2ccccc21 ZINC000816484176 631989529 /nfs/dbraw/zinc/98/95/29/631989529.db2.gz RNYFTACPMAPHAJ-UHFFFAOYSA-N 0 1 285.387 3.140 20 10 CGCDMN CC[C@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@H](C)O1 ZINC000816496236 631994559 /nfs/dbraw/zinc/99/45/59/631994559.db2.gz BFOFSBQUCNRPER-ONGXEEELSA-N 0 1 287.762 3.184 20 10 CGCDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])CC1CCOCC1 ZINC000816507250 631998102 /nfs/dbraw/zinc/99/81/02/631998102.db2.gz BDYUMXKBGKCWAA-UHFFFAOYSA-N 0 1 287.762 3.043 20 10 CGCDMN [O-]c1c(C[NH2+]CC2CCOCC2)ccc2ccccc21 ZINC000816545179 632007356 /nfs/dbraw/zinc/00/73/56/632007356.db2.gz HCEAFTTYUDMXMY-UHFFFAOYSA-N 0 1 271.360 3.062 20 10 CGCDMN CCC[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549569 632009134 /nfs/dbraw/zinc/00/91/34/632009134.db2.gz RTDHLOAIWSSEDY-QGZVFWFLSA-N 0 1 273.376 3.186 20 10 CGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])[C@H]1CCCOC1 ZINC000816608117 632022470 /nfs/dbraw/zinc/02/24/70/632022470.db2.gz POFVJXLFGKHTRA-HNNXBMFYSA-N 0 1 271.360 3.156 20 10 CGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])[C@H]1CCCOC1 ZINC000816608117 632022475 /nfs/dbraw/zinc/02/24/75/632022475.db2.gz POFVJXLFGKHTRA-HNNXBMFYSA-N 0 1 271.360 3.156 20 10 CGCDMN C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965892 632260340 /nfs/dbraw/zinc/26/03/40/632260340.db2.gz WTGHCMURJYXVIU-WRWORJQWSA-N 0 1 289.206 3.087 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CC12CC2)c1cc(Br)ccc1[O-] ZINC000818355500 632313008 /nfs/dbraw/zinc/31/30/08/632313008.db2.gz GYSHMIDLUBOQMT-QPUJVOFHSA-N 0 1 282.181 3.358 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(CO)cc2)c(Cl)c1 ZINC000842731672 632809939 /nfs/dbraw/zinc/80/99/39/632809939.db2.gz AMPRJQUTHPPLSF-UHFFFAOYSA-N 0 1 291.778 3.136 20 10 CGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000824894539 633303345 /nfs/dbraw/zinc/30/33/45/633303345.db2.gz HIPXNMBQXIANPW-LLVKDONJSA-N 0 1 296.208 3.387 20 10 CGCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000824894539 633303354 /nfs/dbraw/zinc/30/33/54/633303354.db2.gz HIPXNMBQXIANPW-LLVKDONJSA-N 0 1 296.208 3.387 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccccn2)cc1Cl ZINC000825044039 633320813 /nfs/dbraw/zinc/32/08/13/633320813.db2.gz OROWIMJYDYZEFZ-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN CCCc1ncc(CNCc2cc(OCC)ccc2O)o1 ZINC000825084597 633326810 /nfs/dbraw/zinc/32/68/10/633326810.db2.gz GAPPFEORQWZPEO-UHFFFAOYSA-N 0 1 290.363 3.021 20 10 CGCDMN CO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000825104443 633329156 /nfs/dbraw/zinc/32/91/56/633329156.db2.gz XAGJZQOTXQWFGX-UONOGXRCSA-N 0 1 295.810 3.435 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825134294 633331890 /nfs/dbraw/zinc/33/18/90/633331890.db2.gz XZWFTCFKCDBMKG-OAHLLOKOSA-N 0 1 299.773 3.187 20 10 CGCDMN CSCCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825297965 633343202 /nfs/dbraw/zinc/34/32/02/633343202.db2.gz QSKQNCZULCDVCB-UHFFFAOYSA-N 0 1 259.802 3.197 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2cscn2)cc1Cl ZINC000825304034 633343349 /nfs/dbraw/zinc/34/33/49/633343349.db2.gz PQOUYUBJPQIBHU-UHFFFAOYSA-N 0 1 282.796 3.143 20 10 CGCDMN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825316580 633344708 /nfs/dbraw/zinc/34/47/08/633344708.db2.gz XFNSESVHHYLRGA-ZWNOBZJWSA-N 0 1 285.815 3.241 20 10 CGCDMN COCC[C@@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826120692 633405322 /nfs/dbraw/zinc/40/53/22/633405322.db2.gz HQQLYWOGIMWVFJ-SNVBAGLBSA-N 0 1 271.788 3.116 20 10 CGCDMN CC1(C)C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CO1 ZINC000826796373 633433679 /nfs/dbraw/zinc/43/36/79/633433679.db2.gz JADYEKPBBJDOHE-CQSZACIVSA-N 0 1 271.360 3.203 20 10 CGCDMN CCc1ccc(C)nc1NCc1cccc(F)c1O ZINC000826910687 633443290 /nfs/dbraw/zinc/44/32/90/633443290.db2.gz LXSXNPOWXURYSG-UHFFFAOYSA-N 0 1 260.312 3.409 20 10 CGCDMN CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000827005638 633448446 /nfs/dbraw/zinc/44/84/46/633448446.db2.gz HEIPOBUJWUIGTE-HAQNSBGRSA-N 0 1 269.772 3.011 20 10 CGCDMN COc1cccc([O-])c1C[N@H+](CCC1CC1)CC1CC1 ZINC000827729087 633513050 /nfs/dbraw/zinc/51/30/50/633513050.db2.gz QZVHHNZMQNOMRH-UHFFFAOYSA-N 0 1 275.392 3.413 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+](CCC1CC1)CC1CC1 ZINC000827729087 633513053 /nfs/dbraw/zinc/51/30/53/633513053.db2.gz QZVHHNZMQNOMRH-UHFFFAOYSA-N 0 1 275.392 3.413 20 10 CGCDMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1cc(F)ccc1O ZINC000872134076 634057397 /nfs/dbraw/zinc/05/73/97/634057397.db2.gz RAPZDGLKTUTKGH-GXSJLCMTSA-N 0 1 275.327 3.042 20 10 CGCDMN CC(C)CC[C@@](C)(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000124030227 634102981 /nfs/dbraw/zinc/10/29/81/634102981.db2.gz MSMQOHFKGAINEL-OAHLLOKOSA-N 0 1 285.815 3.322 20 10 CGCDMN CC(=O)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000872797635 634211664 /nfs/dbraw/zinc/21/16/64/634211664.db2.gz AMIFYLTXERDOQY-UHFFFAOYSA-N 0 1 283.371 3.346 20 10 CGCDMN CCc1nc(CN[C@@H](C)c2cc(F)cc(F)c2O)co1 ZINC000834898581 634275670 /nfs/dbraw/zinc/27/56/70/634275670.db2.gz MERTYFYSFMURAT-QMMMGPOBSA-N 0 1 282.290 3.072 20 10 CGCDMN CN(C)c1ccc(/C=C\CN(C)Cc2ccco2)cc1 ZINC000835025302 634324320 /nfs/dbraw/zinc/32/43/20/634324320.db2.gz HMOUTTGWLJFXHE-XQRVVYSFSA-N 0 1 270.376 3.491 20 10 CGCDMN Cc1ccoc1CNC/C=C/c1ccc(N(C)C)cc1 ZINC000835052283 634336991 /nfs/dbraw/zinc/33/69/91/634336991.db2.gz DVHDCWINYPISLO-SNAWJCMRSA-N 0 1 270.376 3.457 20 10 CGCDMN CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1(CO)CCCC1 ZINC000835064871 634343541 /nfs/dbraw/zinc/34/35/41/634343541.db2.gz CFLQUGXWBYGNQV-MRXNPFEDSA-N 0 1 295.398 3.198 20 10 CGCDMN Cc1ccc(CN2CCO[C@H](c3ccsc3)C2)c(O)c1 ZINC000876778938 634897538 /nfs/dbraw/zinc/89/75/38/634897538.db2.gz SNQRILQFDAPHRM-INIZCTEOSA-N 0 1 289.400 3.336 20 10 CGCDMN Cc1csc([C@@H](C)NCc2ccc(C)cc2O)n1 ZINC000877002640 634948009 /nfs/dbraw/zinc/94/80/09/634948009.db2.gz BAQYLRUOZPASQJ-LLVKDONJSA-N 0 1 262.378 3.316 20 10 CGCDMN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877517595 635069001 /nfs/dbraw/zinc/06/90/01/635069001.db2.gz OPDZICAURYXURI-YPMHNXCESA-N 0 1 299.361 3.186 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@H](O)C(C)C ZINC000840882124 635072772 /nfs/dbraw/zinc/07/27/72/635072772.db2.gz MKWAMVRJFRQNTP-RIEGTJTDSA-N 0 1 285.815 3.492 20 10 CGCDMN CO[C@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)C(F)(F)F ZINC000840899073 635078186 /nfs/dbraw/zinc/07/81/86/635078186.db2.gz NIJFXFFXZCTAPP-LLVKDONJSA-N 0 1 297.704 3.021 20 10 CGCDMN Cc1ccc([C@H](O)C[NH2+]Cc2c([O-])cc(C)cc2Cl)o1 ZINC000840897738 635078366 /nfs/dbraw/zinc/07/83/66/635078366.db2.gz AFBDUKUAUQHJGR-CQSZACIVSA-N 0 1 295.766 3.079 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](OC(F)F)C2)c(Cl)c1 ZINC000840943171 635088005 /nfs/dbraw/zinc/08/80/05/635088005.db2.gz ISMADNRCNIDDEH-VIFPVBQESA-N 0 1 291.725 3.168 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](OC(F)F)C2)c(Cl)c1 ZINC000840943171 635088009 /nfs/dbraw/zinc/08/80/09/635088009.db2.gz ISMADNRCNIDDEH-VIFPVBQESA-N 0 1 291.725 3.168 20 10 CGCDMN Cc1cc(O)c(CN2CC[C@H](OC(F)F)C2)c(Cl)c1 ZINC000840943171 635088012 /nfs/dbraw/zinc/08/80/12/635088012.db2.gz ISMADNRCNIDDEH-VIFPVBQESA-N 0 1 291.725 3.168 20 10 CGCDMN CCC[C@@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)OC ZINC000840949841 635091173 /nfs/dbraw/zinc/09/11/73/635091173.db2.gz BAMATRWVUMQFME-NSHDSACASA-N 0 1 271.788 3.259 20 10 CGCDMN C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841746593 635222494 /nfs/dbraw/zinc/22/24/94/635222494.db2.gz IZLFTSXEWVJOGO-MRVPVSSYSA-N 0 1 297.704 3.275 20 10 CGCDMN Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841746396 635222852 /nfs/dbraw/zinc/22/28/52/635222852.db2.gz GDSZRTFDUQBKOD-SECBINFHSA-N 0 1 293.798 3.247 20 10 CGCDMN C[C@H]([NH2+]CCc1nccs1)c1ccc(Cl)cc1[O-] ZINC000841748688 635223584 /nfs/dbraw/zinc/22/35/84/635223584.db2.gz YEPSNXNJZBIGCK-VIFPVBQESA-N 0 1 282.796 3.395 20 10 CGCDMN C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(Cl)cc1[O-] ZINC000841751017 635225615 /nfs/dbraw/zinc/22/56/15/635225615.db2.gz FAZAZCDIJFBVDI-NOZJJQNGSA-N 0 1 297.807 3.491 20 10 CGCDMN C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841754846 635228742 /nfs/dbraw/zinc/22/87/42/635228742.db2.gz MONLOHTZGXFTFW-NWDGAFQWSA-N 0 1 282.815 3.181 20 10 CGCDMN Cc1nccnc1CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841755563 635230236 /nfs/dbraw/zinc/23/02/36/635230236.db2.gz JHLORAHZJOEOJI-SNVBAGLBSA-N 0 1 291.782 3.037 20 10 CGCDMN C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841758109 635231003 /nfs/dbraw/zinc/23/10/03/635231003.db2.gz SDDUOQQYPXKTGT-IINYFYTJSA-N 0 1 283.799 3.247 20 10 CGCDMN C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841758112 635232042 /nfs/dbraw/zinc/23/20/42/635232042.db2.gz SDDUOQQYPXKTGT-QMTHXVAHSA-N 0 1 283.799 3.247 20 10 CGCDMN COCCCC[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000841894116 635248466 /nfs/dbraw/zinc/24/84/66/635248466.db2.gz NTLUYWKJRRJKSC-UHFFFAOYSA-N 0 1 275.751 3.043 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1COCc2ccccc21 ZINC000841891441 635248505 /nfs/dbraw/zinc/24/85/05/635248505.db2.gz PTVDEGKPTUEQQV-HNNXBMFYSA-N 0 1 289.762 3.407 20 10 CGCDMN Oc1cccc(Cl)c1CN[C@H]1COCc2ccccc21 ZINC000841891441 635248509 /nfs/dbraw/zinc/24/85/09/635248509.db2.gz PTVDEGKPTUEQQV-HNNXBMFYSA-N 0 1 289.762 3.407 20 10 CGCDMN CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000842920923 635512137 /nfs/dbraw/zinc/51/21/37/635512137.db2.gz ZYDGGTVOVXQKRR-GVXVVHGQSA-N 0 1 285.815 3.493 20 10 CGCDMN CCCC[N@@H+](CCc1cnccn1)Cc1ccccc1O ZINC000878565271 635558147 /nfs/dbraw/zinc/55/81/47/635558147.db2.gz KNTMCBVZMGBHDP-UHFFFAOYSA-N 0 1 285.391 3.027 20 10 CGCDMN CC(C)O[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843414288 635661864 /nfs/dbraw/zinc/66/18/64/635661864.db2.gz ZEKIZSWTMHOCRP-SNVBAGLBSA-N 0 1 287.762 3.184 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000843417189 635663172 /nfs/dbraw/zinc/66/31/72/635663172.db2.gz QRNMWEGXXIVPBD-ZFWWWQNUSA-N 0 1 295.810 3.437 20 10 CGCDMN CC[N@@H+](CCSC)Cc1cc(Cl)c(F)cc1[O-] ZINC000843437302 635676065 /nfs/dbraw/zinc/67/60/65/635676065.db2.gz AOBILODWZWBNHN-UHFFFAOYSA-N 0 1 277.792 3.370 20 10 CGCDMN CCCN1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000127870987 635817345 /nfs/dbraw/zinc/81/73/45/635817345.db2.gz SLDMGJPFXSYTCT-UHFFFAOYSA-N 0 1 282.815 3.010 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C2(CCC2)CO1 ZINC000846067345 636140739 /nfs/dbraw/zinc/14/07/39/636140739.db2.gz PVPXNLGTDIESBJ-SNVBAGLBSA-N 0 1 299.773 3.328 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846117149 636146964 /nfs/dbraw/zinc/14/69/64/636146964.db2.gz NMBXZTCOHQEPJJ-GFCCVEGCSA-N 0 1 273.710 3.277 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846117149 636146967 /nfs/dbraw/zinc/14/69/67/636146967.db2.gz NMBXZTCOHQEPJJ-GFCCVEGCSA-N 0 1 273.710 3.277 20 10 CGCDMN COc1cccc([C@H](C)NCc2ncc(C)s2)c1O ZINC000846145003 636149331 /nfs/dbraw/zinc/14/93/31/636149331.db2.gz JIEJEYGKLPWPSG-JTQLQIEISA-N 0 1 278.377 3.017 20 10 CGCDMN C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000846188945 636156281 /nfs/dbraw/zinc/15/62/81/636156281.db2.gz RGQHPVYZDNIWNG-APPDUMDISA-N 0 1 293.382 3.387 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000848560696 636606528 /nfs/dbraw/zinc/60/65/28/636606528.db2.gz QCYGMMHBOZUHQD-HOTGVXAUSA-N 0 1 295.810 3.483 20 10 CGCDMN CCc1cccc(CN2CCO[C@H](c3ccco3)C2)c1O ZINC000848889554 636676056 /nfs/dbraw/zinc/67/60/56/636676056.db2.gz MEDLLQHCKAIATR-INIZCTEOSA-N 0 1 287.359 3.121 20 10 CGCDMN CCc1cccc(CN2CCO[C@@H](c3ccco3)C2)c1O ZINC000848889555 636677934 /nfs/dbraw/zinc/67/79/34/636677934.db2.gz MEDLLQHCKAIATR-MRXNPFEDSA-N 0 1 287.359 3.121 20 10 CGCDMN CCOC(=O)CC[N@@H+](Cc1cccc(Cl)c1[O-])C(C)C ZINC000848927459 636698491 /nfs/dbraw/zinc/69/84/91/636698491.db2.gz FQEYLLODFOFEPG-UHFFFAOYSA-N 0 1 299.798 3.209 20 10 CGCDMN Cc1noc([C@@H](C)N(C)Cc2c(O)ccc(Cl)c2F)n1 ZINC000848926438 636699211 /nfs/dbraw/zinc/69/92/11/636699211.db2.gz XTEFTZWXTTYASG-SSDOTTSWSA-N 0 1 299.733 3.069 20 10 CGCDMN C[C@@H](O)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000848928529 636700186 /nfs/dbraw/zinc/70/01/86/636700186.db2.gz GKRNAYWLDGYYLJ-MRVPVSSYSA-N 0 1 290.190 3.044 20 10 CGCDMN CC1(C)[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])C1(F)F ZINC000850393407 637045489 /nfs/dbraw/zinc/04/54/89/637045489.db2.gz CEBMVJXLGZSDRI-NSHDSACASA-N 0 1 275.726 3.427 20 10 CGCDMN Cc1cncc(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000850549220 637117943 /nfs/dbraw/zinc/11/79/43/637117943.db2.gz FGHAJMPSRDYGAQ-LLVKDONJSA-N 0 1 291.782 3.037 20 10 CGCDMN CC[C@@H]([NH2+][C@@H]1C[C@]1(C)OC)c1cc(Cl)ccc1[O-] ZINC000850569868 637127702 /nfs/dbraw/zinc/12/77/02/637127702.db2.gz BWFHAHZHMLFEAE-BNOWGMLFSA-N 0 1 269.772 3.264 20 10 CGCDMN Oc1ccccc1CN(CCOC1CC1)Cc1ccco1 ZINC000929973158 638965616 /nfs/dbraw/zinc/96/56/16/638965616.db2.gz XEBMEOYATFAJPN-UHFFFAOYSA-N 0 1 287.359 3.166 20 10 CGCDMN CC[C@H](NCc1ccc(N(C)C)cc1)c1nccs1 ZINC000078004294 640277540 /nfs/dbraw/zinc/27/75/40/640277540.db2.gz FZUVVRBQPPNHAN-AWEZNQCLSA-N 0 1 275.421 3.450 20 10 CGCDMN Clc1ccc(CNCc2ccc3c(c2)CCO3)o1 ZINC000078819450 640347239 /nfs/dbraw/zinc/34/72/39/640347239.db2.gz ABIBWYDNGGEPPH-UHFFFAOYSA-N 0 1 263.724 3.158 20 10 CGCDMN CCOc1cccc(CN2CCOC[C@@H]2CC(C)C)c1O ZINC000093340144 640769792 /nfs/dbraw/zinc/76/97/92/640769792.db2.gz SYNBNGCAFUOTDB-HNNXBMFYSA-N 0 1 293.407 3.038 20 10 CGCDMN CCOC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093419147 640771093 /nfs/dbraw/zinc/77/10/93/640771093.db2.gz BITTVCJVRGXHPA-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN CCOC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093419147 640771099 /nfs/dbraw/zinc/77/10/99/640771099.db2.gz BITTVCJVRGXHPA-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN Oc1ccc(-c2nc3cc(F)cc(Cl)c3[nH]2)cc1O ZINC001250464650 805632249 /nfs/dbraw/zinc/63/22/49/805632249.db2.gz HUOAHHWOTWGPOZ-UHFFFAOYSA-N 0 1 278.670 3.434 20 10 CGCDMN CN(C)c1ccc(CN(C)CCC(F)(F)F)cc1F ZINC000119749612 798987353 /nfs/dbraw/zinc/98/73/53/798987353.db2.gz WUUQWIDNKIDXFC-UHFFFAOYSA-N 0 1 278.293 3.276 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000314594787 799234293 /nfs/dbraw/zinc/23/42/93/799234293.db2.gz CBUHYUXOJBHHIQ-DZGCQCFKSA-N 0 1 296.414 3.433 20 10 CGCDMN C[N@H+](CCOC(C)(C)C)Cc1c([O-])cccc1Cl ZINC000690115733 799772706 /nfs/dbraw/zinc/77/27/06/799772706.db2.gz QXSTYRCJOYTMCJ-UHFFFAOYSA-N 0 1 271.788 3.293 20 10 CGCDMN C[N@@H+](CCOC(C)(C)C)Cc1c([O-])cccc1Cl ZINC000690115733 799772708 /nfs/dbraw/zinc/77/27/08/799772708.db2.gz QXSTYRCJOYTMCJ-UHFFFAOYSA-N 0 1 271.788 3.293 20 10 CGCDMN C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000691425239 799784005 /nfs/dbraw/zinc/78/40/05/799784005.db2.gz DFYSRRPJEMTOFW-SKDRFNHKSA-N 0 1 284.197 3.433 20 10 CGCDMN CCCO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000701666306 799891059 /nfs/dbraw/zinc/89/10/59/799891059.db2.gz TZAYPQSQKGHTLQ-GFCCVEGCSA-N 0 1 269.772 3.047 20 10 CGCDMN COc1ccc(F)c(NCc2ccc(F)c(F)c2O)c1 ZINC000703348999 799922838 /nfs/dbraw/zinc/92/28/38/799922838.db2.gz USJWQYZPDOFAJJ-UHFFFAOYSA-N 0 1 283.249 3.430 20 10 CGCDMN CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703489607 799924252 /nfs/dbraw/zinc/92/42/52/799924252.db2.gz GQVULSLCWAVOQX-LBPRGKRZSA-N 0 1 285.334 3.061 20 10 CGCDMN CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000706526955 799963104 /nfs/dbraw/zinc/96/31/04/799963104.db2.gz JMEPNQSOIPSHJK-MRVWCRGKSA-N 0 1 271.360 3.373 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@@H]1CCCS1 ZINC000715666087 800142541 /nfs/dbraw/zinc/14/25/41/800142541.db2.gz IHCLUQBDLGCWGY-JTQLQIEISA-N 0 1 271.813 3.421 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CCOCC1 ZINC000716481136 800171877 /nfs/dbraw/zinc/17/18/77/800171877.db2.gz KBAZSIGTKMUAMY-UHFFFAOYSA-N 0 1 299.798 3.055 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CCOCC1 ZINC000716481136 800171879 /nfs/dbraw/zinc/17/18/79/800171879.db2.gz KBAZSIGTKMUAMY-UHFFFAOYSA-N 0 1 299.798 3.055 20 10 CGCDMN COc1ccc(CNCc2cnc(Cl)s2)cc1C ZINC000718184237 800212624 /nfs/dbraw/zinc/21/26/24/800212624.db2.gz ANBPSSTZDNTJKM-UHFFFAOYSA-N 0 1 282.796 3.403 20 10 CGCDMN Oc1ccccc1CNCc1nc2c(s1)CCCC2 ZINC000719634624 800247685 /nfs/dbraw/zinc/24/76/85/800247685.db2.gz ASKAMFXZWRQDNG-UHFFFAOYSA-N 0 1 274.389 3.017 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722319459 800313338 /nfs/dbraw/zinc/31/33/38/800313338.db2.gz JGHQKGKQWINXQN-ZFWWWQNUSA-N 0 1 281.783 3.093 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723650696 800334800 /nfs/dbraw/zinc/33/48/00/800334800.db2.gz NEMVEMGLJWSBGN-TYNCELHUSA-N 0 1 295.810 3.340 20 10 CGCDMN CCn1ccc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC001118008079 802519074 /nfs/dbraw/zinc/51/90/74/802519074.db2.gz XSYMTEFGGAVTMU-JSGCOSHPSA-N 0 1 285.391 3.255 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC001118640659 802591284 /nfs/dbraw/zinc/59/12/84/802591284.db2.gz NEIFPTAZZOETDQ-QWHCGFSZSA-N 0 1 296.208 3.433 20 10 CGCDMN COc1ncc(CN(C)Cc2ccc(N(C)C)cc2)cc1C ZINC001137008167 803671600 /nfs/dbraw/zinc/67/16/00/803671600.db2.gz RLKMMCNEERGJAW-UHFFFAOYSA-N 0 1 299.418 3.097 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2F)CCC1(F)F ZINC001137831909 803778195 /nfs/dbraw/zinc/77/81/95/803778195.db2.gz RWJDBKWYFGXNIW-SECBINFHSA-N 0 1 259.271 3.008 20 10 CGCDMN Cc1cc(CN2CCOC3(CC3)C2)c(C)n1-c1ccccc1 ZINC001137859304 803788310 /nfs/dbraw/zinc/78/83/10/803788310.db2.gz SFSWTIROXQLLHF-UHFFFAOYSA-N 0 1 296.414 3.459 20 10 CGCDMN c1cc(N2CCCCC2)ccc1CN1CCOC2(CC2)C1 ZINC001138222135 803874000 /nfs/dbraw/zinc/87/40/00/803874000.db2.gz IAADJKQIFZFBSI-UHFFFAOYSA-N 0 1 286.419 3.042 20 10 CGCDMN Cc1c(CN2CCOCC23CCC3)c2ccccc2n1C ZINC001138257931 803884409 /nfs/dbraw/zinc/88/44/09/803884409.db2.gz DRTNVMCNAWNLDQ-UHFFFAOYSA-N 0 1 284.403 3.242 20 10 CGCDMN Cc1cnc2c(c1)CN(Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001139673533 804248640 /nfs/dbraw/zinc/24/86/40/804248640.db2.gz JJFWNAAACYBIPK-UHFFFAOYSA-N 0 1 295.430 3.323 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001139683053 804251401 /nfs/dbraw/zinc/25/14/01/804251401.db2.gz HELHMEVUTRCUEB-LLVKDONJSA-N 0 1 290.313 3.055 20 10 CGCDMN C[C@@H]1CCCC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685676 804252643 /nfs/dbraw/zinc/25/26/43/804252643.db2.gz SJUYMDGXNWQJIZ-SNVBAGLBSA-N 0 1 255.308 3.292 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC2CCC1CC2 ZINC001140466194 804443852 /nfs/dbraw/zinc/44/38/52/804443852.db2.gz ASYNCAAWPIEGIF-UHFFFAOYSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC2CCC1CC2 ZINC001140466194 804443855 /nfs/dbraw/zinc/44/38/55/804443855.db2.gz ASYNCAAWPIEGIF-UHFFFAOYSA-N 0 1 251.757 3.420 20 10 CGCDMN CC1(C)C[N@H+](Cc2ccc(Cl)cc2[O-])CCCO1 ZINC001140466236 804444356 /nfs/dbraw/zinc/44/43/56/804444356.db2.gz CDWMAXUVAYJIMT-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN CC1(C)C[N@@H+](Cc2ccc(Cl)cc2[O-])CCCO1 ZINC001140466236 804444360 /nfs/dbraw/zinc/44/43/60/804444360.db2.gz CDWMAXUVAYJIMT-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN COCC[N@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248880277 805030320 /nfs/dbraw/zinc/03/03/20/805030320.db2.gz HZUBATLXYCHQAY-UHFFFAOYSA-N 0 1 285.815 3.421 20 10 CGCDMN COCC[N@@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248880277 805030330 /nfs/dbraw/zinc/03/03/30/805030330.db2.gz 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ZQIMVSWPUFZOPM-INIZCTEOSA-N 0 1 285.391 3.459 20 10 CGCDMN Cc1noc(C)c1C(C)(C)NCc1ccc(N(C)C)cc1 ZINC000285586427 380151047 /nfs/dbraw/zinc/15/10/47/380151047.db2.gz VORBUSHDYCGBRQ-UHFFFAOYSA-N 0 1 287.407 3.382 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271360995 393248599 /nfs/dbraw/zinc/24/85/99/393248599.db2.gz NFYXPLLMCGDSOJ-DJIMGWMZSA-N 0 1 289.419 3.418 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271360995 393248608 /nfs/dbraw/zinc/24/86/08/393248608.db2.gz NFYXPLLMCGDSOJ-DJIMGWMZSA-N 0 1 289.419 3.418 20 10 CGCDMN CC[C@H]([NH2+]C1CC1)c1cc(Br)ccc1[O-] ZINC000022210896 171373580 /nfs/dbraw/zinc/37/35/80/171373580.db2.gz DMAAZUBPAKVORO-NSHDSACASA-N 0 1 270.170 3.358 20 10 CGCDMN COC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000186153412 262081965 /nfs/dbraw/zinc/08/19/65/262081965.db2.gz UZNHGQPEQKZDOV-NOZJJQNGSA-N 0 1 269.772 3.121 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000370582514 267329417 /nfs/dbraw/zinc/32/94/17/267329417.db2.gz FQJWJZKCJHEHME-OAHLLOKOSA-N 0 1 295.810 3.485 20 10 CGCDMN C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(F)ccc1[O-] ZINC000278955581 328232127 /nfs/dbraw/zinc/23/21/27/328232127.db2.gz ZSCGSSSHZKQGCX-LBPRGKRZSA-N 0 1 293.382 3.125 20 10 CGCDMN C[C@@H](N[C@@H](C)c1ncccc1F)c1ccccc1O ZINC000528035886 330302757 /nfs/dbraw/zinc/30/27/57/330302757.db2.gz MUWWMGQMCDNGMB-MNOVXSKESA-N 0 1 260.312 3.338 20 10 CGCDMN CC(C)COC[C@H](NCc1ccccc1O)c1ccco1 ZINC000236630070 519757459 /nfs/dbraw/zinc/75/74/59/519757459.db2.gz WPUOUGLEPFUTGE-HNNXBMFYSA-N 0 1 289.375 3.489 20 10 CGCDMN CCOC1CC(CC[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000276655630 521644745 /nfs/dbraw/zinc/64/47/45/521644745.db2.gz IXWIYVAZKRWXGC-UHFFFAOYSA-N 0 1 283.799 3.340 20 10 CGCDMN COCc1ccccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000083551665 523102753 /nfs/dbraw/zinc/10/27/53/523102753.db2.gz SXLQIBUTKOSMOK-UHFFFAOYSA-N 0 1 291.778 3.482 20 10 CGCDMN Cc1ccc2nc(CNCc3cc(C)c(C)cc3O)cn2c1 ZINC000266188048 526249176 /nfs/dbraw/zinc/24/91/76/526249176.db2.gz HWIJFFXLKPCRNV-UHFFFAOYSA-N 0 1 295.386 3.255 20 10 CGCDMN Oc1ccc(-c2ccccc2)cc1CNCc1ncc[nH]1 ZINC000741160281 572486091 /nfs/dbraw/zinc/48/60/91/572486091.db2.gz OBMPIOARWRRQLX-UHFFFAOYSA-N 0 1 279.343 3.072 20 10 CGCDMN C[C@@H](O)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000733325662 572556206 /nfs/dbraw/zinc/55/62/06/572556206.db2.gz RWHHVEXSSRPTML-LLVKDONJSA-N 0 1 291.778 3.389 20 10 CGCDMN O=C([O-])CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000086754756 618072912 /nfs/dbraw/zinc/07/29/12/618072912.db2.gz GWNXNIYTSKZUMG-CYBMUJFWSA-N 0 1 297.782 3.265 20 10 CGCDMN COc1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000083551166 618009873 /nfs/dbraw/zinc/00/98/73/618009873.db2.gz RPNLPIRCUFIYFV-UHFFFAOYSA-N 0 1 291.778 3.387 20 10 CGCDMN CN(Cc1ccco1)Cc1cc(Br)ccc1O ZINC000162131972 618740019 /nfs/dbraw/zinc/74/00/19/618740019.db2.gz ICFGTVSPDCAZFO-UHFFFAOYSA-N 0 1 296.164 3.380 20 10 CGCDMN Cc1cc(O)c(CNCc2cccc(C)n2)c(Cl)c1 ZINC000840879639 618805529 /nfs/dbraw/zinc/80/55/29/618805529.db2.gz FPALRXRHGHVOMF-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H](C)C1 ZINC000226609229 619277251 /nfs/dbraw/zinc/27/72/51/619277251.db2.gz HCIGBXYYUCDEAD-SUNKGSAMSA-N 0 1 251.345 3.446 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c(Cl)c1 ZINC000840965061 619285055 /nfs/dbraw/zinc/28/50/55/619285055.db2.gz ZZBODYBJLSCWSL-SRVKXCTJSA-N 0 1 283.799 3.257 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c(Cl)c1 ZINC000840965068 619285087 /nfs/dbraw/zinc/28/50/87/619285087.db2.gz ZZBODYBJLSCWSL-WOPDTQHZSA-N 0 1 283.799 3.257 20 10 CGCDMN COc1cc(C)cc(CNc2ccc3c(n2)CCC3)c1O ZINC000894918872 619683179 /nfs/dbraw/zinc/68/31/79/619683179.db2.gz XNIJVEJJFMHHQS-UHFFFAOYSA-N 0 1 284.359 3.205 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000895581600 619856125 /nfs/dbraw/zinc/85/61/25/619856125.db2.gz CDQDQCLULGNUAX-JTQLQIEISA-N 0 1 294.807 3.492 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000895581600 619856127 /nfs/dbraw/zinc/85/61/27/619856127.db2.gz CDQDQCLULGNUAX-JTQLQIEISA-N 0 1 294.807 3.492 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1Cl ZINC000896410143 620002989 /nfs/dbraw/zinc/00/29/89/620002989.db2.gz YHQPVEVNMXBJHC-HIFRSBDPSA-N 0 1 281.783 3.011 20 10 CGCDMN Cc1cccc(CN2CCS[C@H](C(F)(F)F)C2)c1O ZINC000896455957 620011650 /nfs/dbraw/zinc/01/16/50/620011650.db2.gz LYYOLUPRXPGZLL-NSHDSACASA-N 0 1 291.338 3.180 20 10 CGCDMN COc1ccc(CN[C@H](C)c2c(C)noc2C)cc1C ZINC000073007531 625407589 /nfs/dbraw/zinc/40/75/89/625407589.db2.gz XCROHWFFRDHTJP-LLVKDONJSA-N 0 1 274.364 3.459 20 10 CGCDMN CO[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841759557 620406218 /nfs/dbraw/zinc/40/62/18/620406218.db2.gz ZTZLCDHFRGOQBM-YMTOWFKASA-N 0 1 269.772 3.121 20 10 CGCDMN C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc2ccccc2c1[O-] ZINC000841760026 620406614 /nfs/dbraw/zinc/40/66/14/620406614.db2.gz RJMLEGONJOAMOC-PLQHRBFRSA-N 0 1 271.360 3.109 20 10 CGCDMN CC[C@H]([NH2+]CC1(N)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000902407181 621293031 /nfs/dbraw/zinc/29/30/31/621293031.db2.gz PZJAOZTYWTVRIZ-NSHDSACASA-N 0 1 289.206 3.231 20 10 CGCDMN Cc1[nH+]c(N[C@H](C)c2ccc(N(C)C)cc2)ccc1C(=O)[O-] ZINC000910300223 622472468 /nfs/dbraw/zinc/47/24/68/622472468.db2.gz RZAHPLGMUXUQDD-LLVKDONJSA-N 0 1 299.374 3.327 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+]CCC(F)(F)F ZINC000164948720 622851760 /nfs/dbraw/zinc/85/17/60/622851760.db2.gz ULYRMEXDYYTBOA-UHFFFAOYSA-N 0 1 298.102 3.197 20 10 CGCDMN CC1(C)C[NH+](Cc2c([O-])cccc2Cl)CC(C)(C)O1 ZINC000226455341 622972301 /nfs/dbraw/zinc/97/23/01/622972301.db2.gz QNMBMRXELQCMTI-UHFFFAOYSA-N 0 1 283.799 3.435 20 10 CGCDMN CC1(C)CN(Cc2c(O)cccc2Cl)CC(C)(C)O1 ZINC000226455341 622972306 /nfs/dbraw/zinc/97/23/06/622972306.db2.gz QNMBMRXELQCMTI-UHFFFAOYSA-N 0 1 283.799 3.435 20 10 CGCDMN C[C@H]1CC([NH2+]Cc2cc(F)ccc2[O-])C[C@H](C)C1 ZINC000226610394 622986583 /nfs/dbraw/zinc/98/65/83/622986583.db2.gz RTQGGZRLYHXBQT-GHMZBOCLSA-N 0 1 251.345 3.446 20 10 CGCDMN Cc1ncc(CN(C)Cc2cccc(C)c2O)s1 ZINC000179790382 624684727 /nfs/dbraw/zinc/68/47/27/624684727.db2.gz ILHVNBDAZVTAKL-UHFFFAOYSA-N 0 1 262.378 3.098 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCCC1 ZINC000179797305 624685812 /nfs/dbraw/zinc/68/58/12/624685812.db2.gz VTFBFRPOZJQSQO-UHFFFAOYSA-N 0 1 284.743 3.328 20 10 CGCDMN CN(Cc1ccc(F)c(F)c1)Cc1cc(F)ccc1O ZINC000179927837 624699391 /nfs/dbraw/zinc/69/93/91/624699391.db2.gz DAKHULOGPVXCOD-UHFFFAOYSA-N 0 1 281.277 3.442 20 10 CGCDMN CCc1ccc([C@H](COC)NCc2cccc(C)c2O)o1 ZINC000182223924 624960166 /nfs/dbraw/zinc/96/01/66/624960166.db2.gz SFLCODHZHUIBPQ-HNNXBMFYSA-N 0 1 289.375 3.333 20 10 CGCDMN COCC1(C)C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000839145538 626317009 /nfs/dbraw/zinc/31/70/09/626317009.db2.gz NGCNJPJDKHXLMF-UHFFFAOYSA-N 0 1 290.190 3.167 20 10 CGCDMN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000839147561 626317053 /nfs/dbraw/zinc/31/70/53/626317053.db2.gz NASUEGLDKFRULA-BETUJISGSA-N 0 1 269.772 3.091 20 10 CGCDMN C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000754882377 626592449 /nfs/dbraw/zinc/59/24/49/626592449.db2.gz LLQCTAJSQXJOGL-LBPRGKRZSA-N 0 1 288.416 3.268 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000754882377 626592450 /nfs/dbraw/zinc/59/24/50/626592450.db2.gz LLQCTAJSQXJOGL-LBPRGKRZSA-N 0 1 288.416 3.268 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000756554009 626714564 /nfs/dbraw/zinc/71/45/64/626714564.db2.gz NQDAXOFIEFSDBD-FZMZJTMJSA-N 0 1 294.826 3.181 20 10 CGCDMN C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756606191 626719744 /nfs/dbraw/zinc/71/97/44/626719744.db2.gz WMLCRTVAHVDULL-MRBYEJRBSA-N 0 1 281.371 3.076 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cc(F)cc(F)c1[O-] ZINC000756757911 626730104 /nfs/dbraw/zinc/73/01/04/626730104.db2.gz DQYSFCRZYKIOGM-SDBXPKJASA-N 0 1 293.317 3.122 20 10 CGCDMN Cc1ccc([C@@H](C)NCc2ncccc2F)c(O)c1 ZINC000756768109 626730443 /nfs/dbraw/zinc/73/04/43/626730443.db2.gz JPRDQGSSPUPEJB-LLVKDONJSA-N 0 1 260.312 3.086 20 10 CGCDMN Cc1cc(CN2CCO[C@@H](C3CCC3)C2)ccc1N(C)C ZINC000839623503 626767848 /nfs/dbraw/zinc/76/78/48/626767848.db2.gz FEGNKZUYLIUEPQ-GOSISDBHSA-N 0 1 288.435 3.062 20 10 CGCDMN COc1cc(Cl)cc(CN(C)Cc2ccoc2)c1O ZINC000761192611 627024303 /nfs/dbraw/zinc/02/43/03/627024303.db2.gz UQCYKYWAXODEOF-UHFFFAOYSA-N 0 1 281.739 3.279 20 10 CGCDMN COc1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000765781210 627270079 /nfs/dbraw/zinc/27/00/79/627270079.db2.gz VPDXKOYDTIHKRX-CYBMUJFWSA-N 0 1 285.391 3.007 20 10 CGCDMN Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](C)C2)cc1C(C)C ZINC000125080560 634566108 /nfs/dbraw/zinc/56/61/08/634566108.db2.gz IKRVIZPVVNJUOV-OKILXGFUSA-N 0 1 277.408 3.433 20 10 CGCDMN CCC(CC)C[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439719 627479601 /nfs/dbraw/zinc/47/96/01/627479601.db2.gz MSWLKCBGXDJQDK-MRXNPFEDSA-N 0 1 293.407 3.076 20 10 CGCDMN CCC(CC)C[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439719 627479607 /nfs/dbraw/zinc/47/96/07/627479607.db2.gz MSWLKCBGXDJQDK-MRXNPFEDSA-N 0 1 293.407 3.076 20 10 CGCDMN CN(C)c1ccc(CN2CCc3ccc(O)cc3C2)cc1 ZINC000768869275 627504812 /nfs/dbraw/zinc/50/48/12/627504812.db2.gz SSUBUUDYRSMOGC-UHFFFAOYSA-N 0 1 282.387 3.017 20 10 CGCDMN COc1cccc(O)c1CN(Cc1ccccn1)C(C)C ZINC000768927606 627509676 /nfs/dbraw/zinc/50/96/76/627509676.db2.gz ZFQGMOOTMBQVPC-UHFFFAOYSA-N 0 1 286.375 3.206 20 10 CGCDMN CCN(CC)c1ccc(CN2CCO[C@H](C)[C@@H]2C)cc1 ZINC000769421596 627550973 /nfs/dbraw/zinc/55/09/73/627550973.db2.gz AXXHNBGPTIACPV-LSDHHAIUSA-N 0 1 276.424 3.142 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000770371942 627615532 /nfs/dbraw/zinc/61/55/32/627615532.db2.gz CVUZBJLOOAXMHU-STQMWFEESA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000770371942 627615535 /nfs/dbraw/zinc/61/55/35/627615535.db2.gz CVUZBJLOOAXMHU-STQMWFEESA-N 0 1 295.810 3.294 20 10 CGCDMN CCC[C@@H]1CN(Cc2ccc(N(C)CC)cc2)CCO1 ZINC000773804745 627916865 /nfs/dbraw/zinc/91/68/65/627916865.db2.gz DKIZMXTZTFQXFR-QGZVFWFLSA-N 0 1 276.424 3.144 20 10 CGCDMN C[C@@H](NCc1ccn(-c2ccccc2)n1)c1ccccc1O ZINC000775131829 628066385 /nfs/dbraw/zinc/06/63/85/628066385.db2.gz WPWOJDQGHHCTTF-CQSZACIVSA-N 0 1 293.370 3.429 20 10 CGCDMN CC[C@H]([NH2+][C@@H](CO)CC(C)C)c1cc(Cl)ccc1[O-] ZINC000775492214 628100138 /nfs/dbraw/zinc/10/01/38/628100138.db2.gz NLVSDYVQBZJPIK-OCCSQVGLSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775503592 628101646 /nfs/dbraw/zinc/10/16/46/628101646.db2.gz KEYZJDCZOZXPRB-DZGCQCFKSA-N 0 1 283.799 3.247 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000775503733 628101901 /nfs/dbraw/zinc/10/19/01/628101901.db2.gz NIUQIJWPFXJTCG-GUTXKFCHSA-N 0 1 283.799 3.390 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000775649215 628119392 /nfs/dbraw/zinc/11/93/92/628119392.db2.gz MSRRABACCOMOBD-JTQLQIEISA-N 0 1 299.773 3.186 20 10 CGCDMN COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775689752 628126629 /nfs/dbraw/zinc/12/66/29/628126629.db2.gz IHMIMHFRPKMAOQ-SNVBAGLBSA-N 0 1 287.762 3.043 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cc(Cl)ccc1[O-] ZINC000779063581 628386057 /nfs/dbraw/zinc/38/60/57/628386057.db2.gz HBYYUXJYUIAHFQ-YUTCNCBUSA-N 0 1 283.799 3.246 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC=CCC2)c1 ZINC000781919550 628605167 /nfs/dbraw/zinc/60/51/67/628605167.db2.gz CJJUTTUXEDGABX-UHFFFAOYSA-N 0 1 282.181 3.225 20 10 CGCDMN CO[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1C ZINC000784666969 628828193 /nfs/dbraw/zinc/82/81/93/628828193.db2.gz CNEXOBMWKOKPHT-ZANVPECISA-N 0 1 287.762 3.042 20 10 CGCDMN CCn1ccc(C[N@H+](C)Cc2c([O-])ccc3ccncc32)c1 ZINC000790447218 629211360 /nfs/dbraw/zinc/21/13/60/629211360.db2.gz PABKMWPAXRIRCR-UHFFFAOYSA-N 0 1 295.386 3.394 20 10 CGCDMN CCn1ccc(C[N@@H+](C)Cc2c([O-])ccc3ccncc32)c1 ZINC000790447218 629211366 /nfs/dbraw/zinc/21/13/66/629211366.db2.gz PABKMWPAXRIRCR-UHFFFAOYSA-N 0 1 295.386 3.394 20 10 CGCDMN C[C@H]1CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862243013 629330301 /nfs/dbraw/zinc/33/03/01/629330301.db2.gz WEXWPRCYURZVBD-JTQLQIEISA-N 0 1 254.324 3.015 20 10 CGCDMN C[C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C[C@H]1F ZINC000792174586 629345202 /nfs/dbraw/zinc/34/52/02/629345202.db2.gz YIENJFARKUSADR-GZMMTYOYSA-N 0 1 275.726 3.365 20 10 CGCDMN CC(C)C1C[NH+](Cc2c([O-])cccc2Br)C1 ZINC000862350631 629346027 /nfs/dbraw/zinc/34/60/27/629346027.db2.gz CUUOXVBMYWRTIM-UHFFFAOYSA-N 0 1 284.197 3.243 20 10 CGCDMN COC[C@H]1CCCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862390128 629359539 /nfs/dbraw/zinc/35/95/39/629359539.db2.gz BDNURPLQWAWBAR-CYBMUJFWSA-N 0 1 298.377 3.032 20 10 CGCDMN CCOc1cccc(CN2CCc3c(O)cccc3C2)c1O ZINC000862530305 629391951 /nfs/dbraw/zinc/39/19/51/629391951.db2.gz ZCXQBKMUNPIPBS-UHFFFAOYSA-N 0 1 299.370 3.055 20 10 CGCDMN CO[C@H]1C[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000862547334 629397902 /nfs/dbraw/zinc/39/79/02/629397902.db2.gz BXNMRCCIWPBOEQ-JNSHFYNHSA-N 0 1 271.360 3.060 20 10 CGCDMN Cc1cc(Br)cc(CN2[C@@H](C)C[C@@H]2C)c1O ZINC000793221648 629427483 /nfs/dbraw/zinc/42/74/83/629427483.db2.gz YKGDSXRWGVLHDX-UWVGGRQHSA-N 0 1 284.197 3.446 20 10 CGCDMN Cc1cc(Cl)cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)c1O ZINC000793214783 629429023 /nfs/dbraw/zinc/42/90/23/629429023.db2.gz RGJVOSSYDDCOBZ-ABAIWWIYSA-N 0 1 295.810 3.353 20 10 CGCDMN C[C@@H]1C[C@@H](C)N1Cc1cc(Br)ccc1O ZINC000793219950 629430244 /nfs/dbraw/zinc/43/02/44/629430244.db2.gz ILTYPCUGJKZCBW-RKDXNWHRSA-N 0 1 270.170 3.137 20 10 CGCDMN CC[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000798965470 630131565 /nfs/dbraw/zinc/13/15/65/630131565.db2.gz YBDKOJUHNIWMKB-JTQLQIEISA-N 0 1 287.762 3.186 20 10 CGCDMN COc1cc(CN2CCC[C@](C)(F)C2)c(O)cc1C ZINC000840097804 630592059 /nfs/dbraw/zinc/59/20/59/630592059.db2.gz DSXCYUAWWYTYQL-HNNXBMFYSA-N 0 1 267.344 3.033 20 10 CGCDMN Cc1ccc(CN2CCn3cccc3[C@H]2C)c(O)c1 ZINC000876531518 634851989 /nfs/dbraw/zinc/85/19/89/634851989.db2.gz IIUYWGQQDZLNSI-CYBMUJFWSA-N 0 1 256.349 3.079 20 10 CGCDMN C[C@@H](CF)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000814299620 631569777 /nfs/dbraw/zinc/56/97/77/631569777.db2.gz AIKNTCYGMPOEBA-LBPRGKRZSA-N 0 1 295.358 3.033 20 10 CGCDMN Oc1ccccc1CNCc1c(F)cc(F)cc1F ZINC000815151230 631731504 /nfs/dbraw/zinc/73/15/04/631731504.db2.gz CPSVGDQZGUEWAG-UHFFFAOYSA-N 0 1 267.250 3.099 20 10 CGCDMN CCO[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816477591 631987486 /nfs/dbraw/zinc/98/74/86/631987486.db2.gz CSYFLLBWXZLUHX-NSHDSACASA-N 0 1 287.762 3.186 20 10 CGCDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCCCO1 ZINC000816496019 631994482 /nfs/dbraw/zinc/99/44/82/631994482.db2.gz SNCQIGFPJAULIZ-NSHDSACASA-N 0 1 287.762 3.186 20 10 CGCDMN CC(C)C[C@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816543813 632006922 /nfs/dbraw/zinc/00/69/22/632006922.db2.gz OVKYZMLXZKMKKA-HNNXBMFYSA-N 0 1 273.376 3.042 20 10 CGCDMN C[C@H](N[C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942156 632240465 /nfs/dbraw/zinc/24/04/65/632240465.db2.gz XMEFISKATSTVIL-IUCAKERBSA-N 0 1 289.206 3.102 20 10 CGCDMN O=[N+]([O-])c1ccc(O)cc1CSc1nccs1 ZINC000821077860 632722690 /nfs/dbraw/zinc/72/26/90/632722690.db2.gz BNSVJDDXKACBOC-UHFFFAOYSA-N 0 1 268.319 3.049 20 10 CGCDMN Oc1ccc(F)cc1CN[C@H]1C[C@@]1(F)c1ccccc1 ZINC000822497950 632948303 /nfs/dbraw/zinc/94/83/03/632948303.db2.gz PFPBRGVJQXUIJF-JKSUJKDBSA-N 0 1 275.298 3.258 20 10 CGCDMN COc1ccc(O)c(CN[C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000822497823 632949025 /nfs/dbraw/zinc/94/90/25/632949025.db2.gz MCHHHNFRGWZJKQ-DLBZAZTESA-N 0 1 287.334 3.128 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(Cl)ccc1[O-] ZINC000866634778 633223611 /nfs/dbraw/zinc/22/36/11/633223611.db2.gz ULEDKCQDHXGARO-ZWNOBZJWSA-N 0 1 291.782 3.428 20 10 CGCDMN CC[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)F ZINC000824508148 633251299 /nfs/dbraw/zinc/25/12/99/633251299.db2.gz ATGODZIPAXWQNI-QMMMGPOBSA-N 0 1 294.685 3.087 20 10 CGCDMN CCn1cc(CN(C)Cc2cc(Cl)c(C)cc2O)cn1 ZINC000824818101 633295902 /nfs/dbraw/zinc/29/59/02/633295902.db2.gz GMVZLGKFBIHVTE-UHFFFAOYSA-N 0 1 293.798 3.202 20 10 CGCDMN C[C@H]1C[C@@H](NCc2cc(Cl)ccc2O)c2nccn21 ZINC000825017516 633318988 /nfs/dbraw/zinc/31/89/88/633318988.db2.gz TVSJNYXYHGXITN-JOYOIKCWSA-N 0 1 277.755 3.038 20 10 CGCDMN CCc1ncc(CNCc2cc(Cl)cc(C)c2O)o1 ZINC000825078764 633326273 /nfs/dbraw/zinc/32/62/73/633326273.db2.gz COFYXILRNFCKIN-UHFFFAOYSA-N 0 1 280.755 3.194 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825134289 633331791 /nfs/dbraw/zinc/33/17/91/633331791.db2.gz XZWFTCFKCDBMKG-HNNXBMFYSA-N 0 1 299.773 3.187 20 10 CGCDMN COC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000825293962 633342517 /nfs/dbraw/zinc/34/25/17/633342517.db2.gz FXCJSAKZBUDGBR-LLVKDONJSA-N 0 1 287.762 3.186 20 10 CGCDMN CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCCO1 ZINC000825390199 633351919 /nfs/dbraw/zinc/35/19/19/633351919.db2.gz CHZHTAZLFBQMEL-ZFWWWQNUSA-N 0 1 283.799 3.401 20 10 CGCDMN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825406664 633353252 /nfs/dbraw/zinc/35/32/52/633353252.db2.gz WQRIOCHAFALSRV-IAQYHMDHSA-N 0 1 283.799 3.259 20 10 CGCDMN CO[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825489237 633357355 /nfs/dbraw/zinc/35/73/55/633357355.db2.gz FXVKDYNYTUIQEK-ZDUSSCGKSA-N 0 1 283.799 3.355 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825489237 633357357 /nfs/dbraw/zinc/35/73/57/633357357.db2.gz FXVKDYNYTUIQEK-ZDUSSCGKSA-N 0 1 283.799 3.355 20 10 CGCDMN CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825505264 633359442 /nfs/dbraw/zinc/35/94/42/633359442.db2.gz VCYVVLCBXSTIPZ-HNNXBMFYSA-N 0 1 299.798 3.175 20 10 CGCDMN CC[C@@H]1CC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825992162 633394830 /nfs/dbraw/zinc/39/48/30/633394830.db2.gz SMJZMBZOJJYEMR-LLVKDONJSA-N 0 1 270.170 3.139 20 10 CGCDMN CC[C@@H]1CC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825992162 633394832 /nfs/dbraw/zinc/39/48/32/633394832.db2.gz SMJZMBZOJJYEMR-LLVKDONJSA-N 0 1 270.170 3.139 20 10 CGCDMN CC[C@@H]1CCN1Cc1ccc(Br)cc1O ZINC000825992162 633394833 /nfs/dbraw/zinc/39/48/33/633394833.db2.gz SMJZMBZOJJYEMR-LLVKDONJSA-N 0 1 270.170 3.139 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@@H](C)OC ZINC000825955086 633391554 /nfs/dbraw/zinc/39/15/54/633391554.db2.gz FWBUTGHZDCXBRL-LLVKDONJSA-N 0 1 271.788 3.211 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@@H](C)OC ZINC000825955086 633391559 /nfs/dbraw/zinc/39/15/59/633391559.db2.gz FWBUTGHZDCXBRL-LLVKDONJSA-N 0 1 271.788 3.211 20 10 CGCDMN CCn1cc([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])cn1 ZINC000826097273 633405153 /nfs/dbraw/zinc/40/51/53/633405153.db2.gz WURUGICCXYUDHB-LLVKDONJSA-N 0 1 293.798 3.421 20 10 CGCDMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000827017842 633448742 /nfs/dbraw/zinc/44/87/42/633448742.db2.gz MNYPEGCGIOHLPT-GASCZTMLSA-N 0 1 299.773 3.043 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000827371465 633486008 /nfs/dbraw/zinc/48/60/08/633486008.db2.gz VLKPPKSBNCHPHV-NEPJUHHUSA-N 0 1 283.799 3.353 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000827371465 633486012 /nfs/dbraw/zinc/48/60/12/633486012.db2.gz VLKPPKSBNCHPHV-NEPJUHHUSA-N 0 1 283.799 3.353 20 10 CGCDMN C[C@@H](O)[C@H]([NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000827856835 633525346 /nfs/dbraw/zinc/52/53/46/633525346.db2.gz TWUSSYXFZPEWCI-BZNIZROVSA-N 0 1 291.778 3.257 20 10 CGCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1cc(O)ccc1F ZINC000872017496 633937905 /nfs/dbraw/zinc/93/79/05/633937905.db2.gz ATRVSCXLXNXWPB-GFCCVEGCSA-N 0 1 288.366 3.448 20 10 CGCDMN CCc1nnc(NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000834478797 634172622 /nfs/dbraw/zinc/17/26/22/634172622.db2.gz XDTPPLIUWBKKHE-UHFFFAOYSA-N 0 1 288.134 3.257 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN[C@H]1C[C@H](C)n2ccnc21 ZINC000834588395 634191487 /nfs/dbraw/zinc/19/14/87/634191487.db2.gz BMSRWNLOXMBBNQ-BBRMVZONSA-N 0 1 284.407 3.053 20 10 CGCDMN Cc1cc(C)c([C@@H](C)N[C@H]2CCn3ccnc32)c(O)c1 ZINC000834831071 634252106 /nfs/dbraw/zinc/25/21/06/634252106.db2.gz HUUJFJXHQDXVQC-OLZOCXBDSA-N 0 1 271.364 3.001 20 10 CGCDMN CCn1ccnc1[C@H](C)N[C@@H](C)c1ccc(C)cc1O ZINC000834896109 634273470 /nfs/dbraw/zinc/27/34/70/634273470.db2.gz UQCLXWGABYYASF-STQMWFEESA-N 0 1 273.380 3.329 20 10 CGCDMN CCCc1ncc(CN[C@H](C)c2ccc(C)cc2O)o1 ZINC000834898495 634274175 /nfs/dbraw/zinc/27/41/75/634274175.db2.gz FGAZWQPTUDMLKU-GFCCVEGCSA-N 0 1 274.364 3.492 20 10 CGCDMN CC[C@H](NCc1ccc(C)cc1O)c1nccs1 ZINC000877053088 634964937 /nfs/dbraw/zinc/96/49/37/634964937.db2.gz CFCLFYZICLSKNZ-LBPRGKRZSA-N 0 1 262.378 3.398 20 10 CGCDMN Cc1nc(CNCc2c(C)cccc2O)sc1C ZINC000877064247 634968226 /nfs/dbraw/zinc/96/82/26/634968226.db2.gz OXMAVCKOEJYADI-UHFFFAOYSA-N 0 1 262.378 3.064 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@H]2C2CCOCC2)ccc(F)c1F ZINC000877140576 634999908 /nfs/dbraw/zinc/99/99/08/634999908.db2.gz WOLBVXVJERIJSL-AWEZNQCLSA-N 0 1 297.345 3.061 20 10 CGCDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877486034 635056270 /nfs/dbraw/zinc/05/62/70/635056270.db2.gz CLPNSUHTKFRPHH-CBAPKCEASA-N 0 1 295.251 3.443 20 10 CGCDMN Cc1ccc(CN[C@@H](C)c2c(F)cncc2F)c(O)c1 ZINC000877520572 635069926 /nfs/dbraw/zinc/06/99/26/635069926.db2.gz BLSGLCFEIUMXSX-JTQLQIEISA-N 0 1 278.302 3.225 20 10 CGCDMN Cc1n[nH]cc1CCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840875229 635070521 /nfs/dbraw/zinc/07/05/21/635070521.db2.gz KJJAALXGDGAGTD-UHFFFAOYSA-N 0 1 293.798 3.108 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@H](O)C(C)C ZINC000840882126 635073653 /nfs/dbraw/zinc/07/36/53/635073653.db2.gz MKWAMVRJFRQNTP-XEGUGMAKSA-N 0 1 285.815 3.492 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](CO)C2)c2c1c(F)ccc2[O-] ZINC000840894985 635078384 /nfs/dbraw/zinc/07/83/84/635078384.db2.gz GPYDQUXRCPYGLQ-NMKXLXIOSA-N 0 1 293.382 3.220 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccncc2)c(Cl)c1 ZINC000840905741 635079062 /nfs/dbraw/zinc/07/90/62/635079062.db2.gz AEFAQQQMVXVOAL-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC3(C2)CCOCC3)c(Cl)c1 ZINC000840923476 635083135 /nfs/dbraw/zinc/08/31/35/635083135.db2.gz USVUXRWTBOJOAJ-UHFFFAOYSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC3(C2)CCOCC3)c(Cl)c1 ZINC000840923476 635083139 /nfs/dbraw/zinc/08/31/39/635083139.db2.gz USVUXRWTBOJOAJ-UHFFFAOYSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC3(C2)CCOCC3)c(Cl)c1 ZINC000840923476 635083144 /nfs/dbraw/zinc/08/31/44/635083144.db2.gz USVUXRWTBOJOAJ-UHFFFAOYSA-N 0 1 295.810 3.357 20 10 CGCDMN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840940055 635087171 /nfs/dbraw/zinc/08/71/71/635087171.db2.gz UVKQNKVONQLHMR-UHFFFAOYSA-N 0 1 299.418 3.097 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H]2C(F)F)c(Cl)c1 ZINC000840946818 635089687 /nfs/dbraw/zinc/08/96/87/635089687.db2.gz VNGIVQOFNQNOKG-XVKPBYJWSA-N 0 1 261.699 3.097 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCC(C)(F)F)c(Cl)c1 ZINC000840949626 635090302 /nfs/dbraw/zinc/09/03/02/635090302.db2.gz ZWVJNJZECLXWDB-UHFFFAOYSA-N 0 1 263.715 3.489 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@@H](C2CCC2)C1 ZINC000840955459 635093190 /nfs/dbraw/zinc/09/31/90/635093190.db2.gz VCXHJAQNRVXDBS-CQSZACIVSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@]3(CCSC3)C2)ccc(F)c1F ZINC000877575029 635098918 /nfs/dbraw/zinc/09/89/18/635098918.db2.gz DCDFJLDZVBEDRK-OAHLLOKOSA-N 0 1 299.386 3.390 20 10 CGCDMN CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744199 635222342 /nfs/dbraw/zinc/22/23/42/635222342.db2.gz FTWNQOVUVUUERE-JQWIXIFHSA-N 0 1 271.788 3.103 20 10 CGCDMN CO[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000841749874 635225206 /nfs/dbraw/zinc/22/52/06/635225206.db2.gz IUGMVGWHBYPCEX-HQJQHLMTSA-N 0 1 297.704 3.274 20 10 CGCDMN CO[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000841749876 635225581 /nfs/dbraw/zinc/22/55/81/635225581.db2.gz IUGMVGWHBYPCEX-WRWORJQWSA-N 0 1 297.704 3.274 20 10 CGCDMN CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757682 635231732 /nfs/dbraw/zinc/23/17/32/635231732.db2.gz FEEDCXJCFWBJOM-ZIBATOQPSA-N 0 1 285.815 3.493 20 10 CGCDMN CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757197 635231882 /nfs/dbraw/zinc/23/18/82/635231882.db2.gz BUZGFHGZCDUIOV-IINYFYTJSA-N 0 1 271.788 3.103 20 10 CGCDMN CC[C@@H]([NH2+]CC1(N(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000841761572 635233051 /nfs/dbraw/zinc/23/30/51/635233051.db2.gz HEMGHNWPQXXMTR-CYBMUJFWSA-N 0 1 282.815 3.181 20 10 CGCDMN CC1CCC(O)(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000127337004 635629332 /nfs/dbraw/zinc/62/93/32/635629332.db2.gz HMOAOAWNNNQVOV-UHFFFAOYSA-N 0 1 283.799 3.076 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000843429184 635672523 /nfs/dbraw/zinc/67/25/23/635672523.db2.gz SOXLGFKUFLUWFH-CQSZACIVSA-N 0 1 281.783 3.047 20 10 CGCDMN C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000105505013 635872131 /nfs/dbraw/zinc/87/21/31/635872131.db2.gz ZEIHHNBVRWFVSX-BXKDBHETSA-N 0 1 284.197 3.433 20 10 CGCDMN COc1ccc(CN(C)Cc2ccccc2O)c(F)c1 ZINC000845905705 636117230 /nfs/dbraw/zinc/11/72/30/636117230.db2.gz JPBHUBKFPMCWFG-UHFFFAOYSA-N 0 1 275.323 3.172 20 10 CGCDMN Cc1ccc(CCC[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000846054478 636138866 /nfs/dbraw/zinc/13/88/66/636138866.db2.gz BXLGGCBSICNWBW-UHFFFAOYSA-N 0 1 290.794 3.471 20 10 CGCDMN CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846059087 636140832 /nfs/dbraw/zinc/14/08/32/636140832.db2.gz XVXWOWBOGMNHAI-UHFFFAOYSA-N 0 1 293.798 3.356 20 10 CGCDMN COc1cccc([C@H](C)NCc2ccc(Cl)o2)c1O ZINC000846158736 636150495 /nfs/dbraw/zinc/15/04/95/636150495.db2.gz KHIUJNYEIFPQSG-VIFPVBQESA-N 0 1 281.739 3.498 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1(C2CC2)CC1 ZINC000130681225 636498934 /nfs/dbraw/zinc/49/89/34/636498934.db2.gz YHWFZIAYKYQNAQ-UHFFFAOYSA-N 0 1 251.757 3.325 20 10 CGCDMN CCCN(CC(=O)Nc1ccccc1)Cc1ccccc1O ZINC000130727979 636504991 /nfs/dbraw/zinc/50/49/91/636504991.db2.gz CKYBTIONJWAFLW-UHFFFAOYSA-N 0 1 298.386 3.243 20 10 CGCDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000086783928 636783976 /nfs/dbraw/zinc/78/39/76/636783976.db2.gz WTRZXHOQJNBSDN-HNNXBMFYSA-N 0 1 297.782 3.122 20 10 CGCDMN CCOC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000132469371 636811109 /nfs/dbraw/zinc/81/11/09/636811109.db2.gz VCPDHRXSSZRHPF-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN Cc1cc(O)c(CN[C@@H](C)c2cscn2)cc1C ZINC000850359917 637028158 /nfs/dbraw/zinc/02/81/58/637028158.db2.gz WCQBTIMJVMTLGF-NSHDSACASA-N 0 1 262.378 3.316 20 10 CGCDMN CC(C)(C)C(F)(F)C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000850410124 637053011 /nfs/dbraw/zinc/05/30/11/637053011.db2.gz NIAWYXYUHDKXMY-UHFFFAOYSA-N 0 1 288.294 3.071 20 10 CGCDMN C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850419136 637053804 /nfs/dbraw/zinc/05/38/04/637053804.db2.gz BVOVALDKPSINFT-BZNIZROVSA-N 0 1 291.778 3.257 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000850543939 637115538 /nfs/dbraw/zinc/11/55/38/637115538.db2.gz BAUUFTCKQNLIPW-SWLSCSKDSA-N 0 1 297.826 3.495 20 10 CGCDMN CCN(C)c1ccc([C@H](C)N[C@H](C)c2nccn2C)cc1 ZINC000850572963 637129689 /nfs/dbraw/zinc/12/96/89/637129689.db2.gz RJOTZDLAUGGXIU-UONOGXRCSA-N 0 1 286.423 3.288 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2cc(C3CC3)no2)c1 ZINC000851900081 637537174 /nfs/dbraw/zinc/53/71/74/637537174.db2.gz OPAAYQAFBICYEY-JTQLQIEISA-N 0 1 288.347 3.117 20 10 CGCDMN COc1ccc(OC)c(CN(C)Cc2ccccc2O)c1 ZINC000111235296 637804114 /nfs/dbraw/zinc/80/41/14/637804114.db2.gz ZYNYFUDBQFKQPP-UHFFFAOYSA-N 0 1 287.359 3.041 20 10 CGCDMN C[N@H+](Cc1c(O)ccc2ccncc21)C[C@@H]1CC1(C)C ZINC000853626628 637875484 /nfs/dbraw/zinc/87/54/84/637875484.db2.gz BYHYXIQWRJVKDH-ZDUSSCGKSA-N 0 1 270.376 3.418 20 10 CGCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@@H]1CC1(C)C ZINC000853626628 637875488 /nfs/dbraw/zinc/87/54/88/637875488.db2.gz BYHYXIQWRJVKDH-ZDUSSCGKSA-N 0 1 270.376 3.418 20 10 CGCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)C[C@@H]1CC1(C)C ZINC000853626628 637875493 /nfs/dbraw/zinc/87/54/93/637875493.db2.gz BYHYXIQWRJVKDH-ZDUSSCGKSA-N 0 1 270.376 3.418 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H]2CC2(F)F)c(Cl)c1 ZINC000856802406 638391544 /nfs/dbraw/zinc/39/15/44/638391544.db2.gz HVGLZBNDIHSPIH-SECBINFHSA-N 0 1 275.726 3.489 20 10 CGCDMN C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1cc(F)ccc1[O-] ZINC000927069844 638838133 /nfs/dbraw/zinc/83/81/33/638838133.db2.gz NJLHVGRMIKTEKW-PLQHRBFRSA-N 0 1 293.382 3.387 20 10 CGCDMN CCCOC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000859161064 639095019 /nfs/dbraw/zinc/09/50/19/639095019.db2.gz MDMVKBKRLKADJX-UHFFFAOYSA-N 0 1 278.135 3.335 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccns2)c1[O-] ZINC000860054775 639275175 /nfs/dbraw/zinc/27/51/75/639275175.db2.gz UQSNHYOJZCUPAR-MRVPVSSYSA-N 0 1 294.351 3.041 20 10 CGCDMN CC(=O)c1cc(F)cc(CN[C@H](C)c2ccns2)c1O ZINC000860054775 639275183 /nfs/dbraw/zinc/27/51/83/639275183.db2.gz UQSNHYOJZCUPAR-MRVPVSSYSA-N 0 1 294.351 3.041 20 10 CGCDMN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cncnc1 ZINC000155244320 639925351 /nfs/dbraw/zinc/92/53/51/639925351.db2.gz NMZZFFOIOAHNBU-UHFFFAOYSA-N 0 1 296.418 3.099 20 10 CGCDMN CC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000159194275 640035286 /nfs/dbraw/zinc/03/52/86/640035286.db2.gz VBKUTPKSFQOEDT-SNVBAGLBSA-N 0 1 284.197 3.387 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000159194275 640035279 /nfs/dbraw/zinc/03/52/79/640035279.db2.gz VBKUTPKSFQOEDT-SNVBAGLBSA-N 0 1 284.197 3.387 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000159194275 640035290 /nfs/dbraw/zinc/03/52/90/640035290.db2.gz VBKUTPKSFQOEDT-SNVBAGLBSA-N 0 1 284.197 3.387 20 10 CGCDMN CSCC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000076772308 640216393 /nfs/dbraw/zinc/21/63/93/640216393.db2.gz RXFVTMJCNRJLQZ-SECBINFHSA-N 0 1 259.802 3.277 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(O)CCCCCC1 ZINC000083748646 640599077 /nfs/dbraw/zinc/59/90/77/640599077.db2.gz DNEYBJBLULTZTE-UHFFFAOYSA-N 0 1 283.799 3.221 20 10 CGCDMN C[N@@H+](CCC1CC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000092067105 640730409 /nfs/dbraw/zinc/73/04/09/640730409.db2.gz JUVHZPHTICIQIP-UHFFFAOYSA-N 0 1 284.743 3.186 20 10 CGCDMN C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000252752533 640862598 /nfs/dbraw/zinc/86/25/98/640862598.db2.gz HNKJWDRGANAYJP-FRRDWIJNSA-N 0 1 273.376 3.355 20 10 CGCDMN CCN1CCCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000113341023 640975302 /nfs/dbraw/zinc/97/53/02/640975302.db2.gz KQFHMXNSCDFJHS-GFCCVEGCSA-N 0 1 282.815 3.010 20 10 CGCDMN Oc1cc(O)c(-c2nc3ccc(Cl)cc3[nH]2)cc1O ZINC001251355449 805886539 /nfs/dbraw/zinc/88/65/39/805886539.db2.gz LULXMVVSMMWQRM-UHFFFAOYSA-N 0 1 276.679 3.000 20 10 CGCDMN COC(C)(C)C[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000404306594 799575735 /nfs/dbraw/zinc/57/57/35/799575735.db2.gz KEECJAYMZIMEDX-UHFFFAOYSA-N 0 1 299.798 3.105 20 10 CGCDMN COC(C)(C)C[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000404306594 799575739 /nfs/dbraw/zinc/57/57/39/799575739.db2.gz KEECJAYMZIMEDX-UHFFFAOYSA-N 0 1 299.798 3.105 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC000694870737 799824843 /nfs/dbraw/zinc/82/48/43/799824843.db2.gz MYZYLAJUXWJPOH-MNOVXSKESA-N 0 1 269.772 3.045 20 10 CGCDMN COCc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000703284172 799922042 /nfs/dbraw/zinc/92/20/42/799922042.db2.gz CSWVWAFNAUSSDG-UHFFFAOYSA-N 0 1 279.286 3.429 20 10 CGCDMN CC[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H](CC)CO1 ZINC000703499983 799924155 /nfs/dbraw/zinc/92/41/55/799924155.db2.gz ASZXWMOXYQZXLG-RYUDHWBXSA-N 0 1 285.334 3.060 20 10 CGCDMN CC[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@@H](CC)CO1 ZINC000703499983 799924164 /nfs/dbraw/zinc/92/41/64/799924164.db2.gz ASZXWMOXYQZXLG-RYUDHWBXSA-N 0 1 285.334 3.060 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CC=CCC1 ZINC000706847080 799967278 /nfs/dbraw/zinc/96/72/78/799967278.db2.gz VJCVCWSZVBOJLK-JTQLQIEISA-N 0 1 282.181 3.353 20 10 CGCDMN C[C@@H]1CC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000706829136 799967325 /nfs/dbraw/zinc/96/73/25/799967325.db2.gz MAHNBXKSZSRDIF-LDYMZIIASA-N 0 1 270.170 3.043 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000708382645 799986873 /nfs/dbraw/zinc/98/68/73/799986873.db2.gz GNTVWRJDQIUIIU-IINYFYTJSA-N 0 1 267.319 3.435 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723996865 800350234 /nfs/dbraw/zinc/35/02/34/800350234.db2.gz PYPVGNLRAABGLX-MLGOLLRUSA-N 0 1 295.810 3.340 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])[C@@H]1CCCOC1 ZINC000724011053 800352546 /nfs/dbraw/zinc/35/25/46/800352546.db2.gz KBVJETYKMTVODV-JMSVASOKSA-N 0 1 281.371 3.387 20 10 CGCDMN CCn1ccc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3C)n1 ZINC001118008084 802519094 /nfs/dbraw/zinc/51/90/94/802519094.db2.gz XSYMTEFGGAVTMU-TZMCWYRMSA-N 0 1 285.391 3.255 20 10 CGCDMN COc1cccc(F)c1CN[C@@H](C)c1ccccc1O ZINC001120243657 802735739 /nfs/dbraw/zinc/73/57/39/802735739.db2.gz ASKVDILULUGLQT-NSHDSACASA-N 0 1 275.323 3.391 20 10 CGCDMN Cc1ccc2c(c1)C[N@H+](Cc1cccc(F)c1[O-])CC2 ZINC001138122418 803860959 /nfs/dbraw/zinc/86/09/59/803860959.db2.gz CVPXPIUCRISCPY-UHFFFAOYSA-N 0 1 271.335 3.398 20 10 CGCDMN CN1CCCc2cc(C[N@@H+](C)Cc3cccnc3)ccc21 ZINC001138354703 803900962 /nfs/dbraw/zinc/90/09/62/803900962.db2.gz QTGVAUJXHWWWHX-UHFFFAOYSA-N 0 1 281.403 3.096 20 10 CGCDMN CN(Cc1cccnc1)Cc1ccc2c(c1)CCCN2C ZINC001138354703 803900967 /nfs/dbraw/zinc/90/09/67/803900967.db2.gz QTGVAUJXHWWWHX-UHFFFAOYSA-N 0 1 281.403 3.096 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001139681226 804249640 /nfs/dbraw/zinc/24/96/40/804249640.db2.gz NAEYWOHHWUBHBG-DTORHVGOSA-N 0 1 289.272 3.148 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])[C@@H](C)C1 ZINC001139682657 804251385 /nfs/dbraw/zinc/25/13/85/804251385.db2.gz AOXNQDAMRNKLSD-UWVGGRQHSA-N 0 1 255.308 3.291 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001139685553 804252878 /nfs/dbraw/zinc/25/28/78/804252878.db2.gz NUGLNACBPDTSBN-PHIMTYICSA-N 0 1 267.319 3.292 20 10 CGCDMN CC1(C)C[NH+](Cc2c(F)ccc(F)c2[O-])CC(C)(C)O1 ZINC001139688081 804255309 /nfs/dbraw/zinc/25/53/09/804255309.db2.gz 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Cc1cc([O-])c(C[NH2+]CCC2CSC2)cc1Cl ZINC001474757315 934179358 /nfs/dbraw/zinc/17/93/58/934179358.db2.gz USCZULAWGMQGQP-UHFFFAOYSA-N 0 1 271.813 3.197 20 10 CGCDMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)C1=CC(=O)CS1 ZINC001471719723 937768715 /nfs/dbraw/zinc/76/87/15/937768715.db2.gz OVMGCQZYKTYCHL-UHFFFAOYSA-N 0 1 293.735 3.236 20 10 CGCDMN C[C@@H](CC(F)(F)F)NCc1cc(F)c(N(C)C)cc1F ZINC001331520625 935388875 /nfs/dbraw/zinc/38/88/75/935388875.db2.gz REDMUMKWYLGJJH-QMMMGPOBSA-N 0 1 296.283 3.461 20 10 CGCDMN C[N@@H+](CCc1nccs1)Cc1ccc(Cl)cc1O ZINC001474373902 937855715 /nfs/dbraw/zinc/85/57/15/937855715.db2.gz GOHXRDGAZUXTST-UHFFFAOYSA-N 0 1 282.796 3.177 20 10 CGCDMN Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2[O-])nc1C ZINC001474570291 937867801 /nfs/dbraw/zinc/86/78/01/937867801.db2.gz CPNVAHABANJQEB-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN CCNc1nc(CN[C@H](C)c2ccccc2O)cs1 ZINC001560075117 938243126 /nfs/dbraw/zinc/24/31/26/938243126.db2.gz SPWSHNOURQMCAW-SNVBAGLBSA-N 0 1 277.393 3.131 20 10 CGCDMN CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001560832986 938278183 /nfs/dbraw/zinc/27/81/83/938278183.db2.gz UZPOBBUEXACFAF-ZDUSSCGKSA-N 0 1 283.799 3.029 20 10 CGCDMN CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001560832986 938278184 /nfs/dbraw/zinc/27/81/84/938278184.db2.gz UZPOBBUEXACFAF-ZDUSSCGKSA-N 0 1 283.799 3.029 20 10 CGCDMN Nc1ccc(CN(Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC001580443479 962728245 /nfs/dbraw/zinc/72/82/45/962728245.db2.gz JYSOOMUEDYMKRG-KRWDZBQOSA-N 0 1 286.375 3.043 20 10 CGCDMN CCc1nocc1C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000293680413 372448129 /nfs/dbraw/zinc/44/81/29/372448129.db2.gz PQBMDJILURGXHA-UHFFFAOYSA-N 0 1 280.755 3.228 20 10 CGCDMN CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C)cc1O ZINC000296373459 373109538 /nfs/dbraw/zinc/10/95/38/373109538.db2.gz JGWFKXOTQKKKPE-UCMJJCQDSA-N 0 1 288.435 3.367 20 10 CGCDMN C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc2ccccc2c1[O-] ZINC000296628735 373199345 /nfs/dbraw/zinc/19/93/45/373199345.db2.gz XGYOUMDIMUPQFY-GUTXKFCHSA-N 0 1 285.387 3.357 20 10 CGCDMN Oc1cccc2c1[C@@H](NCc1cc(F)cnc1Cl)CC2 ZINC000297232690 373261164 /nfs/dbraw/zinc/26/11/64/373261164.db2.gz HZEOHOZWYQFKEV-LBPRGKRZSA-N 0 1 292.741 3.357 20 10 CGCDMN CCc1ccc([C@@H](COC)NCc2cc(F)ccc2O)o1 ZINC000180743917 374041030 /nfs/dbraw/zinc/04/10/30/374041030.db2.gz WLUZAUQQYPEOQW-CQSZACIVSA-N 0 1 293.338 3.164 20 10 CGCDMN COc1ccc(O)c(CNC(C)(C)c2ncc(C)s2)c1 ZINC000182552992 374289268 /nfs/dbraw/zinc/28/92/68/374289268.db2.gz IIIQQALDQZFWGK-UHFFFAOYSA-N 0 1 292.404 3.191 20 10 CGCDMN CN(Cc1ccccc1O)Cc1cccnc1C(F)(F)F ZINC000528421104 375902463 /nfs/dbraw/zinc/90/24/63/375902463.db2.gz ZXORVRPSVWDBDL-UHFFFAOYSA-N 0 1 296.292 3.438 20 10 CGCDMN CO[C@]1(C)CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000230300155 376501561 /nfs/dbraw/zinc/50/15/61/376501561.db2.gz ZDZMIWAHSQIANS-CQSZACIVSA-N 0 1 269.772 3.047 20 10 CGCDMN CN(CCF)Cc1ccc(N2CCCCC2)cc1 ZINC000268308741 378053119 /nfs/dbraw/zinc/05/31/19/378053119.db2.gz PHJVRAASGLMMJS-UHFFFAOYSA-N 0 1 250.361 3.078 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000273345801 378742515 /nfs/dbraw/zinc/74/25/15/378742515.db2.gz ARFDYDFSSPSHFM-WCBMZHEXSA-N 0 1 257.786 3.202 20 10 CGCDMN C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cc(F)ccc1[O-] ZINC000273445313 378745401 /nfs/dbraw/zinc/74/54/01/378745401.db2.gz DYCHITSDCHCCKS-QWHCGFSZSA-N 0 1 295.398 3.371 20 10 CGCDMN CCOCCC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000186155668 262082068 /nfs/dbraw/zinc/08/20/68/262082068.db2.gz KRNIFDQHPLQVTP-LBPRGKRZSA-N 0 1 281.371 3.389 20 10 CGCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCCO1 ZINC000132604395 392462201 /nfs/dbraw/zinc/46/22/01/392462201.db2.gz SGVMQTITSOJTCO-LLVKDONJSA-N 0 1 269.772 3.047 20 10 CGCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCCO1 ZINC000132604395 392462207 /nfs/dbraw/zinc/46/22/07/392462207.db2.gz SGVMQTITSOJTCO-LLVKDONJSA-N 0 1 269.772 3.047 20 10 CGCDMN Oc1ccccc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000179582148 392704965 /nfs/dbraw/zinc/70/49/65/392704965.db2.gz NKPWQRHDXGPYPC-OAHLLOKOSA-N 0 1 275.373 3.027 20 10 CGCDMN Cc1noc(C)c1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000092328637 260269580 /nfs/dbraw/zinc/26/95/80/260269580.db2.gz HRWBPAIOWZVVFK-LLVKDONJSA-N 0 1 273.380 3.208 20 10 CGCDMN Cc1ccc(NC(=O)CN(C)Cc2cc(C)ccc2O)cc1 ZINC000159162194 261179718 /nfs/dbraw/zinc/17/97/18/261179718.db2.gz KIKCPYPGLGUTAY-UHFFFAOYSA-N 0 1 298.386 3.080 20 10 CGCDMN CCOc1cccc(CN(C)Cc2ccco2)c1O ZINC000162154383 261271645 /nfs/dbraw/zinc/27/16/45/261271645.db2.gz VAWBFGOQAGXCDK-UHFFFAOYSA-N 0 1 261.321 3.016 20 10 CGCDMN CCCOc1ccc(CN(C)Cc2ccco2)c(O)c1 ZINC000162170739 261272432 /nfs/dbraw/zinc/27/24/32/261272432.db2.gz IZQZJSMZYYDJTH-UHFFFAOYSA-N 0 1 275.348 3.406 20 10 CGCDMN COc1cc(Cl)cc(CN(C)Cc2ccncc2)c1O ZINC000184745063 262027497 /nfs/dbraw/zinc/02/74/97/262027497.db2.gz DUPVCFKPDHQFCB-UHFFFAOYSA-N 0 1 292.766 3.081 20 10 CGCDMN C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000185531371 262058615 /nfs/dbraw/zinc/05/86/15/262058615.db2.gz FKZVARLNVWZUBU-GYSYKLTISA-N 0 1 283.799 3.247 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000372434216 262268568 /nfs/dbraw/zinc/26/85/68/262268568.db2.gz YFFOGPRPTBNWCO-UHFFFAOYSA-N 0 1 291.782 3.148 20 10 CGCDMN CCOc1cccc(CN[C@@H](C)c2ncccc2F)c1O ZINC000527826253 270138459 /nfs/dbraw/zinc/13/84/59/270138459.db2.gz JJMXCNJBTVUYNV-NSHDSACASA-N 0 1 290.338 3.176 20 10 CGCDMN CC[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])OC ZINC000290049177 328257754 /nfs/dbraw/zinc/25/77/54/328257754.db2.gz DYVFPRINMWVZSY-GXSJLCMTSA-N 0 1 257.761 3.121 20 10 CGCDMN CC[C@@](C)(NCc1cccc(OC)c1O)c1nccs1 ZINC000152618065 327563193 /nfs/dbraw/zinc/56/31/93/327563193.db2.gz CFNWSWUVABKFBV-OAHLLOKOSA-N 0 1 292.404 3.272 20 10 CGCDMN CCOC1CC2(C1)CC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000377694691 329025355 /nfs/dbraw/zinc/02/53/55/329025355.db2.gz DXSQLHARBYKQBF-UHFFFAOYSA-N 0 1 295.810 3.437 20 10 CGCDMN Cc1cccc(CN[C@@H](C)c2ncccc2F)c1O ZINC000529691533 333506014 /nfs/dbraw/zinc/50/60/14/333506014.db2.gz YYBCOHNPDDMOMO-NSHDSACASA-N 0 1 260.312 3.086 20 10 CGCDMN C=Cn1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000278205001 519321742 /nfs/dbraw/zinc/32/17/42/519321742.db2.gz JMMGEIFSHPIMKY-UHFFFAOYSA-N 0 1 296.418 3.214 20 10 CGCDMN CN(C)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000096810793 522041718 /nfs/dbraw/zinc/04/17/18/522041718.db2.gz KYJYUOMNWKOZSH-OAHLLOKOSA-N 0 1 284.403 3.071 20 10 CGCDMN CN(C)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000096810793 522041730 /nfs/dbraw/zinc/04/17/30/522041730.db2.gz KYJYUOMNWKOZSH-OAHLLOKOSA-N 0 1 284.403 3.071 20 10 CGCDMN CC[C@@H](C)c1nnc([C@@H](C)NCc2cc(C)ccc2O)[nH]1 ZINC000277403038 522440198 /nfs/dbraw/zinc/44/01/98/522440198.db2.gz KUKDQMOTVDFSEW-VXGBXAGGSA-N 0 1 288.395 3.183 20 10 CGCDMN Oc1c(Cl)cccc1CN[C@@H](C1CC1)C(F)(F)F ZINC000290107860 526329271 /nfs/dbraw/zinc/32/92/71/526329271.db2.gz HZGCTXMEKZIKDH-NSHDSACASA-N 0 1 279.689 3.476 20 10 CGCDMN Cc1ccoc1CNCc1ccc(N(C)C)cc1C ZINC000742371358 572569342 /nfs/dbraw/zinc/56/93/42/572569342.db2.gz RZQJYYHHRANHJW-UHFFFAOYSA-N 0 1 258.365 3.252 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCc1ccc(O)cc1 ZINC000735677683 572737409 /nfs/dbraw/zinc/73/74/09/572737409.db2.gz SXKCMINNDNNALI-UHFFFAOYSA-N 0 1 291.778 3.474 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000248487925 618167307 /nfs/dbraw/zinc/16/73/07/618167307.db2.gz GJPAROGJZLKJGQ-IUIKQTSFSA-N 0 1 271.360 3.109 20 10 CGCDMN Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)cnc1F ZINC000891397771 618185686 /nfs/dbraw/zinc/18/56/86/618185686.db2.gz REQQOBXWYJDQSC-UHFFFAOYSA-N 0 1 287.382 3.227 20 10 CGCDMN CC1(C)SC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000309754033 618768030 /nfs/dbraw/zinc/76/80/30/618768030.db2.gz HHNWMIKLUFIVLO-NSHDSACASA-N 0 1 257.786 3.029 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](O)CC(C)C)c1cc(Cl)ccc1[O-] ZINC000775498253 619075024 /nfs/dbraw/zinc/07/50/24/619075024.db2.gz ZNSDACMJUQAJMU-OCCSQVGLSA-N 0 1 285.815 3.493 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCOCC1CCCC1 ZINC000313250161 619165508 /nfs/dbraw/zinc/16/55/08/619165508.db2.gz BXTLCRXDRANNEJ-UHFFFAOYSA-N 0 1 283.799 3.342 20 10 CGCDMN CSC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000093761045 619214881 /nfs/dbraw/zinc/21/48/81/619214881.db2.gz GBDCKWZIFVZITN-LBPRGKRZSA-N 0 1 271.813 3.373 20 10 CGCDMN CSC[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000093761045 619214883 /nfs/dbraw/zinc/21/48/83/619214883.db2.gz GBDCKWZIFVZITN-LBPRGKRZSA-N 0 1 271.813 3.373 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000894763660 619628916 /nfs/dbraw/zinc/62/89/16/619628916.db2.gz OBHMMQVUDMIVJY-OAHLLOKOSA-N 0 1 290.313 3.403 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000894763658 619628977 /nfs/dbraw/zinc/62/89/77/619628977.db2.gz OBHMMQVUDMIVJY-HNNXBMFYSA-N 0 1 290.313 3.403 20 10 CGCDMN CC1(CC(F)(F)F)CN(Cc2cc(F)cc(F)c2O)C1 ZINC000894979894 619691314 /nfs/dbraw/zinc/69/13/14/619691314.db2.gz FFDOZNUIGMTJCU-UHFFFAOYSA-N 0 1 295.251 3.445 20 10 CGCDMN Cc1noc(C)c1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000073007620 625407099 /nfs/dbraw/zinc/40/70/99/625407099.db2.gz LZMWJBBIMOEWDO-LLVKDONJSA-N 0 1 273.380 3.208 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H](C)Cc2cccnc2)cc1Cl ZINC000897967468 620458710 /nfs/dbraw/zinc/45/87/10/620458710.db2.gz QTQUMXYONVRUIW-GFCCVEGCSA-N 0 1 290.794 3.470 20 10 CGCDMN [O-]c1c(C[NH2+][C@H]2COC[C@H]2C2CC2)ccc2ccccc21 ZINC000898380409 620515113 /nfs/dbraw/zinc/51/51/13/620515113.db2.gz NYCHJNAGLOTEIS-IRXDYDNUSA-N 0 1 283.371 3.060 20 10 CGCDMN C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1cc(F)ccc1[O-] ZINC000903363942 621715642 /nfs/dbraw/zinc/71/56/42/621715642.db2.gz RKXARKTXYWVYKX-BFQNTYOBSA-N 0 1 291.366 3.141 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cccs1 ZINC000083551427 625644930 /nfs/dbraw/zinc/64/49/30/625644930.db2.gz FFIBGEQLSDXEPS-UHFFFAOYSA-N 0 1 253.754 3.397 20 10 CGCDMN Cc1cnc(Cl)c(CNCc2ccc(N(C)C)cc2)c1 ZINC000921496459 624599673 /nfs/dbraw/zinc/59/96/73/624599673.db2.gz UXXNGNYTWNSHFV-UHFFFAOYSA-N 0 1 289.810 3.399 20 10 CGCDMN Fc1ccccc1CNCc1ccc2c(c1)CCCO2 ZINC000921478160 624601042 /nfs/dbraw/zinc/60/10/42/624601042.db2.gz BLKVOVQYQSPHFC-UHFFFAOYSA-N 0 1 271.335 3.441 20 10 CGCDMN CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000124573501 634428270 /nfs/dbraw/zinc/42/82/70/634428270.db2.gz GFZVNZNTYVLOJA-YGRLFVJLSA-N 0 1 279.355 3.497 20 10 CGCDMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000124573501 634428277 /nfs/dbraw/zinc/42/82/77/634428277.db2.gz GFZVNZNTYVLOJA-YGRLFVJLSA-N 0 1 279.355 3.497 20 10 CGCDMN C[C@@H](NCc1ccc2c(c1)CCCO2)c1cncc(F)c1 ZINC000921981785 625951047 /nfs/dbraw/zinc/95/10/47/625951047.db2.gz XHKWEUBDXKAYIS-GFCCVEGCSA-N 0 1 286.350 3.397 20 10 CGCDMN C[C@H](NCc1ccc2c(c1)CCCO2)c1cncc(F)c1 ZINC000921981787 625951601 /nfs/dbraw/zinc/95/16/01/625951601.db2.gz XHKWEUBDXKAYIS-LBPRGKRZSA-N 0 1 286.350 3.397 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c(Cl)c1 ZINC000922516899 626009967 /nfs/dbraw/zinc/00/99/67/626009967.db2.gz BCOQBQICDGECPI-HIFRSBDPSA-N 0 1 281.783 3.011 20 10 CGCDMN C[C@H]1CCCCN1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000113322168 626093318 /nfs/dbraw/zinc/09/33/18/626093318.db2.gz FNBSOINCCAJSPY-LBPRGKRZSA-N 0 1 282.815 3.010 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC2(C1)CCCC2 ZINC000839105629 626315142 /nfs/dbraw/zinc/31/51/42/626315142.db2.gz UJHPFKSHSJHRRM-UHFFFAOYSA-N 0 1 251.757 3.422 20 10 CGCDMN CCN(CC)c1ccc(CN2CC(C(F)F)C2)cc1 ZINC000839138377 626322401 /nfs/dbraw/zinc/32/24/01/626322401.db2.gz PLOFILLUNVVHGP-UHFFFAOYSA-N 0 1 268.351 3.230 20 10 CGCDMN Cc1ccc(CNCc2ccc(N(C)C)c(F)c2)nc1C ZINC000839164373 626323781 /nfs/dbraw/zinc/32/37/81/626323781.db2.gz QQHYTCYAOHRVMI-UHFFFAOYSA-N 0 1 287.382 3.193 20 10 CGCDMN CCc1cc(CN[C@@H](C)c2cc(Cl)ccc2O)on1 ZINC000756611467 626720443 /nfs/dbraw/zinc/72/04/43/626720443.db2.gz WFEJLDIZBWCCKE-VIFPVBQESA-N 0 1 280.755 3.447 20 10 CGCDMN CCc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])on1 ZINC000756611467 626720445 /nfs/dbraw/zinc/72/04/45/626720445.db2.gz WFEJLDIZBWCCKE-VIFPVBQESA-N 0 1 280.755 3.447 20 10 CGCDMN Cc1ccc([C@H](C)NCc2ncccc2F)c(O)c1 ZINC000756768110 626730379 /nfs/dbraw/zinc/73/03/79/626730379.db2.gz JPRDQGSSPUPEJB-NSHDSACASA-N 0 1 260.312 3.086 20 10 CGCDMN C[C@H](Nc1cnn(-c2ccncc2)c1)c1ccc(F)cc1O ZINC000756868881 626738270 /nfs/dbraw/zinc/73/82/70/626738270.db2.gz YHVJTOJOVVZHRB-NSHDSACASA-N 0 1 298.321 3.285 20 10 CGCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CC3)C2)c1O ZINC000761203728 627024471 /nfs/dbraw/zinc/02/44/71/627024471.db2.gz MAAINHQGYLMRPT-LLVKDONJSA-N 0 1 281.783 3.286 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(C(F)F)CC1 ZINC000765151356 627241706 /nfs/dbraw/zinc/24/17/06/627241706.db2.gz UIIGHNNFZZCQCG-UHFFFAOYSA-N 0 1 292.329 3.418 20 10 CGCDMN CSC[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Cl ZINC000769516107 627561649 /nfs/dbraw/zinc/56/16/49/627561649.db2.gz OFCDAQXFWGYRFK-JTQLQIEISA-N 0 1 271.813 3.373 20 10 CGCDMN CSC[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000769516107 627561652 /nfs/dbraw/zinc/56/16/52/627561652.db2.gz OFCDAQXFWGYRFK-JTQLQIEISA-N 0 1 271.813 3.373 20 10 CGCDMN CSC[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000769516107 627561655 /nfs/dbraw/zinc/56/16/55/627561655.db2.gz OFCDAQXFWGYRFK-JTQLQIEISA-N 0 1 271.813 3.373 20 10 CGCDMN CSC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757912 635230820 /nfs/dbraw/zinc/23/08/20/635230820.db2.gz GILZDPRXVKVQES-DTWKUNHWSA-N 0 1 259.802 3.448 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](CC)CCO)c1cc(Cl)ccc1[O-] ZINC000775509997 628098536 /nfs/dbraw/zinc/09/85/36/628098536.db2.gz UEZGGIYEPZRUJM-WCQYABFASA-N 0 1 271.788 3.247 20 10 CGCDMN CCOCC[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775489632 628099997 /nfs/dbraw/zinc/09/99/97/628099997.db2.gz WDEGFDBYYMQPAL-GFCCVEGCSA-N 0 1 257.761 3.123 20 10 CGCDMN CC[C@H]([NH2+][C@H](CO)CC(C)C)c1cc(Cl)ccc1[O-] ZINC000775492213 628100180 /nfs/dbraw/zinc/10/01/80/628100180.db2.gz NLVSDYVQBZJPIK-JSGCOSHPSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503421 628101932 /nfs/dbraw/zinc/10/19/32/628101932.db2.gz IEYJXUDFPQXONC-XEGUGMAKSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)Cn1cccn1)c1cc(Cl)ccc1[O-] ZINC000775519123 628103222 /nfs/dbraw/zinc/10/32/22/628103222.db2.gz IRGNPPBKSSRSDK-FZMZJTMJSA-N 0 1 293.798 3.372 20 10 CGCDMN CCN1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000775715548 628128481 /nfs/dbraw/zinc/12/84/81/628128481.db2.gz GPKOUOJLSQHUGI-TZMCWYRMSA-N 0 1 296.842 3.350 20 10 CGCDMN CCN1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000775715548 628128484 /nfs/dbraw/zinc/12/84/84/628128484.db2.gz GPKOUOJLSQHUGI-TZMCWYRMSA-N 0 1 296.842 3.350 20 10 CGCDMN CC(C)OCCC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775710082 628128735 /nfs/dbraw/zinc/12/87/35/628128735.db2.gz IOKMBZHWECUVHZ-UHFFFAOYSA-N 0 1 289.778 3.432 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000775717093 628129594 /nfs/dbraw/zinc/12/95/94/628129594.db2.gz MHNDZBJUABPHHH-INIZCTEOSA-N 0 1 295.810 3.438 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000775735960 628131292 /nfs/dbraw/zinc/13/12/92/628131292.db2.gz HLMGTZQIYQRHSO-QMTHXVAHSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000775735395 628131339 /nfs/dbraw/zinc/13/13/39/628131339.db2.gz RTJHPQQCRIZYOT-UHFFFAOYSA-N 0 1 299.773 3.187 20 10 CGCDMN COc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000775834029 628141142 /nfs/dbraw/zinc/14/11/42/628141142.db2.gz JCJZZXLPYKXEOQ-CYBMUJFWSA-N 0 1 285.391 3.007 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000776017834 628158250 /nfs/dbraw/zinc/15/82/50/628158250.db2.gz SVIDJJHKCWZCLS-UHFFFAOYSA-N 0 1 295.810 3.438 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000776017834 628158252 /nfs/dbraw/zinc/15/82/52/628158252.db2.gz SVIDJJHKCWZCLS-UHFFFAOYSA-N 0 1 295.810 3.438 20 10 CGCDMN CCc1cnc(CC[NH2+]Cc2c([O-])cccc2Cl)s1 ZINC000776223122 628182148 /nfs/dbraw/zinc/18/21/48/628182148.db2.gz QQTTVPNGPXATEP-UHFFFAOYSA-N 0 1 296.823 3.397 20 10 CGCDMN CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C ZINC000776499725 628215259 /nfs/dbraw/zinc/21/52/59/628215259.db2.gz XTWTUODQZFGSAX-QCZZGDTMSA-N 0 1 283.799 3.195 20 10 CGCDMN C[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C[C@@H]1F ZINC000779151365 628390895 /nfs/dbraw/zinc/39/08/95/628390895.db2.gz XJIVCCHYTSXYTQ-UFBFGSQYSA-N 0 1 275.726 3.365 20 10 CGCDMN C[C@@H]1COc2ccccc2CN1Cc1cc(F)ccc1O ZINC000783597163 628730535 /nfs/dbraw/zinc/73/05/35/628730535.db2.gz KAYMWJNAYBYBOD-GFCCVEGCSA-N 0 1 287.334 3.314 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC2(C)C)c1[O-] ZINC000788465217 629055460 /nfs/dbraw/zinc/05/54/60/629055460.db2.gz RVQDDPRIHBCSSX-CQSZACIVSA-N 0 1 279.355 3.402 20 10 CGCDMN C[C@@H](O)CCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000789328006 629124887 /nfs/dbraw/zinc/12/48/87/629124887.db2.gz XSQIXALENHIBAD-CQSZACIVSA-N 0 1 277.408 3.298 20 10 CGCDMN C[C@@H](O)CCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000789328006 629124889 /nfs/dbraw/zinc/12/48/89/629124889.db2.gz XSQIXALENHIBAD-CQSZACIVSA-N 0 1 277.408 3.298 20 10 CGCDMN CC(C)[C@H]1CC[N@@H+]1Cc1c([O-])cccc1Br ZINC000862262348 629333479 /nfs/dbraw/zinc/33/34/79/629333479.db2.gz XNFJONIVPHMGLB-GFCCVEGCSA-N 0 1 284.197 3.385 20 10 CGCDMN CC(C)[C@H]1CC[N@H+]1Cc1c([O-])cccc1Br ZINC000862262348 629333485 /nfs/dbraw/zinc/33/34/85/629333485.db2.gz XNFJONIVPHMGLB-GFCCVEGCSA-N 0 1 284.197 3.385 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCOCC2(CCC2)C1 ZINC000792175411 629344974 /nfs/dbraw/zinc/34/49/74/629344974.db2.gz TWXLQGBIXXQFEY-UHFFFAOYSA-N 0 1 299.773 3.187 20 10 CGCDMN CO[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862353849 629347488 /nfs/dbraw/zinc/34/74/88/629347488.db2.gz CAGIPUNHJGFAST-WCQYABFASA-N 0 1 298.377 3.030 20 10 CGCDMN CCCCN(Cc1nc(C)c[nH]1)Cc1ccccc1O ZINC000862355273 629348025 /nfs/dbraw/zinc/34/80/25/629348025.db2.gz HMVYZANCRKKVIW-UHFFFAOYSA-N 0 1 273.380 3.226 20 10 CGCDMN C[C@H]1CSCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000792718563 629376982 /nfs/dbraw/zinc/37/69/82/629376982.db2.gz AVHDSOZONSQOKX-GFCCVEGCSA-N 0 1 288.416 3.125 20 10 CGCDMN C[C@H]1CSCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000792718563 629376984 /nfs/dbraw/zinc/37/69/84/629376984.db2.gz AVHDSOZONSQOKX-GFCCVEGCSA-N 0 1 288.416 3.125 20 10 CGCDMN C[C@H]1CSCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000792718563 629376988 /nfs/dbraw/zinc/37/69/88/629376988.db2.gz AVHDSOZONSQOKX-GFCCVEGCSA-N 0 1 288.416 3.125 20 10 CGCDMN CCC[N@H+](CCC(C)(C)C(=O)OC)Cc1ccccc1[O-] ZINC000792800677 629382860 /nfs/dbraw/zinc/38/28/60/629382860.db2.gz YUPCZCPEVKTAIW-UHFFFAOYSA-N 0 1 293.407 3.194 20 10 CGCDMN CCC[N@@H+](CCC(C)(C)C(=O)OC)Cc1ccccc1[O-] ZINC000792800677 629382864 /nfs/dbraw/zinc/38/28/64/629382864.db2.gz YUPCZCPEVKTAIW-UHFFFAOYSA-N 0 1 293.407 3.194 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1(C)COC1 ZINC000862476978 629383709 /nfs/dbraw/zinc/38/37/09/629383709.db2.gz GAKMVHJRQQMRRY-UHFFFAOYSA-N 0 1 290.190 3.167 20 10 CGCDMN CCOc1ccc(N(CC)Cc2n[nH]c(C(C)C)n2)cc1 ZINC000794415551 629540498 /nfs/dbraw/zinc/54/04/98/629540498.db2.gz XEWQWVGVXPJFIV-UHFFFAOYSA-N 0 1 288.395 3.353 20 10 CGCDMN COc1ccc(N(CCC(C)C)Cc2n[nH]c(C)n2)cc1 ZINC000794533544 629551039 /nfs/dbraw/zinc/55/10/39/629551039.db2.gz VORAIVCCRCZJAS-UHFFFAOYSA-N 0 1 288.395 3.174 20 10 CGCDMN Cc1cc(O)c(CN2CC[C@H](F)C2)cc1C(C)C ZINC000840105106 630595446 /nfs/dbraw/zinc/59/54/46/630595446.db2.gz OLKSNBKKGYTPFX-ZDUSSCGKSA-N 0 1 251.345 3.368 20 10 CGCDMN CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000842761442 635464083 /nfs/dbraw/zinc/46/40/83/635464083.db2.gz ZFTRUXRFOVQTNP-PHIMTYICSA-N 0 1 283.799 3.481 20 10 CGCDMN CC1(C)[C@@H](O)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000812779563 631307211 /nfs/dbraw/zinc/30/72/11/631307211.db2.gz RNBURDNDWICZOI-NSHDSACASA-N 0 1 290.190 3.044 20 10 CGCDMN Cc1cc(CN2CC[C@H](C)[C@H](F)C2)ccc1N(C)C ZINC000815087977 631713950 /nfs/dbraw/zinc/71/39/50/631713950.db2.gz WVIGLMHCIWBZAR-SWLSCSKDSA-N 0 1 264.388 3.241 20 10 CGCDMN C[N@@H+](Cc1ccoc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816495024 631993757 /nfs/dbraw/zinc/99/37/57/631993757.db2.gz HMYKSOOYWICFIU-UHFFFAOYSA-N 0 1 269.703 3.410 20 10 CGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])CC1CCOCC1 ZINC000816507509 631998341 /nfs/dbraw/zinc/99/83/41/631998341.db2.gz IWTQBBFTLLZPET-UHFFFAOYSA-N 0 1 285.387 3.404 20 10 CGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])CC1CCOCC1 ZINC000816507509 631998345 /nfs/dbraw/zinc/99/83/45/631998345.db2.gz IWTQBBFTLLZPET-UHFFFAOYSA-N 0 1 285.387 3.404 20 10 CGCDMN CC[C@@H]([NH2+]CC(C)(C)N)c1cc(Cl)cc(Cl)c1[O-] ZINC000817960537 632256652 /nfs/dbraw/zinc/25/66/52/632256652.db2.gz NEJZCUKBKYACQP-LLVKDONJSA-N 0 1 291.222 3.477 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000865875246 632936156 /nfs/dbraw/zinc/93/61/56/632936156.db2.gz MQRXFXJBIPIHPO-AWEZNQCLSA-N 0 1 283.799 3.076 20 10 CGCDMN C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccnn1C ZINC000866616126 633215312 /nfs/dbraw/zinc/21/53/12/633215312.db2.gz YRUOERBEPAIKNP-NXEZZACHSA-N 0 1 279.771 3.191 20 10 CGCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H](CO)c1ccccc1 ZINC000824696235 633274620 /nfs/dbraw/zinc/27/46/20/633274620.db2.gz IYYMZEIAJVHOAV-HNNXBMFYSA-N 0 1 291.778 3.211 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H](CO)c1ccccc1 ZINC000824696235 633274623 /nfs/dbraw/zinc/27/46/23/633274623.db2.gz IYYMZEIAJVHOAV-HNNXBMFYSA-N 0 1 291.778 3.211 20 10 CGCDMN Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824715172 633277700 /nfs/dbraw/zinc/27/77/00/633277700.db2.gz IVVXRCYNAWYIEH-IIAWOOMASA-N 0 1 295.810 3.171 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824715172 633277701 /nfs/dbraw/zinc/27/77/01/633277701.db2.gz IVVXRCYNAWYIEH-IIAWOOMASA-N 0 1 295.810 3.171 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824715172 633277704 /nfs/dbraw/zinc/27/77/04/633277704.db2.gz IVVXRCYNAWYIEH-IIAWOOMASA-N 0 1 295.810 3.171 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccccc2O)cc1Cl ZINC000825185024 633334878 /nfs/dbraw/zinc/33/48/78/633334878.db2.gz GUAXRBWAJZVICJ-UHFFFAOYSA-N 0 1 291.778 3.392 20 10 CGCDMN CCOc1ccc(C[N@H+]2CCC[C@@H](COC)CC2)c(O)c1 ZINC000825321595 633344634 /nfs/dbraw/zinc/34/46/34/633344634.db2.gz IGEMUKDNMCHROQ-CQSZACIVSA-N 0 1 293.407 3.039 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@H](CCCO)C2)ccc2ccccc21 ZINC000825339078 633346789 /nfs/dbraw/zinc/34/67/89/633346789.db2.gz ZWVPPZPCHJRGLU-AWEZNQCLSA-N 0 1 285.387 3.140 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@H](CCCO)C2)ccc2ccccc21 ZINC000825339078 633346791 /nfs/dbraw/zinc/34/67/91/633346791.db2.gz ZWVPPZPCHJRGLU-AWEZNQCLSA-N 0 1 285.387 3.140 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)CCCO)cc1Cl ZINC000825405100 633352957 /nfs/dbraw/zinc/35/29/57/633352957.db2.gz CVPAWQXTVJIVOC-UHFFFAOYSA-N 0 1 285.815 3.242 20 10 CGCDMN CCC[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])OC ZINC000826030044 633398768 /nfs/dbraw/zinc/39/87/68/633398768.db2.gz NLMRQNZSUTVZDC-LBPRGKRZSA-N 0 1 271.788 3.259 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H](O)C(C)C ZINC000826121233 633406441 /nfs/dbraw/zinc/40/64/41/633406441.db2.gz NXBILHISRXSGFA-HIFRSBDPSA-N 0 1 285.815 3.239 20 10 CGCDMN [O-]c1c(C[NH2+][C@H]2COC3(CCC3)C2)ccc2ccccc21 ZINC000827126206 633461677 /nfs/dbraw/zinc/46/16/77/633461677.db2.gz XPBFZKZBCPTWRG-OAHLLOKOSA-N 0 1 283.371 3.347 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1Cl ZINC000827481112 633492891 /nfs/dbraw/zinc/49/28/91/633492891.db2.gz KXMTVMLSTLYPKJ-GNXNZQSNSA-N 0 1 251.757 3.242 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)ccc2ccccc21 ZINC000827601734 633502337 /nfs/dbraw/zinc/50/23/37/633502337.db2.gz HSACGHRXAWOCFF-HOTGVXAUSA-N 0 1 283.371 3.014 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)ccc2ccccc21 ZINC000827601734 633502347 /nfs/dbraw/zinc/50/23/47/633502347.db2.gz HSACGHRXAWOCFF-HOTGVXAUSA-N 0 1 283.371 3.014 20 10 CGCDMN CC[C@@H]([NH2+]CC[C@@H](C)CCO)c1cc(Cl)ccc1[O-] ZINC000834832203 634251522 /nfs/dbraw/zinc/25/15/22/634251522.db2.gz MTMIENNOBGGKKO-BXUZGUMPSA-N 0 1 285.815 3.495 20 10 CGCDMN C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000834895645 634271957 /nfs/dbraw/zinc/27/19/57/634271957.db2.gz CLNORQDDHRUORB-QWRGUYRKSA-N 0 1 293.798 3.061 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c2c1c(F)ccc2[O-] ZINC000834904822 634280996 /nfs/dbraw/zinc/28/09/96/634280996.db2.gz QVLIHCAGRQMYRA-PWSUYJOCSA-N 0 1 295.398 3.466 20 10 CGCDMN CN(C)c1ccc(/C=C/CNCc2ccco2)cc1 ZINC000835034456 634327612 /nfs/dbraw/zinc/32/76/12/634327612.db2.gz WINHFKZMNHHQKB-HWKANZROSA-N 0 1 256.349 3.149 20 10 CGCDMN Cc1cnc(CNC/C=C\c2ccc(N(C)C)cc2)s1 ZINC000835039452 634329863 /nfs/dbraw/zinc/32/98/63/634329863.db2.gz HKPGLWBNVKPPMK-PLNGDYQASA-N 0 1 287.432 3.321 20 10 CGCDMN CCc1nc(C)c(CNC/C=C\c2ccc(N(C)C)cc2)o1 ZINC000835055944 634339162 /nfs/dbraw/zinc/33/91/62/634339162.db2.gz QGWGDCUNRYNJEN-SREVYHEPSA-N 0 1 299.418 3.414 20 10 CGCDMN CC1(C)C[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000835059535 634340254 /nfs/dbraw/zinc/34/02/54/634340254.db2.gz IRHAISVNCRZWRU-NSHDSACASA-N 0 1 283.799 3.340 20 10 CGCDMN Cc1ncc(CN(C)Cc2ccc(C)cc2O)s1 ZINC000876622170 634869789 /nfs/dbraw/zinc/86/97/89/634869789.db2.gz CIWUBZCHZJILAB-UHFFFAOYSA-N 0 1 262.378 3.098 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2O)CCS1 ZINC000876747578 634891743 /nfs/dbraw/zinc/89/17/43/634891743.db2.gz HGJHWZQVMAIDRD-CYBMUJFWSA-N 0 1 251.395 3.028 20 10 CGCDMN Cc1ccc(CNCc2nc(C3CC3)cs2)c(O)c1 ZINC000877110202 634986142 /nfs/dbraw/zinc/98/61/42/634986142.db2.gz MSINHZHOUYNZGE-UHFFFAOYSA-N 0 1 274.389 3.324 20 10 CGCDMN C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877171049 635007361 /nfs/dbraw/zinc/00/73/61/635007361.db2.gz XSYKDLKPICEUMN-JTQLQIEISA-N 0 1 278.302 3.258 20 10 CGCDMN CCn1ccc(CN[C@@H](C)c2ccc(C)c(C)c2O)n1 ZINC000840841534 635062384 /nfs/dbraw/zinc/06/23/84/635062384.db2.gz VOMJAPXMDCVXAN-ZDUSSCGKSA-N 0 1 273.380 3.076 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccccc2CO)c(Cl)c1 ZINC000840883598 635073268 /nfs/dbraw/zinc/07/32/68/635073268.db2.gz GKYKIBBWVCWQFK-UHFFFAOYSA-N 0 1 291.778 3.136 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccc(C)nc2)c(Cl)c1 ZINC000840897301 635078256 /nfs/dbraw/zinc/07/82/56/635078256.db2.gz QUHMNXYTCSAJEO-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840908054 635080248 /nfs/dbraw/zinc/08/02/48/635080248.db2.gz NXYQBDXBNJDUTG-IAQYHMDHSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](C)O)c(Cl)c1 ZINC000840917750 635082539 /nfs/dbraw/zinc/08/25/39/635082539.db2.gz MEABOKBMVOQSMQ-RYUDHWBXSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c(Cl)c1 ZINC000840917750 635082542 /nfs/dbraw/zinc/08/25/42/635082542.db2.gz MEABOKBMVOQSMQ-RYUDHWBXSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]2(C)CCCO)c(Cl)c1 ZINC000840948733 635091210 /nfs/dbraw/zinc/09/12/10/635091210.db2.gz JTXQFHNIUUGVHH-INIZCTEOSA-N 0 1 297.826 3.481 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]2(C)CCCO)c(Cl)c1 ZINC000840948733 635091213 /nfs/dbraw/zinc/09/12/13/635091213.db2.gz JTXQFHNIUUGVHH-INIZCTEOSA-N 0 1 297.826 3.481 20 10 CGCDMN CC[C@](C)(C[NH2+]Cc1c([O-])cc(C)cc1Cl)OC ZINC000840951091 635091430 /nfs/dbraw/zinc/09/14/30/635091430.db2.gz SCELTVZOWSIANE-CQSZACIVSA-N 0 1 271.788 3.259 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000840954967 635091964 /nfs/dbraw/zinc/09/19/64/635091964.db2.gz OCQSRJYNRANUSQ-AWEZNQCLSA-N 0 1 281.783 3.047 20 10 CGCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1CC1(F)F ZINC000840967294 635095304 /nfs/dbraw/zinc/09/53/04/635095304.db2.gz DRUZABRDZLNONL-GMSGAONNSA-N 0 1 261.699 3.179 20 10 CGCDMN Cc1cccc(O)c1C[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000877607856 635109713 /nfs/dbraw/zinc/10/97/13/635109713.db2.gz MSTYHUQDJPQATI-CQSZACIVSA-N 0 1 275.392 3.092 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])[C@H](C)O1 ZINC000877683121 635144098 /nfs/dbraw/zinc/14/40/98/635144098.db2.gz SSZIINAAFJMNSC-BFQNTYOBSA-N 0 1 271.360 3.201 20 10 CGCDMN Cc1ccc(CCC[N@H+]2Cc3cccc(O)c3C2)cn1 ZINC000877702589 635154416 /nfs/dbraw/zinc/15/44/16/635154416.db2.gz COWDTWQMLRPXIO-UHFFFAOYSA-N 0 1 268.360 3.044 20 10 CGCDMN CCOc1ccc(CN2Cc3cccc(O)c3C2)cc1 ZINC000877703511 635155259 /nfs/dbraw/zinc/15/52/59/635155259.db2.gz MPOBBXBCDLIQKX-UHFFFAOYSA-N 0 1 269.344 3.307 20 10 CGCDMN CN(C)c1ccc(/C=C\CN2Cc3cccc(O)c3C2)cc1 ZINC000877703285 635155909 /nfs/dbraw/zinc/15/59/09/635155909.db2.gz ZZJHRQQVMANSTK-PLNGDYQASA-N 0 1 294.398 3.487 20 10 CGCDMN CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000877778891 635200992 /nfs/dbraw/zinc/20/09/92/635200992.db2.gz WAOMDAXPGNOYHT-IUODEOHRSA-N 0 1 273.376 3.185 20 10 CGCDMN COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])ccn1 ZINC000841746153 635222412 /nfs/dbraw/zinc/22/24/12/635222412.db2.gz VRYNVOJVLNXQFC-JTQLQIEISA-N 0 1 292.766 3.300 20 10 CGCDMN CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747131 635224100 /nfs/dbraw/zinc/22/41/00/635224100.db2.gz ODUUMQKBLMWJMG-RYUDHWBXSA-N 0 1 284.831 3.427 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(Cl)cc1[O-] ZINC000841752209 635225688 /nfs/dbraw/zinc/22/56/88/635225688.db2.gz RNBJBODWQNLJHG-PSASIEDQSA-N 0 1 257.786 3.202 20 10 CGCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cnn(C)c1 ZINC000841754617 635229070 /nfs/dbraw/zinc/22/90/70/635229070.db2.gz LAWNJDWKIGLDLR-UWVGGRQHSA-N 0 1 279.771 3.191 20 10 CGCDMN C[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(Cl)cc1[O-] ZINC000841754250 635229080 /nfs/dbraw/zinc/22/90/80/635229080.db2.gz JLRGUPPWPBHWJU-JTQLQIEISA-N 0 1 264.756 3.235 20 10 CGCDMN Cc1nnc(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841756831 635229722 /nfs/dbraw/zinc/22/97/22/635229722.db2.gz KLPSWGWWZDJGAS-MRVPVSSYSA-N 0 1 297.811 3.099 20 10 CGCDMN CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757679 635230898 /nfs/dbraw/zinc/23/08/98/635230898.db2.gz FEEDCXJCFWBJOM-RWSFTLGLSA-N 0 1 285.815 3.493 20 10 CGCDMN CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877836225 635237012 /nfs/dbraw/zinc/23/70/12/635237012.db2.gz QEXTUDDXUMJWPE-OAHLLOKOSA-N 0 1 285.387 3.138 20 10 CGCDMN CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877836225 635237018 /nfs/dbraw/zinc/23/70/18/635237018.db2.gz QEXTUDDXUMJWPE-OAHLLOKOSA-N 0 1 285.387 3.138 20 10 CGCDMN CCCCC[N@H+](CCO)Cc1c([O-])cccc1Cl ZINC000126885458 635351193 /nfs/dbraw/zinc/35/11/93/635351193.db2.gz QIKPAKNQFRELPL-UHFFFAOYSA-N 0 1 271.788 3.030 20 10 CGCDMN CCCCC[N@@H+](CCO)Cc1c([O-])cccc1Cl ZINC000126885458 635351200 /nfs/dbraw/zinc/35/12/00/635351200.db2.gz QIKPAKNQFRELPL-UHFFFAOYSA-N 0 1 271.788 3.030 20 10 CGCDMN C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000126883692 635351373 /nfs/dbraw/zinc/35/13/73/635351373.db2.gz KVGBIAJIBWJBEH-IYBDPMFKSA-N 0 1 288.435 3.286 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@H]1C ZINC000878150424 635380357 /nfs/dbraw/zinc/38/03/57/635380357.db2.gz DCHPKFQNWPQRKZ-KBPBESRZSA-N 0 1 263.381 3.029 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@H]1C ZINC000878150424 635380363 /nfs/dbraw/zinc/38/03/63/635380363.db2.gz DCHPKFQNWPQRKZ-KBPBESRZSA-N 0 1 263.381 3.029 20 10 CGCDMN COC(=O)c1sccc1CN[C@@H](C)c1ccccc1O ZINC000879651334 635828560 /nfs/dbraw/zinc/82/85/60/635828560.db2.gz RLWUIVTXXKUIBA-JTQLQIEISA-N 0 1 291.372 3.091 20 10 CGCDMN C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000105505014 635871946 /nfs/dbraw/zinc/87/19/46/635871946.db2.gz ZEIHHNBVRWFVSX-JOYOIKCWSA-N 0 1 284.197 3.433 20 10 CGCDMN CC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCS1 ZINC000128041618 635873103 /nfs/dbraw/zinc/87/31/03/635873103.db2.gz WMWTVEOGSOHOMK-JTQLQIEISA-N 0 1 271.813 3.373 20 10 CGCDMN CC[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CCS1 ZINC000128041618 635873107 /nfs/dbraw/zinc/87/31/07/635873107.db2.gz WMWTVEOGSOHOMK-JTQLQIEISA-N 0 1 271.813 3.373 20 10 CGCDMN CC[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CCS1 ZINC000128041618 635873112 /nfs/dbraw/zinc/87/31/12/635873112.db2.gz WMWTVEOGSOHOMK-JTQLQIEISA-N 0 1 271.813 3.373 20 10 CGCDMN CC(C)Cn1nccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846055336 636139984 /nfs/dbraw/zinc/13/99/84/636139984.db2.gz LFXHQMTVMILHGC-UHFFFAOYSA-N 0 1 293.798 3.188 20 10 CGCDMN CSc1ccc(CNCc2ccc3c(c2)CCO3)o1 ZINC000882954655 636477666 /nfs/dbraw/zinc/47/76/66/636477666.db2.gz SXKZNBCXIMYEKZ-UHFFFAOYSA-N 0 1 275.373 3.226 20 10 CGCDMN CC[C@H](NC1(c2ncccn2)CCC1)c1ccccc1O ZINC000883311685 636661830 /nfs/dbraw/zinc/66/18/30/636661830.db2.gz IYRGPYRQKZXIAY-AWEZNQCLSA-N 0 1 283.375 3.302 20 10 CGCDMN CCCc1ncc(CNCc2cccc(CC)c2O)o1 ZINC000848914831 636688984 /nfs/dbraw/zinc/68/89/84/636688984.db2.gz OMFKDFBCBITZQL-UHFFFAOYSA-N 0 1 274.364 3.185 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(Br)cc1[O-] ZINC000134915366 637050509 /nfs/dbraw/zinc/05/05/09/637050509.db2.gz GZMRRGFGVLBUGR-KXUCPTDWSA-N 0 1 284.197 3.461 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]CC2CCC(O)CC2)c2c1c(F)ccc2[O-] ZINC000850555124 637120700 /nfs/dbraw/zinc/12/07/00/637120700.db2.gz MEZSRTKWZJNVGU-DLOFLVKXSA-N 0 1 293.382 3.220 20 10 CGCDMN c1cnc2c(c1)CC[C@@H]2NCc1ccc(N2CCCC2)cc1 ZINC000886503020 637543823 /nfs/dbraw/zinc/54/38/23/637543823.db2.gz YDAQDLLJJSNJPJ-SFHVURJKSA-N 0 1 293.414 3.459 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](C)CNC)c1cc(Cl)cc(Cl)c1[O-] ZINC000854231113 638028494 /nfs/dbraw/zinc/02/84/94/638028494.db2.gz DUPHHXARWLQTDT-QPUJVOFHSA-N 0 1 291.222 3.348 20 10 CGCDMN CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000858486261 638738050 /nfs/dbraw/zinc/73/80/50/638738050.db2.gz SQWIBXKDPXBQIP-AAEUAGOBSA-N 0 1 285.815 3.493 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2csc(C)n2)c1 ZINC000041010359 639898378 /nfs/dbraw/zinc/89/83/78/639898378.db2.gz IYBQUSGTXRJEJQ-VIFPVBQESA-N 0 1 278.377 3.017 20 10 CGCDMN CCOc1cccc(CN[C@H](CC)c2nccs2)c1O ZINC000078004263 640277601 /nfs/dbraw/zinc/27/76/01/640277601.db2.gz SORROTANJVLCKG-GFCCVEGCSA-N 0 1 292.404 3.488 20 10 CGCDMN C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000194156519 640516005 /nfs/dbraw/zinc/51/60/05/640516005.db2.gz JBJJKTZBDHUHRZ-CQSZACIVSA-N 0 1 269.392 3.131 20 10 CGCDMN C[C@@H]1c2cccn2CCN1Cc1ccc(N(C)C)cc1 ZINC000194156519 640516010 /nfs/dbraw/zinc/51/60/10/640516010.db2.gz JBJJKTZBDHUHRZ-CQSZACIVSA-N 0 1 269.392 3.131 20 10 CGCDMN COC(=O)C1(N(C)Cc2cc(C)ccc2O)CCCCC1 ZINC000093359792 640769736 /nfs/dbraw/zinc/76/97/36/640769736.db2.gz PJEAVPSWCXGDSJ-UHFFFAOYSA-N 0 1 291.391 3.008 20 10 CGCDMN COc1cc(-c2nc3cc(C)cc(C)c3[nH]2)cc(O)c1O ZINC001250488806 805648898 /nfs/dbraw/zinc/64/88/98/805648898.db2.gz OHZWPHAGPXESOT-UHFFFAOYSA-N 0 1 284.315 3.267 20 10 CGCDMN Cc1cc(O)c(CN2C[C@H](C)OC[C@@H]2C)cc1C(C)C ZINC000045723094 798891161 /nfs/dbraw/zinc/89/11/61/798891161.db2.gz IOTYHAKAFMYRJL-KBPBESRZSA-N 0 1 277.408 3.433 20 10 CGCDMN Cc1cccnc1CNCc1ccc2c(c1)CCCN2C ZINC000071339939 798916916 /nfs/dbraw/zinc/91/69/16/798916916.db2.gz OKUYELCMMZBVDA-UHFFFAOYSA-N 0 1 281.403 3.062 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1[O-] ZINC000087778607 798947614 /nfs/dbraw/zinc/94/76/14/798947614.db2.gz FPYGXRLBWWGRPP-LRDDRELGSA-N 0 1 291.366 3.498 20 10 CGCDMN COc1ccc(CN2CCc3ccc(F)cc3C2)c(O)c1 ZINC000093383832 798963226 /nfs/dbraw/zinc/96/32/26/798963226.db2.gz AYIRJTWFWOWHLV-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN CN(C)c1ccc(CN2CCc3sccc3C2)cc1 ZINC000128509527 799018495 /nfs/dbraw/zinc/01/84/95/799018495.db2.gz UXFWGADXVOKSRI-UHFFFAOYSA-N 0 1 272.417 3.372 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)CC2(C)C)c1[O-] ZINC000380367838 799362328 /nfs/dbraw/zinc/36/23/28/799362328.db2.gz NQMYELMWIARXFR-SNVBAGLBSA-N 0 1 279.355 3.354 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)CC2(C)C)c1[O-] ZINC000380367838 799362335 /nfs/dbraw/zinc/36/23/35/799362335.db2.gz NQMYELMWIARXFR-SNVBAGLBSA-N 0 1 279.355 3.354 20 10 CGCDMN CCC1([NH2+]Cc2cc(Cl)ccc2[O-])CCOCC1 ZINC000389347653 799462275 /nfs/dbraw/zinc/46/22/75/799462275.db2.gz UNJPXZHHDBEDJL-UHFFFAOYSA-N 0 1 269.772 3.094 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@H]1C ZINC000390530716 799471898 /nfs/dbraw/zinc/47/18/98/799471898.db2.gz IJOSRHCZJDQDND-PTRXPTGYSA-N 0 1 284.197 3.289 20 10 CGCDMN CC[C@]1(C)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000399276746 799537936 /nfs/dbraw/zinc/53/79/36/799537936.db2.gz DMUPWBRJZSKIKT-MRXNPFEDSA-N 0 1 279.355 3.356 20 10 CGCDMN CC[C@]1(C)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000399276746 799537939 /nfs/dbraw/zinc/53/79/39/799537939.db2.gz DMUPWBRJZSKIKT-MRXNPFEDSA-N 0 1 279.355 3.356 20 10 CGCDMN Cc1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)o1 ZINC000689748849 799767527 /nfs/dbraw/zinc/76/75/27/799767527.db2.gz QFPGHPSGHKJHQT-UHFFFAOYSA-N 0 1 265.740 3.279 20 10 CGCDMN C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691394131 799784077 /nfs/dbraw/zinc/78/40/77/799784077.db2.gz AOPRWLDZLGJQLA-LDYMZIIASA-N 0 1 270.170 3.043 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000694791172 799824639 /nfs/dbraw/zinc/82/46/39/799824639.db2.gz XJDZCLOHUFQPQC-JGPRNRPPSA-N 0 1 269.772 3.091 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cc(F)ccc1[O-] ZINC000697750479 799848422 /nfs/dbraw/zinc/84/84/22/799848422.db2.gz CFKFBWGSIAFVSQ-DTWKUNHWSA-N 0 1 261.287 3.473 20 10 CGCDMN CCc1cccc(CN[C@H](C)c2cscn2)c1O ZINC000697903426 799849870 /nfs/dbraw/zinc/84/98/70/799849870.db2.gz SIQJPFJNWBWPGL-SNVBAGLBSA-N 0 1 262.378 3.262 20 10 CGCDMN C[C@@H]1[N@@H+](Cc2cccc(Cl)c2[O-])CCOC1(C)C ZINC000707696070 799978706 /nfs/dbraw/zinc/97/87/06/799978706.db2.gz FRXSAZPWSMBTTG-JTQLQIEISA-N 0 1 269.772 3.045 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](CF)C2)c1[O-] ZINC000711468488 800062007 /nfs/dbraw/zinc/06/20/07/800062007.db2.gz DWKJTTWWUSUKNT-JTQLQIEISA-N 0 1 285.746 3.040 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](CF)C2)c1[O-] ZINC000711468488 800062015 /nfs/dbraw/zinc/06/20/15/800062015.db2.gz DWKJTTWWUSUKNT-JTQLQIEISA-N 0 1 285.746 3.040 20 10 CGCDMN C[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715704530 800144364 /nfs/dbraw/zinc/14/43/64/800144364.db2.gz XAEZZYVUBXQXFL-MRVPVSSYSA-N 0 1 288.160 3.278 20 10 CGCDMN CC(C)C[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715702033 800144282 /nfs/dbraw/zinc/14/42/82/800144282.db2.gz HSRXVAFNJZRXAP-UHFFFAOYSA-N 0 1 290.176 3.382 20 10 CGCDMN CC[N@@H+](Cc1c[nH]c2ncccc12)Cc1ccccc1O ZINC001137404966 803729845 /nfs/dbraw/zinc/72/98/45/803729845.db2.gz XXIDDMFFERZMFE-UHFFFAOYSA-N 0 1 281.359 3.291 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001138127482 803862747 /nfs/dbraw/zinc/86/27/47/803862747.db2.gz FTQSFLFMXKWABO-ZDUSSCGKSA-N 0 1 286.350 3.306 20 10 CGCDMN O=C1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138215572 803874772 /nfs/dbraw/zinc/87/47/72/803874772.db2.gz JWARCIPFRFWEBV-UHFFFAOYSA-N 0 1 286.419 3.232 20 10 CGCDMN Cc1c(CN2C[C@@H](C)OC[C@H]2C)c2ccccc2n1C ZINC001138257883 803883063 /nfs/dbraw/zinc/88/30/63/803883063.db2.gz BNGMOBRTKWUHQG-CHWSQXEVSA-N 0 1 272.392 3.096 20 10 CGCDMN CN1CCCc2cc(C[N@@H+](C)Cc3cccc(O)c3)ccc21 ZINC001138354305 803900505 /nfs/dbraw/zinc/90/05/05/803900505.db2.gz DMXVFNRXVUYVMO-UHFFFAOYSA-N 0 1 296.414 3.407 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001139681100 804249941 /nfs/dbraw/zinc/24/99/41/804249941.db2.gz IGQZGOPFLMGRBK-GHMZBOCLSA-N 0 1 267.319 3.292 20 10 CGCDMN CC[C@@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685975 804254260 /nfs/dbraw/zinc/25/42/60/804254260.db2.gz HZUJAKKPIXUXAA-SNVBAGLBSA-N 0 1 255.308 3.292 20 10 CGCDMN C[N@@H+](Cc1ccc(Cl)cc1[O-])C[C@@H]1CCCCO1 ZINC001140467261 804443784 /nfs/dbraw/zinc/44/37/84/804443784.db2.gz SJHOPGINHQGRPD-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN C[N@H+](Cc1ccc(Cl)cc1[O-])C[C@@H]1CCCCO1 ZINC001140467261 804443786 /nfs/dbraw/zinc/44/37/86/804443786.db2.gz SJHOPGINHQGRPD-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c(OC)c1 ZINC001141032327 804575909 /nfs/dbraw/zinc/57/59/09/804575909.db2.gz YINNTILDQMRQPN-OLZOCXBDSA-N 0 1 293.407 3.277 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c(OC)c1 ZINC001141032327 804575911 /nfs/dbraw/zinc/57/59/11/804575911.db2.gz YINNTILDQMRQPN-OLZOCXBDSA-N 0 1 293.407 3.277 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c(OC)c1 ZINC001141032327 804575913 /nfs/dbraw/zinc/57/59/13/804575913.db2.gz YINNTILDQMRQPN-OLZOCXBDSA-N 0 1 293.407 3.277 20 10 CGCDMN CN1CCOc2cc(C[N@H+]3CC[C@H]3c3ccccc3)ccc21 ZINC001141144224 804596636 /nfs/dbraw/zinc/59/66/36/804596636.db2.gz WMGXTSYPMVGTMU-KRWDZBQOSA-N 0 1 294.398 3.462 20 10 CGCDMN CN1CCOc2cc(CN3CC[C@H]3c3ccccc3)ccc21 ZINC001141144224 804596638 /nfs/dbraw/zinc/59/66/38/804596638.db2.gz WMGXTSYPMVGTMU-KRWDZBQOSA-N 0 1 294.398 3.462 20 10 CGCDMN C[N@@H+](Cc1cnccn1)Cc1cccc(C(C)(C)C)c1O ZINC001143110972 804803754 /nfs/dbraw/zinc/80/37/54/804803754.db2.gz UFGHGFJRFOTDTE-UHFFFAOYSA-N 0 1 285.391 3.112 20 10 CGCDMN CN(Cc1cnccn1)Cc1cccc(C(C)(C)C)c1O ZINC001143110972 804803762 /nfs/dbraw/zinc/80/37/62/804803762.db2.gz UFGHGFJRFOTDTE-UHFFFAOYSA-N 0 1 285.391 3.112 20 10 CGCDMN CCC[N@@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144298998 804970762 /nfs/dbraw/zinc/97/07/62/804970762.db2.gz OGVPSLLRISKVRM-UHFFFAOYSA-N 0 1 276.149 3.136 20 10 CGCDMN Cc1cc(CN2CCCc3cc(O)c(O)cc3C2)cs1 ZINC001248803997 804997705 /nfs/dbraw/zinc/99/77/05/804997705.db2.gz HOAGCCYNMRJIDN-UHFFFAOYSA-N 0 1 289.400 3.416 20 10 CGCDMN Cc1ccc2nc(CN3CCc4cccc(O)c4C3)[nH]c2c1 ZINC001248842837 805016698 /nfs/dbraw/zinc/01/66/98/805016698.db2.gz MAKOGXYYCYRYJN-UHFFFAOYSA-N 0 1 293.370 3.135 20 10 CGCDMN C[C@@H]1CN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C[C@@H]1F ZINC001249223237 805115751 /nfs/dbraw/zinc/11/57/51/805115751.db2.gz BYSHHYDIDNFMSG-RISCZKNCSA-N 0 1 291.366 3.366 20 10 CGCDMN [O-]c1cc2ccccc2cc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167908459 807271602 /nfs/dbraw/zinc/27/16/02/807271602.db2.gz DURNLBKSURLHPT-MIFYACCESA-N 0 1 253.345 3.434 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])CCO1 ZINC001168090652 807309512 /nfs/dbraw/zinc/30/95/12/807309512.db2.gz GESNXQJJYXGPCK-BLLLJJGKSA-N 0 1 271.360 3.203 20 10 CGCDMN CC(C)(C)C[N@@H+](CCCO)Cc1ccc(Cl)cc1[O-] ZINC001180007314 809967428 /nfs/dbraw/zinc/96/74/28/809967428.db2.gz VEYACHIYACPFFA-UHFFFAOYSA-N 0 1 285.815 3.276 20 10 CGCDMN C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2[O-])CCO[C@@H]1C1CC1 ZINC001180592108 810011872 /nfs/dbraw/zinc/01/18/72/810011872.db2.gz BSLWUWOWBUKNPJ-CVEARBPZSA-N 0 1 295.810 3.340 20 10 CGCDMN [O-]c1c(C[N@H+]2C[C@H]3CCCC[C@H]32)ccc(F)c1F ZINC001182742695 810122341 /nfs/dbraw/zinc/12/23/41/810122341.db2.gz HGQRFELHHANXDD-BXKDBHETSA-N 0 1 253.292 3.045 20 10 CGCDMN [NH3+]C[C@@H]1CCCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001204931331 812781325 /nfs/dbraw/zinc/78/13/25/812781325.db2.gz AXLXEKXONKRPEQ-JTQLQIEISA-N 0 1 289.206 3.012 20 10 CGCDMN Cc1ccc(C)n1-c1ccc(CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001209516160 814071028 /nfs/dbraw/zinc/07/10/28/814071028.db2.gz BGNUPTXWHVLSTH-KDURUIRLSA-N 0 1 296.414 3.457 20 10 CGCDMN Cc1ccc(C)n1-c1ccc(CN2CCOC[C@H]2C)cc1 ZINC001209516677 814071641 /nfs/dbraw/zinc/07/16/41/814071641.db2.gz LPFAYIOYTILVMN-MRXNPFEDSA-N 0 1 284.403 3.315 20 10 CGCDMN O=C([O-])c1ccc(C[N@H+]2CCCc3ccccc3C2)c(O)c1 ZINC001231452192 818101884 /nfs/dbraw/zinc/10/18/84/818101884.db2.gz GEXROSWPXUPIHL-UHFFFAOYSA-N 0 1 297.354 3.039 20 10 CGCDMN Oc1ccc2ccccc2c1CN1CC2(C1)CCCCO2 ZINC001231586965 818130326 /nfs/dbraw/zinc/13/03/26/818130326.db2.gz NYNIKYLIKSDNTK-UHFFFAOYSA-N 0 1 283.371 3.300 20 10 CGCDMN CCOc1ccc(CN(C)Cc2ccc(N(C)C)cc2)cn1 ZINC001231655328 818148445 /nfs/dbraw/zinc/14/84/45/818148445.db2.gz CLLNIQJFHUGMHN-UHFFFAOYSA-N 0 1 299.418 3.178 20 10 CGCDMN COc1cc(N(C)C)ccc1CN(C)Cc1ccccc1 ZINC001231848462 818187666 /nfs/dbraw/zinc/18/76/66/818187666.db2.gz HKPMHPJRABAPRQ-UHFFFAOYSA-N 0 1 284.403 3.393 20 10 CGCDMN Cc1cc(C)c(CN2CCC[C@H]2c2ncccn2)c(O)c1 ZINC001231850172 818188277 /nfs/dbraw/zinc/18/82/77/818188277.db2.gz LFHHVWAJDDAROF-HNNXBMFYSA-N 0 1 283.375 3.136 20 10 CGCDMN CCN(Cc1cccnc1)Cc1ccc(N(C)C)cc1OC ZINC001231852969 818189515 /nfs/dbraw/zinc/18/95/15/818189515.db2.gz CRUTXCASXILSOR-UHFFFAOYSA-N 0 1 299.418 3.178 20 10 CGCDMN CC(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231881615 818198730 /nfs/dbraw/zinc/19/87/30/818198730.db2.gz YUFMMPZDZDGYKR-OAHLLOKOSA-N 0 1 283.371 3.346 20 10 CGCDMN CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231881615 818198734 /nfs/dbraw/zinc/19/87/34/818198734.db2.gz YUFMMPZDZDGYKR-OAHLLOKOSA-N 0 1 283.371 3.346 20 10 CGCDMN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001231911431 818210560 /nfs/dbraw/zinc/21/05/60/818210560.db2.gz FFNASYADTFRSTO-ZDUSSCGKSA-N 0 1 283.799 3.435 20 10 CGCDMN COc1cc([O-])c(C[NH+]2CCC(C)(F)CC2)cc1Cl ZINC001232265860 818298179 /nfs/dbraw/zinc/29/81/79/818298179.db2.gz GJPNZLMLBIYURG-UHFFFAOYSA-N 0 1 287.762 3.378 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CC[C@](C)(CF)C2)cc1Cl ZINC001232266622 818298950 /nfs/dbraw/zinc/29/89/50/818298950.db2.gz QHKRCQYSMXXZPZ-CQSZACIVSA-N 0 1 287.762 3.236 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CC[C@](C)(CF)C2)cc1Cl ZINC001232266622 818298955 /nfs/dbraw/zinc/29/89/55/818298955.db2.gz QHKRCQYSMXXZPZ-CQSZACIVSA-N 0 1 287.762 3.236 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CC[C@](C)(CF)C2)cc1Cl ZINC001232266622 818298960 /nfs/dbraw/zinc/29/89/60/818298960.db2.gz QHKRCQYSMXXZPZ-CQSZACIVSA-N 0 1 287.762 3.236 20 10 CGCDMN Cc1cc(O)cc(C[N@H+](C)Cc2ccccc2O)c1 ZINC001232885656 818464999 /nfs/dbraw/zinc/46/49/99/818464999.db2.gz MEFFNOQCZIRBFR-UHFFFAOYSA-N 0 1 257.333 3.038 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)[C@H](C)C1 ZINC001233335402 818585858 /nfs/dbraw/zinc/58/58/58/818585858.db2.gz SZZBPJABPDKREU-NXEZZACHSA-N 0 1 255.308 3.291 20 10 CGCDMN C[N@H+](Cc1cccc(C(F)(F)F)c1[O-])CC1CC1 ZINC001233415832 818614067 /nfs/dbraw/zinc/61/40/67/818614067.db2.gz JTDBBFAJHMBMAN-UHFFFAOYSA-N 0 1 259.271 3.253 20 10 CGCDMN C[N@@H+](Cc1cccc(-c2ccccc2)c1O)[C@H]1CCOC1 ZINC001234996864 818972491 /nfs/dbraw/zinc/97/24/91/818972491.db2.gz NXYMFPXGZGFBLW-INIZCTEOSA-N 0 1 283.371 3.280 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])CCCO1 ZINC001236794299 819598310 /nfs/dbraw/zinc/59/83/10/819598310.db2.gz RIYKKBHPKVRFLV-SECBINFHSA-N 0 1 290.190 3.310 20 10 CGCDMN COc1ccc(C[N@H+]2CCCC[C@H](F)C2)c([O-])c1Cl ZINC001236802105 819600163 /nfs/dbraw/zinc/60/01/63/819600163.db2.gz OOOLDCNRMAWXAE-NSHDSACASA-N 0 1 287.762 3.378 20 10 CGCDMN CCOc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C)c(O)c1 ZINC001237041956 819648264 /nfs/dbraw/zinc/64/82/64/819648264.db2.gz BDIDZJPXWKAMFS-QWHCGFSZSA-N 0 1 263.381 3.411 20 10 CGCDMN CCOc1ccc(C[N@H+]2CCC[C@H](C(F)F)C2)c(O)c1 ZINC001237041909 819648393 /nfs/dbraw/zinc/64/83/93/819648393.db2.gz PTUQDZMLDBNHDC-LBPRGKRZSA-N 0 1 285.334 3.268 20 10 CGCDMN COC(=O)[C@@]1(C)CCCN1Cc1ccc(C(C)C)cc1O ZINC001237046975 819650865 /nfs/dbraw/zinc/65/08/65/819650865.db2.gz YAIJPZIVOHQTME-QGZVFWFLSA-N 0 1 291.391 3.043 20 10 CGCDMN CCO[C@@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237124452 819672844 /nfs/dbraw/zinc/67/28/44/819672844.db2.gz LUSGMCZUKJJQJF-SNVBAGLBSA-N 0 1 287.762 3.186 20 10 CGCDMN CCO[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237124452 819672846 /nfs/dbraw/zinc/67/28/46/819672846.db2.gz LUSGMCZUKJJQJF-SNVBAGLBSA-N 0 1 287.762 3.186 20 10 CGCDMN C[N@@H+](Cc1c([O-])ccc(F)c1Cl)C[C@@H]1CCCCO1 ZINC001237127076 819673615 /nfs/dbraw/zinc/67/36/15/819673615.db2.gz UEJBSRXJTNBCDS-JTQLQIEISA-N 0 1 287.762 3.186 20 10 CGCDMN C[N@H+](Cc1c([O-])ccc(F)c1Cl)C[C@@H]1CCCCO1 ZINC001237127076 819673617 /nfs/dbraw/zinc/67/36/17/819673617.db2.gz UEJBSRXJTNBCDS-JTQLQIEISA-N 0 1 287.762 3.186 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237617986 819787273 /nfs/dbraw/zinc/78/72/73/819787273.db2.gz WCSWVTRFMWDWNB-QMTHXVAHSA-N 0 1 299.773 3.186 20 10 CGCDMN Cc1cc(Cl)cc(CN2C[C@H](F)C[C@H]2C)c1O ZINC001237680666 819807298 /nfs/dbraw/zinc/80/72/98/819807298.db2.gz GRNUSKVXPODFKL-BXKDBHETSA-N 0 1 257.736 3.286 20 10 CGCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001237805946 819847679 /nfs/dbraw/zinc/84/76/79/819847679.db2.gz POWRHUWVUZZQSF-HNNXBMFYSA-N 0 1 299.773 3.187 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CCCO1 ZINC001237936992 819887674 /nfs/dbraw/zinc/88/76/74/819887674.db2.gz MWYBUXQKFGMGOV-UHFFFAOYSA-N 0 1 287.762 3.186 20 10 CGCDMN CCc1noc(C)c1C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474538593 937206088 /nfs/dbraw/zinc/20/60/88/937206088.db2.gz WTCAXPXHQMEINY-UHFFFAOYSA-N 0 1 280.755 3.194 20 10 CGCDMN CC(C)[C@@H]1C[C@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC001308986425 928556782 /nfs/dbraw/zinc/55/67/82/928556782.db2.gz FCAZUHNQLKXKSW-NWDGAFQWSA-N 0 1 284.197 3.289 20 10 CGCDMN C[C@@H]1N(C/C=C/c2ccc(N(C)C)cc2)CCOC1(C)C ZINC001461961444 937609010 /nfs/dbraw/zinc/60/90/10/937609010.db2.gz RGZCJLUFPGIJOQ-LFAOLKIESA-N 0 1 288.435 3.265 20 10 CGCDMN C[C@](CO)([NH2+]Cc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001462108823 937618276 /nfs/dbraw/zinc/61/82/76/937618276.db2.gz BUFCDOXIAYYMCS-MRXNPFEDSA-N 0 1 291.778 3.043 20 10 CGCDMN COCC[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CC[C@H](C)C1 ZINC001462173302 937622921 /nfs/dbraw/zinc/62/29/21/937622921.db2.gz BOIDWXYUPZKUSI-SMDDNHRTSA-N 0 1 299.361 3.307 20 10 CGCDMN C[C@@H]1CC2(C[N@@H+]1Cc1ccc(Cl)cc1[O-])CCOCC2 ZINC001462370307 937636371 /nfs/dbraw/zinc/63/63/71/937636371.db2.gz YGAPWUBDGIOTDM-GFCCVEGCSA-N 0 1 295.810 3.437 20 10 CGCDMN C[C@@H]1CC2(C[N@H+]1Cc1ccc(Cl)cc1[O-])CCOCC2 ZINC001462370307 937636373 /nfs/dbraw/zinc/63/63/73/937636373.db2.gz YGAPWUBDGIOTDM-GFCCVEGCSA-N 0 1 295.810 3.437 20 10 CGCDMN COc1cc(C)c(C[N@@H+](C)Cc2cnc(C)s2)c(O)c1 ZINC001308592858 933137797 /nfs/dbraw/zinc/13/77/97/933137797.db2.gz NJFYISPLWHGQDY-UHFFFAOYSA-N 0 1 292.404 3.106 20 10 CGCDMN COc1cc(C)c(CN(C)Cc2cnc(C)s2)c(O)c1 ZINC001308592858 933137802 /nfs/dbraw/zinc/13/78/02/933137802.db2.gz NJFYISPLWHGQDY-UHFFFAOYSA-N 0 1 292.404 3.106 20 10 CGCDMN CC[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC001308632433 933146146 /nfs/dbraw/zinc/14/61/46/933146146.db2.gz ZXMYIPPQXYPVFL-XDWWLABZSA-N 0 1 288.435 3.265 20 10 CGCDMN Cc1ncc(CNCc2ccc3c(c2)CCCO3)s1 ZINC001334313168 936096427 /nfs/dbraw/zinc/09/64/27/936096427.db2.gz GNGGRQJNZYAQPT-UHFFFAOYSA-N 0 1 274.389 3.066 20 10 CGCDMN CC[N@@H+](Cc1ccc(Cl)cc1O)[C@@H]1CCCOC1 ZINC001474614637 937870535 /nfs/dbraw/zinc/87/05/35/937870535.db2.gz YBBYOLNTKBNHJJ-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[N@H+](Cc1ccc(Cl)cc1[O-])[C@@H]1CCCOC1 ZINC001474614637 937870537 /nfs/dbraw/zinc/87/05/37/937870537.db2.gz YBBYOLNTKBNHJJ-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@@H]1CCCOC1 ZINC001474614637 937870539 /nfs/dbraw/zinc/87/05/39/937870539.db2.gz YBBYOLNTKBNHJJ-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)C2CCCCC2)c(Cl)c1 ZINC001560308062 938252006 /nfs/dbraw/zinc/25/20/06/938252006.db2.gz XZJJRGBFOQZDKF-INIZCTEOSA-N 0 1 297.826 3.385 20 10 CGCDMN Nc1ccc(CN[C@@H]2COc3ccc(Cl)cc32)cc1 ZINC001580445549 962723388 /nfs/dbraw/zinc/72/33/88/962723388.db2.gz JTKOJEQONIQTET-CQSZACIVSA-N 0 1 274.751 3.146 20 10 CGCDMN CC[N@@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])C(C)C ZINC001596350624 983804183 /nfs/dbraw/zinc/80/41/83/983804183.db2.gz IRGKMKPPLLLYJI-UHFFFAOYSA-N 0 1 292.354 3.246 20 10 CGCDMN CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691502521 799785261 /nfs/dbraw/zinc/78/52/61/799785261.db2.gz UTNLBIVSZCLEJH-KOLCDFICSA-N 0 1 284.197 3.290 20 10 CGCDMN Cc1cccc([C@@H](O)C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000136474703 371477808 /nfs/dbraw/zinc/47/78/08/371477808.db2.gz CELHMGYFADAPQX-INIZCTEOSA-N 0 1 291.778 3.177 20 10 CGCDMN CCC1([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000294907261 372677906 /nfs/dbraw/zinc/67/79/06/372677906.db2.gz XTUASTIIPYDNQF-UHFFFAOYSA-N 0 1 270.170 3.187 20 10 CGCDMN Cc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)on1 ZINC000298720650 373390322 /nfs/dbraw/zinc/39/03/22/373390322.db2.gz ORSYBWZZRLWGSL-UHFFFAOYSA-N 0 1 287.407 3.460 20 10 CGCDMN Cc1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)on1 ZINC000298720650 373390330 /nfs/dbraw/zinc/39/03/30/373390330.db2.gz ORSYBWZZRLWGSL-UHFFFAOYSA-N 0 1 287.407 3.460 20 10 CGCDMN CC(C)n1cc(CN(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000178864770 373812076 /nfs/dbraw/zinc/81/20/76/373812076.db2.gz SQXYBIPAPPVVCY-UHFFFAOYSA-N 0 1 286.423 3.162 20 10 CGCDMN Oc1c(Cl)cccc1CN(CC(F)F)C1CC1 ZINC000180155447 373970294 /nfs/dbraw/zinc/97/02/94/373970294.db2.gz OAOFVMIAWKISGR-UHFFFAOYSA-N 0 1 261.699 3.275 20 10 CGCDMN CC[C@@]1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000191148992 375585804 /nfs/dbraw/zinc/58/58/04/375585804.db2.gz GTMCQXJRZGGXKD-AWEZNQCLSA-N 0 1 269.772 3.047 20 10 CGCDMN CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000191639641 375645845 /nfs/dbraw/zinc/64/58/45/375645845.db2.gz YKNQRFZRIZNLFQ-GUBZILKMSA-N 0 1 257.761 3.120 20 10 CGCDMN C[C@@H]([NH2+]CC(C)(C)N(C)C)c1cc(Cl)ccc1[O-] ZINC000273376056 378743151 /nfs/dbraw/zinc/74/31/51/378743151.db2.gz HGZNAFNHBJCSAE-SNVBAGLBSA-N 0 1 270.804 3.036 20 10 CGCDMN C[C@@]1(O)CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000366252247 382303942 /nfs/dbraw/zinc/30/39/42/382303942.db2.gz XWOKLONQVBGSCQ-GOSISDBHSA-N 0 1 285.387 3.282 20 10 CGCDMN C[C@@]1(O)CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000366252247 382303948 /nfs/dbraw/zinc/30/39/48/382303948.db2.gz XWOKLONQVBGSCQ-GOSISDBHSA-N 0 1 285.387 3.282 20 10 CGCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Cl)N1CCCCC1 ZINC000733323001 572555341 /nfs/dbraw/zinc/55/53/41/572555341.db2.gz IKSNEZVFNGQYFN-UHFFFAOYSA-N 0 1 296.842 3.400 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCCOC1)c1ccc2ccccc2c1[O-] ZINC000109543540 392366574 /nfs/dbraw/zinc/36/65/74/392366574.db2.gz UHOPRBXSUYQVEZ-JSGCOSHPSA-N 0 1 271.360 3.375 20 10 CGCDMN COC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132672574 392462348 /nfs/dbraw/zinc/46/23/48/392462348.db2.gz NSKSHSJYMPYUKP-MRVPVSSYSA-N 0 1 278.179 3.166 20 10 CGCDMN CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(O)ccc3ccccc32)C1 ZINC000173489657 392627382 /nfs/dbraw/zinc/62/73/82/392627382.db2.gz NJWZHXQYVCNDSQ-HNNXBMFYSA-N 0 1 298.430 3.319 20 10 CGCDMN CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000173489657 392627386 /nfs/dbraw/zinc/62/73/86/392627386.db2.gz NJWZHXQYVCNDSQ-HNNXBMFYSA-N 0 1 298.430 3.319 20 10 CGCDMN CO[C@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000191207177 392824790 /nfs/dbraw/zinc/82/47/90/392824790.db2.gz QZNBFAXOAGVMCW-VXGBXAGGSA-N 0 1 259.349 3.231 20 10 CGCDMN CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000037328873 173129538 /nfs/dbraw/zinc/12/95/38/173129538.db2.gz CREZWANYNBYZPR-GFCCVEGCSA-N 0 1 279.355 3.356 20 10 CGCDMN CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000037328873 173129542 /nfs/dbraw/zinc/12/95/42/173129542.db2.gz CREZWANYNBYZPR-GFCCVEGCSA-N 0 1 279.355 3.356 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000185089713 262040972 /nfs/dbraw/zinc/04/09/72/262040972.db2.gz FAFHOTCUGOJTBD-MNOVXSKESA-N 0 1 269.772 3.123 20 10 CGCDMN CC[C@@H](COC)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185503821 262056813 /nfs/dbraw/zinc/05/68/13/262056813.db2.gz UASHGQBVIOYBOX-ONGXEEELSA-N 0 1 257.761 3.121 20 10 CGCDMN C[C@@H](O)C[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185520946 262058552 /nfs/dbraw/zinc/05/85/52/262058552.db2.gz FRQQFKSRFPOQJT-MXWKQRLJSA-N 0 1 271.788 3.103 20 10 CGCDMN C[C@@H](N[C@H]1COc2cc(F)cc(F)c21)c1ccccc1O ZINC000368212319 267153052 /nfs/dbraw/zinc/15/30/52/267153052.db2.gz MPNXHFGSNOEYDK-RNCFNFMXSA-N 0 1 291.297 3.455 20 10 CGCDMN C[C@H](CCN(C)C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000049553312 278170458 /nfs/dbraw/zinc/17/04/58/278170458.db2.gz CRZHVWMCGLDUNY-SECBINFHSA-N 0 1 291.222 3.129 20 10 CGCDMN CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000124512951 288328868 /nfs/dbraw/zinc/32/88/68/288328868.db2.gz AVMDMTQNDRZNBI-JQWIXIFHSA-N 0 1 269.772 3.045 20 10 CGCDMN COCCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185037115 327836053 /nfs/dbraw/zinc/83/60/53/327836053.db2.gz XGELGHORGODRDV-JTQLQIEISA-N 0 1 257.761 3.123 20 10 CGCDMN C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000230659270 333319728 /nfs/dbraw/zinc/31/97/28/333319728.db2.gz UWYGDNGNMYZJQR-ZANVPECISA-N 0 1 299.292 3.119 20 10 CGCDMN Cc1nc(C)c(C[NH2+]Cc2c([O-])cccc2Cl)s1 ZINC000266127170 334690411 /nfs/dbraw/zinc/69/04/11/334690411.db2.gz BTEWUOBRKZKGNE-UHFFFAOYSA-N 0 1 282.796 3.409 20 10 CGCDMN CCOc1cccc(CN(C)Cc2occc2C)c1O ZINC000292747640 521332706 /nfs/dbraw/zinc/33/27/06/521332706.db2.gz IBTRUJZCDWJUQE-UHFFFAOYSA-N 0 1 275.348 3.324 20 10 CGCDMN CN(C)c1ccc(CNCc2cccc(F)c2F)cc1 ZINC000107038007 522210445 /nfs/dbraw/zinc/21/04/45/522210445.db2.gz PUCFYYSKAVANDG-UHFFFAOYSA-N 0 1 276.330 3.321 20 10 CGCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC000163754884 525427251 /nfs/dbraw/zinc/42/72/51/525427251.db2.gz YNHSIMSAOAKGPI-QMMMGPOBSA-N 0 1 270.170 3.043 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000278540515 525572625 /nfs/dbraw/zinc/57/26/25/525572625.db2.gz NYRITYCUWJLXJG-GBIKHYSHSA-N 0 1 269.772 3.121 20 10 CGCDMN Cc1c[nH]nc1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000289646978 526030292 /nfs/dbraw/zinc/03/02/92/526030292.db2.gz XYSYWQKRFDECHZ-UHFFFAOYSA-N 0 1 298.434 3.244 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000728562186 571811783 /nfs/dbraw/zinc/81/17/83/571811783.db2.gz HTRUTFFLPSCHES-INIZCTEOSA-N 0 1 268.360 3.315 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H]1C1CC1 ZINC000728562186 571811787 /nfs/dbraw/zinc/81/17/87/571811787.db2.gz HTRUTFFLPSCHES-INIZCTEOSA-N 0 1 268.360 3.315 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C2CCC2)c1[O-] ZINC000750823305 572328806 /nfs/dbraw/zinc/32/88/06/572328806.db2.gz QENBQXAXWRMQST-INIZCTEOSA-N 0 1 291.366 3.498 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C2CCC2)c1[O-] ZINC000750823305 572328809 /nfs/dbraw/zinc/32/88/09/572328809.db2.gz QENBQXAXWRMQST-INIZCTEOSA-N 0 1 291.366 3.498 20 10 CGCDMN C[C@H](NCc1cccc(Br)c1O)C(F)(F)F ZINC000309743763 618767484 /nfs/dbraw/zinc/76/74/84/618767484.db2.gz DZUXMXJYFKNICH-LURJTMIESA-N 0 1 298.102 3.195 20 10 CGCDMN CS[C@H](C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840905568 619099484 /nfs/dbraw/zinc/09/94/84/619099484.db2.gz AFLYNIDLHUCETO-SECBINFHSA-N 0 1 259.802 3.195 20 10 CGCDMN CC(C)[C@H]1CC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000775764917 628134159 /nfs/dbraw/zinc/13/41/59/628134159.db2.gz LPRUZLWIPNWRRN-GFCCVEGCSA-N 0 1 284.197 3.385 20 10 CGCDMN CC[C@H](NCc1ccn(CC)n1)c1ccc(C)cc1O ZINC000840840696 618250156 /nfs/dbraw/zinc/25/01/56/618250156.db2.gz NPUXZQZZWWNOFO-HNNXBMFYSA-N 0 1 273.380 3.158 20 10 CGCDMN COc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C)c(O)c1OC ZINC000892066789 618515689 /nfs/dbraw/zinc/51/56/89/618515689.db2.gz HRDLBISOASKGJJ-NEPJUHHUSA-N 0 1 279.380 3.030 20 10 CGCDMN CCC[N@@H+](CC)Cc1cccc(Br)c1[O-] ZINC000168989394 618738419 /nfs/dbraw/zinc/73/84/19/618738419.db2.gz ZPWUGQOBVLBOCG-UHFFFAOYSA-N 0 1 272.186 3.387 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])[C@H](C)C1 ZINC000310601835 618813235 /nfs/dbraw/zinc/81/32/35/618813235.db2.gz BPYCOEZNGJWADE-MFKMUULPSA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@H](C)C1 ZINC000310601835 618813238 /nfs/dbraw/zinc/81/32/38/618813238.db2.gz BPYCOEZNGJWADE-MFKMUULPSA-N 0 1 269.772 3.045 20 10 CGCDMN COC1(C)CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000311098670 618892104 /nfs/dbraw/zinc/89/21/04/618892104.db2.gz ARBNDWMSQIPORT-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN C[C@@H]1c2cccn2CCN1Cc1cc(F)cc(F)c1O ZINC000893879441 619326171 /nfs/dbraw/zinc/32/61/71/619326171.db2.gz GGCGVTFWLIAFFK-SNVBAGLBSA-N 0 1 278.302 3.049 20 10 CGCDMN CN(C)C1(C[N@H+](C)Cc2c([O-])ccc3ccccc32)CCC1 ZINC000187902401 619603292 /nfs/dbraw/zinc/60/32/92/619603292.db2.gz NPWCMDMBPHGMKM-UHFFFAOYSA-N 0 1 298.430 3.462 20 10 CGCDMN CN(C)C1(C[N@@H+](C)Cc2c([O-])ccc3ccccc32)CCC1 ZINC000187902401 619603297 /nfs/dbraw/zinc/60/32/97/619603297.db2.gz NPWCMDMBPHGMKM-UHFFFAOYSA-N 0 1 298.430 3.462 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000894779272 619632134 /nfs/dbraw/zinc/63/21/34/619632134.db2.gz FFMFHITUYKXVQS-UHFFFAOYSA-N 0 1 290.313 3.230 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000894942104 619685001 /nfs/dbraw/zinc/68/50/01/619685001.db2.gz PHCKTBGKYVWRGQ-OAHLLOKOSA-N 0 1 299.386 3.390 20 10 CGCDMN C[C@@H]1CC2(C[N@H+]1Cc1cc(F)cc(F)c1[O-])CCOCC2 ZINC000895084846 619721550 /nfs/dbraw/zinc/72/15/50/619721550.db2.gz JPDWTTRHEBKIDU-LLVKDONJSA-N 0 1 297.345 3.061 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000895841570 619892180 /nfs/dbraw/zinc/89/21/80/619892180.db2.gz CSGYCARCMSSWRK-WBMJQRKESA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1Cl ZINC000895841570 619892182 /nfs/dbraw/zinc/89/21/82/619892182.db2.gz CSGYCARCMSSWRK-WBMJQRKESA-N 0 1 295.810 3.355 20 10 CGCDMN [O-]c1c(C[NH2+][C@H]2COC[C@@H]2C2CC2)ccc2ccccc21 ZINC000898380410 620515066 /nfs/dbraw/zinc/51/50/66/620515066.db2.gz NYCHJNAGLOTEIS-SJORKVTESA-N 0 1 283.371 3.060 20 10 CGCDMN CC[C@@H]([NH2+]CC1(N)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000902407179 621292853 /nfs/dbraw/zinc/29/28/53/621292853.db2.gz PZJAOZTYWTVRIZ-LLVKDONJSA-N 0 1 289.206 3.231 20 10 CGCDMN CC[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000903393009 621718618 /nfs/dbraw/zinc/71/86/18/621718618.db2.gz DCKIXQFZDYPXJW-XDTLVQLUSA-N 0 1 269.772 3.121 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC2(C)C)c1[O-] ZINC000063071717 623292832 /nfs/dbraw/zinc/29/28/32/623292832.db2.gz UEBLHCMQUNWBHY-UHFFFAOYSA-N 0 1 265.328 3.108 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC2(C)C)c1[O-] ZINC000063071717 623292838 /nfs/dbraw/zinc/29/28/38/623292838.db2.gz UEBLHCMQUNWBHY-UHFFFAOYSA-N 0 1 265.328 3.108 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(F)cc1 ZINC000083551144 625644882 /nfs/dbraw/zinc/64/48/82/625644882.db2.gz HOZIWWODNGMKAM-UHFFFAOYSA-N 0 1 265.715 3.475 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC000324366950 623876496 /nfs/dbraw/zinc/87/64/96/623876496.db2.gz WXIIKRCPCRTAOS-GFCCVEGCSA-N 0 1 284.197 3.433 20 10 CGCDMN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccn1 ZINC000921475261 624598702 /nfs/dbraw/zinc/59/87/02/624598702.db2.gz UIHKVDTZXQJIAO-CYBMUJFWSA-N 0 1 268.360 3.257 20 10 CGCDMN CC(C)(NCc1cc(F)ccc1O)c1nccs1 ZINC000180730097 624768137 /nfs/dbraw/zinc/76/81/37/624768137.db2.gz DZTHVYVHTNTKPH-UHFFFAOYSA-N 0 1 266.341 3.013 20 10 CGCDMN CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000183058946 625044008 /nfs/dbraw/zinc/04/40/08/625044008.db2.gz FKFKXPCTAZEYKL-ZJUUUORDSA-N 0 1 267.344 3.258 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCO[C@H]1CCCCO1 ZINC000922232173 625987696 /nfs/dbraw/zinc/98/76/96/625987696.db2.gz HQHXXDINLSZMBK-HNNXBMFYSA-N 0 1 299.798 3.069 20 10 CGCDMN COc1cc(Cl)cc(CN2CC3(C2)CCCC3)c1O ZINC000839106023 626314860 /nfs/dbraw/zinc/31/48/60/626314860.db2.gz ZVPBHDCQNQLJNA-UHFFFAOYSA-N 0 1 281.783 3.430 20 10 CGCDMN COc1cccc(O)c1CN1CC(C)(CC(F)(F)F)C1 ZINC000839142820 626323079 /nfs/dbraw/zinc/32/30/79/626323079.db2.gz JUTSUYOXPWEMOO-UHFFFAOYSA-N 0 1 289.297 3.175 20 10 CGCDMN CC1(CC(F)(F)F)CN(Cc2ccccc2O)C1 ZINC000839143799 626323715 /nfs/dbraw/zinc/32/37/15/626323715.db2.gz SINUDJUKZZVQQX-UHFFFAOYSA-N 0 1 259.271 3.167 20 10 CGCDMN COc1cc(C)cc(CN(C)Cc2cnc(C)s2)c1O ZINC000754727539 626584917 /nfs/dbraw/zinc/58/49/17/626584917.db2.gz IGLFDNZHIFQZDL-UHFFFAOYSA-N 0 1 292.404 3.106 20 10 CGCDMN C[C@@H]1C[C@H](NCc2nccs2)c2c1c(F)ccc2O ZINC000756444685 626706570 /nfs/dbraw/zinc/70/65/70/626706570.db2.gz WHAISAGHNSUIRJ-SCZZXKLOSA-N 0 1 278.352 3.326 20 10 CGCDMN Cc1cc(CN[C@@H](C)c2ccc(C)c(C)c2O)on1 ZINC000756546474 626714213 /nfs/dbraw/zinc/71/42/13/626714213.db2.gz QHCVPOULALVLDO-LBPRGKRZSA-N 0 1 260.337 3.156 20 10 CGCDMN CC[C@H](NCc1ccc(N(C)C)cc1C)c1ccn(C)n1 ZINC000756587061 626718700 /nfs/dbraw/zinc/71/87/00/626718700.db2.gz WGAIGOWPDIMZEK-INIZCTEOSA-N 0 1 286.423 3.035 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000756611580 626720528 /nfs/dbraw/zinc/72/05/28/626720528.db2.gz WNJLWYACMTZJIE-NMKXLXIOSA-N 0 1 293.382 3.220 20 10 CGCDMN CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(C)C ZINC000756628907 626722268 /nfs/dbraw/zinc/72/22/68/626722268.db2.gz YRASXUKXOYDVNX-IINYFYTJSA-N 0 1 271.788 3.367 20 10 CGCDMN C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756732560 626728324 /nfs/dbraw/zinc/72/83/24/626728324.db2.gz JEIUAVGPUUMJQU-GMXVVIOVSA-N 0 1 295.398 3.466 20 10 CGCDMN C[C@H]1C[C@H](NCc2ncccc2F)c2c1c(F)ccc2O ZINC000756768178 626730725 /nfs/dbraw/zinc/73/07/25/626730725.db2.gz KQLKVKPZQKIFDB-CABZTGNLSA-N 0 1 290.313 3.404 20 10 CGCDMN CCCCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C(C)C ZINC000768439905 627479700 /nfs/dbraw/zinc/47/97/00/627479700.db2.gz PBSYFZGCVFCSQW-INIZCTEOSA-N 0 1 293.407 3.219 20 10 CGCDMN CCCCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C(C)C ZINC000768439905 627479703 /nfs/dbraw/zinc/47/97/03/627479703.db2.gz PBSYFZGCVFCSQW-INIZCTEOSA-N 0 1 293.407 3.219 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCOC1 ZINC000768531127 627484770 /nfs/dbraw/zinc/48/47/70/627484770.db2.gz WEYOPSTYKVJOBR-CQSZACIVSA-N 0 1 263.381 3.031 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCOC1 ZINC000768531127 627484771 /nfs/dbraw/zinc/48/47/71/627484771.db2.gz WEYOPSTYKVJOBR-CQSZACIVSA-N 0 1 263.381 3.031 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+](CCCO)C1CC1 ZINC000769404209 627549468 /nfs/dbraw/zinc/54/94/68/627549468.db2.gz KMAQOXCTJOXLFW-UHFFFAOYSA-N 0 1 290.190 3.046 20 10 CGCDMN CCOc1ccc(C[N@H+]2CC[C@@H](C(C)C)C2)c(O)c1 ZINC000770307602 627612558 /nfs/dbraw/zinc/61/25/58/627612558.db2.gz TYNNKWYSRCXICO-CYBMUJFWSA-N 0 1 263.381 3.269 20 10 CGCDMN CC[C@H]([NH2+][C@H]1CCCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000775493512 628100289 /nfs/dbraw/zinc/10/02/89/628100289.db2.gz UNBOBMMURKASSV-JSGCOSHPSA-N 0 1 282.815 3.181 20 10 CGCDMN CC[C@@H](O)CC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775513982 628102499 /nfs/dbraw/zinc/10/24/99/628102499.db2.gz PTTFPOZYOBIUOV-YPMHNXCESA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cc(C)ncn1)c1cc(Cl)ccc1[O-] ZINC000775522963 628103516 /nfs/dbraw/zinc/10/35/16/628103516.db2.gz CWQGKMUXXTUUQI-CQSZACIVSA-N 0 1 291.782 3.385 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCSC1 ZINC000775648702 628119082 /nfs/dbraw/zinc/11/90/82/628119082.db2.gz HTBYACYGZFDCPR-SNVBAGLBSA-N 0 1 275.776 3.122 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000775675068 628123734 /nfs/dbraw/zinc/12/37/34/628123734.db2.gz RGIKQXLSWLDALI-CYBMUJFWSA-N 0 1 291.782 3.079 20 10 CGCDMN CCC[N@H+](CC[C@@H]1CCOC1)Cc1ccccc1[O-] ZINC000783554644 628724974 /nfs/dbraw/zinc/72/49/74/628724974.db2.gz DBCZQEOCSJJNRE-CQSZACIVSA-N 0 1 263.381 3.031 20 10 CGCDMN CCC[N@@H+](CC[C@@H]1CCOC1)Cc1ccccc1[O-] ZINC000783554644 628724978 /nfs/dbraw/zinc/72/49/78/628724978.db2.gz DBCZQEOCSJJNRE-CQSZACIVSA-N 0 1 263.381 3.031 20 10 CGCDMN CC(C)(C)OC1CC([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000784679170 628829268 /nfs/dbraw/zinc/82/92/68/628829268.db2.gz SJPYMRPXQKSYBZ-UHFFFAOYSA-N 0 1 283.799 3.481 20 10 CGCDMN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000785987197 628905472 /nfs/dbraw/zinc/90/54/72/628905472.db2.gz GCTGUIMZSWSXML-GYSYKLTISA-N 0 1 283.799 3.027 20 10 CGCDMN C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000785988324 628905804 /nfs/dbraw/zinc/90/58/04/628905804.db2.gz LDHGCYRJTZTLAG-JTNHKYCSSA-N 0 1 283.799 3.027 20 10 CGCDMN C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000785988324 628905805 /nfs/dbraw/zinc/90/58/05/628905805.db2.gz LDHGCYRJTZTLAG-JTNHKYCSSA-N 0 1 283.799 3.027 20 10 CGCDMN CC[C@H]([NH2+]CCc1cncn1C)c1cc(Cl)ccc1[O-] ZINC000788255381 629043082 /nfs/dbraw/zinc/04/30/82/629043082.db2.gz HOBOEGSTMCFTQX-AWEZNQCLSA-N 0 1 293.798 3.063 20 10 CGCDMN CC(C)c1cnc(NC(=O)c2c(F)ccc(O)c2O)s1 ZINC000789987240 629177538 /nfs/dbraw/zinc/17/75/38/629177538.db2.gz QIISXCBNFCBXNA-UHFFFAOYSA-N 0 1 296.323 3.069 20 10 CGCDMN CC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000125512191 634716105 /nfs/dbraw/zinc/71/61/05/634716105.db2.gz QABUBOYMEHCACL-GOSISDBHSA-N 0 1 288.435 3.288 20 10 CGCDMN Cc1nccc(NCc2ccc(N(C)C)c(F)c2)c1Cl ZINC000792688301 629375695 /nfs/dbraw/zinc/37/56/95/629375695.db2.gz DKNIIRPYHQXQLJ-UHFFFAOYSA-N 0 1 293.773 3.283 20 10 CGCDMN CN(C)c1ccc(CN2CCC(F)(F)CC2)cc1F ZINC000793359448 629448014 /nfs/dbraw/zinc/44/80/14/629448014.db2.gz MKHRPEYAAGVWLB-UHFFFAOYSA-N 0 1 272.314 3.123 20 10 CGCDMN CC1=C[C@@H](C)C[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000797605707 629970255 /nfs/dbraw/zinc/97/02/55/629970255.db2.gz VDSXMQNOOBMENK-SNVBAGLBSA-N 0 1 251.757 3.444 20 10 CGCDMN CC1=C[C@@H](C)C[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000797605707 629970259 /nfs/dbraw/zinc/97/02/59/629970259.db2.gz VDSXMQNOOBMENK-SNVBAGLBSA-N 0 1 251.757 3.444 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000798503573 630060455 /nfs/dbraw/zinc/06/04/55/630060455.db2.gz KGLRIDGJZJLIQO-ZDUSSCGKSA-N 0 1 297.826 3.324 20 10 CGCDMN FC(F)c1ccc(CNCc2ccc3c(c2)CCO3)cn1 ZINC000865440578 630125593 /nfs/dbraw/zinc/12/55/93/630125593.db2.gz JUABFGGJATUXGV-UHFFFAOYSA-N 0 1 290.313 3.244 20 10 CGCDMN Cc1cccc(CN(C)Cc2cnc(C(C)C)nc2)c1O ZINC000799736673 630228602 /nfs/dbraw/zinc/22/86/02/630228602.db2.gz CFHXJKGUCZIWHK-UHFFFAOYSA-N 0 1 285.391 3.246 20 10 CGCDMN CCCC[N@H+](CCC[C@@H](C)O)Cc1ccccc1[O-] ZINC000801595154 630346512 /nfs/dbraw/zinc/34/65/12/630346512.db2.gz WNQFDIVJCBLEKG-CQSZACIVSA-N 0 1 265.397 3.155 20 10 CGCDMN CCCC[N@@H+](CCC[C@@H](C)O)Cc1ccccc1[O-] ZINC000801595154 630346513 /nfs/dbraw/zinc/34/65/13/630346513.db2.gz WNQFDIVJCBLEKG-CQSZACIVSA-N 0 1 265.397 3.155 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000806181296 630553393 /nfs/dbraw/zinc/55/33/93/630553393.db2.gz WWOVFMZBENKKCZ-PELKAZGASA-N 0 1 286.278 3.139 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(C)CCOC2)c1[O-] ZINC000808696793 630665971 /nfs/dbraw/zinc/66/59/71/630665971.db2.gz WNBGSURWXFLDNY-ABAIWWIYSA-N 0 1 283.799 3.431 20 10 CGCDMN CC[C@@H]([NH2+]CC[C@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219504 630855990 /nfs/dbraw/zinc/85/59/90/630855990.db2.gz SZEATVVYFHUIIJ-JOYOIKCWSA-N 0 1 291.313 3.223 20 10 CGCDMN Oc1c(Cl)cc(Cl)cc1CN1CCCc2n[nH]cc21 ZINC000811497781 631075998 /nfs/dbraw/zinc/07/59/98/631075998.db2.gz UYDRMSNHHQAUPM-UHFFFAOYSA-N 0 1 298.173 3.375 20 10 CGCDMN C[C@@H]1N(Cc2cc(Cl)c(F)cc2O)CCOC1(C)C ZINC000816513149 632001013 /nfs/dbraw/zinc/00/10/13/632001013.db2.gz IBIUDCSMQIEFAF-VIFPVBQESA-N 0 1 287.762 3.184 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816519980 632001951 /nfs/dbraw/zinc/00/19/51/632001951.db2.gz BSJNTYZCTTVOTM-SECBINFHSA-N 0 1 257.736 3.417 20 10 CGCDMN CO[C@H](C)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816545534 632007369 /nfs/dbraw/zinc/00/73/69/632007369.db2.gz UMMDSVQSXPZUGL-GFCCVEGCSA-N 0 1 259.349 3.060 20 10 CGCDMN COc1cc(C[NH2+]Cc2ccc3ccccc3c2[O-])ccn1 ZINC000816548183 632007759 /nfs/dbraw/zinc/00/77/59/632007759.db2.gz YTZPAJXIMCKKNY-UHFFFAOYSA-N 0 1 294.354 3.239 20 10 CGCDMN [O-]c1c(C[NH2+]CCc2ccncc2)ccc2ccccc21 ZINC000816556410 632011457 /nfs/dbraw/zinc/01/14/57/632011457.db2.gz IIWCSSHMJLDMGF-UHFFFAOYSA-N 0 1 278.355 3.273 20 10 CGCDMN [O-]c1c(C[NH2+]CCNc2ccccn2)ccc2ccccc21 ZINC000816562827 632013284 /nfs/dbraw/zinc/01/32/84/632013284.db2.gz AOXJTHNQXZYTLC-UHFFFAOYSA-N 0 1 293.370 3.142 20 10 CGCDMN C[N@@H+](Cc1ccccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816568824 632015157 /nfs/dbraw/zinc/01/51/57/632015157.db2.gz RADVYFCUXZHWHX-UHFFFAOYSA-N 0 1 280.730 3.212 20 10 CGCDMN CO[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC[C@H]1C ZINC000816586394 632018084 /nfs/dbraw/zinc/01/80/84/632018084.db2.gz GSKJYKONPLQZGD-YMTOWFKASA-N 0 1 287.762 3.042 20 10 CGCDMN C[C@H]1COC(C)(C)CN1Cc1cc(Cl)c(F)cc1O ZINC000816591637 632019752 /nfs/dbraw/zinc/01/97/52/632019752.db2.gz JYIGZJWYWPEHRH-VIFPVBQESA-N 0 1 287.762 3.184 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000818230031 632299910 /nfs/dbraw/zinc/29/99/10/632299910.db2.gz MUGSTKKPANWDJH-GXFFZTMASA-N 0 1 251.757 3.324 20 10 CGCDMN CN(C)c1cc(F)c(CN[C@@H]2C[C@H]2C(F)(F)F)cc1F ZINC000865752732 632878736 /nfs/dbraw/zinc/87/87/36/632878736.db2.gz BHGPXXQHBRPTBG-LDYMZIIASA-N 0 1 294.267 3.071 20 10 CGCDMN COc1ccc(O)c(CN[C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000822497824 632949297 /nfs/dbraw/zinc/94/92/97/632949297.db2.gz MCHHHNFRGWZJKQ-IAGOWNOFSA-N 0 1 287.334 3.128 20 10 CGCDMN C[C@H](CCO)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824516621 633253051 /nfs/dbraw/zinc/25/30/51/633253051.db2.gz MQZGCTUGMURHFG-ZDUSSCGKSA-N 0 1 273.376 3.044 20 10 CGCDMN C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876572076 634860009 /nfs/dbraw/zinc/86/00/09/634860009.db2.gz IPDLXQAYSBPAEY-SECBINFHSA-N 0 1 267.275 3.456 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1C ZINC000824820934 633296180 /nfs/dbraw/zinc/29/61/80/633296180.db2.gz RCRBGGUYUOLQQJ-CXAGYDPISA-N 0 1 285.387 3.402 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1C ZINC000824820934 633296184 /nfs/dbraw/zinc/29/61/84/633296184.db2.gz RCRBGGUYUOLQQJ-CXAGYDPISA-N 0 1 285.387 3.402 20 10 CGCDMN CCn1ccnc1[C@@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000825005360 633316305 /nfs/dbraw/zinc/31/63/05/633316305.db2.gz IITDEZSETVRGDK-VXGBXAGGSA-N 0 1 289.379 3.029 20 10 CGCDMN Cc1noc(C)c1CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825233928 633338310 /nfs/dbraw/zinc/33/83/10/633338310.db2.gz JOESGOXXESGWFT-UHFFFAOYSA-N 0 1 294.782 3.291 20 10 CGCDMN Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])o1 ZINC000825304447 633343606 /nfs/dbraw/zinc/34/36/06/633343606.db2.gz XZALATZFSKAEEJ-CQSZACIVSA-N 0 1 295.766 3.079 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H](CCO)CC(C)C)cc1Cl ZINC000825320596 633344435 /nfs/dbraw/zinc/34/44/35/633344435.db2.gz NBYVSFKBTPBQBE-CYBMUJFWSA-N 0 1 299.842 3.488 20 10 CGCDMN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825316577 633344752 /nfs/dbraw/zinc/34/47/52/633344752.db2.gz XFNSESVHHYLRGA-GWCFXTLKSA-N 0 1 285.815 3.241 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1Cl ZINC000825338056 633347352 /nfs/dbraw/zinc/34/73/52/633347352.db2.gz RLSYRNGJYPBXLH-BJJXKVORSA-N 0 1 295.810 3.401 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C[C@@H]2CCOC2)cc1Cl ZINC000825347084 633347860 /nfs/dbraw/zinc/34/78/60/633347860.db2.gz IROGXKBTZXZONW-RYUDHWBXSA-N 0 1 283.799 3.259 20 10 CGCDMN CS[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000826049056 633400386 /nfs/dbraw/zinc/40/03/86/633400386.db2.gz OEYGJYOSHNUFNR-NSHDSACASA-N 0 1 271.813 3.291 20 10 CGCDMN CS[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000826049056 633400381 /nfs/dbraw/zinc/40/03/81/633400381.db2.gz OEYGJYOSHNUFNR-NSHDSACASA-N 0 1 271.813 3.291 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCC[C@H]2CCOC2)cc1Cl ZINC000826096722 633405474 /nfs/dbraw/zinc/40/54/74/633405474.db2.gz ASZSEEYBXUXBJA-LBPRGKRZSA-N 0 1 283.799 3.260 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H](O)C(C)C ZINC000826121234 633406637 /nfs/dbraw/zinc/40/66/37/633406637.db2.gz NXBILHISRXSGFA-UKRRQHHQSA-N 0 1 285.815 3.239 20 10 CGCDMN CC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC000826130521 633407946 /nfs/dbraw/zinc/40/79/46/633407946.db2.gz JDZDNNDCNUAZTC-OLZOCXBDSA-N 0 1 283.799 3.401 20 10 CGCDMN COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1O ZINC000826538561 633412550 /nfs/dbraw/zinc/41/25/50/633412550.db2.gz GARVRAZBHTUMCC-GWCFXTLKSA-N 0 1 281.783 3.429 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@](O)(C3CC3)C2)c(Cl)c1 ZINC000827151943 633465127 /nfs/dbraw/zinc/46/51/27/633465127.db2.gz NQBKPXAVFZSGRR-MRXNPFEDSA-N 0 1 295.810 3.091 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c(Cl)c1 ZINC000827151943 633465130 /nfs/dbraw/zinc/46/51/30/633465130.db2.gz NQBKPXAVFZSGRR-MRXNPFEDSA-N 0 1 295.810 3.091 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@](O)(C3CC3)C2)c(Cl)c1 ZINC000827151943 633465134 /nfs/dbraw/zinc/46/51/34/633465134.db2.gz NQBKPXAVFZSGRR-MRXNPFEDSA-N 0 1 295.810 3.091 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC000830586905 633873097 /nfs/dbraw/zinc/87/30/97/633873097.db2.gz YUYJYEIJDXAPTJ-WKPIXPDZSA-N 0 1 277.339 3.012 20 10 CGCDMN CCn1ccnc1[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000834589429 634193067 /nfs/dbraw/zinc/19/30/67/634193067.db2.gz JYTUDBNGCSMVSM-CQSZACIVSA-N 0 1 286.423 3.128 20 10 CGCDMN CC[C@@H]([NH2+]CC[C@H](C)CCO)c1cc(Cl)ccc1[O-] ZINC000834832209 634251512 /nfs/dbraw/zinc/25/15/12/634251512.db2.gz MTMIENNOBGGKKO-SMDDNHRTSA-N 0 1 285.815 3.495 20 10 CGCDMN C[C@H](CCCO)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834870122 634259941 /nfs/dbraw/zinc/25/99/41/634259941.db2.gz GHNOVHBQUPGXPC-NQBHXWOUSA-N 0 1 281.371 3.078 20 10 CGCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1[N+](=O)[O-] ZINC000873184323 634273381 /nfs/dbraw/zinc/27/33/81/634273381.db2.gz LTUHMYRXBOWRRR-GFCCVEGCSA-N 0 1 298.342 3.381 20 10 CGCDMN Cc1noc(C)c1CNC/C=C\c1ccc(N(C)C)cc1 ZINC000835034933 634327589 /nfs/dbraw/zinc/32/75/89/634327589.db2.gz CDSCUPYKGGPKPM-WAYWQWQTSA-N 0 1 285.391 3.160 20 10 CGCDMN Cc1cccc(O)c1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000876656237 634875923 /nfs/dbraw/zinc/87/59/23/634875923.db2.gz IQOSFNPNHREACT-AWEZNQCLSA-N 0 1 271.364 3.151 20 10 CGCDMN Cc1cccc(O)c1CN1CCOC[C@@H]1c1ccccc1 ZINC000876771639 634896489 /nfs/dbraw/zinc/89/64/89/634896489.db2.gz VSTQQMMLNVRELV-QGZVFWFLSA-N 0 1 283.371 3.274 20 10 CGCDMN C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877317617 635024552 /nfs/dbraw/zinc/02/45/52/635024552.db2.gz UXUREYSYWVXIQK-SNVBAGLBSA-N 0 1 278.302 3.258 20 10 CGCDMN C[C@@H](C[N@@H+](C)Cc1ccc(F)c(F)c1[O-])c1nccs1 ZINC000877316335 635024953 /nfs/dbraw/zinc/02/49/53/635024953.db2.gz VKGUWJFUKGCKEW-VIFPVBQESA-N 0 1 298.358 3.362 20 10 CGCDMN CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000840764685 635049159 /nfs/dbraw/zinc/04/91/59/635049159.db2.gz XXOLEKGLTONNFV-JLLWLGSASA-N 0 1 269.772 3.264 20 10 CGCDMN Cc1ncc(CN[C@H](C)c2ccc(C)c(C)c2O)o1 ZINC000840794020 635053980 /nfs/dbraw/zinc/05/39/80/635053980.db2.gz BTEMSQWRECPRNH-LLVKDONJSA-N 0 1 260.337 3.156 20 10 CGCDMN Cc1ncc(CN[C@H](C)c2cc3c(cc2O)CCCC3)o1 ZINC000840794047 635054184 /nfs/dbraw/zinc/05/41/84/635054184.db2.gz CBUAGQSNLDCSFE-LLVKDONJSA-N 0 1 286.375 3.418 20 10 CGCDMN CCn1ccc(CN[C@H](C)c2ccc(C)c(C)c2O)n1 ZINC000840841533 635062350 /nfs/dbraw/zinc/06/23/50/635062350.db2.gz VOMJAPXMDCVXAN-CYBMUJFWSA-N 0 1 273.380 3.076 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c(Cl)c1 ZINC000840917748 635083023 /nfs/dbraw/zinc/08/30/23/635083023.db2.gz MEABOKBMVOQSMQ-NWDGAFQWSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c(Cl)c1 ZINC000840917748 635083025 /nfs/dbraw/zinc/08/30/25/635083025.db2.gz MEABOKBMVOQSMQ-NWDGAFQWSA-N 0 1 283.799 3.089 20 10 CGCDMN COC(C)(C)C[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840920251 635083360 /nfs/dbraw/zinc/08/33/60/635083360.db2.gz UKTXPEQJPIAGGW-UHFFFAOYSA-N 0 1 271.788 3.211 20 10 CGCDMN COC(C)(C)C[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840920251 635083364 /nfs/dbraw/zinc/08/33/64/635083364.db2.gz UKTXPEQJPIAGGW-UHFFFAOYSA-N 0 1 271.788 3.211 20 10 CGCDMN CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840938745 635085615 /nfs/dbraw/zinc/08/56/15/635085615.db2.gz GMNLJQNOARVHML-GHMZBOCLSA-N 0 1 299.798 3.031 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@H](C2CCC2)C1 ZINC000840955457 635092193 /nfs/dbraw/zinc/09/21/93/635092193.db2.gz VCXHJAQNRVXDBS-AWEZNQCLSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)ccc(F)c1F ZINC000877613693 635112888 /nfs/dbraw/zinc/11/28/88/635112888.db2.gz AFHULISPQZLYNT-ZDUSSCGKSA-N 0 1 289.272 3.292 20 10 CGCDMN COc1cccnc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841755518 635229850 /nfs/dbraw/zinc/22/98/50/635229850.db2.gz IBCRFQOUQVMEPP-JTQLQIEISA-N 0 1 292.766 3.300 20 10 CGCDMN CCn1ccnc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758836 635231242 /nfs/dbraw/zinc/23/12/42/635231242.db2.gz VJMJSNAGUIFTTP-JTQLQIEISA-N 0 1 279.771 3.113 20 10 CGCDMN CCn1ccnc1CN[C@@H](C)c1ccc(Cl)cc1O ZINC000841758836 635231246 /nfs/dbraw/zinc/23/12/46/635231246.db2.gz VJMJSNAGUIFTTP-JTQLQIEISA-N 0 1 279.771 3.113 20 10 CGCDMN CSC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757914 635231697 /nfs/dbraw/zinc/23/16/97/635231697.db2.gz GILZDPRXVKVQES-IUCAKERBSA-N 0 1 259.802 3.448 20 10 CGCDMN C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(Cl)cc1[O-] ZINC000841758049 635232033 /nfs/dbraw/zinc/23/20/33/635232033.db2.gz RLFNOLFEDVYKRF-SNVBAGLBSA-N 0 1 267.756 3.043 20 10 CGCDMN C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)O1 ZINC000126884168 635351106 /nfs/dbraw/zinc/35/11/06/635351106.db2.gz KVGBIAJIBWJBEH-HZPDHXFCSA-N 0 1 288.435 3.286 20 10 CGCDMN C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(Cl)cc1[O-] ZINC000842894499 635507384 /nfs/dbraw/zinc/50/73/84/635507384.db2.gz HQWPUHSSOWSKTG-LLVKDONJSA-N 0 1 291.778 3.389 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCO[C@H]1C ZINC000878565646 635558073 /nfs/dbraw/zinc/55/80/73/635558073.db2.gz NFTFLMNOUUXWSQ-GJZGRUSLSA-N 0 1 277.408 3.419 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@H]1C ZINC000878565646 635558078 /nfs/dbraw/zinc/55/80/78/635558078.db2.gz NFTFLMNOUUXWSQ-GJZGRUSLSA-N 0 1 277.408 3.419 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@H]1C ZINC000878565646 635558084 /nfs/dbraw/zinc/55/80/84/635558084.db2.gz NFTFLMNOUUXWSQ-GJZGRUSLSA-N 0 1 277.408 3.419 20 10 CGCDMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000846168632 636152075 /nfs/dbraw/zinc/15/20/75/636152075.db2.gz LFWAZQKYZUHWIP-NWDGAFQWSA-N 0 1 289.379 3.029 20 10 CGCDMN COc1ccc2c(c1)CCCC[N@H+]2CC1(CC(=O)[O-])CC1 ZINC000846253100 636167349 /nfs/dbraw/zinc/16/73/49/636167349.db2.gz GTURDWJXVCXDPR-UHFFFAOYSA-N 0 1 289.375 3.093 20 10 CGCDMN COc1ccc2c(c1)CCCC[N@@H+]2CC1(CC(=O)[O-])CC1 ZINC000846253100 636167351 /nfs/dbraw/zinc/16/73/51/636167351.db2.gz GTURDWJXVCXDPR-UHFFFAOYSA-N 0 1 289.375 3.093 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCC2(C)C)c1[O-] ZINC000846959451 636294320 /nfs/dbraw/zinc/29/43/20/636294320.db2.gz IPVGGZLXXQDFGQ-ZDUSSCGKSA-N 0 1 265.328 3.012 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000848560695 636606694 /nfs/dbraw/zinc/60/66/94/636606694.db2.gz QCYGMMHBOZUHQD-CVEARBPZSA-N 0 1 295.810 3.483 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848574614 636613104 /nfs/dbraw/zinc/61/31/04/636613104.db2.gz GLZRFDAWSICZPY-LSDHHAIUSA-N 0 1 294.826 3.152 20 10 CGCDMN COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000883319446 636670110 /nfs/dbraw/zinc/67/01/10/636670110.db2.gz CDZSTWXDOMIMCZ-JBLDHEPKSA-N 0 1 269.772 3.121 20 10 CGCDMN CCOc1ccc(CN[C@@H](C)c2cscn2)c(O)c1 ZINC000850359326 637028397 /nfs/dbraw/zinc/02/83/97/637028397.db2.gz DRCZODLAAXKYRO-JTQLQIEISA-N 0 1 278.377 3.098 20 10 CGCDMN Cc1ccnc(NCc2cc3c(cc2O)OCO3)c1C1CC1 ZINC000850362246 637028965 /nfs/dbraw/zinc/02/89/65/637028965.db2.gz KGMYCWJJXGIDGX-UHFFFAOYSA-N 0 1 298.342 3.314 20 10 CGCDMN CC[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1ccc(C)cc1O ZINC000850498763 637091260 /nfs/dbraw/zinc/09/12/60/637091260.db2.gz CRANZYVNLVPJPD-XBFCOCLRSA-N 0 1 286.379 3.039 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(Cl)ccc1[O-] ZINC000850515637 637099310 /nfs/dbraw/zinc/09/93/10/637099310.db2.gz MRNJDPZWCRRPFY-GWCFXTLKSA-N 0 1 283.799 3.247 20 10 CGCDMN CN(C)c1ccc(/C=C\CNCc2cc(C3CC3)no2)cc1 ZINC000886269038 637475329 /nfs/dbraw/zinc/47/53/29/637475329.db2.gz JOBPQKCCJKOMHR-ARJAWSKDSA-N 0 1 297.402 3.421 20 10 CGCDMN C[C@H](NCc1cc(C2CC2)no1)c1ccccc1O ZINC000851896274 637534967 /nfs/dbraw/zinc/53/49/67/637534967.db2.gz HZVNXHGDTKYEFE-JTQLQIEISA-N 0 1 258.321 3.108 20 10 CGCDMN Cc1cc(C)c(O)c(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000853630093 637876380 /nfs/dbraw/zinc/87/63/80/637876380.db2.gz NJVFMHBQHZFDAY-WBMJQRKESA-N 0 1 299.361 3.254 20 10 CGCDMN COc1ccc(CN[C@@H](C)c2cncs2)cc1C ZINC000155399180 639932414 /nfs/dbraw/zinc/93/24/14/639932414.db2.gz ILYPBGKOYSRXKR-NSHDSACASA-N 0 1 262.378 3.311 20 10 CGCDMN COc1ccc(CN[C@H](C)c2cncc(F)c2)cc1C ZINC000155412978 639933944 /nfs/dbraw/zinc/93/39/44/639933944.db2.gz OFYUKBCGFGEAND-GFCCVEGCSA-N 0 1 274.339 3.389 20 10 CGCDMN CC[C@H]1CCC[N@@H+](Cc2cccc(OC)c2O)CC1 ZINC000156049237 639963065 /nfs/dbraw/zinc/96/30/65/639963065.db2.gz GQEZHVQNDLSDNH-ZDUSSCGKSA-N 0 1 263.381 3.413 20 10 CGCDMN COc1cc(CN2CCc3sccc3C2)c(O)cc1C ZINC000159624260 640056708 /nfs/dbraw/zinc/05/67/08/640056708.db2.gz MMMXPVLHHRPMCT-UHFFFAOYSA-N 0 1 289.400 3.329 20 10 CGCDMN CSCC[C@@H](C)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079437952 640403064 /nfs/dbraw/zinc/40/30/64/640403064.db2.gz WECHWXKSBBJKNT-SNVBAGLBSA-N 0 1 299.411 3.307 20 10 CGCDMN CC[C@@H]1COCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000091980248 640727221 /nfs/dbraw/zinc/72/72/21/640727221.db2.gz MNBLMTDWGXIHJV-QGZVFWFLSA-N 0 1 288.435 3.288 20 10 CGCDMN O=C1C[C@@H]2CC([NH2+]Cc3cc4ccccc4cc3[O-])C[C@H]2C1 ZINC001254929484 806510613 /nfs/dbraw/zinc/51/06/13/806510613.db2.gz SPVKZOPXHLQDSY-GJZGRUSLSA-N 0 1 295.382 3.393 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000156104413 799065154 /nfs/dbraw/zinc/06/51/54/799065154.db2.gz IHQZWQHABIWALY-GHMZBOCLSA-N 0 1 251.757 3.278 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+]C1(C2CC2)CC1 ZINC000310012246 799221691 /nfs/dbraw/zinc/22/16/91/799221691.db2.gz JAUCIPDMVXFFID-UHFFFAOYSA-N 0 1 282.181 3.187 20 10 CGCDMN CCn1cc(CN[C@H](C)c2ccc3ccccc3c2O)nn1 ZINC000404505137 799577259 /nfs/dbraw/zinc/57/72/59/799577259.db2.gz LEKXUIZMWKTDLV-GFCCVEGCSA-N 0 1 296.374 3.008 20 10 CGCDMN C[N@@H+](CCOC(C)(C)C)Cc1cccc(Cl)c1[O-] ZINC000690114377 799772641 /nfs/dbraw/zinc/77/26/41/799772641.db2.gz IXXMMUKDAYYNKC-UHFFFAOYSA-N 0 1 271.788 3.293 20 10 CGCDMN CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000692951352 799805232 /nfs/dbraw/zinc/80/52/32/799805232.db2.gz KCKOWMPASGTFAY-HNNXBMFYSA-N 0 1 283.799 3.340 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000698922359 799858089 /nfs/dbraw/zinc/85/80/89/799858089.db2.gz NAMPFRPIMCCYJA-GWCFXTLKSA-N 0 1 251.757 3.181 20 10 CGCDMN C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000699475695 799861876 /nfs/dbraw/zinc/86/18/76/799861876.db2.gz MWJGINVQZWQBEJ-MQIPJXDCSA-N 0 1 271.360 3.231 20 10 CGCDMN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2cscn2)c1 ZINC000700444509 799872138 /nfs/dbraw/zinc/87/21/38/799872138.db2.gz RXXLTCDITVIKSI-ZJUUUORDSA-N 0 1 278.377 3.269 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCC1(F)CCC1 ZINC000702522894 799910064 /nfs/dbraw/zinc/91/00/64/799910064.db2.gz UIDZCFMGTGCMLP-UHFFFAOYSA-N 0 1 257.736 3.418 20 10 CGCDMN CC(C)O[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000701724937 799893469 /nfs/dbraw/zinc/89/34/69/799893469.db2.gz YQKANSDGJDVFIZ-LBPRGKRZSA-N 0 1 269.772 3.045 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H]1CCSC1 ZINC000704773417 799940336 /nfs/dbraw/zinc/94/03/36/799940336.db2.gz CFHOLAORCZYWLM-JTQLQIEISA-N 0 1 271.813 3.278 20 10 CGCDMN CC[N@H+](Cc1c([O-])cccc1Br)C(C)C ZINC000707128712 799973424 /nfs/dbraw/zinc/97/34/24/799973424.db2.gz AFUUWPCYYSKNNC-UHFFFAOYSA-N 0 1 272.186 3.385 20 10 CGCDMN CC[N@@H+](Cc1c([O-])cccc1Br)C(C)C ZINC000707128712 799973430 /nfs/dbraw/zinc/97/34/30/799973430.db2.gz AFUUWPCYYSKNNC-UHFFFAOYSA-N 0 1 272.186 3.385 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+]C/C=C\C1CC1 ZINC000706835336 799967656 /nfs/dbraw/zinc/96/76/56/799967656.db2.gz ULYUXPANOSUBFX-IHWYPQMZSA-N 0 1 282.181 3.211 20 10 CGCDMN CCC[N@H+](CC)Cc1c([O-])cccc1Br ZINC000707129637 799973784 /nfs/dbraw/zinc/97/37/84/799973784.db2.gz NBMZGEAFQUYCNK-UHFFFAOYSA-N 0 1 272.186 3.387 20 10 CGCDMN CCC[N@@H+](CC)Cc1c([O-])cccc1Br ZINC000707129637 799973787 /nfs/dbraw/zinc/97/37/87/799973787.db2.gz NBMZGEAFQUYCNK-UHFFFAOYSA-N 0 1 272.186 3.387 20 10 CGCDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccns1 ZINC000716017590 800159570 /nfs/dbraw/zinc/15/95/70/800159570.db2.gz BYHZNJKCYZMGLB-GFCCVEGCSA-N 0 1 287.432 3.376 20 10 CGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccns1 ZINC000716034222 800162289 /nfs/dbraw/zinc/16/22/89/800162289.db2.gz QBCHKMIXALBOTG-QMMMGPOBSA-N 0 1 268.769 3.353 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000724663619 800364606 /nfs/dbraw/zinc/36/46/06/800364606.db2.gz UXHMYINHGCVLCA-IWIIMEHWSA-N 0 1 269.772 3.091 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](CCO)C1CCCC1 ZINC000725125940 800375342 /nfs/dbraw/zinc/37/53/42/800375342.db2.gz OAGWCZLRJPXOPD-CQSZACIVSA-N 0 1 283.799 3.076 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@](CO)(C(C)C)C2)c(Cl)c1 ZINC001118012067 802518710 /nfs/dbraw/zinc/51/87/10/802518710.db2.gz MFDAADDVQORZJX-MRXNPFEDSA-N 0 1 297.826 3.194 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c(Cl)c1 ZINC001118012067 802518713 /nfs/dbraw/zinc/51/87/13/802518713.db2.gz MFDAADDVQORZJX-MRXNPFEDSA-N 0 1 297.826 3.194 20 10 CGCDMN C[C@H]1CN(Cc2ccc(N)cc2)C[C@@H](c2ccccc2)O1 ZINC001120370842 802742604 /nfs/dbraw/zinc/74/26/04/802742604.db2.gz HFCZNANCPHISME-KSSFIOAISA-N 0 1 282.387 3.231 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001137837847 803781040 /nfs/dbraw/zinc/78/10/40/803781040.db2.gz WZNJHWGFJRWLCD-SECBINFHSA-N 0 1 277.261 3.306 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])CCC1(F)F ZINC001138122601 803860401 /nfs/dbraw/zinc/86/04/01/803860401.db2.gz PJMNTCJQMLQJIB-JTQLQIEISA-N 0 1 273.298 3.399 20 10 CGCDMN C[N@H+](Cc1ccccc1F)Cc1c(F)ccc(F)c1[O-] ZINC001139682766 804251625 /nfs/dbraw/zinc/25/16/25/804251625.db2.gz BWLGIOORBTZWEM-UHFFFAOYSA-N 0 1 281.277 3.442 20 10 CGCDMN C[N@@H+](Cc1ccccc1F)Cc1c(F)ccc(F)c1[O-] ZINC001139682766 804251628 /nfs/dbraw/zinc/25/16/28/804251628.db2.gz BWLGIOORBTZWEM-UHFFFAOYSA-N 0 1 281.277 3.442 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001139683598 804252958 /nfs/dbraw/zinc/25/29/58/804252958.db2.gz NXZFMXMYHBSCFN-OAHLLOKOSA-N 0 1 290.313 3.403 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001140103956 804377874 /nfs/dbraw/zinc/37/78/74/804377874.db2.gz VNSNPTYKTMHQHT-JOYOIKCWSA-N 0 1 282.181 3.139 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001140103956 804377881 /nfs/dbraw/zinc/37/78/81/804377881.db2.gz VNSNPTYKTMHQHT-JOYOIKCWSA-N 0 1 282.181 3.139 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(CCCO2)CC1 ZINC001140341315 804420098 /nfs/dbraw/zinc/42/00/98/804420098.db2.gz HNXYYXZPRJKWRJ-UHFFFAOYSA-N 0 1 281.783 3.191 20 10 CGCDMN COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466965 804444043 /nfs/dbraw/zinc/44/40/43/804444043.db2.gz NWHHRVDLALHJTG-AWEZNQCLSA-N 0 1 283.799 3.437 20 10 CGCDMN COCC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466965 804444047 /nfs/dbraw/zinc/44/40/47/804444047.db2.gz NWHHRVDLALHJTG-AWEZNQCLSA-N 0 1 283.799 3.437 20 10 CGCDMN Oc1cc(F)cc(F)c1CN1CCC[C@H]1C(F)(F)F ZINC001140583058 804465919 /nfs/dbraw/zinc/46/59/19/804465919.db2.gz VDKZNZMQGWTRST-NSHDSACASA-N 0 1 281.224 3.197 20 10 CGCDMN Oc1cc(F)cc(F)c1CN1CC[C@@H](CF)C(F)(F)C1 ZINC001140582096 804466592 /nfs/dbraw/zinc/46/65/92/804466592.db2.gz COKXPNMFRAICNG-QMMMGPOBSA-N 0 1 295.251 3.097 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cc(F)cc2F)CCC1(F)F ZINC001140582075 804466613 /nfs/dbraw/zinc/46/66/13/804466613.db2.gz BNWQFPYOBKTXRH-MRVPVSSYSA-N 0 1 277.261 3.148 20 10 CGCDMN CN(C)c1ccc(CN2CCC(F)CC2)c(Cl)c1 ZINC001140921968 804549541 /nfs/dbraw/zinc/54/95/41/804549541.db2.gz YMTOIOMHSNILNZ-UHFFFAOYSA-N 0 1 270.779 3.340 20 10 CGCDMN Cc1ccc(C[N@@H+](C(C)C)C2CCOCC2)c([O-])c1 ZINC001140954468 804557888 /nfs/dbraw/zinc/55/78/88/804557888.db2.gz SVMZQAZQXPMDFX-UHFFFAOYSA-N 0 1 263.381 3.090 20 10 CGCDMN Cc1ccc(C[N@H+](C(C)C)C2CCOCC2)c([O-])c1 ZINC001140954468 804557890 /nfs/dbraw/zinc/55/78/90/804557890.db2.gz SVMZQAZQXPMDFX-UHFFFAOYSA-N 0 1 263.381 3.090 20 10 CGCDMN Cc1ccn2cc(CN(C)Cc3ccc(C)cc3O)nc2c1 ZINC001140954818 804558109 /nfs/dbraw/zinc/55/81/09/804558109.db2.gz LZMAWBPORBGIQV-UHFFFAOYSA-N 0 1 295.386 3.289 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CCC[C@@](C)(F)CC2)c(OC)c1 ZINC001141032128 804574804 /nfs/dbraw/zinc/57/48/04/804574804.db2.gz TYZONXSPBBUITA-MRXNPFEDSA-N 0 1 297.370 3.124 20 10 CGCDMN CCC[N@@H+](Cc1c(O)cc(OC)cc1OC)[C@@H](C)CC ZINC001141031266 804575756 /nfs/dbraw/zinc/57/57/56/804575756.db2.gz AQWWRBORYKOCMK-LBPRGKRZSA-N 0 1 281.396 3.420 20 10 CGCDMN CCC[N@H+](Cc1c([O-])cc(OC)cc1OC)[C@@H](C)CC ZINC001141031266 804575758 /nfs/dbraw/zinc/57/57/58/804575758.db2.gz AQWWRBORYKOCMK-LBPRGKRZSA-N 0 1 281.396 3.420 20 10 CGCDMN CCC[N@@H+](Cc1c([O-])cc(OC)cc1OC)[C@@H](C)CC ZINC001141031266 804575762 /nfs/dbraw/zinc/57/57/62/804575762.db2.gz AQWWRBORYKOCMK-LBPRGKRZSA-N 0 1 281.396 3.420 20 10 CGCDMN CN(Cc1ccsc1)Cc1ccc2c(c1)OCCN2C ZINC001141143521 804596758 /nfs/dbraw/zinc/59/67/58/804596758.db2.gz CGFRGWMRMUNKAJ-UHFFFAOYSA-N 0 1 288.416 3.209 20 10 CGCDMN CCC[N@H+](Cc1ccc(CC(=O)OC)cc1[O-])[C@@H](C)CC ZINC001249171510 805104676 /nfs/dbraw/zinc/10/46/76/805104676.db2.gz CTLCTFPMOSVDEA-ZDUSSCGKSA-N 0 1 293.407 3.118 20 10 CGCDMN CCC[N@@H+](Cc1ccc(CC(=O)OC)cc1[O-])[C@@H](C)CC ZINC001249171510 805104683 /nfs/dbraw/zinc/10/46/83/805104683.db2.gz CTLCTFPMOSVDEA-ZDUSSCGKSA-N 0 1 293.407 3.118 20 10 CGCDMN CC1(C)C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1C1CC1 ZINC001182185196 810097487 /nfs/dbraw/zinc/09/74/87/810097487.db2.gz ZPTUZAJRKIMDET-AWEZNQCLSA-N 0 1 267.319 3.291 20 10 CGCDMN Cc1ccc(CNCc2noc3ccccc23)c(O)c1 ZINC001183768128 810159550 /nfs/dbraw/zinc/15/95/50/810159550.db2.gz ILEUDJWAOMKUNA-UHFFFAOYSA-N 0 1 268.316 3.132 20 10 CGCDMN CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626248 810921859 /nfs/dbraw/zinc/92/18/59/810921859.db2.gz SVAFXLXYULFJBJ-RKDXNWHRSA-N 0 1 285.771 3.306 20 10 CGCDMN COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H](C)C2)c([O-])c1 ZINC001203621312 812409559 /nfs/dbraw/zinc/40/95/59/812409559.db2.gz SOWSXKQCYRUNCH-OLZOCXBDSA-N 0 1 263.381 3.269 20 10 CGCDMN COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c([O-])c1 ZINC001203621312 812409562 /nfs/dbraw/zinc/40/95/62/812409562.db2.gz SOWSXKQCYRUNCH-OLZOCXBDSA-N 0 1 263.381 3.269 20 10 CGCDMN CN(Cc1cccc(Cl)c1)Cc1ccc(O)c(O)c1 ZINC001203878175 812477979 /nfs/dbraw/zinc/47/79/79/812477979.db2.gz CHZFOHCZXWIUBY-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN CN(C)c1ccc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)cc1 ZINC001203930549 812494709 /nfs/dbraw/zinc/49/47/09/812494709.db2.gz YIAYDIKBOGBNDQ-IRXDYDNUSA-N 0 1 286.419 3.086 20 10 CGCDMN C[C@@H]1COCCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001204233237 812579783 /nfs/dbraw/zinc/57/97/83/812579783.db2.gz PEXRFZBAZQXGPQ-CQSZACIVSA-N 0 1 284.403 3.127 20 10 CGCDMN CCC[C@]1(COC)CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001205541493 812998379 /nfs/dbraw/zinc/99/83/79/812998379.db2.gz QVKYEAZWPLLGQM-MRXNPFEDSA-N 0 1 299.361 3.452 20 10 CGCDMN CC[N@H+](Cc1c(C)cc(OC)cc1[O-])C1CCCC1 ZINC001205746722 813066073 /nfs/dbraw/zinc/06/60/73/813066073.db2.gz BDFWZHWHSPSVKL-UHFFFAOYSA-N 0 1 263.381 3.474 20 10 CGCDMN CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])C1CCCC1 ZINC001205746722 813066081 /nfs/dbraw/zinc/06/60/81/813066081.db2.gz BDFWZHWHSPSVKL-UHFFFAOYSA-N 0 1 263.381 3.474 20 10 CGCDMN Cn1cncc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001211250300 814860201 /nfs/dbraw/zinc/86/02/01/814860201.db2.gz HQWPSYCZNZYLAQ-UHFFFAOYSA-N 0 1 278.359 3.337 20 10 CGCDMN Cc1ccccc1C[N@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231451653 818101985 /nfs/dbraw/zinc/10/19/85/818101985.db2.gz OLAHRIVSSWVJIA-UHFFFAOYSA-N 0 1 285.343 3.031 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1O ZINC001231588826 818129878 /nfs/dbraw/zinc/12/98/78/818129878.db2.gz VSKKLWKZAOXUDL-CXAGYDPISA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)CC[C@H]1O ZINC001231588826 818129884 /nfs/dbraw/zinc/12/98/84/818129884.db2.gz VSKKLWKZAOXUDL-CXAGYDPISA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)CC[C@H]1O ZINC001231588826 818129889 /nfs/dbraw/zinc/12/98/89/818129889.db2.gz VSKKLWKZAOXUDL-CXAGYDPISA-N 0 1 285.387 3.138 20 10 CGCDMN CC[N@H+](CCn1ccnc1)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870310 818193924 /nfs/dbraw/zinc/19/39/24/818193924.db2.gz STERGBCDPTUWJO-UHFFFAOYSA-N 0 1 293.798 3.073 20 10 CGCDMN CC[N@@H+](CCn1ccnc1)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870310 818193927 /nfs/dbraw/zinc/19/39/27/818193927.db2.gz STERGBCDPTUWJO-UHFFFAOYSA-N 0 1 293.798 3.073 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)cc1Cl ZINC001231871979 818193941 /nfs/dbraw/zinc/19/39/41/818193941.db2.gz TWZUEPIIZGQQTI-DGCLKSJQSA-N 0 1 293.794 3.155 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)cc1Cl ZINC001231871979 818193943 /nfs/dbraw/zinc/19/39/43/818193943.db2.gz TWZUEPIIZGQQTI-DGCLKSJQSA-N 0 1 293.794 3.155 20 10 CGCDMN CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231881350 818200334 /nfs/dbraw/zinc/20/03/34/818200334.db2.gz VVHDIVFZADQPQE-KRWDZBQOSA-N 0 1 285.387 3.402 20 10 CGCDMN CC(C)[C@@H]1COCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231881350 818200340 /nfs/dbraw/zinc/20/03/40/818200340.db2.gz VVHDIVFZADQPQE-KRWDZBQOSA-N 0 1 285.387 3.402 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+](CCO)Cc1cccs1 ZINC001231912056 818208505 /nfs/dbraw/zinc/20/85/05/818208505.db2.gz VCUVWUYZVHAKDP-UHFFFAOYSA-N 0 1 297.807 3.102 20 10 CGCDMN CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c(O)c1 ZINC001235680628 819140028 /nfs/dbraw/zinc/14/00/28/819140028.db2.gz WGKULSRXOGIEKB-RHSMWYFYSA-N 0 1 289.419 3.301 20 10 CGCDMN COC[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236801081 819599657 /nfs/dbraw/zinc/59/96/57/819599657.db2.gz FRMBZAVKLMJGTI-GFCCVEGCSA-N 0 1 299.798 3.055 20 10 CGCDMN COc1ccc(C[N@H+]2CCC[C@@H]2C)c([O-])c1Cl ZINC001236800904 819600275 /nfs/dbraw/zinc/60/02/75/819600275.db2.gz APHJPDBDOZOVRH-VIFPVBQESA-N 0 1 255.745 3.039 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c(Cl)c1 ZINC001236805409 819601647 /nfs/dbraw/zinc/60/16/47/819601647.db2.gz FSINOCIGESBCTR-WDEREUQCSA-N 0 1 299.798 3.054 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c(Cl)c1 ZINC001236805409 819601651 /nfs/dbraw/zinc/60/16/51/819601651.db2.gz FSINOCIGESBCTR-WDEREUQCSA-N 0 1 299.798 3.054 20 10 CGCDMN COc1ccc(C[N@@H+](C)CC(C)C)c([O-])c1Cl ZINC001236805106 819602325 /nfs/dbraw/zinc/60/23/25/819602325.db2.gz FCDFXZAKJDCWKQ-UHFFFAOYSA-N 0 1 257.761 3.142 20 10 CGCDMN COc1ccc2c(c1)CN(Cc1c(C)cc(OC)cc1O)C2 ZINC001236812019 819603891 /nfs/dbraw/zinc/60/38/91/819603891.db2.gz XWIGGUCURNCSDC-UHFFFAOYSA-N 0 1 299.370 3.234 20 10 CGCDMN COc1cc(C)c(CN2CCn3cccc3[C@@H]2C)c(O)c1 ZINC001236810798 819604719 /nfs/dbraw/zinc/60/47/19/819604719.db2.gz JIISHUVHRJZHIB-ZDUSSCGKSA-N 0 1 286.375 3.088 20 10 CGCDMN COc1ccc(C[N@H+]2CCC(C)(C)C2)c([O-])c1Cl ZINC001236810971 819605134 /nfs/dbraw/zinc/60/51/34/819605134.db2.gz CWAGBVJLIKHIJK-UHFFFAOYSA-N 0 1 269.772 3.286 20 10 CGCDMN CCOc1ccc(C[N@@H+](C)CC2CC(F)(F)C2)c(O)c1 ZINC001237042009 819648863 /nfs/dbraw/zinc/64/88/63/819648863.db2.gz CFIPGVQZBYUGHQ-UHFFFAOYSA-N 0 1 285.334 3.268 20 10 CGCDMN CC(C)c1ccc(CN2CCC(=O)[C@H](C)CC2)c(O)c1 ZINC001237044855 819651011 /nfs/dbraw/zinc/65/10/11/819651011.db2.gz FBGKOWCNQGZZSQ-CYBMUJFWSA-N 0 1 275.392 3.317 20 10 CGCDMN CC[C@H]1COCCN1Cc1ccc(C(C)C)cc1O ZINC001237049636 819652645 /nfs/dbraw/zinc/65/26/45/819652645.db2.gz QPWYSFCUXJYXNT-HNNXBMFYSA-N 0 1 263.381 3.126 20 10 CGCDMN COC[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078576 819661815 /nfs/dbraw/zinc/66/18/15/819661815.db2.gz UVYVIQPGBMUJHW-SECBINFHSA-N 0 1 290.190 3.167 20 10 CGCDMN C[C@@H]1C[C@H](O)CC[N@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237084824 819663706 /nfs/dbraw/zinc/66/37/06/819663706.db2.gz OAJHCQQAZIRYRA-RKDXNWHRSA-N 0 1 290.190 3.044 20 10 CGCDMN Oc1c(Cl)cc(F)cc1CN1CC(F)(C2CC2)C1 ZINC001237808977 819847000 /nfs/dbraw/zinc/84/70/00/819847000.db2.gz XLAFSWSWEKODLZ-UHFFFAOYSA-N 0 1 273.710 3.119 20 10 CGCDMN C[N@H+](Cc1cc(F)c(Cl)cc1[O-])CC1CCC1 ZINC001237937719 819887577 /nfs/dbraw/zinc/88/75/77/819887577.db2.gz UGKBJXPNPRMSCF-UHFFFAOYSA-N 0 1 257.736 3.417 20 10 CGCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001237948314 819890994 /nfs/dbraw/zinc/89/09/94/819890994.db2.gz CKMAFFNPOMVFAZ-OAHLLOKOSA-N 0 1 299.773 3.187 20 10 CGCDMN Cc1cc(CN(C)Cc2ccccc2O)ncc1Cl ZINC001238423275 819992064 /nfs/dbraw/zinc/99/20/64/819992064.db2.gz QXHZRJRGPNXQHB-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C1(C)C ZINC001461880598 937603976 /nfs/dbraw/zinc/60/39/76/937603976.db2.gz KATBCSVIPPUXFD-HOCLYGCPSA-N 0 1 299.361 3.306 20 10 CGCDMN C[C@@](CO)([NH2+]Cc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001462108821 937618189 /nfs/dbraw/zinc/61/81/89/937618189.db2.gz BUFCDOXIAYYMCS-INIZCTEOSA-N 0 1 291.778 3.043 20 10 CGCDMN COCC1([NH2+]Cc2ccc(Cl)cc2[O-])CCCC1 ZINC001462418787 937639279 /nfs/dbraw/zinc/63/92/79/937639279.db2.gz BXGUKJSXHUTDLM-UHFFFAOYSA-N 0 1 269.772 3.094 20 10 CGCDMN C[C@@H]1CN(Cc2ccc(F)c(F)c2O)c2ccccc2O1 ZINC001308666560 933153433 /nfs/dbraw/zinc/15/34/33/933153433.db2.gz SCGNZTHRRRFRBF-SNVBAGLBSA-N 0 1 291.297 3.458 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 ZINC001308844980 933187675 /nfs/dbraw/zinc/18/76/75/933187675.db2.gz DJCLEMUFLPYQCU-XDTLVQLUSA-N 0 1 251.757 3.324 20 10 CGCDMN Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC001474394252 937857024 /nfs/dbraw/zinc/85/70/24/937857024.db2.gz FYRFPEMMRZMYDP-HNNXBMFYSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC001474394252 937857026 /nfs/dbraw/zinc/85/70/26/937857026.db2.gz FYRFPEMMRZMYDP-HNNXBMFYSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC001474394252 937857028 /nfs/dbraw/zinc/85/70/28/937857028.db2.gz FYRFPEMMRZMYDP-HNNXBMFYSA-N 0 1 295.810 3.437 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC001474390561 937857096 /nfs/dbraw/zinc/85/70/96/937857096.db2.gz HLGNVYQBIGVNBK-WFASDCNBSA-N 0 1 297.826 3.337 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC001474390561 937857097 /nfs/dbraw/zinc/85/70/97/937857097.db2.gz HLGNVYQBIGVNBK-WFASDCNBSA-N 0 1 297.826 3.337 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC001474495594 937863517 /nfs/dbraw/zinc/86/35/17/937863517.db2.gz IPVYSWSZGRKEAL-OAHLLOKOSA-N 0 1 294.826 3.152 20 10 CGCDMN CC1(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)CCC1 ZINC001594010716 997448041 /nfs/dbraw/zinc/44/80/41/997448041.db2.gz SBAFEPWMWWDMMG-UHFFFAOYSA-N 0 1 297.782 3.122 20 10 CGCDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(F)cn1 ZINC000092743105 345856128 /nfs/dbraw/zinc/85/61/28/345856128.db2.gz OXQOKSGLHXSPKE-CYBMUJFWSA-N 0 1 299.393 3.454 20 10 CGCDMN Cc1nc2sccn2c1CN(C)Cc1ccccc1O ZINC000091956660 345826626 /nfs/dbraw/zinc/82/66/26/345826626.db2.gz MRNHNVKRIOTWOW-UHFFFAOYSA-N 0 1 287.388 3.042 20 10 CGCDMN CC[C@@](C)(NCc1ccccc1O)c1nccs1 ZINC000152636545 261066535 /nfs/dbraw/zinc/06/65/35/261066535.db2.gz WSIANDRKEBGCGO-CQSZACIVSA-N 0 1 262.378 3.264 20 10 CGCDMN COc1cccc(CN(C)Cc2cc(Cl)cn2C)c1O ZINC000091931125 370081892 /nfs/dbraw/zinc/08/18/92/370081892.db2.gz AEIJQIKJXFTDQE-UHFFFAOYSA-N 0 1 294.782 3.025 20 10 CGCDMN CC(C)[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000291209632 372140019 /nfs/dbraw/zinc/14/00/19/372140019.db2.gz IIZOEQRTTNWXHM-GFCCVEGCSA-N 0 1 269.772 3.045 20 10 CGCDMN CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000293911226 372520905 /nfs/dbraw/zinc/52/09/05/372520905.db2.gz FYPNZODEXJVJKC-INIZCTEOSA-N 0 1 297.826 3.276 20 10 CGCDMN CCN(C)c1ccc([C@H](C)NCc2cnccc2OC)cc1 ZINC000294039187 372562303 /nfs/dbraw/zinc/56/23/03/372562303.db2.gz FYRMUPDVQKGFQE-AWEZNQCLSA-N 0 1 299.418 3.397 20 10 CGCDMN CC[C@H](NCc1cnccc1OC)c1ccc(N(C)C)cc1 ZINC000293979872 372544643 /nfs/dbraw/zinc/54/46/43/372544643.db2.gz BHHMUCXMQJBQSL-KRWDZBQOSA-N 0 1 299.418 3.397 20 10 CGCDMN Oc1ccc(F)cc1CNc1ccc2c(n1)CCC2 ZINC000294993544 372684376 /nfs/dbraw/zinc/68/43/76/372684376.db2.gz ZHYDIRFQBNEJSP-UHFFFAOYSA-N 0 1 258.296 3.027 20 10 CGCDMN Cc1cc(CN(C)Cc2ccccn2)ccc1N(C)C ZINC000295134590 372693954 /nfs/dbraw/zinc/69/39/54/372693954.db2.gz KGFCDXHRBCGEKV-UHFFFAOYSA-N 0 1 269.392 3.088 20 10 CGCDMN C[C@@H](CCCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000296603844 373193469 /nfs/dbraw/zinc/19/34/69/373193469.db2.gz VUAYKGJIKXWIQW-QWRGUYRKSA-N 0 1 271.788 3.105 20 10 CGCDMN C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000296653793 373209577 /nfs/dbraw/zinc/20/95/77/373209577.db2.gz ZCHMADLPBSYMOO-NXEZZACHSA-N 0 1 271.788 3.246 20 10 CGCDMN CCN1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])[C@H](C)C1 ZINC000180415687 374001903 /nfs/dbraw/zinc/00/19/03/374001903.db2.gz DUOLJHWUTPCYIP-DOMZBBRYSA-N 0 1 296.842 3.208 20 10 CGCDMN Cc1cccc(CN2CCn3cccc3[C@@H]2C)c1O ZINC000183511969 374422408 /nfs/dbraw/zinc/42/24/08/374422408.db2.gz SUJDXBQEKGIQIK-ZDUSSCGKSA-N 0 1 256.349 3.079 20 10 CGCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCCC[C@H]1O ZINC000272646292 378682505 /nfs/dbraw/zinc/68/25/05/378682505.db2.gz PDOMDGDRHJLDLG-SMDDNHRTSA-N 0 1 283.799 3.029 20 10 CGCDMN Cc1ccc([C@H](C)NCc2cn3ccsc3n2)c(O)c1 ZINC000273386047 378744283 /nfs/dbraw/zinc/74/42/83/378744283.db2.gz JPNWUDFKMZYUTA-NSHDSACASA-N 0 1 287.388 3.261 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375306391 379491693 /nfs/dbraw/zinc/49/16/93/379491693.db2.gz ZFDFPBOYVTWFGA-HNNXBMFYSA-N 0 1 281.783 3.048 20 10 CGCDMN Cc1cccc(CN2CCC=C(Br)C2)c1O ZINC000282345314 379902475 /nfs/dbraw/zinc/90/24/75/379902475.db2.gz OZYNAOURMLFGPT-UHFFFAOYSA-N 0 1 282.181 3.185 20 10 CGCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)c1nccs1 ZINC000230693346 393025128 /nfs/dbraw/zinc/02/51/28/393025128.db2.gz VTEOCMVXXYHVAV-SECBINFHSA-N 0 1 282.796 3.395 20 10 CGCDMN C[C@H](NCc1cccc2c1OCO2)c1ccc(N(C)C)cc1 ZINC000237498123 393036443 /nfs/dbraw/zinc/03/64/43/393036443.db2.gz CEDCXOJPWFQQAG-ZDUSSCGKSA-N 0 1 298.386 3.332 20 10 CGCDMN Cc1csc(CN[C@@H](C)c2cc(C)ccc2O)n1 ZINC000038090953 174104847 /nfs/dbraw/zinc/10/48/47/174104847.db2.gz GFGBZRGYSQGSRK-NSHDSACASA-N 0 1 262.378 3.316 20 10 CGCDMN C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000185671908 262065310 /nfs/dbraw/zinc/06/53/10/262065310.db2.gz WSIXCPIOTRHROA-MDZLAQPJSA-N 0 1 294.826 3.321 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000370582507 267329994 /nfs/dbraw/zinc/32/99/94/267329994.db2.gz FQJWJZKCJHEHME-HNNXBMFYSA-N 0 1 295.810 3.485 20 10 CGCDMN CC[C@H](N[C@@H](C)c1nnc(C)s1)c1ccccc1O ZINC000274793721 328010929 /nfs/dbraw/zinc/01/09/29/328010929.db2.gz SOXBSBKMEYFEHX-CABZTGNLSA-N 0 1 277.393 3.354 20 10 CGCDMN COC[C@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000375098765 329000551 /nfs/dbraw/zinc/00/05/51/329000551.db2.gz ZEKMMDSXHOSGSN-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@H]1CCCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000375098765 329000553 /nfs/dbraw/zinc/00/05/53/329000553.db2.gz ZEKMMDSXHOSGSN-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000375098765 329000555 /nfs/dbraw/zinc/00/05/55/329000555.db2.gz ZEKMMDSXHOSGSN-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527804722 330284405 /nfs/dbraw/zinc/28/44/05/330284405.db2.gz ABDRFGSFCXCIFB-CYBMUJFWSA-N 0 1 294.826 3.152 20 10 CGCDMN CCn1ncc(CN[C@@H](C)c2ccc3ccccc3c2O)n1 ZINC000527925001 330296390 /nfs/dbraw/zinc/29/63/90/330296390.db2.gz SRHJFWNQUZAEKR-LBPRGKRZSA-N 0 1 296.374 3.008 20 10 CGCDMN CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000527980505 330298129 /nfs/dbraw/zinc/29/81/29/330298129.db2.gz QCFKPFITLKJDES-FZZIBODNSA-N 0 1 269.772 3.264 20 10 CGCDMN C[C@@H]([NH2+]CCC(C)(C)O)c1ccc2ccccc2c1[O-] ZINC000274753698 334783604 /nfs/dbraw/zinc/78/36/04/334783604.db2.gz BJYSDFZFJSCRNY-GFCCVEGCSA-N 0 1 273.376 3.357 20 10 CGCDMN CN(C)c1ccc(CN(Cc2ccc(F)cn2)C2CC2)cc1 ZINC000276130560 522172560 /nfs/dbraw/zinc/17/25/60/522172560.db2.gz AWKMVAJEXPMFQC-UHFFFAOYSA-N 0 1 299.393 3.451 20 10 CGCDMN COC[C@@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000045656367 522206462 /nfs/dbraw/zinc/20/64/62/522206462.db2.gz KGSZWCSBWMJYIW-QWHCGFSZSA-N 0 1 273.376 3.479 20 10 CGCDMN COc1ncccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037650209 525060702 /nfs/dbraw/zinc/06/07/02/525060702.db2.gz LARVATBXTXYISN-ZDUSSCGKSA-N 0 1 285.391 3.007 20 10 CGCDMN COc1ncccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000037650210 525063448 /nfs/dbraw/zinc/06/34/48/525063448.db2.gz LARVATBXTXYISN-CYBMUJFWSA-N 0 1 285.391 3.007 20 10 CGCDMN C[C@H](NCCF)c1ccc(N2CCCCC2)c(F)c1 ZINC000280921410 525347126 /nfs/dbraw/zinc/34/71/26/525347126.db2.gz DSPDZWQGKZGZLD-LBPRGKRZSA-N 0 1 268.351 3.436 20 10 CGCDMN Oc1c(Cl)cccc1CN1CCOC[C@@H]1c1ccco1 ZINC000367742141 526327605 /nfs/dbraw/zinc/32/76/05/526327605.db2.gz YUDHKIKDRCLHQI-CYBMUJFWSA-N 0 1 293.750 3.212 20 10 CGCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCC(C)CC1 ZINC000733326338 572556292 /nfs/dbraw/zinc/55/62/92/572556292.db2.gz XOJQDOHOJRUGBZ-ZDUSSCGKSA-N 0 1 296.842 3.256 20 10 CGCDMN Cc1cccc(CN(C)Cc2ccc(N(C)C)cc2)n1 ZINC000736945304 572826834 /nfs/dbraw/zinc/82/68/34/572826834.db2.gz OTVISFPTQMQJAU-UHFFFAOYSA-N 0 1 269.392 3.088 20 10 CGCDMN CO[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000746754432 572894975 /nfs/dbraw/zinc/89/49/75/572894975.db2.gz KETCFHGQHPFIMY-QWHCGFSZSA-N 0 1 269.772 3.093 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846116474 618073694 /nfs/dbraw/zinc/07/36/94/618073694.db2.gz IEFCKOIXVXWWSH-LBPRGKRZSA-N 0 1 273.710 3.277 20 10 CGCDMN COc1cc(C[N@H+]2CCc3ccsc3C2)c(O)cc1C ZINC000160509391 618080880 /nfs/dbraw/zinc/08/08/80/618080880.db2.gz UOIJYGBWXKLGLY-UHFFFAOYSA-N 0 1 289.400 3.329 20 10 CGCDMN C[N@@H+](Cc1ccco1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000162149528 618740622 /nfs/dbraw/zinc/74/06/22/618740622.db2.gz UTMDAZOPOUDDBE-UHFFFAOYSA-N 0 1 296.710 3.179 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC000314262711 618963607 /nfs/dbraw/zinc/96/36/07/618963607.db2.gz HTVKRYYHQNKDDD-BETUJISGSA-N 0 1 291.366 3.356 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)c(Cl)c1 ZINC000840939992 619231376 /nfs/dbraw/zinc/23/13/76/619231376.db2.gz SVLHIUUMQQIYGR-LRDDRELGSA-N 0 1 295.810 3.401 20 10 CGCDMN CO[C@@](C)(C[NH2+]Cc1c([O-])cc(C)cc1Cl)C1CC1 ZINC000840947030 619248042 /nfs/dbraw/zinc/24/80/42/619248042.db2.gz CIQIZNZFBDIPLT-HNNXBMFYSA-N 0 1 283.799 3.259 20 10 CGCDMN CC[C@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)[C@H](O)C(C)C ZINC000840969076 619292951 /nfs/dbraw/zinc/29/29/51/619292951.db2.gz YDFNQMYYAPZUCT-DZGCQCFKSA-N 0 1 285.815 3.239 20 10 CGCDMN COc1cccc(CNCc2ccc(SC)o2)c1O ZINC000894766863 619629954 /nfs/dbraw/zinc/62/99/54/619629954.db2.gz WAHZXPOWXQUAJT-UHFFFAOYSA-N 0 1 279.361 3.006 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)CCC(C)C)c1[O-] ZINC000048923466 619660487 /nfs/dbraw/zinc/66/04/87/619660487.db2.gz JXRDZJBSKTULDZ-UHFFFAOYSA-N 0 1 267.344 3.212 20 10 CGCDMN C[C@@H]([NH2+]CCOCC(F)F)c1ccc2ccccc2c1[O-] ZINC000188768346 619703985 /nfs/dbraw/zinc/70/39/85/619703985.db2.gz AJKNGNUQYLURTB-LLVKDONJSA-N 0 1 295.329 3.478 20 10 CGCDMN C[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCOC2(CCC2)C1 ZINC000895822947 619890995 /nfs/dbraw/zinc/89/09/95/619890995.db2.gz PGPRRGAIYDCTEB-INIZCTEOSA-N 0 1 293.382 3.360 20 10 CGCDMN CCOCC(C)(C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000310872629 620329018 /nfs/dbraw/zinc/32/90/18/620329018.db2.gz SZKYNTZVNAFDBM-UHFFFAOYSA-N 0 1 271.788 3.198 20 10 CGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cncs1 ZINC000897935072 620451901 /nfs/dbraw/zinc/45/19/01/620451901.db2.gz RLDQWEJIWRAHMX-QMMMGPOBSA-N 0 1 268.769 3.353 20 10 CGCDMN Oc1ccc2ccncc2c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000902653953 621393906 /nfs/dbraw/zinc/39/39/06/621393906.db2.gz VNKIAXSBFCBYJJ-OKILXGFUSA-N 0 1 268.360 3.172 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000902653953 621393909 /nfs/dbraw/zinc/39/39/09/621393909.db2.gz VNKIAXSBFCBYJJ-OKILXGFUSA-N 0 1 268.360 3.172 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000902653953 621393912 /nfs/dbraw/zinc/39/39/12/621393912.db2.gz VNKIAXSBFCBYJJ-OKILXGFUSA-N 0 1 268.360 3.172 20 10 CGCDMN CO[C@@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000230299717 623233498 /nfs/dbraw/zinc/23/34/98/623233498.db2.gz BKIVTVZYOOHBMB-AWEZNQCLSA-N 0 1 269.772 3.047 20 10 CGCDMN CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000230299717 623233505 /nfs/dbraw/zinc/23/35/05/623233505.db2.gz BKIVTVZYOOHBMB-AWEZNQCLSA-N 0 1 269.772 3.047 20 10 CGCDMN C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000232180857 623368542 /nfs/dbraw/zinc/36/85/42/623368542.db2.gz WYDGZCCAKRQPNC-JOYOIKCWSA-N 0 1 284.197 3.433 20 10 CGCDMN Cc1ccoc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000155185207 624447476 /nfs/dbraw/zinc/44/74/76/624447476.db2.gz LVDGTCVWDZZRLN-UHFFFAOYSA-N 0 1 258.365 3.286 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2ccn(C(C)C)n2)c1 ZINC000182465663 625003712 /nfs/dbraw/zinc/00/37/12/625003712.db2.gz PSTVWOCQCQFQHN-GFCCVEGCSA-N 0 1 289.379 3.029 20 10 CGCDMN Cc1ccc(CNCc2ccc3c(c2)CCCO3)nc1C ZINC000922179480 625980130 /nfs/dbraw/zinc/98/01/30/625980130.db2.gz XAVWBPFALHSKLW-UHFFFAOYSA-N 0 1 282.387 3.313 20 10 CGCDMN C[C@@H](NCc1c(Cl)n[nH]c1C1CC1)c1ccccc1O ZINC000922328600 625998329 /nfs/dbraw/zinc/99/83/29/625998329.db2.gz FGFNYXICXDOSMN-SECBINFHSA-N 0 1 291.782 3.497 20 10 CGCDMN CCc1[nH]nc(Cl)c1CN[C@@H](C)c1ccccc1O ZINC000922333399 625999506 /nfs/dbraw/zinc/99/95/06/625999506.db2.gz XERUBNUOEJOQFS-VIFPVBQESA-N 0 1 279.771 3.182 20 10 CGCDMN CC(C)C[C@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756497998 626709970 /nfs/dbraw/zinc/70/99/70/626709970.db2.gz SAMMNBDNXGBTDM-PWSUYJOCSA-N 0 1 271.788 3.103 20 10 CGCDMN CCC[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756619969 626721424 /nfs/dbraw/zinc/72/14/24/626721424.db2.gz ZHYVDRMZKMZVSG-YRGRVCCFSA-N 0 1 295.398 3.468 20 10 CGCDMN C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1cc(Cl)ccc1[O-] ZINC000756633230 626722182 /nfs/dbraw/zinc/72/21/82/626722182.db2.gz GMTBEUJDXRLRTJ-CKQAKLJMSA-N 0 1 283.799 3.390 20 10 CGCDMN C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000756628373 626722216 /nfs/dbraw/zinc/72/22/16/626722216.db2.gz LUQZOAVVWDNJAF-NWDGAFQWSA-N 0 1 282.815 3.038 20 10 CGCDMN CC[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756646379 626724018 /nfs/dbraw/zinc/72/40/18/626724018.db2.gz MSHVZUFPITZICH-DMDPSCGWSA-N 0 1 281.371 3.078 20 10 CGCDMN CO[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000756836071 626735991 /nfs/dbraw/zinc/73/59/91/626735991.db2.gz SCVZXSCHKFEWAR-RDDDGLTNSA-N 0 1 297.704 3.274 20 10 CGCDMN COc1cc(Cl)cc(C[N@@H+]2CC=C(C)CC2)c1O ZINC000761203833 627024544 /nfs/dbraw/zinc/02/45/44/627024544.db2.gz 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PCCFXCNMYQVDHR-UHFFFAOYSA-N 0 1 286.162 3.054 20 10 CGCDMN C[N@@H+](Cc1cc[nH]n1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769384792 627547074 /nfs/dbraw/zinc/54/70/74/627547074.db2.gz PCCFXCNMYQVDHR-UHFFFAOYSA-N 0 1 286.162 3.054 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770286599 627611965 /nfs/dbraw/zinc/61/19/65/627611965.db2.gz RYLUMLXHVXBCBB-BXUZGUMPSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770286599 627611967 /nfs/dbraw/zinc/61/19/67/627611967.db2.gz RYLUMLXHVXBCBB-BXUZGUMPSA-N 0 1 281.783 3.047 20 10 CGCDMN CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1ccccc1O ZINC000770505352 627623442 /nfs/dbraw/zinc/62/34/42/627623442.db2.gz QTZSTSHYFGQHHR-JKSUJKDBSA-N 0 1 277.408 3.418 20 10 CGCDMN CCC1(CC)[C@H]([N@@H+](C)Cc2ccccc2O)C[C@@H]1OC ZINC000770505347 627623793 /nfs/dbraw/zinc/62/37/93/627623793.db2.gz QTZSTSHYFGQHHR-CVEARBPZSA-N 0 1 277.408 3.418 20 10 CGCDMN CCN(C)c1ccc(CN(C)Cc2cccnc2)cc1 ZINC000773801630 627916687 /nfs/dbraw/zinc/91/66/87/627916687.db2.gz NKWZQHOZSRMOAS-UHFFFAOYSA-N 0 1 269.392 3.170 20 10 CGCDMN CCN(C)c1ccc(CN2CC[C@H](C)[C@H](F)C2)cc1 ZINC000773831896 627917831 /nfs/dbraw/zinc/91/78/31/627917831.db2.gz JYWKYTRGKRKJME-XJKSGUPXSA-N 0 1 264.388 3.323 20 10 CGCDMN CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000775177045 628068679 /nfs/dbraw/zinc/06/86/79/628068679.db2.gz OJEXZJLWQJHPSE-HNNXBMFYSA-N 0 1 283.799 3.173 20 10 CGCDMN CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000775177045 628068681 /nfs/dbraw/zinc/06/86/81/628068681.db2.gz OJEXZJLWQJHPSE-HNNXBMFYSA-N 0 1 283.799 3.173 20 10 CGCDMN CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000775177045 628068685 /nfs/dbraw/zinc/06/86/85/628068685.db2.gz OJEXZJLWQJHPSE-HNNXBMFYSA-N 0 1 283.799 3.173 20 10 CGCDMN CC[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775501845 628101716 /nfs/dbraw/zinc/10/17/16/628101716.db2.gz LVAFRTFHMQMCCB-WFASDCNBSA-N 0 1 294.826 3.323 20 10 CGCDMN CC[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(Cl)ccc1[O-] ZINC000775522949 628103281 /nfs/dbraw/zinc/10/32/81/628103281.db2.gz CHSQZCLEEHUUBO-YRGRVCCFSA-N 0 1 283.799 3.390 20 10 CGCDMN COc1cccc(O)c1CN1CCc2cc(F)ccc2C1 ZINC000779598553 628417998 /nfs/dbraw/zinc/41/79/98/628417998.db2.gz LYEBCWKTWZZFGK-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)C2CC2)c1 ZINC000781897177 628599323 /nfs/dbraw/zinc/59/93/23/628599323.db2.gz PFCWCEMQTINMSP-UHFFFAOYSA-N 0 1 270.170 3.057 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@@H](C)[C@@H](C)O1 ZINC000783737077 628743742 /nfs/dbraw/zinc/74/37/42/628743742.db2.gz JMVPHOGLARCYLX-KXUCPTDWSA-N 0 1 287.762 3.182 20 10 CGCDMN CO[C@H](CC[NH2+]Cc1c([O-])cccc1Cl)C(F)(F)F ZINC000786824183 628966141 /nfs/dbraw/zinc/96/61/41/628966141.db2.gz SJWRGJMQVNEIDV-LLVKDONJSA-N 0 1 297.704 3.103 20 10 CGCDMN CCC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000792166112 629342948 /nfs/dbraw/zinc/34/29/48/629342948.db2.gz PHFBTNUZXWZGPQ-JTQLQIEISA-N 0 1 287.762 3.186 20 10 CGCDMN CC[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792169595 629343330 /nfs/dbraw/zinc/34/33/30/629343330.db2.gz MDIIODVVNFVNTC-VIFPVBQESA-N 0 1 257.736 3.417 20 10 CGCDMN C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)[C@H](C)[C@H](C)O1 ZINC000792180190 629346043 /nfs/dbraw/zinc/34/60/43/629346043.db2.gz NMJTUBKVJGFCGD-BBBLOLIVSA-N 0 1 287.762 3.182 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000793609657 629490457 /nfs/dbraw/zinc/49/04/57/629490457.db2.gz QTSWBMBZKISBHK-CQSZACIVSA-N 0 1 283.799 3.173 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000793609657 629490462 /nfs/dbraw/zinc/49/04/62/629490462.db2.gz QTSWBMBZKISBHK-CQSZACIVSA-N 0 1 283.799 3.173 20 10 CGCDMN CC[C@@H]([NH2+]CCN1CC=CCC1)c1cc(Cl)ccc1[O-] ZINC000794831992 629584277 /nfs/dbraw/zinc/58/42/77/629584277.db2.gz FWRXMSFLEXNLJA-OAHLLOKOSA-N 0 1 294.826 3.348 20 10 CGCDMN COc1ccc(NCc2ccc(F)c(F)c2O)c(F)c1 ZINC000864042289 629736811 /nfs/dbraw/zinc/73/68/11/629736811.db2.gz DLYLYTWEANULET-UHFFFAOYSA-N 0 1 283.249 3.430 20 10 CGCDMN CC1=CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000798090699 630021771 /nfs/dbraw/zinc/02/17/71/630021771.db2.gz YFULZNGPUVJDKX-UHFFFAOYSA-N 0 1 255.720 3.337 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(C)CCOC2)c1[O-] ZINC000808696797 630295173 /nfs/dbraw/zinc/29/51/73/630295173.db2.gz WNBGSURWXFLDNY-NHYWBVRUSA-N 0 1 283.799 3.431 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCOC1 ZINC000801596006 630346601 /nfs/dbraw/zinc/34/66/01/630346601.db2.gz YUEFWKIAUZLYBV-CQSZACIVSA-N 0 1 263.381 3.031 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCOC1 ZINC000801596006 630346604 /nfs/dbraw/zinc/34/66/04/630346604.db2.gz YUEFWKIAUZLYBV-CQSZACIVSA-N 0 1 263.381 3.031 20 10 CGCDMN C[C@@H](N[C@@H](C)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000806660884 630573016 /nfs/dbraw/zinc/57/30/16/630573016.db2.gz QNJZCZQFQOOVNO-RITPCOANSA-N 0 1 269.213 3.272 20 10 CGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccncc1 ZINC000807836488 630599868 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296.842 3.257 20 10 CGCDMN CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001560802537 938276902 /nfs/dbraw/zinc/27/69/02/938276902.db2.gz XJFVYGMWGQFBTG-MRXNPFEDSA-N 0 1 299.361 3.043 20 10 CGCDMN Cc1ccc(O)c(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000086725367 957977456 /nfs/dbraw/zinc/97/74/56/957977456.db2.gz WQELRDDJCMEJQX-UHFFFAOYSA-N 0 1 285.343 3.031 20 10 CGCDMN CCC[N@@H+](C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC001595839594 982755655 /nfs/dbraw/zinc/75/56/55/982755655.db2.gz RWHSFRTYRWKIAI-UHFFFAOYSA-N 0 1 273.332 3.085 20 10 CGCDMN C[C@@H](c1ccccc1)[N@@H+](CCC(=O)[O-])Cc1ccccc1O ZINC001593709676 996206308 /nfs/dbraw/zinc/20/63/08/996206308.db2.gz AVDHYGTXMGFORE-AWEZNQCLSA-N 0 1 299.370 3.430 20 10 CGCDMN CCN(Cc1ccc(N(C)C)c(F)c1)Cc1ccccn1 ZINC000124800393 370926910 /nfs/dbraw/zinc/92/69/10/370926910.db2.gz GULNJZWPSWJCLZ-UHFFFAOYSA-N 0 1 287.382 3.309 20 10 CGCDMN Oc1ccccc1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000072952724 369846196 /nfs/dbraw/zinc/84/61/96/369846196.db2.gz 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/nfs/dbraw/zinc/75/04/01/378750401.db2.gz RQDRPAFSKFWCLY-VXGBXAGGSA-N 0 1 288.395 3.354 20 10 CGCDMN Cc1c2ccccc2n(C)c1CNCc1cncc(F)c1 ZINC000355128001 380589109 /nfs/dbraw/zinc/58/91/09/380589109.db2.gz UECDCZRCBSEKMB-UHFFFAOYSA-N 0 1 283.350 3.311 20 10 CGCDMN Cc1nccnc1[C@@H](C)NCc1ccc2c(c1)CCCN2C ZINC000187897890 397662629 /nfs/dbraw/zinc/66/26/29/397662629.db2.gz JGNDLYRRYKVMMK-CQSZACIVSA-N 0 1 296.418 3.018 20 10 CGCDMN Cc1csc(CN[C@@H](C)c2ccc(C)cc2O)n1 ZINC000038090846 174104559 /nfs/dbraw/zinc/10/45/59/174104559.db2.gz QDTTZMSTZADQBB-NSHDSACASA-N 0 1 262.378 3.316 20 10 CGCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCOC1 ZINC000093840019 260332075 /nfs/dbraw/zinc/33/20/75/260332075.db2.gz LRAIZSVCEYKJTK-VIFPVBQESA-N 0 1 290.190 3.167 20 10 CGCDMN Cc1c([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cnn1C ZINC000185001779 262036412 /nfs/dbraw/zinc/03/64/12/262036412.db2.gz CWOJLBSJIFATIF-NXEZZACHSA-N 0 1 293.798 3.499 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] 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[O-]c1cccc(Cl)c1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000289416823 526363731 /nfs/dbraw/zinc/36/37/31/526363731.db2.gz INUQRDZPVIHKSY-HNNXBMFYSA-N 0 1 291.778 3.259 20 10 CGCDMN COC[C@@H](NCc1ccc(OC)c(C)c1)c1ccccc1 ZINC000733332341 572558051 /nfs/dbraw/zinc/55/80/51/572558051.db2.gz SXFWJKWCOFOTST-QGZVFWFLSA-N 0 1 285.387 3.481 20 10 CGCDMN CCOc1ccc(CNC(C)(C)c2nccs2)c(O)c1 ZINC000734850138 572687101 /nfs/dbraw/zinc/68/71/01/572687101.db2.gz QTMDFHFFHRVTEC-UHFFFAOYSA-N 0 1 292.404 3.272 20 10 CGCDMN Cc1cc(CN2C[C@H]3CC[C@@H](C2)O3)c(O)c(C(C)(C)C)c1 ZINC000744436128 572752662 /nfs/dbraw/zinc/75/26/62/572752662.db2.gz NVPVTQFTEHXKAL-GASCZTMLSA-N 0 1 289.419 3.361 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CC[C@H]1C(F)F ZINC000895433144 619826120 /nfs/dbraw/zinc/82/61/20/619826120.db2.gz UEAPCNLPGKDKIZ-QMMMGPOBSA-N 0 1 265.662 3.024 20 10 CGCDMN Cc1cc(F)ncc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000891397378 618186306 /nfs/dbraw/zinc/18/63/06/618186306.db2.gz NVYKNQVBNZHQQB-UHFFFAOYSA-N 0 1 287.382 3.227 20 10 CGCDMN C[C@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000309847253 618770750 /nfs/dbraw/zinc/77/07/50/618770750.db2.gz VBSIHJNXFOUNMB-LDYMZIIASA-N 0 1 257.786 3.029 20 10 CGCDMN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776220682 619117396 /nfs/dbraw/zinc/11/73/96/619117396.db2.gz YRTLAMYAPHXNGH-QMTHXVAHSA-N 0 1 285.815 3.241 20 10 CGCDMN CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000313478128 619173574 /nfs/dbraw/zinc/17/35/74/619173574.db2.gz CATQAAGTBIGALS-AWEZNQCLSA-N 0 1 283.799 3.437 20 10 CGCDMN CCOC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000313478128 619173576 /nfs/dbraw/zinc/17/35/76/619173576.db2.gz CATQAAGTBIGALS-AWEZNQCLSA-N 0 1 283.799 3.437 20 10 CGCDMN CCOC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000313478129 619173869 /nfs/dbraw/zinc/17/38/69/619173869.db2.gz CATQAAGTBIGALS-CQSZACIVSA-N 0 1 283.799 3.437 20 10 CGCDMN CCOC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000313478129 619173872 /nfs/dbraw/zinc/17/38/72/619173872.db2.gz CATQAAGTBIGALS-CQSZACIVSA-N 0 1 283.799 3.437 20 10 CGCDMN COc1cc(C)cc(CN(C)Cc2occc2C)c1O ZINC000894845542 619650492 /nfs/dbraw/zinc/65/04/92/619650492.db2.gz CDTURZANUGBGGO-UHFFFAOYSA-N 0 1 275.348 3.243 20 10 CGCDMN CSC[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894852396 619652245 /nfs/dbraw/zinc/65/22/45/619652245.db2.gz PPXFFXZMHGGCLQ-JTQLQIEISA-N 0 1 287.375 3.245 20 10 CGCDMN CC(C)C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])N(C)C ZINC000020201563 619769303 /nfs/dbraw/zinc/76/93/03/619769303.db2.gz UKDMVPSYYJKXRO-AWEZNQCLSA-N 0 1 284.831 3.112 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000895585574 619855247 /nfs/dbraw/zinc/85/52/47/619855247.db2.gz ZCHUEHOPKJYVMD-SECBINFHSA-N 0 1 296.342 3.116 20 10 CGCDMN Oc1cccc2c1C[N@@H+](CCc1ccc(F)c(F)c1)C2 ZINC000895784668 619885634 /nfs/dbraw/zinc/88/56/34/619885634.db2.gz KXNMHXBQDCYLDW-UHFFFAOYSA-N 0 1 275.298 3.229 20 10 CGCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897269894 620175466 /nfs/dbraw/zinc/17/54/66/620175466.db2.gz SENHYWPRSYRHOP-AWEZNQCLSA-N 0 1 293.382 3.170 20 10 CGCDMN CN1CCN(c2ccc(/C=C/c3nccs3)cc2)CC1 ZINC000905073956 622037058 /nfs/dbraw/zinc/03/70/58/622037058.db2.gz VHXWNNAUSCYXFS-QPJJXVBHSA-N 0 1 285.416 3.065 20 10 CGCDMN C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H]1C ZINC000226582749 622983427 /nfs/dbraw/zinc/98/34/27/622983427.db2.gz KCBMRKRVNUINQT-JTNHKYCSSA-N 0 1 251.345 3.446 20 10 CGCDMN CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000228631040 623068102 /nfs/dbraw/zinc/06/81/02/623068102.db2.gz GYZAYYXPEDHUOP-GFCCVEGCSA-N 0 1 269.772 3.429 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2nc(C)c(C)s2)c1 ZINC000182371168 624992292 /nfs/dbraw/zinc/99/22/92/624992292.db2.gz OBMSZLNXZWFSLB-JTQLQIEISA-N 0 1 292.404 3.325 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2ccccc2C#N)c1 ZINC000182409323 624997686 /nfs/dbraw/zinc/99/76/86/624997686.db2.gz UYWLCFGBBQXJRU-LBPRGKRZSA-N 0 1 282.343 3.123 20 10 CGCDMN CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000124573146 634428296 /nfs/dbraw/zinc/42/82/96/634428296.db2.gz GFZVNZNTYVLOJA-HZMBPMFUSA-N 0 1 279.355 3.497 20 10 CGCDMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000124573146 634428299 /nfs/dbraw/zinc/42/82/99/634428299.db2.gz GFZVNZNTYVLOJA-HZMBPMFUSA-N 0 1 279.355 3.497 20 10 CGCDMN CCn1nc(C)c(CNCc2ccc3c(c2)CCCO3)c1C ZINC000921672547 625816872 /nfs/dbraw/zinc/81/68/72/625816872.db2.gz ULJVEGUHQPHSLN-UHFFFAOYSA-N 0 1 299.418 3.135 20 10 CGCDMN CN(C)c1ccc(/C=C\CN2CC3(CC(F)C3)C2)cc1 ZINC000839139410 626322499 /nfs/dbraw/zinc/32/24/99/626322499.db2.gz GEHYLMFEQWTUOU-ARJAWSKDSA-N 0 1 274.383 3.200 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)ccc2ccccc21 ZINC000839192589 626329091 /nfs/dbraw/zinc/32/90/91/626329091.db2.gz VMXUTKMOSQHTKE-WBVHZDCISA-N 0 1 283.371 3.156 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)ccc2ccccc21 ZINC000839192589 626329092 /nfs/dbraw/zinc/32/90/92/626329092.db2.gz VMXUTKMOSQHTKE-WBVHZDCISA-N 0 1 283.371 3.156 20 10 CGCDMN C[C@H]([NH2+]CCCN1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756363251 626697147 /nfs/dbraw/zinc/69/71/47/626697147.db2.gz PRWIRWNBKKZYMS-LBPRGKRZSA-N 0 1 298.377 3.197 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCO)c2c1c(F)ccc2[O-] ZINC000756619910 626721490 /nfs/dbraw/zinc/72/14/90/626721490.db2.gz ZAXYZZQJHJGKMV-PWSUYJOCSA-N 0 1 281.371 3.078 20 10 CGCDMN CC[C@H](CCO)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756646385 626724195 /nfs/dbraw/zinc/72/41/95/626724195.db2.gz MSHVZUFPITZICH-WZRBSPASSA-N 0 1 281.371 3.078 20 10 CGCDMN CC[C@@H](O)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756736682 626728703 /nfs/dbraw/zinc/72/87/03/626728703.db2.gz CGBBGLYUYDFPCG-CMPLNLGQSA-N 0 1 271.788 3.247 20 10 CGCDMN COc1ccc(CNCc2ccc3c(c2)CCO3)c(F)c1 ZINC000758485635 626845849 /nfs/dbraw/zinc/84/58/49/626845849.db2.gz APPXOONPBISKGO-UHFFFAOYSA-N 0 1 287.334 3.059 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000761227081 627027037 /nfs/dbraw/zinc/02/70/37/627027037.db2.gz XLNKLLMBYIXFMX-LBPRGKRZSA-N 0 1 263.381 3.269 20 10 CGCDMN COc1cccc([O-])c1C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000761227081 627027039 /nfs/dbraw/zinc/02/70/39/627027039.db2.gz XLNKLLMBYIXFMX-LBPRGKRZSA-N 0 1 263.381 3.269 20 10 CGCDMN C/C=C/C[C@@H](NCc1cccc(Cl)c1O)C(=O)OCC ZINC000763358764 627153772 /nfs/dbraw/zinc/15/37/72/627153772.db2.gz MOLNAVNBTQAIEO-MASHWEEQSA-N 0 1 297.782 3.033 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C[C@@H]1C ZINC000766375146 627324507 /nfs/dbraw/zinc/32/45/07/627324507.db2.gz RMJZWWZWNZJPLE-OLZOCXBDSA-N 0 1 270.376 3.418 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@@H]1C ZINC000766375146 627324508 /nfs/dbraw/zinc/32/45/08/627324508.db2.gz RMJZWWZWNZJPLE-OLZOCXBDSA-N 0 1 270.376 3.418 20 10 CGCDMN C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768143863 627462946 /nfs/dbraw/zinc/46/29/46/627462946.db2.gz PTNFPQJNPQBFII-VIFPVBQESA-N 0 1 284.743 3.328 20 10 CGCDMN CC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2)CCO1 ZINC000768236591 627470332 /nfs/dbraw/zinc/47/03/32/627470332.db2.gz 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QQDPXVJBIWXOIJ-LLVKDONJSA-N 0 1 286.375 3.331 20 10 CGCDMN CCOc1ccc(C[N@H+]2CC[C@H](C(C)C)C2)c(O)c1 ZINC000770307604 627612750 /nfs/dbraw/zinc/61/27/50/627612750.db2.gz TYNNKWYSRCXICO-ZDUSSCGKSA-N 0 1 263.381 3.269 20 10 CGCDMN CC(C)n1ccc(CN[C@H](C)c2ccccc2O)n1 ZINC000775136528 628066985 /nfs/dbraw/zinc/06/69/85/628066985.db2.gz KQRVUIZMOKZGBU-GFCCVEGCSA-N 0 1 259.353 3.020 20 10 CGCDMN CC[C@@H]([NH2+]CCc1nc(C)no1)c1cc(Cl)ccc1[O-] ZINC000775519889 628103448 /nfs/dbraw/zinc/10/34/48/628103448.db2.gz TWTWCLHSUIWSBQ-GFCCVEGCSA-N 0 1 295.770 3.020 20 10 CGCDMN CC[C@@H]([NH2+]CC1(CO)CCC1)c1cc(Cl)ccc1[O-] ZINC000775550733 628105619 /nfs/dbraw/zinc/10/56/19/628105619.db2.gz AEZWHGFVXKEPPU-CYBMUJFWSA-N 0 1 283.799 3.249 20 10 CGCDMN C[N@@H+](CCOC(C)(C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775723604 628129328 /nfs/dbraw/zinc/12/93/28/628129328.db2.gz JDQPZSIYCAKJQF-UHFFFAOYSA-N 0 1 289.778 3.432 20 10 CGCDMN C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C[C@@H]1F ZINC000777965512 628316756 /nfs/dbraw/zinc/31/67/56/628316756.db2.gz WZKIOESJEZUMBD-NHYWBVRUSA-N 0 1 274.339 3.120 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@@H]1F ZINC000777965512 628316760 /nfs/dbraw/zinc/31/67/60/628316760.db2.gz WZKIOESJEZUMBD-NHYWBVRUSA-N 0 1 274.339 3.120 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2ccc(Cl)cn2)cc1 ZINC000778214880 628334849 /nfs/dbraw/zinc/33/48/49/628334849.db2.gz XDMMLASDJWSZLF-UHFFFAOYSA-N 0 1 289.810 3.433 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1F ZINC000779151127 628390702 /nfs/dbraw/zinc/39/07/02/628390702.db2.gz VMKCGINIMAROHK-CABZTGNLSA-N 0 1 257.736 3.226 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000779189992 628393413 /nfs/dbraw/zinc/39/34/13/628393413.db2.gz VDSQWCGZTGQMQI-ZDUSSCGKSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000779189992 628393415 /nfs/dbraw/zinc/39/34/15/628393415.db2.gz VDSQWCGZTGQMQI-ZDUSSCGKSA-N 0 1 295.810 3.437 20 10 CGCDMN CC(C)[C@@H]1CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792173491 629345211 /nfs/dbraw/zinc/34/52/11/629345211.db2.gz ZUUOMSLNUGQMEW-NSHDSACASA-N 0 1 257.736 3.415 20 10 CGCDMN CCn1ncnc1CN[C@@H](C)c1ccc2ccccc2c1O ZINC000794841608 629586972 /nfs/dbraw/zinc/58/69/72/629586972.db2.gz NHUOCGPDKPRVRS-LBPRGKRZSA-N 0 1 296.374 3.008 20 10 CGCDMN Oc1c(CNc2ccc3c(c2)OCCO3)ccc(F)c1F ZINC000864018493 629727069 /nfs/dbraw/zinc/72/70/69/629727069.db2.gz GZWHIUAMCQVBRX-UHFFFAOYSA-N 0 1 293.269 3.054 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H](CO)CC1CCCC1 ZINC000798503929 630060445 /nfs/dbraw/zinc/06/04/45/630060445.db2.gz QKMQEJOPUSCBEK-CYBMUJFWSA-N 0 1 297.826 3.324 20 10 CGCDMN CC(C)CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836186 630599980 /nfs/dbraw/zinc/59/99/80/630599980.db2.gz QOVCIFRFPIOXDL-UHFFFAOYSA-N 0 1 276.163 3.361 20 10 CGCDMN CC(C)C[C@@H](CO)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000809767567 630802677 /nfs/dbraw/zinc/80/26/77/630802677.db2.gz OHWIFJYLSSDZKD-JTQLQIEISA-N 0 1 289.778 3.024 20 10 CGCDMN CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000810253706 630859822 /nfs/dbraw/zinc/85/98/22/630859822.db2.gz AZXFUFFQUGYMGE-NEPJUHHUSA-N 0 1 284.831 3.425 20 10 CGCDMN C/C=C(/C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684182 631452899 /nfs/dbraw/zinc/45/28/99/631452899.db2.gz LXLMTPHEVSOTBJ-CLTKARDFSA-N 0 1 274.147 3.281 20 10 CGCDMN COc1cccc(O)c1CN1Cc2ccccc2O[C@@H](C)C1 ZINC000814177411 631537910 /nfs/dbraw/zinc/53/79/10/631537910.db2.gz AYOMIDRMZRLBDN-ZDUSSCGKSA-N 0 1 299.370 3.184 20 10 CGCDMN Cc1ccoc1CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000814175006 631538648 /nfs/dbraw/zinc/53/86/48/631538648.db2.gz OLFNTWSSWMBUCO-UHFFFAOYSA-N 0 1 276.355 3.425 20 10 CGCDMN COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000814177912 631538958 /nfs/dbraw/zinc/53/89/58/631538958.db2.gz UOJIUMPYRFGWCG-ZDUSSCGKSA-N 0 1 299.798 3.065 20 10 CGCDMN Cc1cc(CN2CCO[C@H](C(C)(C)C)C2)ccc1N(C)C ZINC000815101791 631718125 /nfs/dbraw/zinc/71/81/25/631718125.db2.gz CFDSRTWHCNUOTK-KRWDZBQOSA-N 0 1 290.451 3.308 20 10 CGCDMN C[N@H+](CCCCCO)Cc1ccc2ccccc2c1[O-] ZINC000816594220 632019670 /nfs/dbraw/zinc/01/96/70/632019670.db2.gz UGJUMFFIGYUHFC-UHFFFAOYSA-N 0 1 273.376 3.140 20 10 CGCDMN C[N@@H+](CCCCCO)Cc1ccc2ccccc2c1[O-] ZINC000816594220 632019677 /nfs/dbraw/zinc/01/96/77/632019677.db2.gz UGJUMFFIGYUHFC-UHFFFAOYSA-N 0 1 273.376 3.140 20 10 CGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])[C@@H]1CCCOC1 ZINC000816608118 632023649 /nfs/dbraw/zinc/02/36/49/632023649.db2.gz POFVJXLFGKHTRA-OAHLLOKOSA-N 0 1 271.360 3.156 20 10 CGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])[C@@H]1CCCOC1 ZINC000816608118 632023654 /nfs/dbraw/zinc/02/36/54/632023654.db2.gz POFVJXLFGKHTRA-OAHLLOKOSA-N 0 1 271.360 3.156 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1 ZINC000816648983 632035568 /nfs/dbraw/zinc/03/55/68/632035568.db2.gz RNQMJYYPQGHZLE-ZJUUUORDSA-N 0 1 284.197 3.303 20 10 CGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC12CC2 ZINC000817603129 632194262 /nfs/dbraw/zinc/19/42/62/632194262.db2.gz IXXOUBWMMDXHQY-SECBINFHSA-N 0 1 286.158 3.115 20 10 CGCDMN CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817958398 632253836 /nfs/dbraw/zinc/25/38/36/632253836.db2.gz JHJVPYHJBDFQNO-KWQFWETISA-N 0 1 291.222 3.333 20 10 CGCDMN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c1O ZINC000818631547 632343321 /nfs/dbraw/zinc/34/33/21/632343321.db2.gz IXOGQOBYRJOQMK-TVQRCGJNSA-N 0 1 297.782 3.039 20 10 CGCDMN COc1cc(Cl)cc(CN2CC(CC(F)F)C2)c1O ZINC000822521268 632959503 /nfs/dbraw/zinc/95/95/03/632959503.db2.gz ZTTUJFLSLQAUHP-UHFFFAOYSA-N 0 1 291.725 3.141 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)ccc2ccccc21 ZINC000822540046 632965902 /nfs/dbraw/zinc/96/59/02/632965902.db2.gz UYGVOYJJSRTPHE-QDMKHBRRSA-N 0 1 253.345 3.434 20 10 CGCDMN C[C@@H](CCO)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824516618 633252001 /nfs/dbraw/zinc/25/20/01/633252001.db2.gz MQZGCTUGMURHFG-CYBMUJFWSA-N 0 1 273.376 3.044 20 10 CGCDMN CCC[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])OC ZINC000824543169 633256717 /nfs/dbraw/zinc/25/67/17/633256717.db2.gz FSGRBVJOKWZAJU-OAHLLOKOSA-N 0 1 273.376 3.450 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1C ZINC000824820935 633297848 /nfs/dbraw/zinc/29/78/48/633297848.db2.gz RCRBGGUYUOLQQJ-DYVFJYSZSA-N 0 1 285.387 3.402 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1C ZINC000824820935 633297852 /nfs/dbraw/zinc/29/78/52/633297852.db2.gz RCRBGGUYUOLQQJ-DYVFJYSZSA-N 0 1 285.387 3.402 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000824895604 633303000 /nfs/dbraw/zinc/30/30/00/633303000.db2.gz ZZFNBCYEAIMAKT-CHWSQXEVSA-N 0 1 295.810 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000824895604 633303004 /nfs/dbraw/zinc/30/30/04/633303004.db2.gz ZZFNBCYEAIMAKT-CHWSQXEVSA-N 0 1 295.810 3.212 20 10 CGCDMN COc1cccnc1CNCc1cc(Cl)cc(C)c1O ZINC000825249859 633339682 /nfs/dbraw/zinc/33/96/82/633339682.db2.gz PRHRBXDUIKASQB-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)c2ccccc2)cc1Cl ZINC000825278718 633341624 /nfs/dbraw/zinc/34/16/24/633341624.db2.gz OYDWBXKFRXKXJO-HNNXBMFYSA-N 0 1 291.778 3.177 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(C)CCCO2)cc1Cl ZINC000825358645 633348381 /nfs/dbraw/zinc/34/83/81/633348381.db2.gz UEHOKGGOJGFQDE-CQSZACIVSA-N 0 1 269.772 3.013 20 10 CGCDMN Cc1cc(O)c(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1Cl ZINC000826143039 633407798 /nfs/dbraw/zinc/40/77/98/633407798.db2.gz RBGNCEYZUQOADO-AOOOYVTPSA-N 0 1 273.710 3.051 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1Cl ZINC000827481113 633493042 /nfs/dbraw/zinc/49/30/42/633493042.db2.gz KXMTVMLSTLYPKJ-YABSGUDNSA-N 0 1 251.757 3.242 20 10 CGCDMN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000827506054 633495518 /nfs/dbraw/zinc/49/55/18/633495518.db2.gz BWDVOVMUPJEBQB-GHMZBOCLSA-N 0 1 296.208 3.305 20 10 CGCDMN C[N@@H+](CC1=CCSC1)Cc1c([O-])ccc(Cl)c1F ZINC000827805901 633519921 /nfs/dbraw/zinc/51/99/21/633519921.db2.gz NKSDJHPKXKBRLV-UHFFFAOYSA-N 0 1 287.787 3.290 20 10 CGCDMN Cc1ccc([C@H](C)N[C@H]2C[C@H](C)n3ccnc32)c(O)c1 ZINC000834894262 634271868 /nfs/dbraw/zinc/27/18/68/634271868.db2.gz JVFHEGUXYNOEKQ-OBJOEFQTSA-N 0 1 271.364 3.254 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c2c1c(F)ccc2[O-] ZINC000834904823 634281371 /nfs/dbraw/zinc/28/13/71/634281371.db2.gz QVLIHCAGRQMYRA-ZYHUDNBSSA-N 0 1 295.398 3.466 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cc(Cl)ccc1[O-] ZINC000834906922 634282921 /nfs/dbraw/zinc/28/29/21/634282921.db2.gz UIPXHOASYBZDQA-UKRRQHHQSA-N 0 1 283.799 3.247 20 10 CGCDMN CN(C)c1ccc(/C=C\CN2CCC(F)(F)CC2)cc1 ZINC000835054127 634338431 /nfs/dbraw/zinc/33/84/31/634338431.db2.gz NNASFIRTKMUUMI-ARJAWSKDSA-N 0 1 280.362 3.497 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2cccnc2)c(Cl)c1 ZINC000840873599 635070623 /nfs/dbraw/zinc/07/06/23/635070623.db2.gz COFVFHYGAWGXIQ-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN CCCCOCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840887914 635076476 /nfs/dbraw/zinc/07/64/76/635076476.db2.gz QKBALMXGICMGEV-UHFFFAOYSA-N 0 1 271.788 3.260 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CC2(O)CCCC2)c(Cl)c1 ZINC000840917854 635083036 /nfs/dbraw/zinc/08/30/36/635083036.db2.gz OLWVSDSCEFDODF-UHFFFAOYSA-N 0 1 283.799 3.091 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CC2(O)CCCC2)c(Cl)c1 ZINC000840917854 635083038 /nfs/dbraw/zinc/08/30/38/635083038.db2.gz OLWVSDSCEFDODF-UHFFFAOYSA-N 0 1 283.799 3.091 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC(C)(C)O2)c(Cl)c1 ZINC000840939996 635087284 /nfs/dbraw/zinc/08/72/84/635087284.db2.gz RVSTZBAWUFYQCI-LLVKDONJSA-N 0 1 283.799 3.401 20 10 CGCDMN CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840938746 635087356 /nfs/dbraw/zinc/08/73/56/635087356.db2.gz GMNLJQNOARVHML-MNOVXSKESA-N 0 1 299.798 3.031 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]Cc2cnccc2C)c(Cl)c1 ZINC000840950877 635090906 /nfs/dbraw/zinc/09/09/06/635090906.db2.gz QBGCCXRBDOVLRF-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN Cc1ccc(CNCc2ccc(N(C)C)cc2C)nc1C ZINC000840952667 635092442 /nfs/dbraw/zinc/09/24/42/635092442.db2.gz FGIJOUSJXJWXRJ-UHFFFAOYSA-N 0 1 283.419 3.363 20 10 CGCDMN Cc1cccc(O)c1CN1CCc2nc(C(C)C)ncc2C1 ZINC000877650638 635131658 /nfs/dbraw/zinc/13/16/58/635131658.db2.gz SJVQISIRHCGAJI-UHFFFAOYSA-N 0 1 297.402 3.172 20 10 CGCDMN CSC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000877663182 635137571 /nfs/dbraw/zinc/13/75/71/635137571.db2.gz JSVZXRSVJUBNFD-UHFFFAOYSA-N 0 1 271.813 3.373 20 10 CGCDMN Cc1cc(CN2Cc3cccc(O)c3C2)cc(C)c1O ZINC000877702994 635153689 /nfs/dbraw/zinc/15/36/89/635153689.db2.gz NNBNWIPGZPZPEN-UHFFFAOYSA-N 0 1 269.344 3.230 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(Cl)cc1[O-] ZINC000841743423 635221087 /nfs/dbraw/zinc/22/10/87/635221087.db2.gz GFYURXTTZQLHET-NOZJJQNGSA-N 0 1 281.739 3.023 20 10 CGCDMN CCN(CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841747402 635224318 /nfs/dbraw/zinc/22/43/18/635224318.db2.gz QFUPSRFEROAVOS-LLVKDONJSA-N 0 1 282.815 3.181 20 10 CGCDMN CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753832 635227782 /nfs/dbraw/zinc/22/77/82/635227782.db2.gz WZOUTKXPLUZUIV-AEJSXWLSSA-N 0 1 257.761 3.120 20 10 CGCDMN Cc1nnc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841756834 635230359 /nfs/dbraw/zinc/23/03/59/635230359.db2.gz KLPSWGWWZDJGAS-QMMMGPOBSA-N 0 1 297.811 3.099 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])[C@@H](O)C(F)F ZINC000841758960 635231531 /nfs/dbraw/zinc/23/15/31/635231531.db2.gz WIYIDZPNDJRIFV-INNHCVQGSA-N 0 1 293.741 3.101 20 10 CGCDMN C[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccc(Cl)cc1[O-] ZINC000841757095 635231577 /nfs/dbraw/zinc/23/15/77/635231577.db2.gz MCRDKMJWMMGKSW-RNCFNFMXSA-N 0 1 269.772 3.121 20 10 CGCDMN CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757109 635231714 /nfs/dbraw/zinc/23/17/14/635231714.db2.gz MGSUJPUAZLUUFN-MRCXROJRSA-N 0 1 269.772 3.264 20 10 CGCDMN Cc1cnc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841759341 635233079 /nfs/dbraw/zinc/23/30/79/635233079.db2.gz YSFHYNKVGAHNKA-NSHDSACASA-N 0 1 291.782 3.037 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@@H]1C ZINC000878150425 635379394 /nfs/dbraw/zinc/37/93/94/635379394.db2.gz DCHPKFQNWPQRKZ-KGLIPLIRSA-N 0 1 263.381 3.029 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@@H]1C ZINC000878150425 635379401 /nfs/dbraw/zinc/37/94/01/635379401.db2.gz DCHPKFQNWPQRKZ-KGLIPLIRSA-N 0 1 263.381 3.029 20 10 CGCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CC2(CCC2)O1 ZINC000842641832 635425944 /nfs/dbraw/zinc/42/59/44/635425944.db2.gz XUMOEGKYHWDZGA-ZDUSSCGKSA-N 0 1 298.386 3.084 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CC2(CCC2)O1 ZINC000842641832 635425961 /nfs/dbraw/zinc/42/59/61/635425961.db2.gz XUMOEGKYHWDZGA-ZDUSSCGKSA-N 0 1 298.386 3.084 20 10 CGCDMN CCCC[N@@H+](Cc1cc[nH]c(=O)c1)Cc1ccccc1O ZINC000878565825 635557876 /nfs/dbraw/zinc/55/78/76/635557876.db2.gz PXJBRGGMPAIYRZ-UHFFFAOYSA-N 0 1 286.375 3.295 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000844907094 635980854 /nfs/dbraw/zinc/98/08/54/635980854.db2.gz HHPBMMIZQPFOEN-AWEZNQCLSA-N 0 1 288.778 3.172 20 10 CGCDMN CC[C@H]1CN(Cc2cc(Cl)c(F)cc2O)[C@@H](C)CO1 ZINC000846043954 636137893 /nfs/dbraw/zinc/13/78/93/636137893.db2.gz DUOPOHUOIHGURT-ONGXEEELSA-N 0 1 287.762 3.184 20 10 CGCDMN C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)C2(CCC2)CO1 ZINC000846067344 636140608 /nfs/dbraw/zinc/14/06/08/636140608.db2.gz PVPXNLGTDIESBJ-JTQLQIEISA-N 0 1 299.773 3.328 20 10 CGCDMN CCc1ncc(C[NH2+]Cc2cc(Cl)ccc2[O-])s1 ZINC000846058807 636140649 /nfs/dbraw/zinc/14/06/49/636140649.db2.gz UJKFYXWBPVGSLV-UHFFFAOYSA-N 0 1 282.796 3.354 20 10 CGCDMN Oc1c(F)cc(F)cc1CN[C@@H](C1CC1)C(F)(F)F ZINC000883120466 636546041 /nfs/dbraw/zinc/54/60/41/636546041.db2.gz DSCQRBLTCQSWQF-NSHDSACASA-N 0 1 281.224 3.101 20 10 CGCDMN c1cn2c(n1)[C@H](NCc1ccc(N3CCCC3)cc1)CCC2 ZINC000848517472 636584506 /nfs/dbraw/zinc/58/45/06/636584506.db2.gz DMMZAFJWSAHUHH-QGZVFWFLSA-N 0 1 296.418 3.108 20 10 CGCDMN CCc1cccc(CN[C@H](COC)c2ccco2)c1O ZINC000848898379 636680803 /nfs/dbraw/zinc/68/08/03/636680803.db2.gz USFLIOUEWVRQTH-CQSZACIVSA-N 0 1 275.348 3.025 20 10 CGCDMN CCc1cccc(CNCc2cn3cccc(C)c3n2)c1O ZINC000848901133 636681662 /nfs/dbraw/zinc/68/16/62/636681662.db2.gz UPPCCVVLJWSITO-UHFFFAOYSA-N 0 1 295.386 3.201 20 10 CGCDMN Cc1noc([C@H](C)N(C)Cc2c(O)ccc(Cl)c2F)n1 ZINC000848926439 636698956 /nfs/dbraw/zinc/69/89/56/636698956.db2.gz XTEFTZWXTTYASG-ZETCQYMHSA-N 0 1 299.733 3.069 20 10 CGCDMN CC1(C)[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])C1(F)F ZINC000850393404 637045345 /nfs/dbraw/zinc/04/53/45/637045345.db2.gz CEBMVJXLGZSDRI-LLVKDONJSA-N 0 1 275.726 3.427 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000850392691 637045657 /nfs/dbraw/zinc/04/56/57/637045657.db2.gz MOLAVSGPVHEFKI-PTEHBNRSSA-N 0 1 282.181 3.043 20 10 CGCDMN CSCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134908055 637050374 /nfs/dbraw/zinc/05/03/74/637050374.db2.gz IKBKNAAZAJVLJR-MRVPVSSYSA-N 0 1 290.226 3.168 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCc1ccco1 ZINC000850407453 637050566 /nfs/dbraw/zinc/05/05/66/637050566.db2.gz ISJOIJXKLHRWEN-UHFFFAOYSA-N 0 1 265.740 3.361 20 10 CGCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1nccn1C ZINC000850573162 637129911 /nfs/dbraw/zinc/12/99/11/637129911.db2.gz VMUFLOXIQBYDTL-NXEZZACHSA-N 0 1 279.771 3.191 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1[O-] ZINC000135821935 637188515 /nfs/dbraw/zinc/18/85/15/637188515.db2.gz LOLLSWCHSACFCW-VHSXEESVSA-N 0 1 281.783 3.479 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)C[C@H]2C)c1[O-] ZINC000135821935 637188520 /nfs/dbraw/zinc/18/85/20/637188520.db2.gz LOLLSWCHSACFCW-VHSXEESVSA-N 0 1 281.783 3.479 20 10 CGCDMN Oc1cccc2c1[C@@H](NCc1cc(C3CC3)no1)CC2 ZINC000886685015 637650832 /nfs/dbraw/zinc/65/08/32/637650832.db2.gz YLHBSEAJIWZVIG-ZDUSSCGKSA-N 0 1 270.332 3.035 20 10 CGCDMN C[C@H]1COC2(CCC2)C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000853541297 637865237 /nfs/dbraw/zinc/86/52/37/637865237.db2.gz FUXVFZZDNYLHEN-ZDUSSCGKSA-N 0 1 298.386 3.084 20 10 CGCDMN C[C@H]1COC2(CCC2)C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000853541297 637865241 /nfs/dbraw/zinc/86/52/41/637865241.db2.gz FUXVFZZDNYLHEN-ZDUSSCGKSA-N 0 1 298.386 3.084 20 10 CGCDMN C[C@H]1COC2(CCC2)C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000853541297 637865245 /nfs/dbraw/zinc/86/52/45/637865245.db2.gz FUXVFZZDNYLHEN-ZDUSSCGKSA-N 0 1 298.386 3.084 20 10 CGCDMN C[C@H](CC1CC1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000112711615 638110622 /nfs/dbraw/zinc/11/06/22/638110622.db2.gz CIKXLYAQQFFFDK-SECBINFHSA-N 0 1 284.197 3.433 20 10 CGCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1cnn(C2CCC2)c1 ZINC000924902424 638422951 /nfs/dbraw/zinc/42/29/51/638422951.db2.gz ZJMKYKUCGLTYLA-ZDUSSCGKSA-N 0 1 297.402 3.394 20 10 CGCDMN CCOc1cncc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000857048860 638442225 /nfs/dbraw/zinc/44/22/25/638442225.db2.gz CBDGLWRPUAWGLP-UHFFFAOYSA-N 0 1 292.766 3.129 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC(CC2CC2)C1 ZINC000857066778 638448169 /nfs/dbraw/zinc/44/81/69/638448169.db2.gz VKTAASXXSBPKDO-UHFFFAOYSA-N 0 1 251.757 3.278 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)C2)c1[O-] ZINC000040719058 639896417 /nfs/dbraw/zinc/89/64/17/639896417.db2.gz QRYLSSYQWGRCNR-VIFPVBQESA-N 0 1 267.756 3.090 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C2)c1[O-] ZINC000040719058 639896419 /nfs/dbraw/zinc/89/64/19/639896419.db2.gz QRYLSSYQWGRCNR-VIFPVBQESA-N 0 1 267.756 3.090 20 10 CGCDMN CCO[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000155473703 639937470 /nfs/dbraw/zinc/93/74/70/639937470.db2.gz NLJBPHOPPRQDNI-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN CCO[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000155473703 639937479 /nfs/dbraw/zinc/93/74/79/639937479.db2.gz NLJBPHOPPRQDNI-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN Cc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cn1 ZINC000083551944 640596449 /nfs/dbraw/zinc/59/64/49/640596449.db2.gz LQFCDBDJVYMNFT-UHFFFAOYSA-N 0 1 262.740 3.039 20 10 CGCDMN C[N@@H+](Cc1cccc(Br)c1[O-])C1CCC1 ZINC000093475839 640772537 /nfs/dbraw/zinc/77/25/37/640772537.db2.gz PNYPCINUFIIZCB-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN CCN(CC)c1ccc(CN2CCOC[C@H]2C2CC2)cc1 ZINC000093645845 640778377 /nfs/dbraw/zinc/77/83/77/640778377.db2.gz FUITVGLTRSFSBR-SFHVURJKSA-N 0 1 288.435 3.144 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000113326130 640975495 /nfs/dbraw/zinc/97/54/95/640975495.db2.gz INXVWIUXURZTFY-OAHLLOKOSA-N 0 1 295.741 3.008 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCOC1CCCC1 ZINC000113331092 640975583 /nfs/dbraw/zinc/97/55/83/640975583.db2.gz UXZUCWJLKCQRGE-UHFFFAOYSA-N 0 1 283.799 3.485 20 10 CGCDMN CCOc1ccc2nc(-c3ccc(O)c(O)c3)[nH]c2c1 ZINC001250464795 805632019 /nfs/dbraw/zinc/63/20/19/805632019.db2.gz MDPPUQFFFYKSCX-UHFFFAOYSA-N 0 1 270.288 3.040 20 10 CGCDMN CN(C)c1ccc(-c2nc3cc4c(cc3[nH]2)OCC4)cc1 ZINC001250468963 805636460 /nfs/dbraw/zinc/63/64/60/805636460.db2.gz WJQMORJONKTLOA-UHFFFAOYSA-N 0 1 279.343 3.231 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC2CC2)c1[O-] ZINC000037925868 798879304 /nfs/dbraw/zinc/87/93/04/798879304.db2.gz WNORWRLMMRJUSK-UHFFFAOYSA-N 0 1 267.756 3.090 20 10 CGCDMN CN(C)C1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCCC1 ZINC000112016923 798984629 /nfs/dbraw/zinc/98/46/29/798984629.db2.gz FVFQXVBRXBNLDO-UHFFFAOYSA-N 0 1 282.815 3.010 20 10 CGCDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000161296437 799078901 /nfs/dbraw/zinc/07/89/01/799078901.db2.gz RMSZWHDIHKMYFU-ZJUUUORDSA-N 0 1 284.197 3.385 20 10 CGCDMN CC[C@H](C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])OC ZINC000381136753 799373926 /nfs/dbraw/zinc/37/39/26/799373926.db2.gz IKZYMEJYPQAISM-IINYFYTJSA-N 0 1 271.788 3.196 20 10 CGCDMN CC[C@@H](C)[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)OC ZINC000394480912 799496875 /nfs/dbraw/zinc/49/68/75/799496875.db2.gz LDTLXFDMECOERQ-QMTHXVAHSA-N 0 1 271.788 3.196 20 10 CGCDMN CCOc1cccc(CN2C[C@H](CC)O[C@@H](CC)C2)c1O ZINC000398733701 799532852 /nfs/dbraw/zinc/53/28/52/799532852.db2.gz NJEOIEJDHMFRKY-GJZGRUSLSA-N 0 1 293.407 3.180 20 10 CGCDMN C[C@@H](NCc1ccns1)c1ccc(N(C)C)cc1 ZINC000404397932 799575393 /nfs/dbraw/zinc/57/53/93/799575393.db2.gz TYJJQZAVFAABPC-LLVKDONJSA-N 0 1 261.394 3.060 20 10 CGCDMN CCn1cc(CN[C@@H](C)c2ccc3ccccc3c2O)nn1 ZINC000404505139 799576887 /nfs/dbraw/zinc/57/68/87/799576887.db2.gz LEKXUIZMWKTDLV-LBPRGKRZSA-N 0 1 296.374 3.008 20 10 CGCDMN Cc1ccc(CC[NH2+]Cc2cc(Cl)ccc2[O-])o1 ZINC000689750128 799767370 /nfs/dbraw/zinc/76/73/70/799767370.db2.gz YNSNAWZAXVOPNH-UHFFFAOYSA-N 0 1 265.740 3.279 20 10 CGCDMN C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691394130 799783552 /nfs/dbraw/zinc/78/35/52/799783552.db2.gz AOPRWLDZLGJQLA-KWQFWETISA-N 0 1 270.170 3.043 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+]CC1CCC1 ZINC000691396095 799784240 /nfs/dbraw/zinc/78/42/40/799784240.db2.gz QSMKBOCESOUTFL-UHFFFAOYSA-N 0 1 270.170 3.044 20 10 CGCDMN CCC(F)(F)CNCc1cccc(Br)c1O ZINC000700159924 799869062 /nfs/dbraw/zinc/86/90/62/799869062.db2.gz MZHHQLHRQCTNKR-UHFFFAOYSA-N 0 1 294.139 3.290 20 10 CGCDMN COc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000703347952 799923202 /nfs/dbraw/zinc/92/32/02/799923202.db2.gz MKRYSNGDJDQWGU-UHFFFAOYSA-N 0 1 265.259 3.291 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)ccc(F)c1F ZINC000703532673 799925923 /nfs/dbraw/zinc/92/59/23/799925923.db2.gz UTCYTCHTHUZAHU-SECBINFHSA-N 0 1 295.251 3.445 20 10 CGCDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CCC1 ZINC000706723597 799966233 /nfs/dbraw/zinc/96/62/33/799966233.db2.gz OZROIXJLTVRGMM-UHFFFAOYSA-N 0 1 265.328 3.108 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000708382640 799986231 /nfs/dbraw/zinc/98/62/31/799986231.db2.gz GNTVWRJDQIUIIU-HZMBPMFUSA-N 0 1 267.319 3.435 20 10 CGCDMN CO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C12CCC2 ZINC000713470971 800109470 /nfs/dbraw/zinc/10/94/70/800109470.db2.gz NRTMQHFLEFMOMF-UONOGXRCSA-N 0 1 281.783 3.093 20 10 CGCDMN Cc1nc(CN[C@H](C)c2ccccc2O)sc1C ZINC000719626138 800247174 /nfs/dbraw/zinc/24/71/74/800247174.db2.gz PORROPSHBWKZAC-SNVBAGLBSA-N 0 1 262.378 3.316 20 10 CGCDMN CN(C)c1cc(F)c(CNCCC(F)(F)F)cc1F ZINC001118909578 802616036 /nfs/dbraw/zinc/61/60/36/802616036.db2.gz VHAITFTUPXPWDB-UHFFFAOYSA-N 0 1 282.256 3.073 20 10 CGCDMN CCc1ccc([C@H]2CN(Cc3ccc(N)cc3)CCO2)cc1 ZINC001120371158 802742783 /nfs/dbraw/zinc/74/27/83/802742783.db2.gz SPAHVHZTOKVMOC-LJQANCHMSA-N 0 1 296.414 3.405 20 10 CGCDMN [O-]c1cccc(F)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001137832785 803778609 /nfs/dbraw/zinc/77/86/09/803778609.db2.gz HQUIPPABRPNURK-AOOOYVTPSA-N 0 1 271.282 3.008 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001139682662 804251480 /nfs/dbraw/zinc/25/14/80/804251480.db2.gz AIXFEKMFKGQVGT-MRVPVSSYSA-N 0 1 295.251 3.445 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC001139686399 804254577 /nfs/dbraw/zinc/25/45/77/804254577.db2.gz XVJPAGNAKBLMQI-UHFFFAOYSA-N 0 1 297.345 3.206 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCOC2(CCCCC2)C1 ZINC001139686399 804254585 /nfs/dbraw/zinc/25/45/85/804254585.db2.gz XVJPAGNAKBLMQI-UHFFFAOYSA-N 0 1 297.345 3.206 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001140337742 804418139 /nfs/dbraw/zinc/41/81/39/804418139.db2.gz BYKWGCPDBKUACN-SNVBAGLBSA-N 0 1 257.736 3.370 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](F)CC1 ZINC001140337742 804418142 /nfs/dbraw/zinc/41/81/42/804418142.db2.gz BYKWGCPDBKUACN-SNVBAGLBSA-N 0 1 257.736 3.370 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001140583476 804466287 /nfs/dbraw/zinc/46/62/87/804466287.db2.gz ILWSARHWXFXJLC-ZETCQYMHSA-N 0 1 281.224 3.055 20 10 CGCDMN Cc1c(O)ccc(CN(C)Cc2ccc(Cl)nc2)c1O ZINC001140749332 804505021 /nfs/dbraw/zinc/50/50/21/804505021.db2.gz VUZZCOLGQBTHKI-UHFFFAOYSA-N 0 1 292.766 3.087 20 10 CGCDMN CCC(CC)[N@@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141029675 804575040 /nfs/dbraw/zinc/57/50/40/804575040.db2.gz ZMAQJHSEKYLSED-UHFFFAOYSA-N 0 1 267.369 3.030 20 10 CGCDMN Oc1ccc(O)c(CN2CCSc3ccccc3C2)c1 ZINC001141162607 804601610 /nfs/dbraw/zinc/60/16/10/804601610.db2.gz XAQJUEPZULRQOY-UHFFFAOYSA-N 0 1 287.384 3.206 20 10 CGCDMN COCC[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142520061 804729953 /nfs/dbraw/zinc/72/99/53/804729953.db2.gz AYDTZYJXDHDADT-GFCCVEGCSA-N 0 1 285.334 3.061 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001142520474 804730432 /nfs/dbraw/zinc/73/04/32/804730432.db2.gz KCTOUYWOUCEQIH-OAHLLOKOSA-N 0 1 290.313 3.403 20 10 CGCDMN C[N@@H+](Cc1cccs1)Cc1cc(F)c(F)cc1[O-] ZINC001142521124 804731257 /nfs/dbraw/zinc/73/12/57/804731257.db2.gz YJQPDNBLHQTMOZ-UHFFFAOYSA-N 0 1 269.316 3.364 20 10 CGCDMN CC(C)(C)c1cccc(CN2CC[C@@H](F)C2)c1O ZINC001143103897 804802654 /nfs/dbraw/zinc/80/26/54/804802654.db2.gz MRWNVADSRZFZCG-GFCCVEGCSA-N 0 1 251.345 3.234 20 10 CGCDMN CC[C@H](C)c1nn(C)cc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001249408515 805142644 /nfs/dbraw/zinc/14/26/44/805142644.db2.gz GALRLEBYUCCRRY-ZDUSSCGKSA-N 0 1 299.418 3.198 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)C2(C)CC2)c1[O-] ZINC001176767667 809759078 /nfs/dbraw/zinc/75/90/78/809759078.db2.gz PYBOEYHJSGHJDP-JTQLQIEISA-N 0 1 265.328 3.012 20 10 CGCDMN C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC001180039092 809968336 /nfs/dbraw/zinc/96/83/36/809968336.db2.gz LHKHVBGYPRNPRB-IDTUSYRASA-N 0 1 288.435 3.265 20 10 CGCDMN Cc1ccncc1C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001181921808 810084242 /nfs/dbraw/zinc/08/42/42/810084242.db2.gz URUVGCHMTQYPPO-UHFFFAOYSA-N 0 1 262.740 3.039 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc2n[nH]cc21 ZINC001182686271 810120542 /nfs/dbraw/zinc/12/05/42/810120542.db2.gz ZYPBUSWHJHUIHO-UHFFFAOYSA-N 0 1 287.750 3.212 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC001182756155 810123341 /nfs/dbraw/zinc/12/33/41/810123341.db2.gz WZTPFDCFXZHQJB-CQSZACIVSA-N 0 1 251.345 3.450 20 10 CGCDMN CC(C)c1ccc(O)c(CN2CCC[C@@H](F)C2)c1 ZINC001182756155 810123343 /nfs/dbraw/zinc/12/33/43/810123343.db2.gz WZTPFDCFXZHQJB-CQSZACIVSA-N 0 1 251.345 3.450 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(c2ccon2)CC1 ZINC001182970771 810133803 /nfs/dbraw/zinc/13/38/03/810133803.db2.gz RIWAEOGPYPVHAK-UHFFFAOYSA-N 0 1 292.766 3.413 20 10 CGCDMN Oc1cc(Cl)ccc1CNCc1nc2ccccc2o1 ZINC001183910063 810168077 /nfs/dbraw/zinc/16/80/77/810168077.db2.gz TXLUGWUHXAIDNA-UHFFFAOYSA-N 0 1 288.734 3.477 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001184250161 810185376 /nfs/dbraw/zinc/18/53/76/810185376.db2.gz CRHPCAWSWPJJIN-ZWKOPEQDSA-N 0 1 296.208 3.433 20 10 CGCDMN COc1ccc2c(c1)nccc2Nc1cccc(O)c1O ZINC001203525723 812385705 /nfs/dbraw/zinc/38/57/05/812385705.db2.gz CSXYGXLXBGYZMV-UHFFFAOYSA-N 0 1 282.299 3.398 20 10 CGCDMN Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)c1 ZINC001203560834 812392318 /nfs/dbraw/zinc/39/23/18/812392318.db2.gz HICLQSKQBYVQFS-INIZCTEOSA-N 0 1 298.386 3.139 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCC[C@H](O)C1 ZINC001203574282 812396923 /nfs/dbraw/zinc/39/69/23/812396923.db2.gz SLNWEBVJWSDXOO-NSHDSACASA-N 0 1 290.190 3.046 20 10 CGCDMN CCN(Cc1cccs1)Cc1cc(O)c(O)c(OC)c1 ZINC001204348623 812618278 /nfs/dbraw/zinc/61/82/78/812618278.db2.gz FQZOBDHPJQELCC-UHFFFAOYSA-N 0 1 293.388 3.190 20 10 CGCDMN CO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])C12CCC2 ZINC001205822014 813097215 /nfs/dbraw/zinc/09/72/15/813097215.db2.gz LCEMMFUOBOHUIO-KBPBESRZSA-N 0 1 297.345 3.060 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001207167222 813502449 /nfs/dbraw/zinc/50/24/49/813502449.db2.gz KLWFOMYRCVGVSZ-TXEJJXNPSA-N 0 1 263.768 3.444 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001207167222 813502454 /nfs/dbraw/zinc/50/24/54/813502454.db2.gz KLWFOMYRCVGVSZ-TXEJJXNPSA-N 0 1 263.768 3.444 20 10 CGCDMN C[C@@]12CSC[C@@H]1C[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001207738636 813642345 /nfs/dbraw/zinc/64/23/45/813642345.db2.gz GTMNRWWKPZQTSW-SMDDNHRTSA-N 0 1 283.824 3.231 20 10 CGCDMN Cc1ccc(CC[N@H+](C)Cc2cc(C(=O)[O-])ccc2O)cc1 ZINC001231565454 818124463 /nfs/dbraw/zinc/12/44/63/818124463.db2.gz XIASWQIFJFIOBH-UHFFFAOYSA-N 0 1 299.370 3.073 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC3(CC3)C2)cc1Cl ZINC001231868530 818191776 /nfs/dbraw/zinc/19/17/76/818191776.db2.gz VQCOLAKXZQUKLL-UHFFFAOYSA-N 0 1 251.757 3.340 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC3(CC3)C2)cc1Cl ZINC001231868530 818191781 /nfs/dbraw/zinc/19/17/81/818191781.db2.gz VQCOLAKXZQUKLL-UHFFFAOYSA-N 0 1 251.757 3.340 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1Cl ZINC001231868825 818193134 /nfs/dbraw/zinc/19/31/34/818193134.db2.gz ZBCZDJTXSLNATM-MLGOLLRUSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1Cl ZINC001231868825 818193135 /nfs/dbraw/zinc/19/31/35/818193135.db2.gz ZBCZDJTXSLNATM-MLGOLLRUSA-N 0 1 295.810 3.355 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCC[C@H]1O ZINC001231879466 818199156 /nfs/dbraw/zinc/19/91/56/818199156.db2.gz DFOBDEGHGVBPCJ-CXAGYDPISA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCC[C@H]1O ZINC001231879466 818199160 /nfs/dbraw/zinc/19/91/60/818199160.db2.gz DFOBDEGHGVBPCJ-CXAGYDPISA-N 0 1 285.387 3.138 20 10 CGCDMN Oc1c(Cl)cccc1CN1CC[C@H](CF)C(F)(F)C1 ZINC001231910159 818209138 /nfs/dbraw/zinc/20/91/38/818209138.db2.gz WZQHDCVAYJLQRP-SNVBAGLBSA-N 0 1 293.716 3.472 20 10 CGCDMN COc1cc(O)c(C[N@@H+](C)CC2CCC2)cc1Cl ZINC001232265445 818297434 /nfs/dbraw/zinc/29/74/34/818297434.db2.gz WMLBCLLLXOECIZ-UHFFFAOYSA-N 0 1 269.772 3.286 20 10 CGCDMN COc1cc([O-])c(C[N@H+](C)CC2CCC2)cc1Cl ZINC001232265445 818297440 /nfs/dbraw/zinc/29/74/40/818297440.db2.gz WMLBCLLLXOECIZ-UHFFFAOYSA-N 0 1 269.772 3.286 20 10 CGCDMN COc1cc([O-])c(C[N@@H+](C)CC2CCC2)cc1Cl ZINC001232265445 818297443 /nfs/dbraw/zinc/29/74/43/818297443.db2.gz WMLBCLLLXOECIZ-UHFFFAOYSA-N 0 1 269.772 3.286 20 10 CGCDMN COc1cc([O-])c(C[NH+]2CCC(C)(OC)CC2)cc1Cl ZINC001232266963 818297922 /nfs/dbraw/zinc/29/79/22/818297922.db2.gz TZJNNHHJHBCNLQ-UHFFFAOYSA-N 0 1 299.798 3.055 20 10 CGCDMN CC[N@H+](Cc1ccccc1O)Cc1ccc(OC)nc1C ZINC001232335675 818319638 /nfs/dbraw/zinc/31/96/38/818319638.db2.gz BIXODNUZTALKAG-UHFFFAOYSA-N 0 1 286.375 3.126 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)ccc(F)c1F ZINC001233076698 818517183 /nfs/dbraw/zinc/51/71/83/818517183.db2.gz TWFZHKLOEJGQRA-GHMZBOCLSA-N 0 1 267.319 3.292 20 10 CGCDMN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233077101 818519205 /nfs/dbraw/zinc/51/92/05/818519205.db2.gz DKVKJXMVBBOOBM-LBPRGKRZSA-N 0 1 285.334 3.060 20 10 CGCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001233334284 818585415 /nfs/dbraw/zinc/58/54/15/818585415.db2.gz ANALTIHAEKXZNB-NSHDSACASA-N 0 1 290.313 3.055 20 10 CGCDMN C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2O)[C@H](C)CO1 ZINC001235681000 819139454 /nfs/dbraw/zinc/13/94/54/819139454.db2.gz WNZQPPYDVDCTIQ-CHWSQXEVSA-N 0 1 277.408 3.299 20 10 CGCDMN CC(C)(C)c1ccc(CN(C2CC2)C2COC2)c(O)c1 ZINC001235680598 819140196 /nfs/dbraw/zinc/14/01/96/819140196.db2.gz WFNBLYCAAIKTMV-UHFFFAOYSA-N 0 1 275.392 3.053 20 10 CGCDMN CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236799619 819600510 /nfs/dbraw/zinc/60/05/10/819600510.db2.gz QDHIFBOPVDZLAB-SNVBAGLBSA-N 0 1 290.190 3.310 20 10 CGCDMN CC(C)c1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c(O)c1 ZINC001237049500 819651756 /nfs/dbraw/zinc/65/17/56/819651756.db2.gz QCSHVFJODNBRCC-MRXNPFEDSA-N 0 1 277.408 3.251 20 10 CGCDMN CN(Cc1ccccn1)Cc1cc(C(F)(F)F)ccc1O ZINC001237138249 819674607 /nfs/dbraw/zinc/67/46/07/819674607.db2.gz WFKNIRMXNMIJIR-UHFFFAOYSA-N 0 1 296.292 3.438 20 10 CGCDMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237616838 819787315 /nfs/dbraw/zinc/78/73/15/819787315.db2.gz IDCJUACXYKSSLO-KWQFWETISA-N 0 1 275.726 3.365 20 10 CGCDMN CCCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237620779 819788786 /nfs/dbraw/zinc/78/87/86/819788786.db2.gz PZYVIEWQLIRZII-LBPRGKRZSA-N 0 1 287.762 3.186 20 10 CGCDMN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCO3)C2)c1O ZINC001237684614 819805799 /nfs/dbraw/zinc/80/57/99/819805799.db2.gz BBALPHKDHBUYDS-OAHLLOKOSA-N 0 1 281.783 3.109 20 10 CGCDMN Oc1c(Cl)cc(F)cc1CN1Cc2ncsc2C1 ZINC001237805273 819848647 /nfs/dbraw/zinc/84/86/47/819848647.db2.gz KWNUOGMQGSCRKW-UHFFFAOYSA-N 0 1 284.743 3.157 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237949415 819892655 /nfs/dbraw/zinc/89/26/55/819892655.db2.gz LKKRHESCKPYSKN-NSHDSACASA-N 0 1 287.762 3.186 20 10 CGCDMN Cc1cc(F)cc(CN2CC[C@@H](C)[C@H](F)C2)c1O ZINC001238057876 819921489 /nfs/dbraw/zinc/92/14/89/819921489.db2.gz PGIHUUGOTFLSEX-NOZJJQNGSA-N 0 1 255.308 3.020 20 10 CGCDMN COc1cc(C)c(C[N@@H+](CC(C)C)C2CC2)c(O)c1 ZINC001474331391 937851908 /nfs/dbraw/zinc/85/19/08/937851908.db2.gz FAGGMSJIKNAELL-UHFFFAOYSA-N 0 1 263.381 3.330 20 10 CGCDMN CC1(C)C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000160481431 927440316 /nfs/dbraw/zinc/44/03/16/927440316.db2.gz BQJVYGAJAAIVEV-GFCCVEGCSA-N 0 1 269.772 3.093 20 10 CGCDMN CCCc1ncc(C[NH2+]Cc2ccc(Cl)cc2[O-])o1 ZINC001462235068 937626696 /nfs/dbraw/zinc/62/66/96/937626696.db2.gz NJUYANXHJDKEBO-UHFFFAOYSA-N 0 1 280.755 3.276 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001462362691 937635731 /nfs/dbraw/zinc/63/57/31/937635731.db2.gz CFYDJBDIPWDPGW-NEPJUHHUSA-N 0 1 257.736 3.416 20 10 CGCDMN C[C@H]1CCSCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001308689650 933158859 /nfs/dbraw/zinc/15/88/59/933158859.db2.gz VRIAZCYYKYRFAJ-JTQLQIEISA-N 0 1 271.813 3.373 20 10 CGCDMN C[C@H]1CCSCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001308689650 933158862 /nfs/dbraw/zinc/15/88/62/933158862.db2.gz VRIAZCYYKYRFAJ-JTQLQIEISA-N 0 1 271.813 3.373 20 10 CGCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC1(O)CCCCCC1 ZINC001308705498 933161330 /nfs/dbraw/zinc/16/13/30/933161330.db2.gz OJQBHMGVDWSAHK-UHFFFAOYSA-N 0 1 299.361 3.188 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CC2(CC2(F)F)C1 ZINC001327794061 935084902 /nfs/dbraw/zinc/08/49/02/935084902.db2.gz WMPKTLQIWNJABZ-UHFFFAOYSA-N 0 1 273.710 3.323 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc1Cl ZINC001327824394 935086901 /nfs/dbraw/zinc/08/69/01/935086901.db2.gz OCLFJKPDYKRUBL-BETUJISGSA-N 0 1 283.799 3.400 20 10 CGCDMN C[C@H]1N(Cc2ccc(N3CCCC3)cc2)CCOC1(C)C ZINC001337041743 936234027 /nfs/dbraw/zinc/23/40/27/936234027.db2.gz BMPPOYPCFOWCTP-OAHLLOKOSA-N 0 1 288.435 3.286 20 10 CGCDMN CCCC[N@H+](CCCC(=O)OCC)Cc1ccccc1[O-] ZINC001559790009 938235842 /nfs/dbraw/zinc/23/58/42/938235842.db2.gz FONRSALHHGGCRW-UHFFFAOYSA-N 0 1 293.407 3.338 20 10 CGCDMN CCCC[N@@H+](CCCC(=O)OCC)Cc1ccccc1[O-] ZINC001559790009 938235843 /nfs/dbraw/zinc/23/58/43/938235843.db2.gz FONRSALHHGGCRW-UHFFFAOYSA-N 0 1 293.407 3.338 20 10 CGCDMN CCOc1ccc(CN(C)Cc2ccc(N(C)C)cc2)o1 ZINC001560627206 938267109 /nfs/dbraw/zinc/26/71/09/938267109.db2.gz SKVFWVCSDYBLNH-UHFFFAOYSA-N 0 1 288.391 3.376 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C[C@H]1O ZINC001560720160 938272295 /nfs/dbraw/zinc/27/22/95/938272295.db2.gz LLXHEMNKFJLHHC-UKRRQHHQSA-N 0 1 297.826 3.275 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@H]1O ZINC001560720160 938272296 /nfs/dbraw/zinc/27/22/96/938272296.db2.gz LLXHEMNKFJLHHC-UKRRQHHQSA-N 0 1 297.826 3.275 20 10 CGCDMN CC[C@@]1(C)CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC001560761179 938274192 /nfs/dbraw/zinc/27/41/92/938274192.db2.gz BJFBHGFWXQORJW-MJRGOJFPSA-N 0 1 288.435 3.267 20 10 CGCDMN CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001560802536 938276633 /nfs/dbraw/zinc/27/66/33/938276633.db2.gz XJFVYGMWGQFBTG-INIZCTEOSA-N 0 1 299.361 3.043 20 10 CGCDMN Nc1c(F)cccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001560913095 938283653 /nfs/dbraw/zinc/28/36/53/938283653.db2.gz HZDCZHKISGXSQE-UHFFFAOYSA-N 0 1 280.730 3.057 20 10 CGCDMN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1O ZINC001603248597 972413724 /nfs/dbraw/zinc/41/37/24/972413724.db2.gz JDQDVMNUXDYXOP-SNVBAGLBSA-N 0 1 289.306 3.080 20 10 CGCDMN CC(C)[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCOC1 ZINC000293857163 372503115 /nfs/dbraw/zinc/50/31/15/372503115.db2.gz ICIOTILCDUFOTL-NSHDSACASA-N 0 1 287.762 3.184 20 10 CGCDMN CCc1nnc(CN[C@@H](C)c2c(C)cc(C)cc2O)s1 ZINC000294529515 372658452 /nfs/dbraw/zinc/65/84/52/372658452.db2.gz ZTVLJEHUTXRNIC-NSHDSACASA-N 0 1 291.420 3.274 20 10 CGCDMN C[C@H]([NH2+][C@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000169520494 372629753 /nfs/dbraw/zinc/62/97/53/372629753.db2.gz AOCYTOVTKNCQLT-XHDPSFHLSA-N 0 1 291.778 3.430 20 10 CGCDMN CC[NH+](CC)C[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000180486719 374014512 /nfs/dbraw/zinc/01/45/12/374014512.db2.gz WMVDWTAZAHPVQT-CYBMUJFWSA-N 0 1 296.842 3.209 20 10 CGCDMN CC[C@@](C)(NCc1cc(OC)ccc1O)c1nccs1 ZINC000182371731 374266210 /nfs/dbraw/zinc/26/62/10/374266210.db2.gz MQHNDAHPEZEWCU-OAHLLOKOSA-N 0 1 292.404 3.272 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000184855018 374564270 /nfs/dbraw/zinc/56/42/70/374564270.db2.gz OPOGNFCHJOVNBU-BDJLRTHQSA-N 0 1 291.778 3.430 20 10 CGCDMN C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000269795159 378267243 /nfs/dbraw/zinc/26/72/43/378267243.db2.gz BFMBOQOFVDHSKY-DZGCQCFKSA-N 0 1 285.387 3.281 20 10 CGCDMN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000269795159 378267249 /nfs/dbraw/zinc/26/72/49/378267249.db2.gz BFMBOQOFVDHSKY-DZGCQCFKSA-N 0 1 285.387 3.281 20 10 CGCDMN CC[C@@H](NCc1csc(COC)n1)c1ccccc1O ZINC000271663550 378501277 /nfs/dbraw/zinc/50/12/77/378501277.db2.gz DTQSENYMAFANRD-CYBMUJFWSA-N 0 1 292.404 3.236 20 10 CGCDMN C[C@H](c1cccnc1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000273379570 378743642 /nfs/dbraw/zinc/74/36/42/378743642.db2.gz HKJSGVVQOKNOAE-CYBMUJFWSA-N 0 1 287.382 3.480 20 10 CGCDMN Cc1ccc([C@H](C)N[C@H](C)c2nnc(C(C)C)[nH]2)c(O)c1 ZINC000273510339 378750446 /nfs/dbraw/zinc/75/04/46/378750446.db2.gz RQDRPAFSKFWCLY-NWDGAFQWSA-N 0 1 288.395 3.354 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000273831453 378760493 /nfs/dbraw/zinc/76/04/93/378760493.db2.gz PUYIMDBRZPBXDW-LBPRGKRZSA-N 0 1 283.799 3.485 20 10 CGCDMN C[C@@]1([NH2+]Cc2cc(Cl)ccc2[O-])CCO[C@@H]1C1CC1 ZINC000371746906 379174311 /nfs/dbraw/zinc/17/43/11/379174311.db2.gz MXWVQHCCBRTHGU-HUUCEWRRSA-N 0 1 281.783 3.093 20 10 CGCDMN Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000373179471 379235588 /nfs/dbraw/zinc/23/55/88/379235588.db2.gz ZTJIIKWIPSTQAR-GOSISDBHSA-N 0 1 298.434 3.132 20 10 CGCDMN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000373178278 379235713 /nfs/dbraw/zinc/23/57/13/379235713.db2.gz SVBVAZKSIJZRKS-INIZCTEOSA-N 0 1 285.391 3.080 20 10 CGCDMN CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1O ZINC000373521519 379291744 /nfs/dbraw/zinc/29/17/44/379291744.db2.gz KUGDZTVSLOWXGH-DQPZFDDXSA-N 0 1 288.435 3.450 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375320202 379491046 /nfs/dbraw/zinc/49/10/46/379491046.db2.gz MUHUCIPWNLEIET-ZFWWWQNUSA-N 0 1 281.783 3.189 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375320202 379491055 /nfs/dbraw/zinc/49/10/55/379491055.db2.gz MUHUCIPWNLEIET-ZFWWWQNUSA-N 0 1 281.783 3.189 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000375317299 379491172 /nfs/dbraw/zinc/49/11/72/379491172.db2.gz GNGLWSXYSVDFOL-UHFFFAOYSA-N 0 1 295.810 3.438 20 10 CGCDMN C[C@H]([NH2+]CCC1(O)CCC1)c1cc(Cl)ccc1[O-] ZINC000284269090 380136733 /nfs/dbraw/zinc/13/67/33/380136733.db2.gz GTWZGACSQTWLBE-JTQLQIEISA-N 0 1 269.772 3.001 20 10 CGCDMN C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cc(F)ccc1[O-] ZINC000364151706 382262927 /nfs/dbraw/zinc/26/29/27/382262927.db2.gz UWIZLNMWVAEMGE-YMRXKLBXSA-N 0 1 293.382 3.387 20 10 CGCDMN CC(C)CO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180723316 392712093 /nfs/dbraw/zinc/71/20/93/392712093.db2.gz YTHKORSOMFNMOP-CYBMUJFWSA-N 0 1 283.799 3.293 20 10 CGCDMN Cc1csc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000038091030 174104612 /nfs/dbraw/zinc/10/46/12/174104612.db2.gz UNXRBPXMQGKLJG-GFCCVEGCSA-N 0 1 275.421 3.368 20 10 CGCDMN COc1ccccc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000037362734 260094935 /nfs/dbraw/zinc/09/49/35/260094935.db2.gz COCLVDQTLGTFQC-CYBMUJFWSA-N 0 1 283.371 3.481 20 10 CGCDMN C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc2ccccc2c1[O-] ZINC000128093384 260371675 /nfs/dbraw/zinc/37/16/75/260371675.db2.gz 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293.407 3.038 20 10 CGCDMN CCc1cccc(CN2Cc3cccc(OC)c3C2)c1O ZINC000862529890 629391965 /nfs/dbraw/zinc/39/19/65/629391965.db2.gz QYSPIHBQNJEIGU-UHFFFAOYSA-N 0 1 283.371 3.479 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCCC[C@H]1CCO ZINC000793609656 629490110 /nfs/dbraw/zinc/49/01/10/629490110.db2.gz QTSWBMBZKISBHK-AWEZNQCLSA-N 0 1 283.799 3.173 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000793609656 629490114 /nfs/dbraw/zinc/49/01/14/629490114.db2.gz QTSWBMBZKISBHK-AWEZNQCLSA-N 0 1 283.799 3.173 20 10 CGCDMN CN(C)c1ccc(CNCc2ccnn2CC2CCC2)cc1 ZINC000865405131 630106016 /nfs/dbraw/zinc/10/60/16/630106016.db2.gz XDGWONCWIVESIK-UHFFFAOYSA-N 0 1 298.434 3.039 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798962955 630129236 /nfs/dbraw/zinc/12/92/36/630129236.db2.gz UJWGRCNRLPQKCR-GFCCVEGCSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798962955 630129241 /nfs/dbraw/zinc/12/92/41/630129241.db2.gz UJWGRCNRLPQKCR-GFCCVEGCSA-N 0 1 288.778 3.430 20 10 CGCDMN CSCCC[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000798963918 630131127 /nfs/dbraw/zinc/13/11/27/630131127.db2.gz KYPVOIIELJUPLZ-UHFFFAOYSA-N 0 1 259.802 3.231 20 10 CGCDMN CSCCC[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000798963918 630131131 /nfs/dbraw/zinc/13/11/31/630131131.db2.gz KYPVOIIELJUPLZ-UHFFFAOYSA-N 0 1 259.802 3.231 20 10 CGCDMN CSCCC[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000799161128 630151377 /nfs/dbraw/zinc/15/13/77/630151377.db2.gz PFOCMQBVQFFUAM-UHFFFAOYSA-N 0 1 276.405 3.125 20 10 CGCDMN CSCCC[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000799161128 630151378 /nfs/dbraw/zinc/15/13/78/630151378.db2.gz PFOCMQBVQFFUAM-UHFFFAOYSA-N 0 1 276.405 3.125 20 10 CGCDMN CCC(CC)(CCO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000800894893 630309916 /nfs/dbraw/zinc/30/99/16/630309916.db2.gz PMMUEVMJJFIUAS-UHFFFAOYSA-N 0 1 271.788 3.076 20 10 CGCDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000876514538 634849572 /nfs/dbraw/zinc/84/95/72/634849572.db2.gz XTDHYDKQAINMEM-ZDUSSCGKSA-N 0 1 278.302 3.336 20 10 CGCDMN Cc1cc(CN2CCOC(C)(C)[C@@H]2C)ccc1N(C)C ZINC000815062304 631710229 /nfs/dbraw/zinc/71/02/29/631710229.db2.gz IGQJMMMAUQCLQT-AWEZNQCLSA-N 0 1 276.424 3.060 20 10 CGCDMN CCc1noc(C)c1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000815145696 631729975 /nfs/dbraw/zinc/72/99/75/631729975.db2.gz CALBNLGNKKQLSN-UHFFFAOYSA-N 0 1 280.755 3.194 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000815150515 631732053 /nfs/dbraw/zinc/73/20/53/631732053.db2.gz HJNQEZWSSSCGFX-AWEZNQCLSA-N 0 1 297.826 3.324 20 10 CGCDMN C[C@@H]([NH2+]CCCN(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815553089 631793827 /nfs/dbraw/zinc/79/38/27/631793827.db2.gz RHQDXRWBAKMFLD-SNVBAGLBSA-N 0 1 290.329 3.013 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCOCC12CCCC2 ZINC000816518735 632002731 /nfs/dbraw/zinc/00/27/31/632002731.db2.gz MDCBEQBRXBKISN-UHFFFAOYSA-N 0 1 299.773 3.330 20 10 CGCDMN [O-]c1c(C[NH2+]CCc2ccccn2)ccc2ccccc21 ZINC000816528533 632004792 /nfs/dbraw/zinc/00/47/92/632004792.db2.gz HGVHNPQLOKXDJC-UHFFFAOYSA-N 0 1 278.355 3.273 20 10 CGCDMN CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548712 632007521 /nfs/dbraw/zinc/00/75/21/632007521.db2.gz QBJIJHYIEFOFHS-MLGOLLRUSA-N 0 1 273.376 3.042 20 10 CGCDMN C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816557454 632011890 /nfs/dbraw/zinc/01/18/90/632011890.db2.gz QNNVUIPICHMEHF-UGSOOPFHSA-N 0 1 296.414 3.118 20 10 CGCDMN C[C@@H]1C[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816560740 632012779 /nfs/dbraw/zinc/01/27/79/632012779.db2.gz YSLOARXUCXOGRI-KGLIPLIRSA-N 0 1 285.387 3.450 20 10 CGCDMN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816560657 632013228 /nfs/dbraw/zinc/01/32/28/632013228.db2.gz WRNTUCUEUCLYAB-RHSMWYFYSA-N 0 1 285.387 3.450 20 10 CGCDMN CC(C)OCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816569204 632014704 /nfs/dbraw/zinc/01/47/04/632014704.db2.gz CITNLNHDENWADA-UHFFFAOYSA-N 0 1 259.349 3.060 20 10 CGCDMN Cc1cc(Br)cc(CN2C[C@@H](C)[C@H]2C)c1O ZINC000816649142 632037470 /nfs/dbraw/zinc/03/74/70/632037470.db2.gz UXEJVHGBRYHYJZ-NXEZZACHSA-N 0 1 284.197 3.303 20 10 CGCDMN C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816660521 632039296 /nfs/dbraw/zinc/03/92/96/632039296.db2.gz HJIDZAKLYHEUHC-FZKQIMNGSA-N 0 1 285.387 3.186 20 10 CGCDMN CC(=O)c1cc(F)cc(CN2CCC(CCF)CC2)c1O ZINC000879207846 635725969 /nfs/dbraw/zinc/72/59/69/635725969.db2.gz MVESFIJYCDAUNB-UHFFFAOYSA-N 0 1 297.345 3.306 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC(CCF)CC2)c1[O-] ZINC000879207846 635725973 /nfs/dbraw/zinc/72/59/73/635725973.db2.gz MVESFIJYCDAUNB-UHFFFAOYSA-N 0 1 297.345 3.306 20 10 CGCDMN CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817958397 632252971 /nfs/dbraw/zinc/25/29/71/632252971.db2.gz JHJVPYHJBDFQNO-KCJUWKMLSA-N 0 1 291.222 3.333 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000865777689 632887106 /nfs/dbraw/zinc/88/71/06/632887106.db2.gz AKSAYXWMLWCNIN-LBPRGKRZSA-N 0 1 295.810 3.342 20 10 CGCDMN COC[C@]1(C)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000824583188 633261995 /nfs/dbraw/zinc/26/19/95/633261995.db2.gz IXGVOMLWRZHPRZ-GOSISDBHSA-N 0 1 285.387 3.404 20 10 CGCDMN COC[C@]1(C)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000824583188 633261998 /nfs/dbraw/zinc/26/19/98/633261998.db2.gz IXGVOMLWRZHPRZ-GOSISDBHSA-N 0 1 285.387 3.404 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650089 633267511 /nfs/dbraw/zinc/26/75/11/633267511.db2.gz HZWIMSONOTYXCD-NSHDSACASA-N 0 1 255.720 3.169 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000824751369 633283326 /nfs/dbraw/zinc/28/33/26/633283326.db2.gz UUJLACCCMHLNLM-GFCCVEGCSA-N 0 1 295.810 3.485 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@@H]1C ZINC000824815449 633294756 /nfs/dbraw/zinc/29/47/56/633294756.db2.gz PHADIHVQVBZQIB-ZANVPECISA-N 0 1 287.762 3.042 20 10 CGCDMN CCn1cc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000825130074 633331779 /nfs/dbraw/zinc/33/17/79/633331779.db2.gz LREQCSBTILDJAW-JTQLQIEISA-N 0 1 279.771 3.113 20 10 CGCDMN COC[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000825321726 633344875 /nfs/dbraw/zinc/34/48/75/633344875.db2.gz MGJLNRPQNHZNFA-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000825321726 633344878 /nfs/dbraw/zinc/34/48/78/633344878.db2.gz MGJLNRPQNHZNFA-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000825321726 633344882 /nfs/dbraw/zinc/34/48/82/633344882.db2.gz MGJLNRPQNHZNFA-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825316578 633344975 /nfs/dbraw/zinc/34/49/75/633344975.db2.gz XFNSESVHHYLRGA-GXFFZTMASA-N 0 1 285.815 3.241 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC=CO2)cc1Cl ZINC000825622470 633368798 /nfs/dbraw/zinc/36/87/98/633368798.db2.gz VPFQOWZDALIROB-GFCCVEGCSA-N 0 1 267.756 3.136 20 10 CGCDMN CCC[C@]1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCOC1 ZINC000825886423 633386370 /nfs/dbraw/zinc/38/63/70/633386370.db2.gz OVPPPTYHWUYJIG-HNNXBMFYSA-N 0 1 283.799 3.403 20 10 CGCDMN Cc1ncsc1CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826054584 633400471 /nfs/dbraw/zinc/40/04/71/633400471.db2.gz YVGIXRHFGXCIHV-UHFFFAOYSA-N 0 1 296.823 3.451 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCC[C@@H]2CCOC2)cc1Cl ZINC000826096721 633405313 /nfs/dbraw/zinc/40/53/13/633405313.db2.gz ASZSEEYBXUXBJA-GFCCVEGCSA-N 0 1 283.799 3.260 20 10 CGCDMN Oc1cccc(Cl)c1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826538679 633412725 /nfs/dbraw/zinc/41/27/25/633412725.db2.gz IDQHZVTUDJZLCJ-GWCFXTLKSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826538679 633412728 /nfs/dbraw/zinc/41/27/28/633412728.db2.gz IDQHZVTUDJZLCJ-GWCFXTLKSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826538679 633412731 /nfs/dbraw/zinc/41/27/31/633412731.db2.gz IDQHZVTUDJZLCJ-GWCFXTLKSA-N 0 1 251.757 3.420 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000827370972 633485765 /nfs/dbraw/zinc/48/57/65/633485765.db2.gz NJNIALIGPZQMMK-NEPJUHHUSA-N 0 1 283.799 3.353 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000827370972 633485768 /nfs/dbraw/zinc/48/57/68/633485768.db2.gz NJNIALIGPZQMMK-NEPJUHHUSA-N 0 1 283.799 3.353 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506495 633495253 /nfs/dbraw/zinc/49/52/53/633495253.db2.gz HRVZVPLGOSBJJY-IUCAKERBSA-N 0 1 255.720 3.027 20 10 CGCDMN CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000846183315 636154606 /nfs/dbraw/zinc/15/46/06/636154606.db2.gz HJANHTOCVPKTDH-COPLHBTASA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@@H](N[C@@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834830643 634250821 /nfs/dbraw/zinc/25/08/21/634250821.db2.gz FZZPUMRHCLPGFH-BXKDBHETSA-N 0 1 277.755 3.038 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)N[C@H]2CCn3ccnc32)c1O ZINC000834832416 634251532 /nfs/dbraw/zinc/25/15/32/634251532.db2.gz OZBJGSUDKXSBMQ-GWCFXTLKSA-N 0 1 291.782 3.346 20 10 CGCDMN Cc1cc(O)c(CNCc2ncc(Cl)s2)cc1C ZINC000873164834 634268038 /nfs/dbraw/zinc/26/80/38/634268038.db2.gz DUZRCYJZKATQAE-UHFFFAOYSA-N 0 1 282.796 3.409 20 10 CGCDMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1cc(F)ccc1O ZINC000834892689 634271425 /nfs/dbraw/zinc/27/14/25/634271425.db2.gz CMKRGFBWDPNQGO-WDEREUQCSA-N 0 1 277.343 3.160 20 10 CGCDMN CCc1ncc(CN[C@@H](C)c2cc(C)ccc2O)o1 ZINC000834898312 634274504 /nfs/dbraw/zinc/27/45/04/634274504.db2.gz BWYFDSMXKDWFNQ-NSHDSACASA-N 0 1 260.337 3.102 20 10 CGCDMN [NH3+][C@@H]1C[C@H]1c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000873214576 634286205 /nfs/dbraw/zinc/28/62/05/634286205.db2.gz HRYIWTWQYSSORD-DZGCQCFKSA-N 0 1 288.778 3.472 20 10 CGCDMN C[C@H]1CC[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])O1 ZINC000835087996 634350825 /nfs/dbraw/zinc/35/08/25/634350825.db2.gz SGKGZWLURHQHPB-SWLSCSKDSA-N 0 1 271.360 3.203 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2c(C)cccc2O)CCS1 ZINC000876747716 634892099 /nfs/dbraw/zinc/89/20/99/634892099.db2.gz KUZMVNBNVBGNPT-GFCCVEGCSA-N 0 1 251.395 3.028 20 10 CGCDMN Cc1csc([C@H](C)NCc2ccc(C)cc2O)n1 ZINC000877002641 634947358 /nfs/dbraw/zinc/94/73/58/634947358.db2.gz BAQYLRUOZPASQJ-NSHDSACASA-N 0 1 262.378 3.316 20 10 CGCDMN CC(C)(C)n1cc(NCc2ccc(F)c(F)c2O)cn1 ZINC000877122035 634990450 /nfs/dbraw/zinc/99/04/50/634990450.db2.gz FYCJTAJHFICZNY-UHFFFAOYSA-N 0 1 281.306 3.234 20 10 CGCDMN Cc1ccc([C@@H](C)N[C@H](C)c2ccn(C)n2)c(O)c1C ZINC000840816727 635057861 /nfs/dbraw/zinc/05/78/61/635057861.db2.gz OWFAINAKSXLVDU-CHWSQXEVSA-N 0 1 273.380 3.154 20 10 CGCDMN Cc1ccncc1C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877490898 635058470 /nfs/dbraw/zinc/05/84/70/635058470.db2.gz AHHSDEPKUKEBOH-UHFFFAOYSA-N 0 1 278.302 3.006 20 10 CGCDMN COCC[C@H](C)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000840835738 635061037 /nfs/dbraw/zinc/06/10/37/635061037.db2.gz PDZOFLICKUYBID-LOWVWBTDSA-N 0 1 281.371 3.342 20 10 CGCDMN CCn1ccc(CN[C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000840840162 635062536 /nfs/dbraw/zinc/06/25/36/635062536.db2.gz GNSMIUFAXYMSGA-CYBMUJFWSA-N 0 1 299.418 3.338 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@@H](O)C(C)C ZINC000840882122 635073304 /nfs/dbraw/zinc/07/33/04/635073304.db2.gz MKWAMVRJFRQNTP-DGFSRKRXSA-N 0 1 285.815 3.492 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2C3CCC2CC3)c(Cl)c1 ZINC000840909580 635077984 /nfs/dbraw/zinc/07/79/84/635077984.db2.gz JILDZGRFACTDPX-UHFFFAOYSA-N 0 1 251.757 3.481 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCC(C)(C)CO)c(Cl)c1 ZINC000840898259 635078009 /nfs/dbraw/zinc/07/80/09/635078009.db2.gz CFCKNDBATHUNQQ-UHFFFAOYSA-N 0 1 285.815 3.242 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2CCC(C)(O)CC2)c(Cl)c1 ZINC000840903811 635079067 /nfs/dbraw/zinc/07/90/67/635079067.db2.gz QFBXFABZZPEBAR-UHFFFAOYSA-N 0 1 283.799 3.137 20 10 CGCDMN CC[N@@H+](Cc1c([O-])cc(C)cc1Cl)C[C@@H]1CCOC1 ZINC000840909446 635080428 /nfs/dbraw/zinc/08/04/28/635080428.db2.gz CAWIGKXCZUNKQL-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN CC[N@H+](Cc1c([O-])cc(C)cc1Cl)C[C@@H]1CCOC1 ZINC000840909446 635080434 /nfs/dbraw/zinc/08/04/34/635080434.db2.gz CAWIGKXCZUNKQL-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN1CCc2ncsc2C1 ZINC000840940302 635086955 /nfs/dbraw/zinc/08/69/55/635086955.db2.gz WYZBZNDTAUNGFT-UHFFFAOYSA-N 0 1 287.432 3.076 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCOC[C@H]2C)c(Cl)c1 ZINC000840946977 635089054 /nfs/dbraw/zinc/08/90/54/635089054.db2.gz IUIRMNCEKUODQO-NEPJUHHUSA-N 0 1 283.799 3.116 20 10 CGCDMN CCc1noc(C)c1CNCc1ccc(N(C)C)cc1C ZINC000840948211 635089550 /nfs/dbraw/zinc/08/95/50/635089550.db2.gz CBWDKDVRAHIXJF-UHFFFAOYSA-N 0 1 287.407 3.210 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877612254 635112908 /nfs/dbraw/zinc/11/29/08/635112908.db2.gz GEINOJMGFRWIPQ-QMMMGPOBSA-N 0 1 280.582 3.329 20 10 CGCDMN CC(C)(O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877797004 635208301 /nfs/dbraw/zinc/20/83/01/635208301.db2.gz ONSUJMBWSSRLGZ-NSHDSACASA-N 0 1 283.799 3.029 20 10 CGCDMN CC(C)(O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877797004 635208304 /nfs/dbraw/zinc/20/83/04/635208304.db2.gz ONSUJMBWSSRLGZ-NSHDSACASA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(Cl)cc1[O-] ZINC000841746862 635223728 /nfs/dbraw/zinc/22/37/28/635223728.db2.gz LQPORASFCPNCAC-NSHDSACASA-N 0 1 291.778 3.389 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@H](O)C(F)F ZINC000841758970 635230960 /nfs/dbraw/zinc/23/09/60/635230960.db2.gz WIYIDZPNDJRIFV-JWYUURKGSA-N 0 1 293.741 3.101 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc2ccccc21 ZINC000843420661 635665579 /nfs/dbraw/zinc/66/55/79/635665579.db2.gz BSRNALFVSUPOKT-PBHICJAKSA-N 0 1 283.371 3.156 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc2ccccc21 ZINC000843420661 635665582 /nfs/dbraw/zinc/66/55/82/635665582.db2.gz BSRNALFVSUPOKT-PBHICJAKSA-N 0 1 283.371 3.156 20 10 CGCDMN CC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)[C@@H](C)CO1 ZINC000846044462 636138075 /nfs/dbraw/zinc/13/80/75/636138075.db2.gz QZOHCAZQZBXFLL-UWVGGRQHSA-N 0 1 287.762 3.184 20 10 CGCDMN CC[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000846054793 636139155 /nfs/dbraw/zinc/13/91/55/636139155.db2.gz GDLHRBHDWIFRJP-RISCZKNCSA-N 0 1 283.799 3.340 20 10 CGCDMN CCc1nc(C)c(CN[C@H](C)c2cccc(OC)c2O)o1 ZINC000846170453 636152908 /nfs/dbraw/zinc/15/29/08/636152908.db2.gz NZTSYOCEBKRZBU-SNVBAGLBSA-N 0 1 290.363 3.110 20 10 CGCDMN CCN(CC)c1ccc(CN[C@@H]2CCCn3ccnc32)cc1 ZINC000848521371 636586875 /nfs/dbraw/zinc/58/68/75/636586875.db2.gz NKSMDDXHBOHPGS-QGZVFWFLSA-N 0 1 298.434 3.354 20 10 CGCDMN CCc1cccc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c1O ZINC000848911195 636686198 /nfs/dbraw/zinc/68/61/98/636686198.db2.gz RKEKVKBTMHOFKR-WMLDXEAASA-N 0 1 291.435 3.470 20 10 CGCDMN CCN(CC)c1ccc(CN2CC3(CC3(F)F)C2)cc1 ZINC000848922693 636693572 /nfs/dbraw/zinc/69/35/72/636693572.db2.gz YCOCZMRWBLERPI-UHFFFAOYSA-N 0 1 280.362 3.374 20 10 CGCDMN CCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1O ZINC000133721937 636972003 /nfs/dbraw/zinc/97/20/03/636972003.db2.gz SFMRASGONVPLPZ-OLZOCXBDSA-N 0 1 263.381 3.411 20 10 CGCDMN C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(Cl)cc1[O-] ZINC000850481969 637085745 /nfs/dbraw/zinc/08/57/45/637085745.db2.gz LMDIHMMHVCLDLD-MWLCHTKSSA-N 0 1 269.772 3.264 20 10 CGCDMN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2nccn2C)cc1 ZINC000850572964 637129741 /nfs/dbraw/zinc/12/97/41/637129741.db2.gz RJOTZDLAUGGXIU-ZIAGYGMSSA-N 0 1 286.423 3.288 20 10 CGCDMN CC[C@@H](N[C@H](C)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000850572711 637129791 /nfs/dbraw/zinc/12/97/91/637129791.db2.gz OELUGQNILFOVRO-CZUORRHYSA-N 0 1 286.423 3.288 20 10 CGCDMN C[C@@H](NCc1cc(C2CC2)no1)c1ccccc1O ZINC000851896278 637534442 /nfs/dbraw/zinc/53/44/42/637534442.db2.gz HZVNXHGDTKYEFE-SNVBAGLBSA-N 0 1 258.321 3.108 20 10 CGCDMN C[C@H](NCc1cc(C2CC2)no1)c1cc(F)ccc1O ZINC000886684575 637650115 /nfs/dbraw/zinc/65/01/15/637650115.db2.gz NVPBDFNGPQTWQG-VIFPVBQESA-N 0 1 276.311 3.248 20 10 CGCDMN C[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@H]1C ZINC000300416117 637838863 /nfs/dbraw/zinc/83/88/63/637838863.db2.gz KCBMRKRVNUINQT-SUNKGSAMSA-N 0 1 251.345 3.446 20 10 CGCDMN CC(C)(F)CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000829341060 638216299 /nfs/dbraw/zinc/21/62/99/638216299.db2.gz AVKWBKYZQGZYFJ-UHFFFAOYSA-N 0 1 290.176 3.383 20 10 CGCDMN CCCN(Cc1cn(C)nc1Cl)Cc1ccccc1O ZINC000857014191 638426012 /nfs/dbraw/zinc/42/60/12/638426012.db2.gz KOAWHQHJTWIPNQ-UHFFFAOYSA-N 0 1 293.798 3.191 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000858548081 638759378 /nfs/dbraw/zinc/75/93/78/638759378.db2.gz QVLGLPCQEFJOEZ-FMSQNYNMSA-N 0 1 281.783 3.264 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+](CC2CC2)C(C)C)c1[O-] ZINC000042587979 639917907 /nfs/dbraw/zinc/91/79/07/639917907.db2.gz WEHGCGIVLSZNJY-UHFFFAOYSA-N 0 1 279.355 3.354 20 10 CGCDMN COc1cc(Cl)cc(C[N@H+](C)C(C)(C)C)c1[O-] ZINC000382316612 799395219 /nfs/dbraw/zinc/39/52/19/799395219.db2.gz VINVBWNRNLVWLZ-UHFFFAOYSA-N 0 1 257.761 3.285 20 10 CGCDMN COc1cc(Cl)cc(C[N@@H+](C)C(C)(C)C)c1[O-] ZINC000382316612 799395225 /nfs/dbraw/zinc/39/52/25/799395225.db2.gz VINVBWNRNLVWLZ-UHFFFAOYSA-N 0 1 257.761 3.285 20 10 CGCDMN CC(F)(F)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000393453342 799487523 /nfs/dbraw/zinc/48/75/23/799487523.db2.gz YOMDVZBEJIGREV-UHFFFAOYSA-N 0 1 270.106 3.444 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C(C)(C)O ZINC000393971382 799492071 /nfs/dbraw/zinc/49/20/71/799492071.db2.gz MTSDLHLLAXUCDM-NWDGAFQWSA-N 0 1 273.376 3.355 20 10 CGCDMN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000398174306 799528307 /nfs/dbraw/zinc/52/83/07/799528307.db2.gz VKTUEILQEBEXSQ-SNVBAGLBSA-N 0 1 261.699 3.323 20 10 CGCDMN CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000403891381 799572630 /nfs/dbraw/zinc/57/26/30/799572630.db2.gz WZFOLKDVBCXFAO-OLZOCXBDSA-N 0 1 283.799 3.435 20 10 CGCDMN Cc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)sn1 ZINC000404322130 799575613 /nfs/dbraw/zinc/57/56/13/799575613.db2.gz KADOXYPFSPTEJX-LBPRGKRZSA-N 0 1 275.421 3.368 20 10 CGCDMN COc1cc(Cl)cc(CN2CCC(F)(F)CC2)c1O ZINC000404797302 799579430 /nfs/dbraw/zinc/57/94/30/799579430.db2.gz RWFSHFXBMWDHQV-UHFFFAOYSA-N 0 1 291.725 3.285 20 10 CGCDMN C[C@@H]1CCC[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)O1 ZINC000688900968 799757754 /nfs/dbraw/zinc/75/77/54/799757754.db2.gz QBVMNECRGFRJEQ-MNOVXSKESA-N 0 1 269.772 3.093 20 10 CGCDMN C[N@H+](CCOC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000690116869 799773223 /nfs/dbraw/zinc/77/32/23/799773223.db2.gz YYJRORRQYWERSD-UHFFFAOYSA-N 0 1 271.788 3.293 20 10 CGCDMN C[N@@H+](CCOC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000690116869 799773227 /nfs/dbraw/zinc/77/32/27/799773227.db2.gz YYJRORRQYWERSD-UHFFFAOYSA-N 0 1 271.788 3.293 20 10 CGCDMN CC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C1CC1 ZINC000691500516 799785146 /nfs/dbraw/zinc/78/51/46/799785146.db2.gz HSKAHFLVTANLIX-GFCCVEGCSA-N 0 1 284.197 3.433 20 10 CGCDMN C[C@H]([NH2+]CCOCCF)c1ccc2ccccc2c1[O-] ZINC000702627543 799910760 /nfs/dbraw/zinc/91/07/60/799910760.db2.gz TZSAAJHVNNGPAD-LBPRGKRZSA-N 0 1 277.339 3.182 20 10 CGCDMN Oc1c(CNc2ccc3c(c2)COC3)ccc(F)c1F ZINC000703232158 799920232 /nfs/dbraw/zinc/92/02/32/799920232.db2.gz ADJDKKMUHTZPTO-UHFFFAOYSA-N 0 1 277.270 3.313 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+]C1CCCC1 ZINC000706829222 799967184 /nfs/dbraw/zinc/96/71/84/799967184.db2.gz QMNSKYKZWMEGAL-UHFFFAOYSA-N 0 1 270.170 3.187 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CC=CCC1 ZINC000706847085 799967804 /nfs/dbraw/zinc/96/78/04/799967804.db2.gz VJCVCWSZVBOJLK-SNVBAGLBSA-N 0 1 282.181 3.353 20 10 CGCDMN CC(C)C[N@H+](C)Cc1c([O-])cccc1Br ZINC000707128909 799974260 /nfs/dbraw/zinc/97/42/60/799974260.db2.gz BUBQMWBKRXZBRT-UHFFFAOYSA-N 0 1 272.186 3.243 20 10 CGCDMN CC(C)C[N@@H+](C)Cc1c([O-])cccc1Br ZINC000707128909 799974265 /nfs/dbraw/zinc/97/42/65/799974265.db2.gz BUBQMWBKRXZBRT-UHFFFAOYSA-N 0 1 272.186 3.243 20 10 CGCDMN CC[N@@H+](CCC(F)(F)F)Cc1cc(F)cc(F)c1[O-] ZINC000708382829 799987459 /nfs/dbraw/zinc/98/74/59/799987459.db2.gz IKLHOSSUVOCANM-UHFFFAOYSA-N 0 1 283.240 3.445 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CF)C2)c1[O-] ZINC000711468491 800061063 /nfs/dbraw/zinc/06/10/63/800061063.db2.gz DWKJTTWWUSUKNT-SNVBAGLBSA-N 0 1 285.746 3.040 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](CF)C2)c1[O-] ZINC000711468491 800061071 /nfs/dbraw/zinc/06/10/71/800061071.db2.gz DWKJTTWWUSUKNT-SNVBAGLBSA-N 0 1 285.746 3.040 20 10 CGCDMN Cc1c[nH]nc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000716468075 800172228 /nfs/dbraw/zinc/17/22/28/800172228.db2.gz DIVOONITUXLABT-UHFFFAOYSA-N 0 1 286.162 3.020 20 10 CGCDMN C[N@@H+](CCCF)Cc1cc(Br)cc(F)c1[O-] ZINC000716640796 800176985 /nfs/dbraw/zinc/17/69/85/800176985.db2.gz ZZSXNUVMXSEKDO-UHFFFAOYSA-N 0 1 294.139 3.085 20 10 CGCDMN CO[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000718372955 800216065 /nfs/dbraw/zinc/21/60/65/800216065.db2.gz HLVDWCJQEQMCDZ-ZIAGYGMSSA-N 0 1 283.799 3.483 20 10 CGCDMN CO[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000718372794 800216271 /nfs/dbraw/zinc/21/62/71/800216271.db2.gz HLVDWCJQEQMCDZ-KBPBESRZSA-N 0 1 283.799 3.483 20 10 CGCDMN C[C@@H](NCc1nc2c(s1)CCC2)c1cc(F)ccc1O ZINC000719582683 800244050 /nfs/dbraw/zinc/24/40/50/800244050.db2.gz LUKFEZXEFSHATA-SECBINFHSA-N 0 1 292.379 3.327 20 10 CGCDMN CC1(C[NH2+]Cc2cc(F)ccc2[O-])CC(F)(F)C1 ZINC000720964014 800274761 /nfs/dbraw/zinc/27/47/61/800274761.db2.gz AXJFWXUHSSKAPC-UHFFFAOYSA-N 0 1 259.271 3.056 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722320317 800313250 /nfs/dbraw/zinc/31/32/50/800313250.db2.gz LOYHYUCKSYQJCX-IAQYHMDHSA-N 0 1 281.783 3.093 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CCCOC1 ZINC000723951966 800344938 /nfs/dbraw/zinc/34/49/38/800344938.db2.gz PYWPPGNAERDBLY-BXUZGUMPSA-N 0 1 283.799 3.340 20 10 CGCDMN Nc1ccc(Cc2ccccc2Nc2ccncc2)cc1 ZINC001173884629 808740369 /nfs/dbraw/zinc/74/03/69/808740369.db2.gz OFZUWVCWSQCZFR-UHFFFAOYSA-N 0 1 275.355 3.420 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001137837859 803780073 /nfs/dbraw/zinc/78/00/73/803780073.db2.gz XJSFQVJRLXHCIE-OAHLLOKOSA-N 0 1 272.323 3.263 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001138122666 803863850 /nfs/dbraw/zinc/86/38/50/803863850.db2.gz STSGHWIHXLCZKV-NXEZZACHSA-N 0 1 295.251 3.111 20 10 CGCDMN CC[N@@H+](Cc1ccncc1)Cc1ccc2c(c1)CCCN2C ZINC001138354773 803900318 /nfs/dbraw/zinc/90/03/18/803900318.db2.gz UKVJLZOFESXYSU-UHFFFAOYSA-N 0 1 295.430 3.486 20 10 CGCDMN CC[C@H]1CCC[N@H+]1Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139129030 804133531 /nfs/dbraw/zinc/13/35/31/804133531.db2.gz LHWHAPWIAWJRCT-LBPRGKRZSA-N 0 1 287.359 3.181 20 10 CGCDMN CC[N@@H+](Cc1c([O-])ccc2c(C)cc(=O)oc21)C(C)C ZINC001139126603 804133719 /nfs/dbraw/zinc/13/37/19/804133719.db2.gz LZMRDUZZTDRZMB-UHFFFAOYSA-N 0 1 275.348 3.037 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+](Cc1ccco1)C1CC1 ZINC001139686060 804254290 /nfs/dbraw/zinc/25/42/90/804254290.db2.gz LXZFBRCKNGFASL-UHFFFAOYSA-N 0 1 279.286 3.428 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@@H+](Cc1ccco1)C1CC1 ZINC001139686060 804254292 /nfs/dbraw/zinc/25/42/92/804254292.db2.gz LXZFBRCKNGFASL-UHFFFAOYSA-N 0 1 279.286 3.428 20 10 CGCDMN C[C@]1(CF)CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140337729 804418725 /nfs/dbraw/zinc/41/87/25/804418725.db2.gz BFCMKZHTZHVQQR-CYBMUJFWSA-N 0 1 257.736 3.227 20 10 CGCDMN C[C@]1(CF)CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140337729 804418727 /nfs/dbraw/zinc/41/87/27/804418727.db2.gz BFCMKZHTZHVQQR-CYBMUJFWSA-N 0 1 257.736 3.227 20 10 CGCDMN CCCOC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC001140345392 804420857 /nfs/dbraw/zinc/42/08/57/804420857.db2.gz UTSGPJIXCGBKDP-UHFFFAOYSA-N 0 1 283.799 3.437 20 10 CGCDMN Oc1cc(Cl)ccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001140461177 804441712 /nfs/dbraw/zinc/44/17/12/804441712.db2.gz GFECXEZAIRCMHI-IUODEOHRSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001140461177 804441715 /nfs/dbraw/zinc/44/17/15/804441715.db2.gz GFECXEZAIRCMHI-IUODEOHRSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001140461177 804441720 /nfs/dbraw/zinc/44/17/20/804441720.db2.gz GFECXEZAIRCMHI-IUODEOHRSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001140467577 804443213 /nfs/dbraw/zinc/44/32/13/804443213.db2.gz YGRGNZXKCUDANZ-ZDUSSCGKSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001140467577 804443216 /nfs/dbraw/zinc/44/32/16/804443216.db2.gz YGRGNZXKCUDANZ-ZDUSSCGKSA-N 0 1 288.778 3.430 20 10 CGCDMN C[N@@H+](CCc1cccs1)Cc1c([O-])cc(F)cc1F ZINC001140583481 804466861 /nfs/dbraw/zinc/46/68/61/804466861.db2.gz IQQUXFGSJJEQOH-UHFFFAOYSA-N 0 1 283.343 3.406 20 10 CGCDMN C[N@@H+](CCc1ccc(F)cc1)Cc1c([O-])cc(F)cc1F ZINC001140583832 804467947 /nfs/dbraw/zinc/46/79/47/804467947.db2.gz VKJZTHDZCVUGCK-UHFFFAOYSA-N 0 1 295.304 3.484 20 10 CGCDMN CC(C)O[C@H]1CCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924633 804551061 /nfs/dbraw/zinc/55/10/61/804551061.db2.gz JUUIDBVBOHCUII-HNNXBMFYSA-N 0 1 296.842 3.405 20 10 CGCDMN COc1cc(O)c(CN2CC[C@H]2c2ccccc2)c(OC)c1 ZINC001141029021 804575748 /nfs/dbraw/zinc/57/57/48/804575748.db2.gz HTTCHRPTRABKLW-INIZCTEOSA-N 0 1 299.370 3.356 20 10 CGCDMN F[C@H]1CCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075886 804585676 /nfs/dbraw/zinc/58/56/76/804585676.db2.gz FIUPNHBPCVGFKO-KRWDZBQOSA-N 0 1 288.410 3.319 20 10 CGCDMN CN1CCOc2cc(CN(Cc3ccco3)C3CC3)ccc21 ZINC001141145703 804598805 /nfs/dbraw/zinc/59/88/05/804598805.db2.gz YONALRZZPSNVJZ-UHFFFAOYSA-N 0 1 298.386 3.273 20 10 CGCDMN CC[N@@H+](Cc1cccn2ccnc12)Cc1ccccc1O ZINC001142961237 804789151 /nfs/dbraw/zinc/78/91/51/804789151.db2.gz HJIQVCSTUGTUEB-UHFFFAOYSA-N 0 1 281.359 3.062 20 10 CGCDMN C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)[C@H](C)CO1 ZINC001143112677 804803492 /nfs/dbraw/zinc/80/34/92/804803492.db2.gz YDNIWDYHKVFWMW-CHWSQXEVSA-N 0 1 277.408 3.299 20 10 CGCDMN CC[C@@H](C)c1nn(C)cc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001249408514 805143181 /nfs/dbraw/zinc/14/31/81/805143181.db2.gz GALRLEBYUCCRRY-CYBMUJFWSA-N 0 1 299.418 3.198 20 10 CGCDMN CC[C@H](C)N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001257442155 807157845 /nfs/dbraw/zinc/15/78/45/807157845.db2.gz CYZQERBFARIGFA-LBPRGKRZSA-N 0 1 272.392 3.344 20 10 CGCDMN Cc1cc(Nc2ccc(F)c(Br)c2[O-])cc[nH+]1 ZINC001174657801 809121372 /nfs/dbraw/zinc/12/13/72/809121372.db2.gz QFKKTNQTYIVQRA-UHFFFAOYSA-N 0 1 297.127 3.163 20 10 CGCDMN COc1ccccc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001203437511 812356464 /nfs/dbraw/zinc/35/64/64/812356464.db2.gz DLYQMLVKKVXCGX-UHFFFAOYSA-N 0 1 299.370 3.055 20 10 CGCDMN C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203582178 812398419 /nfs/dbraw/zinc/39/84/19/812398419.db2.gz VALNCYAOGXTVDA-KCJUWKMLSA-N 0 1 290.190 3.044 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@]12CCOC2 ZINC001203586107 812401358 /nfs/dbraw/zinc/40/13/58/812401358.db2.gz KVQFNWIPIHYIIS-CYBMUJFWSA-N 0 1 288.174 3.064 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@]12CCOC2 ZINC001203586107 812401360 /nfs/dbraw/zinc/40/13/60/812401360.db2.gz KVQFNWIPIHYIIS-CYBMUJFWSA-N 0 1 288.174 3.064 20 10 CGCDMN CN(Cc1ccc(N2CCCC2)cc1)Cc1cccnc1 ZINC001204075163 812541544 /nfs/dbraw/zinc/54/15/44/812541544.db2.gz IDTNZICRYGBZQE-UHFFFAOYSA-N 0 1 281.403 3.314 20 10 CGCDMN c1cc2c(cn1)CN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204322609 812612543 /nfs/dbraw/zinc/61/25/43/812612543.db2.gz UAKAYSCEOHXDLZ-UHFFFAOYSA-N 0 1 293.414 3.240 20 10 CGCDMN COc1cc(CN(C)Cc2cccc(C)c2)cc(O)c1O ZINC001204342423 812615791 /nfs/dbraw/zinc/61/57/91/812615791.db2.gz LXILRSLEFKXBSI-UHFFFAOYSA-N 0 1 287.359 3.047 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C[C@]1(C)O ZINC001231587941 818129240 /nfs/dbraw/zinc/12/92/40/818129240.db2.gz JQPZREALAYQFTB-ACJLOTCBSA-N 0 1 285.387 3.138 20 10 CGCDMN CN1C[C@@H]2CCC[N@@H+](Cc3c(O)ccc4ccccc43)[C@@H]2C1 ZINC001231590353 818130112 /nfs/dbraw/zinc/13/01/12/818130112.db2.gz VOEPGMZNEDPUNP-MAUKXSAKSA-N 0 1 296.414 3.071 20 10 CGCDMN Cc1cc(O)c(CN2[C@@H]3CC[C@H]2CC(=O)C3)cc1Cl ZINC001231867494 818191333 /nfs/dbraw/zinc/19/13/33/818191333.db2.gz LJHTXYUFFNJTSX-TXEJJXNPSA-N 0 1 279.767 3.050 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@]3(CCCO3)C2)ccc2ccccc21 ZINC001231879600 818199450 /nfs/dbraw/zinc/19/94/50/818199450.db2.gz JSSFFPPLKDXLTB-GOSISDBHSA-N 0 1 283.371 3.300 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@]3(CCCO3)C2)ccc2ccccc21 ZINC001231879600 818199458 /nfs/dbraw/zinc/19/94/58/818199458.db2.gz JSSFFPPLKDXLTB-GOSISDBHSA-N 0 1 283.371 3.300 20 10 CGCDMN Oc1c(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)ccc2ccccc21 ZINC001231880321 818200049 /nfs/dbraw/zinc/20/00/49/818200049.db2.gz BSRNALFVSUPOKT-YOEHRIQHSA-N 0 1 283.371 3.156 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)ccc2ccccc21 ZINC001231880321 818200054 /nfs/dbraw/zinc/20/00/54/818200054.db2.gz BSRNALFVSUPOKT-YOEHRIQHSA-N 0 1 283.371 3.156 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)ccc2ccccc21 ZINC001231880321 818200056 /nfs/dbraw/zinc/20/00/56/818200056.db2.gz BSRNALFVSUPOKT-YOEHRIQHSA-N 0 1 283.371 3.156 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)[C@H]1CO ZINC001231879996 818200208 /nfs/dbraw/zinc/20/02/08/818200208.db2.gz ZWDPZTFIICVLIS-GUYCJALGSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])[C@H]1CO ZINC001231879996 818200216 /nfs/dbraw/zinc/20/02/16/818200216.db2.gz ZWDPZTFIICVLIS-GUYCJALGSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])[C@H]1CO ZINC001231879996 818200221 /nfs/dbraw/zinc/20/02/21/818200221.db2.gz ZWDPZTFIICVLIS-GUYCJALGSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1CCC[N@H+]1Cc1c([O-])cc(Br)cc1F ZINC001233026646 818503014 /nfs/dbraw/zinc/50/30/14/818503014.db2.gz BCJLSALBQLTLNM-MRVPVSSYSA-N 0 1 288.160 3.278 20 10 CGCDMN Cc1ccc([C@@H]2CCCN2Cc2cc(O)c(O)c(O)c2)cc1 ZINC001233013649 818503393 /nfs/dbraw/zinc/50/33/93/818503393.db2.gz RMJXSOBRYJNKPB-HNNXBMFYSA-N 0 1 299.370 3.449 20 10 CGCDMN Oc1c(CN2CC[C@H](CF)C(F)(F)C2)ccc(F)c1F ZINC001233074719 818516661 /nfs/dbraw/zinc/51/66/61/818516661.db2.gz UTCIGMMMRGCCKY-SECBINFHSA-N 0 1 295.251 3.097 20 10 CGCDMN O=C1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]2CCCC[C@H]12 ZINC001233074671 818517501 /nfs/dbraw/zinc/51/75/01/818517501.db2.gz RVUBBCXDOWPHAN-WCQYABFASA-N 0 1 295.329 3.004 20 10 CGCDMN O=C1CC[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]2CCCC[C@H]12 ZINC001233074671 818517506 /nfs/dbraw/zinc/51/75/06/818517506.db2.gz RVUBBCXDOWPHAN-WCQYABFASA-N 0 1 295.329 3.004 20 10 CGCDMN CC[NH+](CC)Cc1cc(Br)c(OC)cc1[O-] ZINC001233135054 818528238 /nfs/dbraw/zinc/52/82/38/818528238.db2.gz KLDNFISBEUMDOF-UHFFFAOYSA-N 0 1 288.185 3.005 20 10 CGCDMN Oc1cccc2c1C[N@@H+](Cc1ccc([S-])cc1)CC2 ZINC001233262269 818559630 /nfs/dbraw/zinc/55/96/30/818559630.db2.gz YPFZBZUVJDXSDI-UHFFFAOYSA-N 0 1 271.385 3.239 20 10 CGCDMN C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCCO1 ZINC001233452144 818622950 /nfs/dbraw/zinc/62/29/50/818622950.db2.gz MDIHIPDXHKDPGN-JTQLQIEISA-N 0 1 289.297 3.022 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCCO1 ZINC001233452144 818622957 /nfs/dbraw/zinc/62/29/57/818622957.db2.gz MDIHIPDXHKDPGN-JTQLQIEISA-N 0 1 289.297 3.022 20 10 CGCDMN CC(C)[N@H+](CCCO)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454452 818623880 /nfs/dbraw/zinc/62/38/80/818623880.db2.gz VNGVTOXFCUWIKA-UHFFFAOYSA-N 0 1 291.313 3.004 20 10 CGCDMN CC(C)[N@@H+](CCCO)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454452 818623881 /nfs/dbraw/zinc/62/38/81/818623881.db2.gz VNGVTOXFCUWIKA-UHFFFAOYSA-N 0 1 291.313 3.004 20 10 CGCDMN CC[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])C1CC1 ZINC001233728209 818692290 /nfs/dbraw/zinc/69/22/90/818692290.db2.gz UHSTXKCVUVHGGL-UHFFFAOYSA-N 0 1 275.270 3.275 20 10 CGCDMN CC[N@@H+](Cc1cccc(OC(F)(F)F)c1[O-])C1CC1 ZINC001233728209 818692295 /nfs/dbraw/zinc/69/22/95/818692295.db2.gz UHSTXKCVUVHGGL-UHFFFAOYSA-N 0 1 275.270 3.275 20 10 CGCDMN CN(Cc1ccno1)Cc1ccc(C(C)(C)C)cc1O ZINC001235681579 819140070 /nfs/dbraw/zinc/14/00/70/819140070.db2.gz NTAJFDLJUZAOGR-UHFFFAOYSA-N 0 1 274.364 3.310 20 10 CGCDMN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC001236793115 819598283 /nfs/dbraw/zinc/59/82/83/819598283.db2.gz HVSTZOAVJUNWRQ-JTQLQIEISA-N 0 1 290.190 3.046 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](F)CC2)c(Cl)c1 ZINC001236797875 819599018 /nfs/dbraw/zinc/59/90/18/819599018.db2.gz JQNUQHUDNAUNOD-JTQLQIEISA-N 0 1 287.762 3.378 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](F)CC2)c(Cl)c1 ZINC001236797875 819599021 /nfs/dbraw/zinc/59/90/21/819599021.db2.gz JQNUQHUDNAUNOD-JTQLQIEISA-N 0 1 287.762 3.378 20 10 CGCDMN COC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(Cl)c1[O-] ZINC001236801082 819599048 /nfs/dbraw/zinc/59/90/48/819599048.db2.gz FRMBZAVKLMJGTI-LBPRGKRZSA-N 0 1 299.798 3.055 20 10 CGCDMN CC[C@H](C)[N@@H+](C)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236801064 819600207 /nfs/dbraw/zinc/60/02/07/819600207.db2.gz DJYQDUZJCLFAER-VIFPVBQESA-N 0 1 257.761 3.285 20 10 CGCDMN COc1ccc(C[N@H+]2CC[C@H](OC(C)C)C2)c([O-])c1Cl ZINC001236807093 819601132 /nfs/dbraw/zinc/60/11/32/819601132.db2.gz MKHIQBZCGXMELL-LBPRGKRZSA-N 0 1 299.798 3.054 20 10 CGCDMN COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c([O-])c1Cl ZINC001236802784 819602130 /nfs/dbraw/zinc/60/21/30/819602130.db2.gz USTNLPGXCFZYDT-PHIMTYICSA-N 0 1 281.783 3.286 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2[O-])CCC[C@H]1O ZINC001236826741 819610409 /nfs/dbraw/zinc/61/04/09/819610409.db2.gz MEDRKNNBZKOTDW-CXAGYDPISA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2[O-])CCC[C@H]1O ZINC001236826741 819610414 /nfs/dbraw/zinc/61/04/14/819610414.db2.gz MEDRKNNBZKOTDW-CXAGYDPISA-N 0 1 285.387 3.138 20 10 CGCDMN Oc1cc2ccccc2cc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001236831097 819612323 /nfs/dbraw/zinc/61/23/23/819612323.db2.gz FFHWTPVDJVZCDT-GOSISDBHSA-N 0 1 283.371 3.300 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCCC12CC2 ZINC001237119074 819672020 /nfs/dbraw/zinc/67/20/20/819672020.db2.gz AICWHHZWGSPRGO-UHFFFAOYSA-N 0 1 255.720 3.313 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCCC12CC2 ZINC001237119074 819672022 /nfs/dbraw/zinc/67/20/22/819672022.db2.gz AICWHHZWGSPRGO-UHFFFAOYSA-N 0 1 255.720 3.313 20 10 CGCDMN C[C@@]1(F)CCN(Cc2cc(Cl)cc(F)c2O)C[C@H]1F ZINC001237617635 819786264 /nfs/dbraw/zinc/78/62/64/819786264.db2.gz TYVJKHCQMHWFLA-DGCLKSJQSA-N 0 1 293.716 3.457 20 10 CGCDMN CC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1O ZINC001237622303 819789202 /nfs/dbraw/zinc/78/92/02/819789202.db2.gz PYQAERAWLNQWAL-CYBMUJFWSA-N 0 1 285.746 3.128 20 10 CGCDMN CCCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237686226 819805449 /nfs/dbraw/zinc/80/54/49/819805449.db2.gz GTGKROWFQRRGDJ-AWEZNQCLSA-N 0 1 283.799 3.355 20 10 CGCDMN C[N@@H+](CCc1cccnc1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237799738 819845927 /nfs/dbraw/zinc/84/59/27/819845927.db2.gz UBGHOJGVHSKLSV-UHFFFAOYSA-N 0 1 294.757 3.254 20 10 CGCDMN CC[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C1CCOCC1 ZINC001237814966 819850795 /nfs/dbraw/zinc/85/07/95/819850795.db2.gz UFHAFPKPRLXLOX-UHFFFAOYSA-N 0 1 287.762 3.186 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC001474295045 937849060 /nfs/dbraw/zinc/84/90/60/937849060.db2.gz WRKXGBINRJHWMK-GIPNMCIBSA-N 0 1 296.208 3.433 20 10 CGCDMN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC001474626497 937207699 /nfs/dbraw/zinc/20/76/99/937207699.db2.gz MYFRJBAQCQSPOH-KGLIPLIRSA-N 0 1 269.772 3.011 20 10 CGCDMN Cc1c2ccccc2n(C)c1CN[C@@H](CCO)c1ccco1 ZINC001461456929 937582309 /nfs/dbraw/zinc/58/23/09/937582309.db2.gz MPXZRDVQVKQQRL-HNNXBMFYSA-N 0 1 298.386 3.293 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC001462117402 937618782 /nfs/dbraw/zinc/61/87/82/937618782.db2.gz PDIFBWJOOMQPTI-INIZCTEOSA-N 0 1 295.810 3.437 20 10 CGCDMN C[C@]12C[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001462622170 937654592 /nfs/dbraw/zinc/65/45/92/937654592.db2.gz ZLCUQYADENPPGG-YRZLHWLASA-N 0 1 291.341 3.314 20 10 CGCDMN Cc1ccc(CNCc2ccc3c(c2)CCCO3)nc1 ZINC001308446971 933112446 /nfs/dbraw/zinc/11/24/46/933112446.db2.gz GCEIPNOYNDSUMH-UHFFFAOYSA-N 0 1 268.360 3.005 20 10 CGCDMN CCOCC(C)(C)C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001308798558 933178824 /nfs/dbraw/zinc/17/88/24/933178824.db2.gz GVGWSDUNFNMRBH-UHFFFAOYSA-N 0 1 271.788 3.198 20 10 CGCDMN CC(C)CC[C@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC001308866673 933192949 /nfs/dbraw/zinc/19/29/49/933192949.db2.gz YBXQQGUFKXMJFJ-MRXNPFEDSA-N 0 1 287.403 3.432 20 10 CGCDMN Cc1cc(CN(C)c2ccc(OC(C)C)cc2)n[nH]1 ZINC001320772504 934101588 /nfs/dbraw/zinc/10/15/88/934101588.db2.gz JCWYGOIBNYTNAV-UHFFFAOYSA-N 0 1 259.353 3.142 20 10 CGCDMN Cc1cc(CCNCc2ccon2)c(C)n1-c1ccccc1 ZINC001474227390 937845148 /nfs/dbraw/zinc/84/51/48/937845148.db2.gz KPAWRRGLCWTHEX-UHFFFAOYSA-N 0 1 295.386 3.414 20 10 CGCDMN CSCC(C)(C)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474740762 937878366 /nfs/dbraw/zinc/87/83/66/937878366.db2.gz OVRIBHGIHWQWFE-UHFFFAOYSA-N 0 1 259.802 3.277 20 10 CGCDMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C1(C)C ZINC001560635994 938267787 /nfs/dbraw/zinc/26/77/87/938267787.db2.gz SMTVATZTWDCHKP-QWHCGFSZSA-N 0 1 299.361 3.306 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC001603106676 972179882 /nfs/dbraw/zinc/17/98/82/972179882.db2.gz BRFJSVUYTQIWRW-DOMZBBRYSA-N 0 1 291.391 3.058 20 10 CGCDMN CCc1cccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1O ZINC001603975393 974466914 /nfs/dbraw/zinc/46/69/14/974466914.db2.gz XBDPQNMQHXYHKF-OAHLLOKOSA-N 0 1 291.391 3.174 20 10 CGCDMN CC/C=C/CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC001595513698 981307310 /nfs/dbraw/zinc/30/73/10/981307310.db2.gz FFNOMZLQOGUBLP-ONEGZZNKSA-N 0 1 297.782 3.289 20 10 CGCDMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1cc(C)ccc1O)CC1CC1 ZINC001594787546 981822471 /nfs/dbraw/zinc/82/24/71/981822471.db2.gz HONLLQSCSIZXFD-QGZVFWFLSA-N 0 1 291.391 3.166 20 10 CGCDMN CC(C)[N@@H+](CCCCC(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC001591589553 992798832 /nfs/dbraw/zinc/79/88/32/992798832.db2.gz OVJDUXSVSAIOTA-UHFFFAOYSA-N 0 1 292.423 3.218 20 10 CGCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(F)cn1 ZINC000092743054 345856084 /nfs/dbraw/zinc/85/60/84/345856084.db2.gz NDUPPNCNQFDFPE-LLVKDONJSA-N 0 1 291.345 3.277 20 10 CGCDMN CCc1ncc(CN(C)Cc2ccccc2O)s1 ZINC000091956477 345826551 /nfs/dbraw/zinc/82/65/51/345826551.db2.gz AMHMWFBSXFIVGB-UHFFFAOYSA-N 0 1 262.378 3.043 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293984197 346432034 /nfs/dbraw/zinc/43/20/34/346432034.db2.gz LFEJEGANRWRECA-LLVKDONJSA-N 0 1 290.190 3.046 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](C)CCCO)c1cc(Cl)ccc1[O-] ZINC000296603846 296127178 /nfs/dbraw/zinc/12/71/78/296127178.db2.gz VUAYKGJIKXWIQW-WDEREUQCSA-N 0 1 271.788 3.105 20 10 CGCDMN CCCN(Cc1nccs1)Cc1ccccc1O ZINC000135111052 371391373 /nfs/dbraw/zinc/39/13/73/371391373.db2.gz UNZCQBOKWNWAQN-UHFFFAOYSA-N 0 1 262.378 3.261 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000288482415 371740061 /nfs/dbraw/zinc/74/00/61/371740061.db2.gz GPSXQMKKTJPWAB-LLVKDONJSA-N 0 1 289.762 3.311 20 10 CGCDMN Cc1cc(O)c(CNCc2noc3c2CCCC3)cc1C ZINC000288561190 371740975 /nfs/dbraw/zinc/74/09/75/371740975.db2.gz YQZYEQIRLSVZON-UHFFFAOYSA-N 0 1 286.375 3.166 20 10 CGCDMN Cc1cccnc1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000295034481 372688596 /nfs/dbraw/zinc/68/85/96/372688596.db2.gz OFEXMMLGNFKJER-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000172112422 372908168 /nfs/dbraw/zinc/90/81/68/372908168.db2.gz IVFQNMPMSBULJA-LLVKDONJSA-N 0 1 262.328 3.336 20 10 CGCDMN CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C)cc1O ZINC000296373454 373109030 /nfs/dbraw/zinc/10/90/30/373109030.db2.gz JGWFKXOTQKKKPE-BTFYYFJDSA-N 0 1 288.435 3.367 20 10 CGCDMN COC[C@H](N[C@H](C)c1ccccc1O)c1ccc(C)o1 ZINC000183541214 374426327 /nfs/dbraw/zinc/42/63/27/374426327.db2.gz GHVWDBGPPDMZDM-OCCSQVGLSA-N 0 1 275.348 3.332 20 10 CGCDMN COc1ccc(F)cc1CNCc1ccc(N(C)C)cc1 ZINC000237173105 376734691 /nfs/dbraw/zinc/73/46/91/376734691.db2.gz XBOBAKVAJXROSB-UHFFFAOYSA-N 0 1 288.366 3.190 20 10 CGCDMN COc1cccc(CN(C)Cc2ccc(F)cc2F)c1O ZINC000271048437 378438066 /nfs/dbraw/zinc/43/80/66/378438066.db2.gz TXILMWBOGIPKDC-UHFFFAOYSA-N 0 1 293.313 3.311 20 10 CGCDMN COC1CCC([N@H+](C)Cc2c([O-])cccc2Cl)CC1 ZINC000271200842 378482201 /nfs/dbraw/zinc/48/22/01/378482201.db2.gz TWVRXAMZFZFLTH-UHFFFAOYSA-N 0 1 283.799 3.435 20 10 CGCDMN COC1CCC([N@@H+](C)Cc2c([O-])cccc2Cl)CC1 ZINC000271200842 378482204 /nfs/dbraw/zinc/48/22/04/378482204.db2.gz TWVRXAMZFZFLTH-UHFFFAOYSA-N 0 1 283.799 3.435 20 10 CGCDMN C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000272240536 378592640 /nfs/dbraw/zinc/59/26/40/378592640.db2.gz GMRXMTNWFZFHDS-NSHDSACASA-N 0 1 275.323 3.430 20 10 CGCDMN CCCO[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC000272246352 378594007 /nfs/dbraw/zinc/59/40/07/378594007.db2.gz HMDPSHDUWCOOAV-AWEZNQCLSA-N 0 1 281.371 3.312 20 10 CGCDMN COc1cccc(C[N@@H+](C)Cc2cccc(F)c2[O-])c1 ZINC000272254984 378597687 /nfs/dbraw/zinc/59/76/87/378597687.db2.gz IYCIRVQTRAQYGO-UHFFFAOYSA-N 0 1 275.323 3.172 20 10 CGCDMN CCn1cnnc1CN[C@@H](C)c1ccc2ccccc2c1O ZINC000273299244 378740496 /nfs/dbraw/zinc/74/04/96/378740496.db2.gz AWRRSRIZTTVQHK-LBPRGKRZSA-N 0 1 296.374 3.008 20 10 CGCDMN C[C@@H]([NH2+]CCNc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000273467955 378747814 /nfs/dbraw/zinc/74/78/14/378747814.db2.gz FDVOVPRBVBJDAA-LLVKDONJSA-N 0 1 291.782 3.203 20 10 CGCDMN Cc1ccc(O)c([C@H](C)N[C@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273464427 378748725 /nfs/dbraw/zinc/74/87/25/378748725.db2.gz IPYLBGWUZZUFRH-NWDGAFQWSA-N 0 1 288.395 3.354 20 10 CGCDMN C[C@H]([NH2+]CCOCC1CC1)c1cc(Cl)ccc1[O-] ZINC000273586913 378753845 /nfs/dbraw/zinc/75/38/45/378753845.db2.gz OAGJYJKXJHCWJW-JTQLQIEISA-N 0 1 269.772 3.123 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375321327 379490716 /nfs/dbraw/zinc/49/07/16/379490716.db2.gz PRHHDXQJFMLFSD-JSGCOSHPSA-N 0 1 299.773 3.328 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375321324 379491726 /nfs/dbraw/zinc/49/17/26/379491726.db2.gz PRHHDXQJFMLFSD-GXTWGEPZSA-N 0 1 299.773 3.328 20 10 CGCDMN CC1=C(Br)CN(Cc2ccccc2O)CC1 ZINC000281249130 379826021 /nfs/dbraw/zinc/82/60/21/379826021.db2.gz XANPUPPCSXLQPY-UHFFFAOYSA-N 0 1 282.181 3.267 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000285302100 380145040 /nfs/dbraw/zinc/14/50/40/380145040.db2.gz VYZHVDDAMHCHFE-KBPBESRZSA-N 0 1 281.783 3.189 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000285331892 380148545 /nfs/dbraw/zinc/14/85/45/380148545.db2.gz XNKOQCLWPNQCFX-UKRRQHHQSA-N 0 1 281.783 3.189 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000285331892 380148547 /nfs/dbraw/zinc/14/85/47/380148547.db2.gz XNKOQCLWPNQCFX-UKRRQHHQSA-N 0 1 281.783 3.189 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CCC[C@H]1c1ncc[nH]1 ZINC000365257032 382283814 /nfs/dbraw/zinc/28/38/14/382283814.db2.gz QASJFXAWMBZJIH-NSHDSACASA-N 0 1 295.745 3.245 20 10 CGCDMN Cc1ccc(O)c(CN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179316373 392696465 /nfs/dbraw/zinc/69/64/65/392696465.db2.gz DGJVXYBWZTZPOS-UHFFFAOYSA-N 0 1 286.331 3.241 20 10 CGCDMN CCOc1cccc(CN(C)Cc2scnc2C)c1O ZINC000179427153 392699763 /nfs/dbraw/zinc/69/97/63/392699763.db2.gz VFOAMPNMHGPFES-UHFFFAOYSA-N 0 1 292.404 3.188 20 10 CGCDMN C[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(N(C)C)cc1 ZINC000271511775 393251774 /nfs/dbraw/zinc/25/17/74/393251774.db2.gz NWNDCUZTYIPFEA-LRDDRELGSA-N 0 1 284.407 3.204 20 10 CGCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccnc1 ZINC000020127711 171014098 /nfs/dbraw/zinc/01/40/98/171014098.db2.gz QSQZWLVVWMYUMO-SNVBAGLBSA-N 0 1 262.740 3.291 20 10 CGCDMN CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185154810 262044007 /nfs/dbraw/zinc/04/40/07/262044007.db2.gz YXSHQQKGQKCVLF-GHMZBOCLSA-N 0 1 298.814 3.001 20 10 CGCDMN Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185276795 262048515 /nfs/dbraw/zinc/04/85/15/262048515.db2.gz NIXQVLUYQVOSBY-SECBINFHSA-N 0 1 293.798 3.247 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000189340093 264291202 /nfs/dbraw/zinc/29/12/02/264291202.db2.gz MDZAWIXUVZVVNW-YDHLFZDLSA-N 0 1 285.387 3.357 20 10 CGCDMN Cc1c2ccccc2n(C)c1CN[C@H](C)c1nccnc1C ZINC000358977365 266516181 /nfs/dbraw/zinc/51/61/81/266516181.db2.gz CDYAVPSUECREJM-CQSZACIVSA-N 0 1 294.402 3.436 20 10 CGCDMN CN(C)c1ccc(CN2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000375620618 267879204 /nfs/dbraw/zinc/87/92/04/267879204.db2.gz XTVPHIRWOSIHBI-KRWDZBQOSA-N 0 1 284.407 3.203 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2ncccc2Cl)c1 ZINC000528440325 326952897 /nfs/dbraw/zinc/95/28/97/326952897.db2.gz XSNYVZHJOHCDIO-SNVBAGLBSA-N 0 1 292.766 3.300 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(F)ccc1[O-] ZINC000248533936 329891479 /nfs/dbraw/zinc/89/14/79/329891479.db2.gz ZMASTTXXAVUUTP-SFXCNKRSSA-N 0 1 279.355 3.140 20 10 CGCDMN CCCN(Cc1nc(C)c(C)o1)Cc1ccccc1O ZINC000068973520 521692855 /nfs/dbraw/zinc/69/28/55/521692855.db2.gz GHBVTUPULKIPQV-UHFFFAOYSA-N 0 1 274.364 3.409 20 10 CGCDMN CC[C@H](C)c1nnc([C@@H](C)NCc2cc(C)ccc2O)[nH]1 ZINC000277403031 522052678 /nfs/dbraw/zinc/05/26/78/522052678.db2.gz KUKDQMOTVDFSEW-NWDGAFQWSA-N 0 1 288.395 3.183 20 10 CGCDMN CC[C@H](CSC)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000290289138 522268761 /nfs/dbraw/zinc/26/87/61/522268761.db2.gz AEJPKFPZWAQWEK-LLVKDONJSA-N 0 1 257.374 3.105 20 10 CGCDMN C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])N(C)C ZINC000038088829 524496267 /nfs/dbraw/zinc/49/62/67/524496267.db2.gz NWRPECRHHCYLAD-OLZOCXBDSA-N 0 1 272.392 3.146 20 10 CGCDMN Cc1ccc(O)c([C@@H](C)N[C@@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273464426 525361545 /nfs/dbraw/zinc/36/15/45/525361545.db2.gz IPYLBGWUZZUFRH-NEPJUHHUSA-N 0 1 288.395 3.354 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000037738170 525483756 /nfs/dbraw/zinc/48/37/56/525483756.db2.gz LJTPRGCWLISMEW-OLZOCXBDSA-N 0 1 271.360 3.233 20 10 CGCDMN [O-]c1ccccc1C[N@H+](C[C@H]1CCOC1)C1CCCC1 ZINC000732204064 572451390 /nfs/dbraw/zinc/45/13/90/572451390.db2.gz BATMHOBTAXFFQR-CQSZACIVSA-N 0 1 275.392 3.173 20 10 CGCDMN [O-]c1ccccc1C[N@@H+](C[C@H]1CCOC1)C1CCCC1 ZINC000732204064 572451391 /nfs/dbraw/zinc/45/13/91/572451391.db2.gz BATMHOBTAXFFQR-CQSZACIVSA-N 0 1 275.392 3.173 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000733326988 572556578 /nfs/dbraw/zinc/55/65/78/572556578.db2.gz HRYFURNWILGVIA-UHFFFAOYSA-N 0 1 289.762 3.270 20 10 CGCDMN C[C@@H]1c2ccccc2CN1Cc1cc2c(cc1O)OCO2 ZINC000747460815 572930522 /nfs/dbraw/zinc/93/05/22/572930522.db2.gz CDVUFKQBPFPBGU-LLVKDONJSA-N 0 1 283.327 3.198 20 10 CGCDMN C[C@@H]1CC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000309046369 618760576 /nfs/dbraw/zinc/76/05/76/618760576.db2.gz NKRLLAVJLWJUDJ-LDYMZIIASA-N 0 1 270.170 3.043 20 10 CGCDMN CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000315902305 599996270 /nfs/dbraw/zinc/99/62/70/599996270.db2.gz NJYJQRVMLBBFLE-UHFFFAOYSA-N 0 1 298.386 3.083 20 10 CGCDMN C[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccccc1O ZINC000818071709 601761778 /nfs/dbraw/zinc/76/17/78/601761778.db2.gz VTRVYMKDYXCTCL-CYBMUJFWSA-N 0 1 285.343 3.040 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121241499 618100826 /nfs/dbraw/zinc/10/08/26/618100826.db2.gz BEOAZZAKOSBBDI-NSHDSACASA-N 0 1 291.782 3.148 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121241499 618100835 /nfs/dbraw/zinc/10/08/35/618100835.db2.gz BEOAZZAKOSBBDI-NSHDSACASA-N 0 1 291.782 3.148 20 10 CGCDMN CCC(C)(C)OCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000308693305 618341636 /nfs/dbraw/zinc/34/16/36/618341636.db2.gz MSFQPXGJHKBFQB-UHFFFAOYSA-N 0 1 271.788 3.340 20 10 CGCDMN CN(Cc1ccc(Br)o1)Cc1ccccc1O ZINC000179556949 618795555 /nfs/dbraw/zinc/79/55/55/618795555.db2.gz HRNQZJORROMVRB-UHFFFAOYSA-N 0 1 296.164 3.380 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000893867028 619324437 /nfs/dbraw/zinc/32/44/37/619324437.db2.gz SOGNZPOHFQEUGP-CQSZACIVSA-N 0 1 278.302 3.336 20 10 CGCDMN Cc1cc([C@H]2CCCN2Cc2cc(F)cc(F)c2O)no1 ZINC000893945894 619338095 /nfs/dbraw/zinc/33/80/95/619338095.db2.gz JJVVEIQFMGSTJJ-CQSZACIVSA-N 0 1 294.301 3.304 20 10 CGCDMN CC(C)[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000792174595 619603531 /nfs/dbraw/zinc/60/35/31/619603531.db2.gz YKFHSRQGQMENCN-CYBMUJFWSA-N 0 1 287.762 3.042 20 10 CGCDMN CC(C)[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000792174598 619603641 /nfs/dbraw/zinc/60/36/41/619603641.db2.gz YKFHSRQGQMENCN-ZDUSSCGKSA-N 0 1 287.762 3.042 20 10 CGCDMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894748588 619619308 /nfs/dbraw/zinc/61/93/08/619619308.db2.gz UHNRWEBQEDLWQF-FZMZJTMJSA-N 0 1 299.361 3.186 20 10 CGCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000793217685 619705880 /nfs/dbraw/zinc/70/58/80/619705880.db2.gz MZWKJFNEECAOEG-CQSZACIVSA-N 0 1 287.762 3.186 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000895135485 619748312 /nfs/dbraw/zinc/74/83/12/619748312.db2.gz ABAJOKMSFIBWOE-CYBMUJFWSA-N 0 1 274.751 3.218 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000895581362 619856237 /nfs/dbraw/zinc/85/62/37/619856237.db2.gz NYWYLMRSDMQRMU-LLVKDONJSA-N 0 1 294.807 3.492 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000895581365 619856312 /nfs/dbraw/zinc/85/63/12/619856312.db2.gz NYWYLMRSDMQRMU-NSHDSACASA-N 0 1 294.807 3.492 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895842746 619893008 /nfs/dbraw/zinc/89/30/08/619893008.db2.gz FHVOESFPFMKNRL-NHYWBVRUSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895842746 619893011 /nfs/dbraw/zinc/89/30/11/619893011.db2.gz FHVOESFPFMKNRL-NHYWBVRUSA-N 0 1 281.783 3.047 20 10 CGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](O)c1ccccc1 ZINC000206876909 620230052 /nfs/dbraw/zinc/23/00/52/620230052.db2.gz OUGKLNCWWAUBJV-ZBEGNZNMSA-N 0 1 291.778 3.257 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898065014 620473329 /nfs/dbraw/zinc/47/33/29/620473329.db2.gz AVYDSHLTFCGCRM-SWLSCSKDSA-N 0 1 293.794 3.094 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCCc2ccccc2C1 ZINC000166374281 622883955 /nfs/dbraw/zinc/88/39/55/622883955.db2.gz 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/nfs/dbraw/zinc/31/71/98/626317198.db2.gz GSUKIWVVNIUKRZ-GASCZTMLSA-N 0 1 271.360 3.203 20 10 CGCDMN CC(C)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000755921217 626660588 /nfs/dbraw/zinc/66/05/88/626660588.db2.gz NQXQHBCTIWYQAN-CQSZACIVSA-N 0 1 270.376 3.418 20 10 CGCDMN CC(C)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000755921217 626660589 /nfs/dbraw/zinc/66/05/89/626660589.db2.gz NQXQHBCTIWYQAN-CQSZACIVSA-N 0 1 270.376 3.418 20 10 CGCDMN C[C@H]([NH2+]CCCCn1ccnc1)c1cc(Cl)ccc1[O-] ZINC000756459560 626707143 /nfs/dbraw/zinc/70/71/43/626707143.db2.gz OWHZNZGEJGFHFL-LBPRGKRZSA-N 0 1 293.798 3.373 20 10 CGCDMN C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756496890 626709904 /nfs/dbraw/zinc/70/99/04/626709904.db2.gz YJBKJRNSRCRCFE-QWRGUYRKSA-N 0 1 291.782 3.117 20 10 CGCDMN CCN(CC)C[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756536432 626713367 /nfs/dbraw/zinc/71/33/67/626713367.db2.gz VRLIPXGPORWSKT-NWDGAFQWSA-N 0 1 284.831 3.427 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000756554003 626714549 /nfs/dbraw/zinc/71/45/49/626714549.db2.gz NQDAXOFIEFSDBD-BXUZGUMPSA-N 0 1 294.826 3.181 20 10 CGCDMN C[C@H]([NH2+]CC1(O)CCCC1)c1cc(Cl)ccc1[O-] ZINC000756575981 626717132 /nfs/dbraw/zinc/71/71/32/626717132.db2.gz SAVCLOJKWCUWES-JTQLQIEISA-N 0 1 269.772 3.001 20 10 CGCDMN Cc1ccc([C@@H](C)NCc2ccn(C(C)C)n2)c(O)c1 ZINC000756596341 626719370 /nfs/dbraw/zinc/71/93/70/626719370.db2.gz ZIDJOJPZMUBHFW-CYBMUJFWSA-N 0 1 273.380 3.329 20 10 CGCDMN CCC[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756619964 626721342 /nfs/dbraw/zinc/72/13/42/626721342.db2.gz ZHYVDRMZKMZVSG-OUCADQQQSA-N 0 1 295.398 3.468 20 10 CGCDMN C[C@H](O)CC(C)(C)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756732563 626728397 /nfs/dbraw/zinc/72/83/97/626728397.db2.gz JEIUAVGPUUMJQU-GVXVVHGQSA-N 0 1 295.398 3.466 20 10 CGCDMN Cc1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])ncn1 ZINC000756775895 626731554 /nfs/dbraw/zinc/73/15/54/626731554.db2.gz 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CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCOC1 ZINC000775653516 628120322 /nfs/dbraw/zinc/12/03/22/628120322.db2.gz JYTRLXIVAPHZFM-JTQLQIEISA-N 0 1 287.762 3.043 20 10 CGCDMN C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000776175038 628176912 /nfs/dbraw/zinc/17/69/12/628176912.db2.gz WCJREFNCPPOKKW-NSHDSACASA-N 0 1 291.778 3.472 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1F ZINC000779151130 628390783 /nfs/dbraw/zinc/39/07/83/628390783.db2.gz VMKCGINIMAROHK-JOYOIKCWSA-N 0 1 257.736 3.226 20 10 CGCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1O ZINC000779432154 628413153 /nfs/dbraw/zinc/41/31/53/628413153.db2.gz LWWFKQKMIRTPAR-JSGCOSHPSA-N 0 1 297.826 3.275 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)CC2CC2)c1 ZINC000781903359 628604345 /nfs/dbraw/zinc/60/43/45/628604345.db2.gz ZTTZPUGTWFEBCW-UHFFFAOYSA-N 0 1 284.197 3.305 20 10 CGCDMN Cc1nnc(CN[C@H](C)c2c(C)cc(C)cc2O)s1 ZINC000788732921 629076762 /nfs/dbraw/zinc/07/67/62/629076762.db2.gz GULLCZLTXYDBAF-SNVBAGLBSA-N 0 1 277.393 3.020 20 10 CGCDMN CSc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789943717 629175857 /nfs/dbraw/zinc/17/58/57/629175857.db2.gz CGYFQBIJRYUYER-UHFFFAOYSA-N 0 1 293.319 3.211 20 10 CGCDMN C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000790934634 629241916 /nfs/dbraw/zinc/24/19/16/629241916.db2.gz PVOABYWPTTUSLX-RISCZKNCSA-N 0 1 283.799 3.171 20 10 CGCDMN C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000790934634 629241920 /nfs/dbraw/zinc/24/19/20/629241920.db2.gz PVOABYWPTTUSLX-RISCZKNCSA-N 0 1 283.799 3.171 20 10 CGCDMN CO[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC[C@H]1C ZINC000792180385 629345501 /nfs/dbraw/zinc/34/55/01/629345501.db2.gz QZTPCWAXEPSXOM-RNCFNFMXSA-N 0 1 287.762 3.042 20 10 CGCDMN C[C@H]1CCSCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000792195086 629347559 /nfs/dbraw/zinc/34/75/59/629347559.db2.gz CHKNFJKHHMEPBY-JTQLQIEISA-N 0 1 271.813 3.373 20 10 CGCDMN C[C@H]1CCSCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000792195086 629347563 /nfs/dbraw/zinc/34/75/63/629347563.db2.gz CHKNFJKHHMEPBY-JTQLQIEISA-N 0 1 271.813 3.373 20 10 CGCDMN C[N@H+](Cc1c([O-])ccc2ccccc21)CC1(C)COC1 ZINC000862477365 629383615 /nfs/dbraw/zinc/38/36/15/629383615.db2.gz KRTUJJMSWWABJB-UHFFFAOYSA-N 0 1 271.360 3.014 20 10 CGCDMN C[N@@H+](Cc1c([O-])ccc2ccccc21)CC1(C)COC1 ZINC000862477365 629383616 /nfs/dbraw/zinc/38/36/16/629383616.db2.gz KRTUJJMSWWABJB-UHFFFAOYSA-N 0 1 271.360 3.014 20 10 CGCDMN Cc1cc(Cl)cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000793214790 629429056 /nfs/dbraw/zinc/42/90/56/629429056.db2.gz RGJVOSSYDDCOBZ-IAQYHMDHSA-N 0 1 295.810 3.353 20 10 CGCDMN C[C@@H](NCc1cccnc1F)c1ccc(N(C)C)cc1 ZINC000794833007 629583918 /nfs/dbraw/zinc/58/39/18/629583918.db2.gz JLIJCUCBHOHMIG-GFCCVEGCSA-N 0 1 273.355 3.138 20 10 CGCDMN COc1cccc(CCC[N@@H+](C)Cc2ccccc2O)c1 ZINC000119527040 629610005 /nfs/dbraw/zinc/61/00/05/629610005.db2.gz NBUVJDNBVJMJAQ-UHFFFAOYSA-N 0 1 285.387 3.465 20 10 CGCDMN COc1ccc(CNc2cc[nH+]c3c([O-])cccc23)c(O)c1 ZINC000795290133 629656975 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/nfs/dbraw/zinc/60/05/06/630600506.db2.gz JRHYTTVJGJREKU-UHFFFAOYSA-N 0 1 299.157 3.266 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CO)CCC2)c1[O-] ZINC000808713814 630669877 /nfs/dbraw/zinc/66/98/77/630669877.db2.gz KMXVZXQZKQYIFS-NSHDSACASA-N 0 1 283.799 3.167 20 10 CGCDMN COc1ccc2c(c1)CCCCN2Cc1cn[nH]c1C ZINC000811508114 631077385 /nfs/dbraw/zinc/07/73/85/631077385.db2.gz APZOBYWQSKZIJR-UHFFFAOYSA-N 0 1 271.364 3.070 20 10 CGCDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC(C)(C)C ZINC000812794758 631313191 /nfs/dbraw/zinc/31/31/91/631313191.db2.gz FEXXEANKCNQYDF-UHFFFAOYSA-N 0 1 296.367 3.177 20 10 CGCDMN Cc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])o1 ZINC000876535348 634853190 /nfs/dbraw/zinc/85/31/90/634853190.db2.gz NLKYZVVDYYCVJV-UHFFFAOYSA-N 0 1 267.275 3.204 20 10 CGCDMN CC[C@@]1(C)CN(Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815099898 631716301 /nfs/dbraw/zinc/71/63/01/631716301.db2.gz ODCBFLCEPCPDKE-KRWDZBQOSA-N 0 1 276.424 3.062 20 10 CGCDMN Cc1cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)ccc1N(C)C 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[O-]c1c(C[NH2+]C[C@H](O)c2ccccc2)ccc2ccccc21 ZINC000816529539 632004661 /nfs/dbraw/zinc/00/46/61/632004661.db2.gz WQPGAEKYFXJIAC-SFHVURJKSA-N 0 1 293.366 3.369 20 10 CGCDMN C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816564367 632012860 /nfs/dbraw/zinc/01/28/60/632012860.db2.gz COEVEDSMEQGISL-ZFWWWQNUSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816564367 632012862 /nfs/dbraw/zinc/01/28/62/632012862.db2.gz COEVEDSMEQGISL-ZFWWWQNUSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H](CO)CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559813 632012903 /nfs/dbraw/zinc/01/29/03/632012903.db2.gz WBLNPTGSRRCOMC-ZDUSSCGKSA-N 0 1 273.376 3.044 20 10 CGCDMN CO[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC[C@H]1C ZINC000816586392 632017530 /nfs/dbraw/zinc/01/75/30/632017530.db2.gz GSKJYKONPLQZGD-OTYXRUKQSA-N 0 1 287.762 3.042 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)[C@@H](C)[C@H](C)O1 ZINC000816586364 632018272 /nfs/dbraw/zinc/01/82/72/632018272.db2.gz GHAILAKGSMXYGW-UTLUCORTSA-N 0 1 287.762 3.182 20 10 CGCDMN CC(C)C[C@H](CO)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816612564 632022554 /nfs/dbraw/zinc/02/25/54/632022554.db2.gz SFWLHSSEDFTVAC-LLVKDONJSA-N 0 1 289.778 3.024 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H](C)OC ZINC000816617105 632025475 /nfs/dbraw/zinc/02/54/75/632025475.db2.gz OZVDTJJZTCMUEC-SECBINFHSA-N 0 1 275.751 3.042 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000816667778 632042024 /nfs/dbraw/zinc/04/20/24/632042024.db2.gz WKFVDTFILQIWLD-AWEZNQCLSA-N 0 1 295.810 3.437 20 10 CGCDMN CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000817414960 632145085 /nfs/dbraw/zinc/14/50/85/632145085.db2.gz NIVLLRVEVZIPIF-CHWSQXEVSA-N 0 1 269.772 3.093 20 10 CGCDMN COc1cccc(O)c1CN[C@H]1C[C@@]1(F)c1ccccc1 ZINC000818231083 632299924 /nfs/dbraw/zinc/29/99/24/632299924.db2.gz VCYXIKUFRFAGQU-DLBZAZTESA-N 0 1 287.334 3.128 20 10 CGCDMN CCOCC[N@@H+](CC)Cc1cc(Cl)c(C)cc1O ZINC000824632228 633266681 /nfs/dbraw/zinc/26/66/81/633266681.db2.gz AHOFXMCDQQVICV-UHFFFAOYSA-N 0 1 271.788 3.212 20 10 CGCDMN CCOCC[N@H+](CC)Cc1cc(Cl)c(C)cc1[O-] ZINC000824632228 633266683 /nfs/dbraw/zinc/26/66/83/633266683.db2.gz AHOFXMCDQQVICV-UHFFFAOYSA-N 0 1 271.788 3.212 20 10 CGCDMN CCOCC[N@@H+](CC)Cc1cc(Cl)c(C)cc1[O-] ZINC000824632228 633266684 /nfs/dbraw/zinc/26/66/84/633266684.db2.gz AHOFXMCDQQVICV-UHFFFAOYSA-N 0 1 271.788 3.212 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650094 633267444 /nfs/dbraw/zinc/26/74/44/633267444.db2.gz IAZJKBVCPSHZPW-LBPRGKRZSA-N 0 1 255.720 3.169 20 10 CGCDMN CC(C)(O)C(C)(C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000825202716 633336145 /nfs/dbraw/zinc/33/61/45/633336145.db2.gz URVPCXVZVYEIBN-UHFFFAOYSA-N 0 1 287.403 3.432 20 10 CGCDMN COC[C@@H](NCc1cc(Cl)c(C)cc1O)c1ccco1 ZINC000825325757 633345607 /nfs/dbraw/zinc/34/56/07/633345607.db2.gz IMWFCEJVSOEPPT-CYBMUJFWSA-N 0 1 295.766 3.424 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[C@H]2CCOC2)cc1Cl ZINC000825347085 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[O-]c1c(C[N@H+]2CCC[C@@](O)(C3CC3)C2)ccc2ccccc21 ZINC000827153098 633465307 /nfs/dbraw/zinc/46/53/07/633465307.db2.gz YKDPZAGOCSGXJZ-IBGZPJMESA-N 0 1 297.398 3.282 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)ccc2ccccc21 ZINC000827153098 633465309 /nfs/dbraw/zinc/46/53/09/633465309.db2.gz YKDPZAGOCSGXJZ-IBGZPJMESA-N 0 1 297.398 3.282 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H](C)O1 ZINC000827371152 633485981 /nfs/dbraw/zinc/48/59/81/633485981.db2.gz PWQIOKMJJOKZCO-ZJUUUORDSA-N 0 1 287.762 3.184 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)ccc2ccccc21 ZINC000827601736 633502176 /nfs/dbraw/zinc/50/21/76/633502176.db2.gz HSACGHRXAWOCFF-JKSUJKDBSA-N 0 1 283.371 3.014 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@H]3COC[C@H]3C2)ccc2ccccc21 ZINC000827601736 633502181 /nfs/dbraw/zinc/50/21/81/633502181.db2.gz HSACGHRXAWOCFF-JKSUJKDBSA-N 0 1 283.371 3.014 20 10 CGCDMN CCc1cccc(CN2CCOc3ccc(O)cc3C2)c1O ZINC000827655937 633508526 /nfs/dbraw/zinc/50/85/26/633508526.db2.gz FTIZMTOFOSFCGD-UHFFFAOYSA-N 0 1 299.370 3.055 20 10 CGCDMN Cc1ccc(CN(C)C)cc1NC(=O)C1=CC(=O)CS1 ZINC000829678586 633765127 /nfs/dbraw/zinc/76/51/27/633765127.db2.gz NPTIOYZLVDAEPB-UHFFFAOYSA-N 0 1 290.388 3.076 20 10 CGCDMN C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(Cl)ccc1[O-] ZINC000872111443 634035072 /nfs/dbraw/zinc/03/50/72/634035072.db2.gz CVWDUKVPHIIATO-MNOVXSKESA-N 0 1 297.782 3.040 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](C)CCCO)c1cc(Cl)ccc1[O-] ZINC000834870823 634260333 /nfs/dbraw/zinc/26/03/33/634260333.db2.gz KPLNBQTZYLJHRZ-SMDDNHRTSA-N 0 1 285.815 3.495 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873155889 634263988 /nfs/dbraw/zinc/26/39/88/634263988.db2.gz HYWGYXGAYZLECB-PGUXBMHVSA-N 0 1 281.783 3.093 20 10 CGCDMN Cc1ccc(O)c([C@H](C)N[C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000834892643 634270775 /nfs/dbraw/zinc/27/07/75/634270775.db2.gz CCKWGAXWSDNLMA-SGMGOOAPSA-N 0 1 271.364 3.254 20 10 CGCDMN CCc1nc(CN[C@@H](C)c2c(C)cc(C)cc2O)co1 ZINC000834896844 634272941 /nfs/dbraw/zinc/27/29/41/634272941.db2.gz CZCLYLJYMXCRGM-LBPRGKRZSA-N 0 1 274.364 3.410 20 10 CGCDMN CN(C)c1ccc(/C=C\CN(C)Cc2ccncc2)cc1 ZINC000835047284 634334703 /nfs/dbraw/zinc/33/47/03/634334703.db2.gz FSIJSBIQZLFRTH-PLNGDYQASA-N 0 1 281.403 3.293 20 10 CGCDMN CC[N@@H+](Cc1ccoc1)Cc1ccc(F)c(F)c1[O-] ZINC000876677589 634879593 /nfs/dbraw/zinc/87/95/93/634879593.db2.gz RXDWKENHQRQHQA-UHFFFAOYSA-N 0 1 267.275 3.286 20 10 CGCDMN CSCC[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1O ZINC000876753939 634892724 /nfs/dbraw/zinc/89/27/24/634892724.db2.gz KTUDXHANFONCIU-GFCCVEGCSA-N 0 1 253.411 3.274 20 10 CGCDMN Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c(O)c1 ZINC000877194694 635011781 /nfs/dbraw/zinc/01/17/81/635011781.db2.gz CHXZKUFMOWCPMJ-INIZCTEOSA-N 0 1 282.387 3.160 20 10 CGCDMN COCC[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000840836249 635060910 /nfs/dbraw/zinc/06/09/10/635060910.db2.gz WLVJGKRULQHRPR-QWRGUYRKSA-N 0 1 271.788 3.369 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCOCC2CC2)c(Cl)c1 ZINC000840874459 635070068 /nfs/dbraw/zinc/07/00/68/635070068.db2.gz ZRNYFGDXNFOSIU-UHFFFAOYSA-N 0 1 283.799 3.260 20 10 CGCDMN [O-]c1c(C[N@@H+](Cc2cccnc2)C2CC2)ccc(F)c1F ZINC000877529806 635073221 /nfs/dbraw/zinc/07/32/21/635073221.db2.gz ASGNQZOQSJSKAB-UHFFFAOYSA-N 0 1 290.313 3.230 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCCn2ccnc2)c(Cl)c1 ZINC000840883778 635073282 /nfs/dbraw/zinc/07/32/82/635073282.db2.gz XQIODIWKGXODEP-UHFFFAOYSA-N 0 1 293.798 3.121 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCCO2)c(Cl)c1 ZINC000840884345 635074478 /nfs/dbraw/zinc/07/44/78/635074478.db2.gz KQOZCXYIBLBEFV-LLVKDONJSA-N 0 1 269.772 3.013 20 10 CGCDMN Cc1cc(C[C@H](C)[NH2+]Cc2c([O-])cc(C)cc2Cl)[nH]n1 ZINC000840908781 635080162 /nfs/dbraw/zinc/08/01/62/635080162.db2.gz JJUKBCTYHAUJPC-JTQLQIEISA-N 0 1 293.798 3.106 20 10 CGCDMN Cc1ncsc1CN(C)Cc1ccc(N(C)C)cc1C ZINC000840914959 635081125 /nfs/dbraw/zinc/08/11/25/635081125.db2.gz WYKNAQQSJSSFIJ-UHFFFAOYSA-N 0 1 289.448 3.458 20 10 CGCDMN Cc1nc(CNCc2ccc(N(C)C)cc2C)sc1C ZINC000840934682 635084975 /nfs/dbraw/zinc/08/49/75/635084975.db2.gz VMZJLZVJARRWED-UHFFFAOYSA-N 0 1 289.448 3.424 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCOCC3(CCC3)C2)c(Cl)c1 ZINC000840939565 635086830 /nfs/dbraw/zinc/08/68/30/635086830.db2.gz NWUZZNMWNYGTQY-UHFFFAOYSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCOCC3(CCC3)C2)c(Cl)c1 ZINC000840939565 635086835 /nfs/dbraw/zinc/08/68/35/635086835.db2.gz NWUZZNMWNYGTQY-UHFFFAOYSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CCc2ccccn2)c(Cl)c1 ZINC000840939713 635087095 /nfs/dbraw/zinc/08/70/95/635087095.db2.gz OSBHVZXWKZEREO-UHFFFAOYSA-N 0 1 290.794 3.424 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CCc2ccccn2)c(Cl)c1 ZINC000840939713 635087100 /nfs/dbraw/zinc/08/71/00/635087100.db2.gz OSBHVZXWKZEREO-UHFFFAOYSA-N 0 1 290.794 3.424 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ncccc2C)c(Cl)c1 ZINC000840951568 635090682 /nfs/dbraw/zinc/09/06/82/635090682.db2.gz YUCIUYHDBNIDAV-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN CO[C@](C)([C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000840961000 635094293 /nfs/dbraw/zinc/09/42/93/635094293.db2.gz PHEOOOBOQZIEOU-MEBBXXQBSA-N 0 1 283.799 3.339 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877612251 635112232 /nfs/dbraw/zinc/11/22/32/635112232.db2.gz GEINOJMGFRWIPQ-MRVPVSSYSA-N 0 1 280.582 3.329 20 10 CGCDMN Cc1ccc(O)c(CNCc2nc(Cl)cs2)c1 ZINC000877652572 635132787 /nfs/dbraw/zinc/13/27/87/635132787.db2.gz KZVUQYMQFVPZAT-UHFFFAOYSA-N 0 1 268.769 3.100 20 10 CGCDMN COCc1ccc(CN2Cc3cccc(O)c3C2)cc1 ZINC000877703019 635153965 /nfs/dbraw/zinc/15/39/65/635153965.db2.gz OTEZPLGIERWGAY-UHFFFAOYSA-N 0 1 269.344 3.054 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877740735 635175047 /nfs/dbraw/zinc/17/50/47/635175047.db2.gz TUXNPMZQXBOZBR-GHMZBOCLSA-N 0 1 283.824 3.231 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877740735 635175050 /nfs/dbraw/zinc/17/50/50/635175050.db2.gz TUXNPMZQXBOZBR-GHMZBOCLSA-N 0 1 283.824 3.231 20 10 CGCDMN CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877796220 635206220 /nfs/dbraw/zinc/20/62/20/635206220.db2.gz ADBNDLGEXMFZMP-GFCCVEGCSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]([NH2+]CCOC1CCC1)c1ccc(Cl)cc1[O-] ZINC000841749684 635225361 /nfs/dbraw/zinc/22/53/61/635225361.db2.gz GXCBRSPZCUDJQM-JTQLQIEISA-N 0 1 269.772 3.265 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(Cl)cc1[O-] ZINC000841753763 635226598 /nfs/dbraw/zinc/22/65/98/635226598.db2.gz VTPFLPCJAWJEKJ-JQWIXIFHSA-N 0 1 267.756 3.389 20 10 CGCDMN Cc1nccnc1CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841755562 635229882 /nfs/dbraw/zinc/22/98/82/635229882.db2.gz JHLORAHZJOEOJI-JTQLQIEISA-N 0 1 291.782 3.037 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2([C@H](O)C(C)C)CC2)c(Cl)c1 ZINC000842208535 635311658 /nfs/dbraw/zinc/31/16/58/635311658.db2.gz WPKWPRZJGMEMJF-OAHLLOKOSA-N 0 1 297.826 3.241 20 10 CGCDMN CCOc1cccc(CN2CC(C)(CC(F)F)C2)c1O ZINC000843424759 635670364 /nfs/dbraw/zinc/67/03/64/635670364.db2.gz IORDHAZQXJKROA-UHFFFAOYSA-N 0 1 285.334 3.268 20 10 CGCDMN CCn1ccnc1[C@H](C)N[C@@H](C)c1cccc(OC)c1O ZINC000846168635 636152207 /nfs/dbraw/zinc/15/22/07/636152207.db2.gz LFWAZQKYZUHWIP-RYUDHWBXSA-N 0 1 289.379 3.029 20 10 CGCDMN CCOCC[N@H+](CC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000107062167 636425775 /nfs/dbraw/zinc/42/57/75/636425775.db2.gz NTFMSJJHOAJAMJ-UHFFFAOYSA-N 0 1 299.798 3.107 20 10 CGCDMN CCOCC[N@@H+](CC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000107062167 636425779 /nfs/dbraw/zinc/42/57/79/636425779.db2.gz NTFMSJJHOAJAMJ-UHFFFAOYSA-N 0 1 299.798 3.107 20 10 CGCDMN CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000883272272 636643233 /nfs/dbraw/zinc/64/32/33/636643233.db2.gz INTQZDARWXWLKN-CKYFFXLPSA-N 0 1 269.772 3.121 20 10 CGCDMN C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1cc(F)ccc1[O-] ZINC000883381923 636725195 /nfs/dbraw/zinc/72/51/95/636725195.db2.gz WDSVZPMGUJMXDL-LLVKDONJSA-N 0 1 279.355 3.141 20 10 CGCDMN COc1cccc(C[N@@H+](C)[C@H](C)C(C)(C)C)c1O ZINC000132568482 636820413 /nfs/dbraw/zinc/82/04/13/636820413.db2.gz VSBJZPULEQAVDP-LLVKDONJSA-N 0 1 251.370 3.267 20 10 CGCDMN C[C@@H]([NH2+]CCCF)c1ccc(Br)cc1[O-] ZINC000134936075 637053718 /nfs/dbraw/zinc/05/37/18/637053718.db2.gz TWYTVDPVTOROCB-MRVPVSSYSA-N 0 1 276.149 3.165 20 10 CGCDMN C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc2ccccc2c1[O-] ZINC000850516954 637100493 /nfs/dbraw/zinc/10/04/93/637100493.db2.gz ZWQGJQJVOYLNCF-STQMWFEESA-N 0 1 285.387 3.357 20 10 CGCDMN COc1ccnc(CN[C@H](C)c2ccc(C)cc2O)c1F ZINC000850538298 637113766 /nfs/dbraw/zinc/11/37/66/637113766.db2.gz YBHYGSZKTVUBHS-LLVKDONJSA-N 0 1 290.338 3.094 20 10 CGCDMN C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000858548086 638759348 /nfs/dbraw/zinc/75/93/48/638759348.db2.gz QVLGLPCQEFJOEZ-TURKWSHLSA-N 0 1 281.783 3.264 20 10 CGCDMN CN(C)c1ccc(CN2CCc3c(O)cccc3C2)cc1 ZINC000859946622 639259070 /nfs/dbraw/zinc/25/90/70/639259070.db2.gz LJMZNZHFUQFAQP-UHFFFAOYSA-N 0 1 282.387 3.017 20 10 CGCDMN CCOc1ccc(O)c(CN(C)Cc2c(C)noc2C)c1 ZINC000091812827 640723705 /nfs/dbraw/zinc/72/37/05/640723705.db2.gz SNAXVQNFIHAJRZ-UHFFFAOYSA-N 0 1 290.363 3.028 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])Cc1ccccc1O ZINC000091956761 640728177 /nfs/dbraw/zinc/72/81/77/640728177.db2.gz NTBDRKNENSDLTD-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])Cc1ccccc1O ZINC000091956761 640728178 /nfs/dbraw/zinc/72/81/78/640728178.db2.gz NTBDRKNENSDLTD-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN CSc1ccc2nc(-c3cc(O)c(O)cc3O)[nH]c2c1 ZINC001251355444 805886097 /nfs/dbraw/zinc/88/60/97/805886097.db2.gz LMRQTLIEFJBDNR-UHFFFAOYSA-N 0 1 288.328 3.069 20 10 CGCDMN CCC[C@H](C)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037328806 798865940 /nfs/dbraw/zinc/86/59/40/798865940.db2.gz DNNWEUMHDKGFAS-JTQLQIEISA-N 0 1 267.344 3.354 20 10 CGCDMN COC[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000091862312 798954814 /nfs/dbraw/zinc/95/48/14/798954814.db2.gz OFASSZNOXWRUIA-LLVKDONJSA-N 0 1 290.190 3.310 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCSCC[C@H]2C)c1O ZINC000385645371 799427423 /nfs/dbraw/zinc/42/74/23/799427423.db2.gz DCRYWIDNYONVAA-SNVBAGLBSA-N 0 1 297.395 3.061 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCSCC[C@H]2C)c1[O-] ZINC000385645371 799427424 /nfs/dbraw/zinc/42/74/24/799427424.db2.gz DCRYWIDNYONVAA-SNVBAGLBSA-N 0 1 297.395 3.061 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCSCC[C@H]2C)c1[O-] ZINC000385645371 799427425 /nfs/dbraw/zinc/42/74/25/799427425.db2.gz DCRYWIDNYONVAA-SNVBAGLBSA-N 0 1 297.395 3.061 20 10 CGCDMN CC(=O)c1cc(F)cc(CN2CCSCC[C@H]2C)c1O ZINC000385645371 799427427 /nfs/dbraw/zinc/42/74/27/799427427.db2.gz DCRYWIDNYONVAA-SNVBAGLBSA-N 0 1 297.395 3.061 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])[C@@H](C)O ZINC000386713548 799439233 /nfs/dbraw/zinc/43/92/33/799439233.db2.gz QCCUKVLTPMUJDV-HSMVNMDESA-N 0 1 273.376 3.355 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc2ccccc2c1[O-] ZINC000393971381 799491990 /nfs/dbraw/zinc/49/19/90/799491990.db2.gz MTSDLHLLAXUCDM-NEPJUHHUSA-N 0 1 273.376 3.355 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H](CC)CO1 ZINC000403891380 799571898 /nfs/dbraw/zinc/57/18/98/799571898.db2.gz WZFOLKDVBCXFAO-CHWSQXEVSA-N 0 1 283.799 3.435 20 10 CGCDMN CCCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691393590 799783439 /nfs/dbraw/zinc/78/34/39/799783439.db2.gz UYAQWXPGLHHRPF-UHFFFAOYSA-N 0 1 258.159 3.044 20 10 CGCDMN CC(C)([NH2+]Cc1ccc(Br)cc1[O-])C1CC1 ZINC000691429696 799784287 /nfs/dbraw/zinc/78/42/87/799784287.db2.gz VSAXUEKRIMIIKX-UHFFFAOYSA-N 0 1 284.197 3.433 20 10 CGCDMN CCC1([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000691487853 799785182 /nfs/dbraw/zinc/78/51/82/799785182.db2.gz LJCUNDJHAKCVQR-UHFFFAOYSA-N 0 1 270.170 3.187 20 10 CGCDMN Cc1cn(C)nc1NCc1cc(Cl)cc(Cl)c1O ZINC000697693271 799848729 /nfs/dbraw/zinc/84/87/29/799848729.db2.gz GVUPVCJSDHXCLR-UHFFFAOYSA-N 0 1 286.162 3.353 20 10 CGCDMN C[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000700863467 799882243 /nfs/dbraw/zinc/88/22/43/799882243.db2.gz SALHYHPZGQDYLA-VIFPVBQESA-N 0 1 270.170 3.139 20 10 CGCDMN C[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000700863467 799882249 /nfs/dbraw/zinc/88/22/49/799882249.db2.gz SALHYHPZGQDYLA-VIFPVBQESA-N 0 1 270.170 3.139 20 10 CGCDMN CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000701660294 799890601 /nfs/dbraw/zinc/89/06/01/799890601.db2.gz BSBHUNLGPAEXPO-LLVKDONJSA-N 0 1 290.190 3.310 20 10 CGCDMN CC1CC(C[NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706824778 799967835 /nfs/dbraw/zinc/96/78/35/799967835.db2.gz BMWQVHVBEZKHTA-UHFFFAOYSA-N 0 1 284.197 3.290 20 10 CGCDMN CC(C)(C)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000709000231 800000368 /nfs/dbraw/zinc/00/03/68/800000368.db2.gz LVCRJGBWXBDFDN-ZDUSSCGKSA-N 0 1 283.799 3.293 20 10 CGCDMN Cc1ccc(O)c(CNCc2nc3c(s2)CCCC3)c1 ZINC000719527363 800240605 /nfs/dbraw/zinc/24/06/05/800240605.db2.gz HRYDEUWUKILYDS-UHFFFAOYSA-N 0 1 288.416 3.326 20 10 CGCDMN Cc1ccc(O)c([C@@H](C)NCc2nc3c(s2)CCC3)c1 ZINC000719571590 800243327 /nfs/dbraw/zinc/24/33/27/800243327.db2.gz TTWPGBRDLCLAGW-LLVKDONJSA-N 0 1 288.416 3.497 20 10 CGCDMN Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H]1CCn2ccnc21 ZINC001117831311 802505498 /nfs/dbraw/zinc/50/54/98/802505498.db2.gz MGAOOVGHIBQNPL-FRRDWIJNSA-N 0 1 283.375 3.180 20 10 CGCDMN CCN(Cc1cn2c(cccc2C)n1)Cc1ccccc1O ZINC001137301504 803712521 /nfs/dbraw/zinc/71/25/21/803712521.db2.gz NLDCWYNTWKMLAY-UHFFFAOYSA-N 0 1 295.386 3.370 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001137837505 803779303 /nfs/dbraw/zinc/77/93/03/803779303.db2.gz JMOJICPYICSGDN-AWEZNQCLSA-N 0 1 287.334 3.185 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC2(CCCC2)C1 ZINC001139684442 804252400 /nfs/dbraw/zinc/25/24/00/804252400.db2.gz UQSYRSURYAJMGX-UHFFFAOYSA-N 0 1 267.319 3.437 20 10 CGCDMN CCN(Cc1ccccc1O)Cc1cc(O)ccc1F ZINC001140051742 804359753 /nfs/dbraw/zinc/35/97/53/804359753.db2.gz RDAAWUJRGGZZQT-UHFFFAOYSA-N 0 1 275.323 3.259 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001140339417 804419745 /nfs/dbraw/zinc/41/97/45/804419745.db2.gz UUYFZWWXVYNSJS-NHYWBVRUSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001140339417 804419748 /nfs/dbraw/zinc/41/97/48/804419748.db2.gz UUYFZWWXVYNSJS-NHYWBVRUSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(F)(F)CC1 ZINC001140461850 804441113 /nfs/dbraw/zinc/44/11/13/804441113.db2.gz VSKFEYSKGDBAAY-UHFFFAOYSA-N 0 1 261.699 3.277 20 10 CGCDMN Oc1cc(Cl)ccc1CN1CCC(F)(F)CC1 ZINC001140461850 804441114 /nfs/dbraw/zinc/44/11/14/804441114.db2.gz VSKFEYSKGDBAAY-UHFFFAOYSA-N 0 1 261.699 3.277 20 10 CGCDMN CO[C@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]21 ZINC001140465116 804442820 /nfs/dbraw/zinc/44/28/20/804442820.db2.gz IMUMUTKHDFMCJG-WPGHFRTFSA-N 0 1 295.810 3.293 20 10 CGCDMN CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[O-])C[C@@H]21 ZINC001140465116 804442825 /nfs/dbraw/zinc/44/28/25/804442825.db2.gz IMUMUTKHDFMCJG-WPGHFRTFSA-N 0 1 295.810 3.293 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])[C@@H](C)C1 ZINC001140468601 804443059 /nfs/dbraw/zinc/44/30/59/804443059.db2.gz QGULFBUZMXDUMM-GWCFXTLKSA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])[C@@H](C)C1 ZINC001140468601 804443063 /nfs/dbraw/zinc/44/30/63/804443063.db2.gz QGULFBUZMXDUMM-GWCFXTLKSA-N 0 1 269.772 3.045 20 10 CGCDMN C[N@@H+](CCc1cccc(F)c1)Cc1c([O-])cc(F)cc1F ZINC001140585713 804468847 /nfs/dbraw/zinc/46/88/47/804468847.db2.gz RRLNQFKMOCBKHW-UHFFFAOYSA-N 0 1 295.304 3.484 20 10 CGCDMN CN(C)c1ccc(CN2CC[C@]3(CCCO3)C2)c(Cl)c1 ZINC001140922621 804549159 /nfs/dbraw/zinc/54/91/59/804549159.db2.gz WSVPXTHWGJKILA-MRXNPFEDSA-N 0 1 294.826 3.161 20 10 CGCDMN F[C@@H]1CCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075887 804585194 /nfs/dbraw/zinc/58/51/94/804585194.db2.gz FIUPNHBPCVGFKO-QGZVFWFLSA-N 0 1 288.410 3.319 20 10 CGCDMN CCC[N@H+](Cc1cc(F)c(F)cc1[O-])CC1CC1 ZINC001142501808 804726486 /nfs/dbraw/zinc/72/64/86/804726486.db2.gz AVTDJABFEQBRCU-UHFFFAOYSA-N 0 1 255.308 3.292 20 10 CGCDMN C[C@]1(F)CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142509015 804727466 /nfs/dbraw/zinc/72/74/66/804727466.db2.gz TUQAYRKSFVMZPU-AWEZNQCLSA-N 0 1 273.298 3.385 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC001142509167 804729269 /nfs/dbraw/zinc/72/92/69/804729269.db2.gz ZHMWGZNQLQVOMA-UHFFFAOYSA-N 0 1 277.261 3.292 20 10 CGCDMN C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248879548 805031827 /nfs/dbraw/zinc/03/18/27/805031827.db2.gz BQYBHYPRXXEQSH-ZYHUDNBSSA-N 0 1 297.826 3.298 20 10 CGCDMN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248879548 805031836 /nfs/dbraw/zinc/03/18/36/805031836.db2.gz BQYBHYPRXXEQSH-ZYHUDNBSSA-N 0 1 297.826 3.298 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167910954 807272283 /nfs/dbraw/zinc/27/22/83/807272283.db2.gz XLPAQAIEFZYYPW-GDGBQDQQSA-N 0 1 282.181 3.043 20 10 CGCDMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001181544686 810059293 /nfs/dbraw/zinc/05/92/93/810059293.db2.gz VWEDHCMPEZICOE-KOLCDFICSA-N 0 1 255.308 3.433 20 10 CGCDMN O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC001203561365 812392932 /nfs/dbraw/zinc/39/29/32/812392932.db2.gz SOVLWPBHSDPXJT-INIZCTEOSA-N 0 1 281.355 3.097 20 10 CGCDMN C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])CC[C@@]1(C)O ZINC001203651777 812416141 /nfs/dbraw/zinc/41/61/41/812416141.db2.gz UOYGQOCHHIBVRJ-XHDPSFHLSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])CC[C@@]1(C)O ZINC001203651777 812416147 /nfs/dbraw/zinc/41/61/47/812416147.db2.gz UOYGQOCHHIBVRJ-XHDPSFHLSA-N 0 1 283.799 3.029 20 10 CGCDMN Oc1ccc(Cl)cc1CN1CC2(C1)C[C@@H](F)CS2 ZINC001203664180 812421991 /nfs/dbraw/zinc/42/19/91/812421991.db2.gz PXYNIRVZHYDCMN-LLVKDONJSA-N 0 1 287.787 3.075 20 10 CGCDMN COc1ccccc1[C@H](C)N(C)Cc1ccc(O)c(O)c1 ZINC001203878461 812478995 /nfs/dbraw/zinc/47/89/95/812478995.db2.gz AENRJULDSRSZFO-LBPRGKRZSA-N 0 1 287.359 3.299 20 10 CGCDMN Oc1ccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c(O)c1 ZINC001204281563 812596805 /nfs/dbraw/zinc/59/68/05/812596805.db2.gz WEAWCUXCCFQJAQ-UHFFFAOYSA-N 0 1 279.355 3.202 20 10 CGCDMN CC[C@@H]1CO[C@H](C)CN1C/C=C\c1ccc(N(C)C)cc1 ZINC001205178580 812900319 /nfs/dbraw/zinc/90/03/19/812900319.db2.gz XCJIOPMNUNMOGU-IKJDWHLJSA-N 0 1 288.435 3.265 20 10 CGCDMN COc1ccc(N(C)Cc2ccc(F)c(F)c2O)cc1F ZINC001205360283 812972079 /nfs/dbraw/zinc/97/20/79/812972079.db2.gz RHBVGKFMPUBIGJ-UHFFFAOYSA-N 0 1 297.276 3.455 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001206205918 813240287 /nfs/dbraw/zinc/24/02/87/813240287.db2.gz STVUBZIKJQMPGR-MNOVXSKESA-N 0 1 273.710 3.133 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001206205918 813240291 /nfs/dbraw/zinc/24/02/91/813240291.db2.gz STVUBZIKJQMPGR-MNOVXSKESA-N 0 1 273.710 3.133 20 10 CGCDMN Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(O)c1 ZINC001206516934 813338786 /nfs/dbraw/zinc/33/87/86/813338786.db2.gz HWKPMXXQAJHWQS-UHFFFAOYSA-N 0 1 277.751 3.349 20 10 CGCDMN Cc1ccc(CNCc2noc3ccc(F)cc32)c(O)c1 ZINC001207208643 813515027 /nfs/dbraw/zinc/51/50/27/813515027.db2.gz IGNWWRURBNHFIS-UHFFFAOYSA-N 0 1 286.306 3.271 20 10 CGCDMN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C1CCCCC1 ZINC001231559323 818124176 /nfs/dbraw/zinc/12/41/76/818124176.db2.gz ALWQEFFOGYBBQF-UHFFFAOYSA-N 0 1 277.364 3.245 20 10 CGCDMN O=C1CCN(Cc2c(O)ccc3ccccc32)CC[C@H]1F ZINC001231587933 818129928 /nfs/dbraw/zinc/12/99/28/818129928.db2.gz JNTVPSRNGPXSEW-OAHLLOKOSA-N 0 1 287.334 3.048 20 10 CGCDMN Cc1cc(O)c(CN(C)Cc2cnc(C)nc2)cc1Cl ZINC001231870097 818193772 /nfs/dbraw/zinc/19/37/72/818193772.db2.gz JGFCJSHUOOXXNH-UHFFFAOYSA-N 0 1 291.782 3.084 20 10 CGCDMN Oc1c(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)ccc2ccccc21 ZINC001231880319 818199860 /nfs/dbraw/zinc/19/98/60/818199860.db2.gz BSRNALFVSUPOKT-RHSMWYFYSA-N 0 1 283.371 3.156 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)ccc2ccccc21 ZINC001231880319 818199864 /nfs/dbraw/zinc/19/98/64/818199864.db2.gz BSRNALFVSUPOKT-RHSMWYFYSA-N 0 1 283.371 3.156 20 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KTFZQOKNHWTQDQ-UHFFFAOYSA-N 0 1 269.772 3.429 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCCC2(C)C)cc1Cl ZINC001232266245 818298557 /nfs/dbraw/zinc/29/85/57/818298557.db2.gz KTFZQOKNHWTQDQ-UHFFFAOYSA-N 0 1 269.772 3.429 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCCC2(C)C)cc1Cl ZINC001232266245 818298564 /nfs/dbraw/zinc/29/85/64/818298564.db2.gz KTFZQOKNHWTQDQ-UHFFFAOYSA-N 0 1 269.772 3.429 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CC[C@H](OC)C[C@@H]2C)cc1Cl ZINC001232271133 818300200 /nfs/dbraw/zinc/30/02/00/818300200.db2.gz NZAWNJZBPIWYBO-JQWIXIFHSA-N 0 1 299.798 3.054 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)cc1Cl ZINC001232271133 818300206 /nfs/dbraw/zinc/30/02/06/818300206.db2.gz NZAWNJZBPIWYBO-JQWIXIFHSA-N 0 1 299.798 3.054 20 10 CGCDMN CC(C)(C)c1ccc(O)c(CN2CCCC(=O)CC2)c1 ZINC001233284101 818566023 /nfs/dbraw/zinc/56/60/23/818566023.db2.gz IJEFRFJQVGJGEZ-UHFFFAOYSA-N 0 1 275.392 3.245 20 10 CGCDMN C[C@@H]1CN(Cc2cc(C(C)(C)C)ccc2O)[C@@H](C)CO1 ZINC001233287093 818567529 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CGCDMN Cc1cc(F)ccc1N1CCN(Cc2ccc(N)cc2)CC1 ZINC001236154834 819348971 /nfs/dbraw/zinc/34/89/71/819348971.db2.gz UNESEOSSCZRYAD-UHFFFAOYSA-N 0 1 299.393 3.039 20 10 CGCDMN CCc1ccc(CN2CC[C@@](C)(F)[C@@H](F)C2)c(O)c1 ZINC001236783900 819593239 /nfs/dbraw/zinc/59/32/39/819593239.db2.gz PNWLEEMILXTQLF-LSDHHAIUSA-N 0 1 269.335 3.227 20 10 CGCDMN COc1ccc(C[N@@H+](C)C2CCCC2)c([O-])c1Cl ZINC001236808535 819602366 /nfs/dbraw/zinc/60/23/66/819602366.db2.gz CZPMLNUZJKDQPO-UHFFFAOYSA-N 0 1 269.772 3.429 20 10 CGCDMN Cc1ccn2cc(CN(C)Cc3c(C)cccc3O)nc2c1 ZINC001237494903 819763825 /nfs/dbraw/zinc/76/38/25/819763825.db2.gz MPPKNYFSCZQEPI-UHFFFAOYSA-N 0 1 295.386 3.289 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001237623387 819788929 /nfs/dbraw/zinc/78/89/29/819788929.db2.gz MKSRXKBCNNINGJ-QPUJVOFHSA-N 0 1 255.720 3.169 20 10 CGCDMN C[C@H]1C[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3[O-])CC[C@H]2O1 ZINC001237800250 819845683 /nfs/dbraw/zinc/84/56/83/819845683.db2.gz NJJFNSHGEIONPI-PKFCDNJMSA-N 0 1 299.773 3.184 20 10 CGCDMN CCCCOC1CN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001237811526 819848737 /nfs/dbraw/zinc/84/87/37/819848737.db2.gz AIEMEVRDEOUJIZ-UHFFFAOYSA-N 0 1 287.762 3.186 20 10 CGCDMN CC1CC([N@@H+](C)Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237934115 819885413 /nfs/dbraw/zinc/88/54/13/819885413.db2.gz HIKPTRVKJGTSOB-UHFFFAOYSA-N 0 1 257.736 3.415 20 10 CGCDMN COc1ccccc1C[N@@H+](C)Cc1cc(F)cc(C)c1O ZINC001238059827 819921529 /nfs/dbraw/zinc/92/15/29/819921529.db2.gz DTZVVAGBHZIECL-UHFFFAOYSA-N 0 1 289.350 3.480 20 10 CGCDMN COc1ccccc1CN(C)Cc1cc(F)cc(C)c1O ZINC001238059827 819921537 /nfs/dbraw/zinc/92/15/37/819921537.db2.gz DTZVVAGBHZIECL-UHFFFAOYSA-N 0 1 289.350 3.480 20 10 CGCDMN Cn1ccc2c1ccnc2-c1cnc2c(ccn2C)c1 ZINC001240822716 821356664 /nfs/dbraw/zinc/35/66/64/821356664.db2.gz WJWPZGSWJCQCCN-UHFFFAOYSA-N 0 1 262.316 3.127 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCSCC1 ZINC000692417794 926807880 /nfs/dbraw/zinc/80/78/80/926807880.db2.gz CQHMZQSPBUMXRI-LBPRGKRZSA-N 0 1 271.813 3.421 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2C[C@H](C)[C@H](C)C2)c(Cl)c1 ZINC001560687314 937234295 /nfs/dbraw/zinc/23/42/95/937234295.db2.gz JWXYEKQUWOAPCZ-PHIMTYICSA-N 0 1 253.773 3.442 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)[C@H](C)C2)c(Cl)c1 ZINC001560687314 937234298 /nfs/dbraw/zinc/23/42/98/937234298.db2.gz JWXYEKQUWOAPCZ-PHIMTYICSA-N 0 1 253.773 3.442 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])CC12CC(C)(C1)OC2 ZINC001459552742 937491655 /nfs/dbraw/zinc/49/16/55/937491655.db2.gz CVVZQBSADVWCGM-UHFFFAOYSA-N 0 1 275.392 3.173 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])CC12CC(C)(C1)OC2 ZINC001459552742 937491657 /nfs/dbraw/zinc/49/16/57/937491657.db2.gz CVVZQBSADVWCGM-UHFFFAOYSA-N 0 1 275.392 3.173 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H](CC(C)C)N(C)C)c(Cl)c1 ZINC001461032958 937560727 /nfs/dbraw/zinc/56/07/27/937560727.db2.gz SBKJRCSUJRZRLG-ZDUSSCGKSA-N 0 1 298.858 3.420 20 10 CGCDMN CC[C@@H](C)Oc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O ZINC001229192646 932113430 /nfs/dbraw/zinc/11/34/30/932113430.db2.gz RIJWSZHHSCYMIP-SNVBAGLBSA-N 0 1 296.322 3.345 20 10 CGCDMN CCNc1ccccc1C[N@@H+](C)Cc1ccccc1O ZINC001461963374 937609136 /nfs/dbraw/zinc/60/91/36/937609136.db2.gz FZFPCJWDOSCVQS-UHFFFAOYSA-N 0 1 270.376 3.456 20 10 CGCDMN C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)cc1[O-] ZINC001462213795 937625716 /nfs/dbraw/zinc/62/57/16/937625716.db2.gz CLMCCMCRTOSTSX-DOMZBBRYSA-N 0 1 294.826 3.104 20 10 CGCDMN Cc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])nc1 ZINC001462182045 937623178 /nfs/dbraw/zinc/62/31/78/937623178.db2.gz SUGCUCHJYNRUGY-UHFFFAOYSA-N 0 1 278.302 3.006 20 10 CGCDMN CCn1cc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[O-])cn1 ZINC001462257304 937628022 /nfs/dbraw/zinc/62/80/22/937628022.db2.gz ZOQZYUDKHYYWIG-SNVBAGLBSA-N 0 1 279.771 3.113 20 10 CGCDMN Cc1ccc2c(c1)OCCN2Cc1ccc(F)c(F)c1O ZINC001474421790 937858756 /nfs/dbraw/zinc/85/87/56/937858756.db2.gz GFCLXPIAFFUVGA-UHFFFAOYSA-N 0 1 291.297 3.378 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H](CO)CC(C)C)cc1Cl ZINC001474504103 937863588 /nfs/dbraw/zinc/86/35/88/937863588.db2.gz ATONVZOZEKLWSB-ZDUSSCGKSA-N 0 1 285.815 3.193 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)[C@H](CO)CC(C)C)cc1Cl ZINC001474504103 937863590 /nfs/dbraw/zinc/86/35/90/937863590.db2.gz ATONVZOZEKLWSB-ZDUSSCGKSA-N 0 1 285.815 3.193 20 10 CGCDMN CN(Cc1ccc(F)c(F)c1O)c1cccc(O)c1 ZINC001474627649 937871664 /nfs/dbraw/zinc/87/16/64/937871664.db2.gz ROMPUXOXQFXNIW-UHFFFAOYSA-N 0 1 265.259 3.012 20 10 CGCDMN OCc1ccnc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC001560510897 938260890 /nfs/dbraw/zinc/26/08/90/938260890.db2.gz PPTYDZGXFBJANC-UHFFFAOYSA-N 0 1 299.157 3.198 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](CCO)CC(C)(C)C)cc1Cl ZINC001560654363 938268264 /nfs/dbraw/zinc/26/82/64/938268264.db2.gz LQKDTIQTKKSFNA-UHFFFAOYSA-N 0 1 285.815 3.194 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](CCO)CC(C)(C)C)cc1Cl ZINC001560654363 938268266 /nfs/dbraw/zinc/26/82/66/938268266.db2.gz LQKDTIQTKKSFNA-UHFFFAOYSA-N 0 1 285.815 3.194 20 10 CGCDMN CCOC(=O)[C@H]1CCCN1Cc1cc(C(C)C)ccc1O ZINC001560773513 938275033 /nfs/dbraw/zinc/27/50/33/938275033.db2.gz CTDQYKRXZLFGFA-OAHLLOKOSA-N 0 1 291.391 3.043 20 10 CGCDMN CCOC[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])C(C)C ZINC001560802492 938276613 /nfs/dbraw/zinc/27/66/13/938276613.db2.gz WMKASUFSUVBLNZ-CYBMUJFWSA-N 0 1 271.788 3.196 20 10 CGCDMN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1cnc[nH]1 ZINC001560895277 938282448 /nfs/dbraw/zinc/28/24/48/938282448.db2.gz KYEZDMDBRGKASL-CQSZACIVSA-N 0 1 285.391 3.253 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093505984 370137466 /nfs/dbraw/zinc/13/74/66/370137466.db2.gz BZOSRLXSFJAAGB-ABAIWWIYSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093505984 370137469 /nfs/dbraw/zinc/13/74/69/370137469.db2.gz BZOSRLXSFJAAGB-ABAIWWIYSA-N 0 1 281.783 3.047 20 10 CGCDMN COCCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000134040855 371298630 /nfs/dbraw/zinc/29/86/30/371298630.db2.gz BPPUXXYPSWOIAN-UHFFFAOYSA-N 0 1 278.179 3.167 20 10 CGCDMN CSC[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134922549 371375020 /nfs/dbraw/zinc/37/50/20/371375020.db2.gz FBUMNEKWCVHSNW-DTWKUNHWSA-N 0 1 259.802 3.448 20 10 CGCDMN CC(C)[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000294142268 372592940 /nfs/dbraw/zinc/59/29/40/372592940.db2.gz UYHBHIYGKXQAMW-CQSZACIVSA-N 0 1 283.799 3.293 20 10 CGCDMN C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000296653801 373208190 /nfs/dbraw/zinc/20/81/90/373208190.db2.gz ZCHMADLPBSYMOO-ZJUUUORDSA-N 0 1 271.788 3.246 20 10 CGCDMN CC[NH+](CC)C[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000180486702 374014458 /nfs/dbraw/zinc/01/44/58/374014458.db2.gz WMVDWTAZAHPVQT-ZDUSSCGKSA-N 0 1 296.842 3.209 20 10 CGCDMN Cc1cccc(CN(C)Cc2cc(Cl)cn2C)c1O ZINC000180709371 374038068 /nfs/dbraw/zinc/03/80/68/374038068.db2.gz OKZNCFPMQUUWBG-UHFFFAOYSA-N 0 1 278.783 3.325 20 10 CGCDMN Cc1ccc2c(c1)nc(CNCc1cccc(C)c1O)n2C ZINC000187577222 375046706 /nfs/dbraw/zinc/04/67/06/375046706.db2.gz GMAOPPZHKGEZNQ-UHFFFAOYSA-N 0 1 295.386 3.186 20 10 CGCDMN C[N@@H+](CCc1cccs1)Cc1cccc(F)c1[O-] ZINC000272230437 378591215 /nfs/dbraw/zinc/59/12/15/378591215.db2.gz DQLGREASXPJZDD-UHFFFAOYSA-N 0 1 265.353 3.267 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000272237537 378592954 /nfs/dbraw/zinc/59/29/54/378592954.db2.gz FTQCZMQBFYSFIZ-UHFFFAOYSA-N 0 1 279.355 3.066 20 10 CGCDMN Cc1ccc([C@@H](C)NCc2cn3ccsc3n2)c(O)c1 ZINC000273386046 378743553 /nfs/dbraw/zinc/74/35/53/378743553.db2.gz JPNWUDFKMZYUTA-LLVKDONJSA-N 0 1 287.388 3.261 20 10 CGCDMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000273426471 378745625 /nfs/dbraw/zinc/74/56/25/378745625.db2.gz RZDUYXCMTKYWCR-NSHDSACASA-N 0 1 260.312 3.119 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cnn(C)c1 ZINC000273551313 378751900 /nfs/dbraw/zinc/75/19/00/378751900.db2.gz GBUKKXNNJRXSJO-ZJUUUORDSA-N 0 1 279.771 3.191 20 10 CGCDMN CC[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CCCO1 ZINC000281111649 379817789 /nfs/dbraw/zinc/81/77/89/379817789.db2.gz BHTWSSDKEXZSRU-LLVKDONJSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CCCO1 ZINC000281111649 379817795 /nfs/dbraw/zinc/81/77/95/379817795.db2.gz BHTWSSDKEXZSRU-LLVKDONJSA-N 0 1 269.772 3.047 20 10 CGCDMN Cc1noc(C)c1C(C)(C)NCc1ccc2c(c1)CCO2 ZINC000285377763 380148655 /nfs/dbraw/zinc/14/86/55/380148655.db2.gz CJYDCTHIIKAGMS-UHFFFAOYSA-N 0 1 286.375 3.251 20 10 CGCDMN Cn1ccc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000037560989 173271076 /nfs/dbraw/zinc/27/10/76/173271076.db2.gz XAOXEJZRJZLLGQ-UHFFFAOYSA-N 0 1 272.135 3.045 20 10 CGCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000092195436 260267748 /nfs/dbraw/zinc/26/77/48/260267748.db2.gz XRLHPCXKIHSMFZ-GFCCVEGCSA-N 0 1 273.355 3.138 20 10 CGCDMN COc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])ccn1 ZINC000184973909 262035943 /nfs/dbraw/zinc/03/59/43/262035943.db2.gz CTGLQJAOQOWHNI-SNVBAGLBSA-N 0 1 292.766 3.300 20 10 CGCDMN C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186512076 262096470 /nfs/dbraw/zinc/09/64/70/262096470.db2.gz OUOXLDQVJZESJJ-KJDJKKKBSA-N 0 1 269.772 3.023 20 10 CGCDMN CC1(C)[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@@H]2CCCO[C@H]21 ZINC000371798654 262157157 /nfs/dbraw/zinc/15/71/57/262157157.db2.gz CNYMNTFQZKTWLM-NWANDNLSSA-N 0 1 295.810 3.339 20 10 CGCDMN CO[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000378631400 329057169 /nfs/dbraw/zinc/05/71/69/329057169.db2.gz GYYMLDIINPQRDU-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000378631400 329057171 /nfs/dbraw/zinc/05/71/71/329057171.db2.gz GYYMLDIINPQRDU-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCCOC2)cc1Cl ZINC000529637215 328592135 /nfs/dbraw/zinc/59/21/35/328592135.db2.gz PTASXIZIBNJKBI-LBPRGKRZSA-N 0 1 283.799 3.260 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527805260 330284388 /nfs/dbraw/zinc/28/43/88/330284388.db2.gz FYYJSLFHXLWEQF-OAHLLOKOSA-N 0 1 294.826 3.152 20 10 CGCDMN Cc1ccc(O)c(CN[C@@H](C)c2ncccc2F)c1 ZINC000527827077 330286698 /nfs/dbraw/zinc/28/66/98/330286698.db2.gz ZOWCFNHGUZOZFW-NSHDSACASA-N 0 1 260.312 3.086 20 10 CGCDMN CC[C@H]([NH2+]CC12CC(C1)CO2)c1cc(Cl)ccc1[O-] ZINC000527981988 330298284 /nfs/dbraw/zinc/29/82/84/330298284.db2.gz PNZPXSMMDQIUAK-IQYSWEBNSA-N 0 1 281.783 3.265 20 10 CGCDMN CC(F)(F)CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000294130264 520166812 /nfs/dbraw/zinc/16/68/12/520166812.db2.gz FLMXQRIUGJMFKQ-UHFFFAOYSA-N 0 1 294.139 3.290 20 10 CGCDMN CCc1noc(C)c1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000274818274 522845508 /nfs/dbraw/zinc/84/55/08/522845508.db2.gz ASXBKRKNUSUKNR-LBPRGKRZSA-N 0 1 287.407 3.462 20 10 CGCDMN CCc1nocc1C[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293520528 522931026 /nfs/dbraw/zinc/93/10/26/522931026.db2.gz AXYXOXLDXGVCMS-UHFFFAOYSA-N 0 1 298.745 3.367 20 10 CGCDMN COc1ccc(O)c(CN2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000366554473 524737178 /nfs/dbraw/zinc/73/71/78/524737178.db2.gz LVBPZPDRJNAPBT-KRWDZBQOSA-N 0 1 298.386 3.379 20 10 CGCDMN CS[C@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134937511 525886326 /nfs/dbraw/zinc/88/63/26/525886326.db2.gz SULJUKLYSYLUPA-RKDXNWHRSA-N 0 1 259.802 3.448 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC3CCC2CC3)c1[O-] ZINC000378383575 527208862 /nfs/dbraw/zinc/20/88/62/527208862.db2.gz KGZBYHJVTCCPSX-UHFFFAOYSA-N 0 1 277.339 3.108 20 10 CGCDMN COc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1O ZINC000733327157 572556624 /nfs/dbraw/zinc/55/66/24/572556624.db2.gz MKTZHIVOKAFTRL-UHFFFAOYSA-N 0 1 293.750 3.050 20 10 CGCDMN CC(C)[N@@H+](CC(=O)[O-])Cc1cc(-c2ccccc2)ccc1O ZINC000833497292 604557884 /nfs/dbraw/zinc/55/78/84/604557884.db2.gz BOEWXSSBJOKCIZ-UHFFFAOYSA-N 0 1 299.370 3.354 20 10 CGCDMN CCOc1cccc(CN[C@H](C)c2nc(C)cs2)c1O ZINC000069168288 617935991 /nfs/dbraw/zinc/93/59/91/617935991.db2.gz BIRAKVBXFQKDNQ-LLVKDONJSA-N 0 1 292.404 3.407 20 10 CGCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCCCC1 ZINC000083552076 618009633 /nfs/dbraw/zinc/00/96/33/618009633.db2.gz RDLFAMZPVYKXHF-GFCCVEGCSA-N 0 1 282.815 3.010 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2cnn(C3CCC3)c2)cc1 ZINC000891396713 618184803 /nfs/dbraw/zinc/18/48/03/618184803.db2.gz CPWSJFXFKQKDRY-UHFFFAOYSA-N 0 1 298.434 3.306 20 10 CGCDMN CN(Cc1cc(F)c(F)c(F)c1)Cc1ccccc1O ZINC000120053546 618611332 /nfs/dbraw/zinc/61/13/32/618611332.db2.gz FJUDBPFHWQRUSO-UHFFFAOYSA-N 0 1 281.277 3.442 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCOCC(F)(F)F)c(Cl)c1 ZINC000840873367 618740042 /nfs/dbraw/zinc/74/00/42/618740042.db2.gz TZLLZYTUONYYDL-UHFFFAOYSA-N 0 1 297.704 3.023 20 10 CGCDMN CCc1onc(C)c1CNCc1ccc2c(c1)CCCN2C ZINC000892731540 618927101 /nfs/dbraw/zinc/92/71/01/618927101.db2.gz DJVMVKQKVIFDPJ-UHFFFAOYSA-N 0 1 299.418 3.218 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H]2CCC[C@H](CO)C2)ccc2ccccc21 ZINC000840980381 619311068 /nfs/dbraw/zinc/31/10/68/619311068.db2.gz YHQGITYQHFQEFQ-XJKSGUPXSA-N 0 1 285.387 3.186 20 10 CGCDMN CCc1cccc(CNCc2cc(C3CC3)no2)c1O ZINC000895766189 619880512 /nfs/dbraw/zinc/88/05/12/619880512.db2.gz SOMLWJGVQFIMMI-UHFFFAOYSA-N 0 1 272.348 3.110 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895843856 619892672 /nfs/dbraw/zinc/89/26/72/619892672.db2.gz DKJMDWFXVVMDIK-YGRLFVJLSA-N 0 1 299.773 3.186 20 10 CGCDMN Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895847313 619896394 /nfs/dbraw/zinc/89/63/94/619896394.db2.gz UFZLXEKFMISPTB-ABAIWWIYSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895847313 619896396 /nfs/dbraw/zinc/89/63/96/619896396.db2.gz UFZLXEKFMISPTB-ABAIWWIYSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895847313 619896397 /nfs/dbraw/zinc/89/63/97/619896397.db2.gz UFZLXEKFMISPTB-ABAIWWIYSA-N 0 1 281.783 3.047 20 10 CGCDMN C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1[O-])c1cccs1 ZINC000304328264 620198602 /nfs/dbraw/zinc/19/86/02/620198602.db2.gz URJPPGSZZOTOGQ-CQSZACIVSA-N 0 1 297.807 3.104 20 10 CGCDMN CC(C)(C)c1coc(CNCc2cc(F)cc(F)c2O)n1 ZINC000897942735 620452941 /nfs/dbraw/zinc/45/29/41/620452941.db2.gz SOEZXWXGYNBLJX-UHFFFAOYSA-N 0 1 296.317 3.246 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H]2COC[C@H]2C2CC2)ccc2ccccc21 ZINC000898380407 620515136 /nfs/dbraw/zinc/51/51/36/620515136.db2.gz NYCHJNAGLOTEIS-DLBZAZTESA-N 0 1 283.371 3.060 20 10 CGCDMN CC[C@H]([NH2+]CC[C@@H](O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903406196 621729989 /nfs/dbraw/zinc/72/99/89/621729989.db2.gz HIFBYHMPDRUOOI-UONOGXRCSA-N 0 1 283.799 3.247 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[NH+]1C2CCC1CC2 ZINC000912789033 622698710 /nfs/dbraw/zinc/69/87/10/622698710.db2.gz YPWWQLOIJUDTRE-UHFFFAOYSA-N 0 1 254.333 3.067 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H]1CCCCO1 ZINC000227340287 623016630 /nfs/dbraw/zinc/01/66/30/623016630.db2.gz XTWOOLCPPLFWPH-CYBMUJFWSA-N 0 1 269.772 3.094 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CC=CCC1 ZINC000083552231 625648775 /nfs/dbraw/zinc/64/87/75/625648775.db2.gz JFUOLBJBSVHQMU-NSHDSACASA-N 0 1 251.757 3.492 20 10 CGCDMN c1ccc2c(c1)OC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000921691243 625843497 /nfs/dbraw/zinc/84/34/97/625843497.db2.gz VATJOMMYSPGFOU-INIZCTEOSA-N 0 1 281.355 3.235 20 10 CGCDMN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccns1 ZINC000922298421 625994298 /nfs/dbraw/zinc/99/42/98/625994298.db2.gz RLPBEBSCVDLKAQ-NSHDSACASA-N 0 1 274.389 3.319 20 10 CGCDMN CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC)cc1O ZINC000839170911 626325133 /nfs/dbraw/zinc/32/51/33/626325133.db2.gz VEDCKTBAHGALRX-HNNXBMFYSA-N 0 1 293.407 3.182 20 10 CGCDMN C[C@@H]([NH2+]Cc1ccccc1CO)c1cc(Cl)ccc1[O-] ZINC000756459392 626707209 /nfs/dbraw/zinc/70/72/09/626707209.db2.gz NWLQZBIRNFQNSG-LLVKDONJSA-N 0 1 291.778 3.389 20 10 CGCDMN C[C@H](O)CC(C)(C)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756732566 626728066 /nfs/dbraw/zinc/72/80/66/626728066.db2.gz JEIUAVGPUUMJQU-MDZLAQPJSA-N 0 1 295.398 3.466 20 10 CGCDMN CN(Cc1ccccn1)Cc1cc(Cl)ccc1O ZINC000757890026 626812351 /nfs/dbraw/zinc/81/23/51/626812351.db2.gz OGWNBOCAGLWOKG-UHFFFAOYSA-N 0 1 262.740 3.073 20 10 CGCDMN C[N@H+](Cc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000757890026 626812352 /nfs/dbraw/zinc/81/23/52/626812352.db2.gz OGWNBOCAGLWOKG-UHFFFAOYSA-N 0 1 262.740 3.073 20 10 CGCDMN C[N@@H+](Cc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000757890026 626812354 /nfs/dbraw/zinc/81/23/54/626812354.db2.gz OGWNBOCAGLWOKG-UHFFFAOYSA-N 0 1 262.740 3.073 20 10 CGCDMN Cc1ncc([C@@H](C)NCc2ccc3c(c2)CCO3)s1 ZINC000761433879 627040894 /nfs/dbraw/zinc/04/08/94/627040894.db2.gz FSYVZIXUYBUCLZ-SNVBAGLBSA-N 0 1 274.389 3.237 20 10 CGCDMN C[C@@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCO[C@H]1C1CC1 ZINC000767195212 627388999 /nfs/dbraw/zinc/38/89/99/627388999.db2.gz JTOTWULZBPQVKB-HOTGVXAUSA-N 0 1 295.810 3.340 20 10 CGCDMN CCOc1ccc(C[N@H+](C)[C@H](C)C(C)C)c([O-])c1 ZINC000768269326 627471569 /nfs/dbraw/zinc/47/15/69/627471569.db2.gz MRRYISQFYINRMS-GFCCVEGCSA-N 0 1 251.370 3.267 20 10 CGCDMN CCOc1ccc(C[N@@H+](C)[C@H](C)C(C)C)c([O-])c1 ZINC000768269326 627471573 /nfs/dbraw/zinc/47/15/73/627471573.db2.gz MRRYISQFYINRMS-GFCCVEGCSA-N 0 1 251.370 3.267 20 10 CGCDMN CCOC(=O)CN(Cc1cc(C)c(C)cc1O)CC(C)C ZINC000768754916 627496397 /nfs/dbraw/zinc/49/63/97/627496397.db2.gz JYRHGHKLDZUEEJ-UHFFFAOYSA-N 0 1 293.407 3.030 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769314371 627539905 /nfs/dbraw/zinc/53/99/05/627539905.db2.gz YDJAKTXJYCEJIN-GFCCVEGCSA-N 0 1 291.782 3.079 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769314371 627539907 /nfs/dbraw/zinc/53/99/07/627539907.db2.gz YDJAKTXJYCEJIN-GFCCVEGCSA-N 0 1 291.782 3.079 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000770284411 627611657 /nfs/dbraw/zinc/61/16/57/627611657.db2.gz QGKWZCCXZZASQZ-IUCAKERBSA-N 0 1 284.743 3.184 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCC=C(F)C1 ZINC000770667667 627635918 /nfs/dbraw/zinc/63/59/18/627635918.db2.gz RVYDQMHPTWMXLC-UHFFFAOYSA-N 0 1 259.683 3.244 20 10 CGCDMN CC[C@H](NCc1cc(C)ncn1)c1ccc(N(C)C)cc1 ZINC000773105671 627856832 /nfs/dbraw/zinc/85/68/32/627856832.db2.gz ILGFIRRQCFDQQS-KRWDZBQOSA-N 0 1 284.407 3.092 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](O)CC(C)C)c1cc(Cl)ccc1[O-] ZINC000775498251 628101359 /nfs/dbraw/zinc/10/13/59/628101359.db2.gz ZNSDACMJUQAJMU-GXTWGEPZSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@H]([NH2+]CCc1nc(C)no1)c1cc(Cl)ccc1[O-] ZINC000775519891 628103165 /nfs/dbraw/zinc/10/31/65/628103165.db2.gz TWTWCLHSUIWSBQ-LBPRGKRZSA-N 0 1 295.770 3.020 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000775649218 628119242 /nfs/dbraw/zinc/11/92/42/628119242.db2.gz MSRRABACCOMOBD-SNVBAGLBSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000775725698 628128983 /nfs/dbraw/zinc/12/89/83/628128983.db2.gz LXJLAOJWOYPYRT-GHMZBOCLSA-N 0 1 299.773 3.043 20 10 CGCDMN CC(C)[C@@H]1CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775763435 628134410 /nfs/dbraw/zinc/13/44/10/628134410.db2.gz GJUMHEYBKPNPLF-LBPRGKRZSA-N 0 1 257.736 3.415 20 10 CGCDMN COc1ccc(O)c(CN2Cc3ccccc3OC[C@H]2C)c1 ZINC000783598822 628730267 /nfs/dbraw/zinc/73/02/67/628730267.db2.gz ZFFLBDJSKYBKFZ-CYBMUJFWSA-N 0 1 299.370 3.184 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+](CCO)C1CCC1 ZINC000784673564 628828481 /nfs/dbraw/zinc/82/84/81/628828481.db2.gz UHEHSYOOOMTZQY-UHFFFAOYSA-N 0 1 290.190 3.046 20 10 CGCDMN C[C@@H]1CCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862243014 629330456 /nfs/dbraw/zinc/33/04/56/629330456.db2.gz WEXWPRCYURZVBD-SNVBAGLBSA-N 0 1 254.324 3.015 20 10 CGCDMN CC[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@@H]1CCOC1 ZINC000792163014 629342122 /nfs/dbraw/zinc/34/21/22/629342122.db2.gz UZELSNYJGFDJCP-JTQLQIEISA-N 0 1 287.762 3.043 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH+]1CC(CC2CC2)C1 ZINC000862425065 629370575 /nfs/dbraw/zinc/37/05/75/629370575.db2.gz LSXFEZKULSLWAK-UHFFFAOYSA-N 0 1 296.208 3.387 20 10 CGCDMN CCC(F)(F)CNCc1cc(Cl)c(F)cc1O ZINC000862489660 629388975 /nfs/dbraw/zinc/38/89/75/629388975.db2.gz SILAJCQXAMBUCS-UHFFFAOYSA-N 0 1 267.678 3.320 20 10 CGCDMN CC(C)C1C[NH+](Cc2cc(Br)ccc2[O-])C1 ZINC000793191618 629426194 /nfs/dbraw/zinc/42/61/94/629426194.db2.gz ZQHCPSXAOUIRRU-UHFFFAOYSA-N 0 1 284.197 3.243 20 10 CGCDMN CC[C@H]([NH2+]Cc1cc(C)nn1C)c1cc(Cl)ccc1[O-] ZINC000793560330 629484062 /nfs/dbraw/zinc/48/40/62/629484062.db2.gz NQFYOPFHZPWFLT-AWEZNQCLSA-N 0 1 293.798 3.328 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000793610349 629490601 /nfs/dbraw/zinc/49/06/01/629490601.db2.gz UMKLOKOUFHFFDO-CYBMUJFWSA-N 0 1 283.799 3.173 20 10 CGCDMN c1ccc2c(c1)CN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000119956412 629806112 /nfs/dbraw/zinc/80/61/12/629806112.db2.gz WAQDQBLFHXPJBS-UHFFFAOYSA-N 0 1 294.398 3.039 20 10 CGCDMN Cc1cc(Cl)nc(CNCc2cc(F)ccc2O)c1 ZINC000800526836 630291067 /nfs/dbraw/zinc/29/10/67/630291067.db2.gz FFYBKOPUCQICGG-UHFFFAOYSA-N 0 1 280.730 3.178 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCOC1 ZINC000801597456 630346542 /nfs/dbraw/zinc/34/65/42/630346542.db2.gz HMQFGQYPCGBSGB-HNNXBMFYSA-N 0 1 277.408 3.421 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCOC1 ZINC000801597456 630346544 /nfs/dbraw/zinc/34/65/44/630346544.db2.gz HMQFGQYPCGBSGB-HNNXBMFYSA-N 0 1 277.408 3.421 20 10 CGCDMN C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000807838127 630600323 /nfs/dbraw/zinc/60/03/23/630600323.db2.gz JBGNNMLYMUOCPX-ZETCQYMHSA-N 0 1 288.174 3.361 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000808451375 630646299 /nfs/dbraw/zinc/64/62/99/630646299.db2.gz MXZXGSPJFFWWQH-GFCCVEGCSA-N 0 1 289.762 3.311 20 10 CGCDMN COc1cccc(CNCc2cc(F)c(F)cc2F)c1O ZINC000809740438 630796855 /nfs/dbraw/zinc/79/68/55/630796855.db2.gz YTFLBGCUQAVSMN-UHFFFAOYSA-N 0 1 297.276 3.108 20 10 CGCDMN C[N@H+](Cc1ccc(O)cc1)Cc1cc(Cl)ccc1[O-] ZINC000809753377 630800624 /nfs/dbraw/zinc/80/06/24/630800624.db2.gz GVRLLHBACJYXAC-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN C[N@@H+](Cc1ccc(O)cc1)Cc1cc(Cl)ccc1[O-] ZINC000809753377 630800626 /nfs/dbraw/zinc/80/06/26/630800626.db2.gz GVRLLHBACJYXAC-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237217 630857570 /nfs/dbraw/zinc/85/75/70/630857570.db2.gz ABTGFJMTCPKKHS-CABZTGNLSA-N 0 1 291.313 3.487 20 10 CGCDMN CC[C@H]([NH2+]CCF)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239339 630857829 /nfs/dbraw/zinc/85/78/29/630857829.db2.gz ZJXCPAXSYUJFLG-JTQLQIEISA-N 0 1 265.250 3.421 20 10 CGCDMN CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000810244204 630857659 /nfs/dbraw/zinc/85/76/59/630857659.db2.gz AZXFUFFQUGYMGE-RYUDHWBXSA-N 0 1 284.831 3.425 20 10 CGCDMN OCc1ccc(NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000811501821 631075533 /nfs/dbraw/zinc/07/55/33/631075533.db2.gz YHAOJNGZIBBSKG-UHFFFAOYSA-N 0 1 299.157 3.198 20 10 CGCDMN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCC1(F)F ZINC000811512906 631080985 /nfs/dbraw/zinc/08/09/85/631080985.db2.gz UCEZQYYRCJLYEG-NSHDSACASA-N 0 1 286.341 3.369 20 10 CGCDMN CC[C@@H](NCc1nnc(C(C)(C)C)[nH]1)c1ccccc1O ZINC000814629239 631613404 /nfs/dbraw/zinc/61/34/04/631613404.db2.gz KRKFOFKCVCMGKR-GFCCVEGCSA-N 0 1 288.395 3.049 20 10 CGCDMN Cc1cc(CN2CCn3cccc3[C@@H]2C)ccc1N(C)C ZINC000815011623 631704081 /nfs/dbraw/zinc/70/40/81/631704081.db2.gz UICNPAHPDONERK-HNNXBMFYSA-N 0 1 283.419 3.439 20 10 CGCDMN Cc1cc(CN2C[C@H](C)O[C@H](C)[C@H]2C)ccc1N(C)C ZINC000815099582 631716698 /nfs/dbraw/zinc/71/66/98/631716698.db2.gz LBJCEAVJMSODIK-RRFJBIMHSA-N 0 1 276.424 3.059 20 10 CGCDMN CC[N@H+](Cc1ccc2ccccc2c1O)C[C@@H]1CCOC1 ZINC000816487912 631991352 /nfs/dbraw/zinc/99/13/52/631991352.db2.gz BXYOBLNSTIMZJW-AWEZNQCLSA-N 0 1 285.387 3.404 20 10 CGCDMN CC[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@@H]1CCOC1 ZINC000816487912 631991362 /nfs/dbraw/zinc/99/13/62/631991362.db2.gz BXYOBLNSTIMZJW-AWEZNQCLSA-N 0 1 285.387 3.404 20 10 CGCDMN CC[N@H+](Cc1ccc2ccccc2c1[O-])C[C@@H]1CCOC1 ZINC000816487912 631991369 /nfs/dbraw/zinc/99/13/69/631991369.db2.gz BXYOBLNSTIMZJW-AWEZNQCLSA-N 0 1 285.387 3.404 20 10 CGCDMN C[C@H](O)C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816501510 631995696 /nfs/dbraw/zinc/99/56/96/631995696.db2.gz PACZBGNATQBURU-ZDUSSCGKSA-N 0 1 285.387 3.138 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000816516421 632002260 /nfs/dbraw/zinc/00/22/60/632002260.db2.gz FHGAGTGPJIIQAH-QWRGUYRKSA-N 0 1 299.773 3.043 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816516835 632003180 /nfs/dbraw/zinc/00/31/80/632003180.db2.gz SNPCDCLAZAKWPK-RDJZCZTQSA-N 0 1 297.398 3.404 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816516835 632003187 /nfs/dbraw/zinc/00/31/87/632003187.db2.gz SNPCDCLAZAKWPK-RDJZCZTQSA-N 0 1 297.398 3.404 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@@H]2CCCCO2)ccc2ccccc21 ZINC000816540428 632006148 /nfs/dbraw/zinc/00/61/48/632006148.db2.gz LCCGQJAQXKJZOL-HNNXBMFYSA-N 0 1 271.360 3.204 20 10 CGCDMN CCc1cc(C[NH2+]Cc2ccc3ccccc3c2[O-])[nH]n1 ZINC000816550365 632008662 /nfs/dbraw/zinc/00/86/62/632008662.db2.gz PBOFRWUECFBCQF-UHFFFAOYSA-N 0 1 281.359 3.121 20 10 CGCDMN CO[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])C(F)(F)F ZINC000816549517 632008838 /nfs/dbraw/zinc/00/88/38/632008838.db2.gz QGSHPKGQGCXQPF-ZDUSSCGKSA-N 0 1 299.292 3.212 20 10 CGCDMN C[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccco1 ZINC000816555197 632011793 /nfs/dbraw/zinc/01/17/93/632011793.db2.gz XAYZOKBRXOTPFN-GOSISDBHSA-N 0 1 297.354 3.136 20 10 CGCDMN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816560656 632013682 /nfs/dbraw/zinc/01/36/82/632013682.db2.gz WRNTUCUEUCLYAB-PBHICJAKSA-N 0 1 285.387 3.450 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](C)[C@@H]2C)c1 ZINC000816648981 632034937 /nfs/dbraw/zinc/03/49/37/632034937.db2.gz RNQMJYYPQGHZLE-UWVGGRQHSA-N 0 1 284.197 3.303 20 10 CGCDMN CC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@H](CC)O1 ZINC000817366082 632133878 /nfs/dbraw/zinc/13/38/78/632133878.db2.gz UAYJQAGAVPHNSB-GASCZTMLSA-N 0 1 293.407 3.099 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(Cl)cc1[O-] ZINC000866633140 633222204 /nfs/dbraw/zinc/22/22/04/633222204.db2.gz FZXMMVOURNXIOH-GWCFXTLKSA-N 0 1 291.782 3.428 20 10 CGCDMN CC[C@@](C)(C[NH2+]Cc1ccc2ccccc2c1[O-])OC ZINC000824743424 633282281 /nfs/dbraw/zinc/28/22/81/633282281.db2.gz BRJYZROBDRPCTI-KRWDZBQOSA-N 0 1 273.376 3.450 20 10 CGCDMN COC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824782729 633289480 /nfs/dbraw/zinc/28/94/80/633289480.db2.gz LYXLEVKIHMPHMF-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824782729 633289487 /nfs/dbraw/zinc/28/94/87/633289487.db2.gz LYXLEVKIHMPHMF-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CCOCC2CC2)cc1Cl ZINC000824902401 633304164 /nfs/dbraw/zinc/30/41/64/633304164.db2.gz VYOQJTDKPDIACS-UHFFFAOYSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CCOCC2CC2)cc1Cl ZINC000824902401 633304173 /nfs/dbraw/zinc/30/41/73/633304173.db2.gz VYOQJTDKPDIACS-UHFFFAOYSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cnc(CNCc2cc(Cl)c(C)cc2O)s1 ZINC000825289358 633342864 /nfs/dbraw/zinc/34/28/64/633342864.db2.gz YGNVBNMQXJFVKH-UHFFFAOYSA-N 0 1 282.796 3.409 20 10 CGCDMN CC1(C)CCCN1CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000825325402 633345662 /nfs/dbraw/zinc/34/56/62/633345662.db2.gz CMMSOTFEIIYINY-UHFFFAOYSA-N 0 1 282.815 3.010 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCO[C@@H](C)C2)cc1Cl ZINC000825406513 633353086 /nfs/dbraw/zinc/35/30/86/633353086.db2.gz UPQVHABOBHFTRN-RYUDHWBXSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC23CCOCC3)cc1Cl ZINC000825709792 633376552 /nfs/dbraw/zinc/37/65/52/633376552.db2.gz BCCQXSMBIFVZJR-UHFFFAOYSA-N 0 1 281.783 3.109 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC23CCOCC3)cc1Cl ZINC000825709792 633376555 /nfs/dbraw/zinc/37/65/55/633376555.db2.gz BCCQXSMBIFVZJR-UHFFFAOYSA-N 0 1 281.783 3.109 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@@H]1C ZINC000826063018 633402278 /nfs/dbraw/zinc/40/22/78/633402278.db2.gz ZTPJZCJQADSTEV-NHYWBVRUSA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@@H]1C ZINC000826063018 633402282 /nfs/dbraw/zinc/40/22/82/633402282.db2.gz ZTPJZCJQADSTEV-NHYWBVRUSA-N 0 1 283.799 3.211 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)ccc2ccccc21 ZINC000827601733 633502366 /nfs/dbraw/zinc/50/23/66/633502366.db2.gz HSACGHRXAWOCFF-CVEARBPZSA-N 0 1 283.371 3.014 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)ccc2ccccc21 ZINC000827601733 633502369 /nfs/dbraw/zinc/50/23/69/633502369.db2.gz HSACGHRXAWOCFF-CVEARBPZSA-N 0 1 283.371 3.014 20 10 CGCDMN CCCOc1ccc(CN[C@H](C)c2cnn(C)c2)cc1C ZINC000873060223 634238753 /nfs/dbraw/zinc/23/87/53/634238753.db2.gz FPAODAVVQUATHI-CQSZACIVSA-N 0 1 287.407 3.368 20 10 CGCDMN CC[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1cc(Cl)ccc1[O-] ZINC000834833419 634251746 /nfs/dbraw/zinc/25/17/46/634251746.db2.gz ZPUSWOHBCZGRGD-CHWSQXEVSA-N 0 1 291.782 3.428 20 10 CGCDMN CC[C@@H](N[C@@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834833419 634251750 /nfs/dbraw/zinc/25/17/50/634251750.db2.gz ZPUSWOHBCZGRGD-CHWSQXEVSA-N 0 1 291.782 3.428 20 10 CGCDMN C[C@H](CCCO)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834870126 634260012 /nfs/dbraw/zinc/26/00/12/634260012.db2.gz GHNOVHBQUPGXPC-WZRBSPASSA-N 0 1 281.371 3.078 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](C)CCCO)c1cc(Cl)ccc1[O-] ZINC000834870815 634260288 /nfs/dbraw/zinc/26/02/88/634260288.db2.gz KPLNBQTZYLJHRZ-BXUZGUMPSA-N 0 1 285.815 3.495 20 10 CGCDMN CCn1ccnc1[C@H](C)N[C@H](C)c1cc(F)ccc1O ZINC000834892685 634271085 /nfs/dbraw/zinc/27/10/85/634271085.db2.gz CMKRGFBWDPNQGO-MNOVXSKESA-N 0 1 277.343 3.160 20 10 CGCDMN CCCc1ncc(CN[C@@H](C)c2cc(F)ccc2O)o1 ZINC000834900980 634277608 /nfs/dbraw/zinc/27/76/08/634277608.db2.gz VIMHXXCRLVLMAX-JTQLQIEISA-N 0 1 278.327 3.323 20 10 CGCDMN C[C@H]([NH2+][C@@H]1COCC1(C)C)c1cc(Cl)ccc1[O-] ZINC000834903082 634279988 /nfs/dbraw/zinc/27/99/88/634279988.db2.gz IAFJPVPAFJWKMA-TVQRCGJNSA-N 0 1 269.772 3.121 20 10 CGCDMN [O-]c1c(C[N@H+]2CCCC3(CCOCC3)C2)ccc(F)c1F ZINC000876746457 634890176 /nfs/dbraw/zinc/89/01/76/634890176.db2.gz YEMLKXURVJZNRW-UHFFFAOYSA-N 0 1 297.345 3.063 20 10 CGCDMN C[C@@H](NCc1ccc(Cl)nn1)c1ccc(N(C)C)cc1 ZINC000877416255 635037646 /nfs/dbraw/zinc/03/76/46/635037646.db2.gz LMWMPJDWDNLHOJ-LLVKDONJSA-N 0 1 290.798 3.047 20 10 CGCDMN CCOC1CC2(C1)CC[N@@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC000877519878 635069682 /nfs/dbraw/zinc/06/96/82/635069682.db2.gz LMYDVXGUJPJDJJ-UHFFFAOYSA-N 0 1 297.345 3.061 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000840875751 635071084 /nfs/dbraw/zinc/07/10/84/635071084.db2.gz GWERJCNDAGUHMO-MRXNPFEDSA-N 0 1 291.778 3.177 20 10 CGCDMN COc1ccnc(NCc2ccc(N(C)C)cc2C)c1 ZINC000840880622 635071900 /nfs/dbraw/zinc/07/19/00/635071900.db2.gz ZAPAFMYZHYMBMB-UHFFFAOYSA-N 0 1 271.364 3.077 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c(Cl)c1 ZINC000840919354 635082274 /nfs/dbraw/zinc/08/22/74/635082274.db2.gz CSBIPMAQIZSZBI-IUODEOHRSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c(Cl)c1 ZINC000840919354 635082276 /nfs/dbraw/zinc/08/22/76/635082276.db2.gz CSBIPMAQIZSZBI-IUODEOHRSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2cccc(C)n2)c(Cl)c1 ZINC000840940684 635086756 /nfs/dbraw/zinc/08/67/56/635086756.db2.gz BADIAKGUJCGPCH-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN Cc1cnc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000877591202 635104963 /nfs/dbraw/zinc/10/49/63/635104963.db2.gz BIUCKAMGXIWZEU-CYBMUJFWSA-N 0 1 287.407 3.078 20 10 CGCDMN Cc1ncc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c(C)n1 ZINC000877612075 635112571 /nfs/dbraw/zinc/11/25/71/635112571.db2.gz CIPGTBVOTHQAIC-SECBINFHSA-N 0 1 291.782 3.303 20 10 CGCDMN Oc1cccc2c1C[N@@H+](C[C@@H]1CCN(c3ccccc3)C1)C2 ZINC000877702580 635154180 /nfs/dbraw/zinc/15/41/80/635154180.db2.gz CDZIJCRDUHCTQA-HNNXBMFYSA-N 0 1 294.398 3.234 20 10 CGCDMN CC(C)n1ccnc1CN[C@H](C)c1ccccc1O ZINC000877755797 635184010 /nfs/dbraw/zinc/18/40/10/635184010.db2.gz NCXCZCNNAILQCR-GFCCVEGCSA-N 0 1 259.353 3.020 20 10 CGCDMN C[C@@H]([NH2+]Cc1ccccc1CO)c1ccc(Cl)cc1[O-] ZINC000841745114 635221920 /nfs/dbraw/zinc/22/19/20/635221920.db2.gz NIJUFZGTLFAIHD-LLVKDONJSA-N 0 1 291.778 3.389 20 10 CGCDMN CC(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744198 635222645 /nfs/dbraw/zinc/22/26/45/635222645.db2.gz FTWNQOVUVUUERE-CMPLNLGQSA-N 0 1 271.788 3.103 20 10 CGCDMN COC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841749071 635225876 /nfs/dbraw/zinc/22/58/76/635225876.db2.gz BRBORXZMRTWOMU-SECBINFHSA-N 0 1 257.761 3.121 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(Cl)cc1[O-] ZINC000841753764 635227012 /nfs/dbraw/zinc/22/70/12/635227012.db2.gz VTPFLPCJAWJEKJ-PWSUYJOCSA-N 0 1 267.756 3.389 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841761787 635233445 /nfs/dbraw/zinc/23/34/45/635233445.db2.gz ZUNGWHYNPAEERH-ABAIWWIYSA-N 0 1 291.778 3.430 20 10 CGCDMN C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000126883911 635350909 /nfs/dbraw/zinc/35/09/09/635350909.db2.gz KVGBIAJIBWJBEH-HOTGVXAUSA-N 0 1 288.435 3.286 20 10 CGCDMN CCC1(CC)CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000211677296 636132464 /nfs/dbraw/zinc/13/24/64/636132464.db2.gz OXNFLNNPZWKJJU-UHFFFAOYSA-N 0 1 263.381 3.413 20 10 CGCDMN C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Cl)cc1[O-] ZINC000846190560 636156851 /nfs/dbraw/zinc/15/68/51/636156851.db2.gz REUSAFYTNQJSSM-PFEFGLNJSA-N 0 1 267.756 3.016 20 10 CGCDMN CCN1CC[C@@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000883355562 636697740 /nfs/dbraw/zinc/69/77/40/636697740.db2.gz UHGZZWUZMPNAHX-UKRRQHHQSA-N 0 1 284.403 3.290 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(Br)cc1[O-] ZINC000134915405 637050113 /nfs/dbraw/zinc/05/01/13/637050113.db2.gz GZMRRGFGVLBUGR-UTLUCORTSA-N 0 1 284.197 3.461 20 10 CGCDMN CC[C@H]([NH2+]C/C=C/CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000850506917 637094444 /nfs/dbraw/zinc/09/44/44/637094444.db2.gz CNFYTWQFVZDYMN-PCAWENJQSA-N 0 1 289.297 3.000 20 10 CGCDMN C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000850544770 637115563 /nfs/dbraw/zinc/11/55/63/637115563.db2.gz JSVSIMPOGCDVCA-CMPLNLGQSA-N 0 1 283.799 3.105 20 10 CGCDMN C[C@@H]1COC2(CCC2)C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000853541296 637865757 /nfs/dbraw/zinc/86/57/57/637865757.db2.gz FUXVFZZDNYLHEN-CYBMUJFWSA-N 0 1 298.386 3.084 20 10 CGCDMN C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000853541296 637865758 /nfs/dbraw/zinc/86/57/58/637865758.db2.gz FUXVFZZDNYLHEN-CYBMUJFWSA-N 0 1 298.386 3.084 20 10 CGCDMN C[C@@H]1COC2(CCC2)C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000853541296 637865762 /nfs/dbraw/zinc/86/57/62/637865762.db2.gz FUXVFZZDNYLHEN-CYBMUJFWSA-N 0 1 298.386 3.084 20 10 CGCDMN CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000858486264 638737328 /nfs/dbraw/zinc/73/73/28/638737328.db2.gz SQWIBXKDPXBQIP-YPMHNXCESA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@H](CN1CCCCC1)[NH2+]Cc1c([O-])cccc1Cl ZINC000083551840 640596834 /nfs/dbraw/zinc/59/68/34/640596834.db2.gz VQWQRKYQENTLRN-GFCCVEGCSA-N 0 1 282.815 3.010 20 10 CGCDMN Cc1ccc(O)c(CN2CCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC000093102603 640757266 /nfs/dbraw/zinc/75/72/66/640757266.db2.gz AXRYQFCUWIFQPO-AWEZNQCLSA-N 0 1 291.391 3.007 20 10 CGCDMN CSc1ccc2nc(-c3cc(O)c(O)c(O)c3)[nH]c2c1 ZINC001251248298 805872009 /nfs/dbraw/zinc/87/20/09/805872009.db2.gz JXLQTWHCMBWJMX-UHFFFAOYSA-N 0 1 288.328 3.069 20 10 CGCDMN C[C@@H](Cc1ccco1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000036993983 798853775 /nfs/dbraw/zinc/85/37/75/798853775.db2.gz PJTSPCNEYWZUOC-JTQLQIEISA-N 0 1 265.740 3.359 20 10 CGCDMN CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])OC ZINC000381136754 799372993 /nfs/dbraw/zinc/37/29/93/799372993.db2.gz IKZYMEJYPQAISM-QMTHXVAHSA-N 0 1 271.788 3.196 20 10 CGCDMN CCC[C@@]1([NH2+]Cc2cc(Cl)ccc2[O-])CCOC1 ZINC000393469630 799487946 /nfs/dbraw/zinc/48/79/46/799487946.db2.gz FFTKDFNIFQLEQF-CQSZACIVSA-N 0 1 269.772 3.094 20 10 CGCDMN COc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)sn1 ZINC000399173340 799535710 /nfs/dbraw/zinc/53/57/10/799535710.db2.gz METRUEGPIZYUTM-NSHDSACASA-N 0 1 291.420 3.069 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H](C)CO1 ZINC000403842403 799572128 /nfs/dbraw/zinc/57/21/28/799572128.db2.gz SXYUNYLITCSPSW-ZYHUDNBSSA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000687212156 799737674 /nfs/dbraw/zinc/73/76/74/799737674.db2.gz HLLSNRHARVFIOD-MFKMUULPSA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000687212156 799737678 /nfs/dbraw/zinc/73/76/78/799737678.db2.gz HLLSNRHARVFIOD-MFKMUULPSA-N 0 1 269.772 3.045 20 10 CGCDMN Oc1ccc(Br)cc1CN1CCC(F)CC1 ZINC000689909663 799770434 /nfs/dbraw/zinc/77/04/34/799770434.db2.gz RCIJCQPETBLXBP-UHFFFAOYSA-N 0 1 288.160 3.089 20 10 CGCDMN C[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])C1CC1 ZINC000691428968 799784094 /nfs/dbraw/zinc/78/40/94/799784094.db2.gz UIEDUCZRYXJUDV-VIFPVBQESA-N 0 1 284.197 3.290 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000701092969 799884472 /nfs/dbraw/zinc/88/44/72/799884472.db2.gz LCNVTDXOXKMFCF-PEGIJTEDSA-N 0 1 282.181 3.043 20 10 CGCDMN C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000708619990 799991978 /nfs/dbraw/zinc/99/19/78/799991978.db2.gz SJINOYXFQYXGBE-GFCCVEGCSA-N 0 1 295.251 3.445 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711476700 800063820 /nfs/dbraw/zinc/06/38/20/800063820.db2.gz OTLLXWJGOZJMBZ-SNVBAGLBSA-N 0 1 257.736 3.227 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC000711476700 800063829 /nfs/dbraw/zinc/06/38/29/800063829.db2.gz OTLLXWJGOZJMBZ-SNVBAGLBSA-N 0 1 257.736 3.227 20 10 CGCDMN CCN(CC)c1ccc(CN(C)Cc2cccc(=O)[nH]2)cc1 ZINC000897392790 800589365 /nfs/dbraw/zinc/58/93/65/800589365.db2.gz OCJUWOZGWRSMLO-UHFFFAOYSA-N 0 1 299.418 3.265 20 10 CGCDMN Cc1cccnc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001116530088 802372860 /nfs/dbraw/zinc/37/28/60/802372860.db2.gz FGUKTNNWTLEUTH-UHFFFAOYSA-N 0 1 269.392 3.088 20 10 CGCDMN C[N@@H+](Cc1cc(F)cc(F)c1)Cc1cc(F)ccc1O ZINC001116826270 802414919 /nfs/dbraw/zinc/41/49/19/802414919.db2.gz DTURKJMLPANVIF-UHFFFAOYSA-N 0 1 281.277 3.442 20 10 CGCDMN CN(Cc1cc(F)cc(F)c1)Cc1cc(F)ccc1O ZINC001116826270 802414925 /nfs/dbraw/zinc/41/49/25/802414925.db2.gz DTURKJMLPANVIF-UHFFFAOYSA-N 0 1 281.277 3.442 20 10 CGCDMN CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC001117966356 802514663 /nfs/dbraw/zinc/51/46/63/802514663.db2.gz PUGBJGOCZLBBKD-QWHCGFSZSA-N 0 1 296.842 3.428 20 10 CGCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CC=CCC1 ZINC001180310586 809991506 /nfs/dbraw/zinc/99/15/06/809991506.db2.gz LOZVRFKYDHUYEF-NSHDSACASA-N 0 1 267.319 3.459 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001137831629 803778586 /nfs/dbraw/zinc/77/85/86/803778586.db2.gz HZGBTRVFXHOUIB-OAHLLOKOSA-N 0 1 272.323 3.263 20 10 CGCDMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354479 803900426 /nfs/dbraw/zinc/90/04/26/803900426.db2.gz LGWXVJKZKXAGDC-BBRMVZONSA-N 0 1 276.399 3.249 20 10 CGCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cccnc1NC ZINC001138694982 804008631 /nfs/dbraw/zinc/00/86/31/804008631.db2.gz QIFJWZXSHWYVSA-UHFFFAOYSA-N 0 1 298.434 3.211 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2[O-])[C@@H]1C ZINC001139682823 804251500 /nfs/dbraw/zinc/25/15/00/804251500.db2.gz DBVCMMRZNVEJME-NXEZZACHSA-N 0 1 255.308 3.291 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2[O-])[C@H]1C ZINC001139682826 804252865 /nfs/dbraw/zinc/25/28/65/804252865.db2.gz DBVCMMRZNVEJME-ZJUUUORDSA-N 0 1 255.308 3.291 20 10 CGCDMN Cc1ccc(C)c(CN(C)Cc2cncs2)c1O ZINC001140184509 804399188 /nfs/dbraw/zinc/39/91/88/804399188.db2.gz XHYGPFCNPUGPQF-UHFFFAOYSA-N 0 1 262.378 3.098 20 10 CGCDMN C[N@@H+](Cc1ccc(Cl)cc1O)C1CC(F)(F)C1 ZINC001140461342 804441572 /nfs/dbraw/zinc/44/15/72/804441572.db2.gz ISUREEKHYICTJU-UHFFFAOYSA-N 0 1 261.699 3.275 20 10 CGCDMN C[N@H+](Cc1ccc(Cl)cc1[O-])C1CC(F)(F)C1 ZINC001140461342 804441577 /nfs/dbraw/zinc/44/15/77/804441577.db2.gz ISUREEKHYICTJU-UHFFFAOYSA-N 0 1 261.699 3.275 20 10 CGCDMN C[N@@H+](Cc1ccc(Cl)cc1[O-])C1CC(F)(F)C1 ZINC001140461342 804441580 /nfs/dbraw/zinc/44/15/80/804441580.db2.gz ISUREEKHYICTJU-UHFFFAOYSA-N 0 1 261.699 3.275 20 10 CGCDMN CCC[N@@H+](Cc1c(O)cc(OC)cc1OC)[C@H](C)CC ZINC001141031265 804575851 /nfs/dbraw/zinc/57/58/51/804575851.db2.gz AQWWRBORYKOCMK-GFCCVEGCSA-N 0 1 281.396 3.420 20 10 CGCDMN CCC[N@H+](Cc1c([O-])cc(OC)cc1OC)[C@H](C)CC ZINC001141031265 804575853 /nfs/dbraw/zinc/57/58/53/804575853.db2.gz AQWWRBORYKOCMK-GFCCVEGCSA-N 0 1 281.396 3.420 20 10 CGCDMN CCC[N@@H+](Cc1c([O-])cc(OC)cc1OC)[C@H](C)CC ZINC001141031265 804575856 /nfs/dbraw/zinc/57/58/56/804575856.db2.gz AQWWRBORYKOCMK-GFCCVEGCSA-N 0 1 281.396 3.420 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001142513073 804729013 /nfs/dbraw/zinc/72/90/13/804729013.db2.gz VZXABMQNVKHLTQ-QWRGUYRKSA-N 0 1 267.319 3.292 20 10 CGCDMN C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248879547 805030277 /nfs/dbraw/zinc/03/02/77/805030277.db2.gz BQYBHYPRXXEQSH-PWSUYJOCSA-N 0 1 297.826 3.298 20 10 CGCDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248879547 805030288 /nfs/dbraw/zinc/03/02/88/805030288.db2.gz BQYBHYPRXXEQSH-PWSUYJOCSA-N 0 1 297.826 3.298 20 10 CGCDMN CCN(Cc1ccccc1O)c1cc(C)c(C)cn1 ZINC001154890752 805505937 /nfs/dbraw/zinc/50/59/37/805505937.db2.gz MJAWYHPACSJOKF-UHFFFAOYSA-N 0 1 256.349 3.431 20 10 CGCDMN Cc1nc2cc(Nc3cccc(O)c3O)ccc2[nH]1 ZINC001213074098 815223463 /nfs/dbraw/zinc/22/34/63/815223463.db2.gz CMBWTDQIZFYTHW-UHFFFAOYSA-N 0 1 255.277 3.026 20 10 CGCDMN [O-]c1c(Br)ccc(Cl)c1Nc1cc[nH+]cc1 ZINC001173885291 808740742 /nfs/dbraw/zinc/74/07/42/808740742.db2.gz RVYSNBWCZRCMFQ-UHFFFAOYSA-N 0 1 299.555 3.369 20 10 CGCDMN Cc1[nH]nc2ccc(N(C)c3ccc(N)cc3)cc12 ZINC001175701466 809512505 /nfs/dbraw/zinc/51/25/05/809512505.db2.gz DYKKZHJJUXTARU-UHFFFAOYSA-N 0 1 252.321 3.221 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC001181741666 810069462 /nfs/dbraw/zinc/06/94/62/810069462.db2.gz TZDIIDRAVWPZKI-DZGCQCFKSA-N 0 1 281.783 3.189 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC001181741666 810069465 /nfs/dbraw/zinc/06/94/65/810069465.db2.gz TZDIIDRAVWPZKI-DZGCQCFKSA-N 0 1 281.783 3.189 20 10 CGCDMN CC(C)OCCC[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001181933747 810084905 /nfs/dbraw/zinc/08/49/05/810084905.db2.gz OMPGPIAROBMTSX-UHFFFAOYSA-N 0 1 271.788 3.293 20 10 CGCDMN CC(C)OCCC[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001181933747 810084908 /nfs/dbraw/zinc/08/49/08/810084908.db2.gz OMPGPIAROBMTSX-UHFFFAOYSA-N 0 1 271.788 3.293 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC001183406120 810148481 /nfs/dbraw/zinc/14/84/81/810148481.db2.gz BXEUMEGPXYEYHD-CZUORRHYSA-N 0 1 295.810 3.340 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001183519171 810151280 /nfs/dbraw/zinc/15/12/80/810151280.db2.gz BWSMSMVLWIKJER-VIFPVBQESA-N 0 1 275.726 3.366 20 10 CGCDMN COc1ccc2c(c1)c1c(n2C)CC[N@H+](CC(C)C)C1 ZINC001201477194 811855261 /nfs/dbraw/zinc/85/52/61/811855261.db2.gz UKIQAOWZVXRIQK-UHFFFAOYSA-N 0 1 272.392 3.201 20 10 CGCDMN COc1ccc2c(c1)c1c(n2C)CCN(CC(C)C)C1 ZINC001201477194 811855272 /nfs/dbraw/zinc/85/52/72/811855272.db2.gz UKIQAOWZVXRIQK-UHFFFAOYSA-N 0 1 272.392 3.201 20 10 CGCDMN CC(C)Nc1ccc(Nc2ccnc(CO)c2)cc1 ZINC001201489516 811862981 /nfs/dbraw/zinc/86/29/81/811862981.db2.gz RHNQKXSPCFGOFH-UHFFFAOYSA-N 0 1 257.337 3.138 20 10 CGCDMN CCCOC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC001203657309 812419499 /nfs/dbraw/zinc/41/94/99/812419499.db2.gz JGVFDANTOUZHCK-UHFFFAOYSA-N 0 1 283.799 3.437 20 10 CGCDMN C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C2(CC2)C1 ZINC001203664435 812422733 /nfs/dbraw/zinc/42/27/33/812422733.db2.gz FEWWSCKHWCNDCO-SNVBAGLBSA-N 0 1 251.757 3.420 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C2(CC2)C1 ZINC001203664435 812422740 /nfs/dbraw/zinc/42/27/40/812422740.db2.gz FEWWSCKHWCNDCO-SNVBAGLBSA-N 0 1 251.757 3.420 20 10 CGCDMN C[C@@H]1c2ccccc2CCN1Cc1ccc(O)c(O)c1 ZINC001203875617 812478777 /nfs/dbraw/zinc/47/87/77/812478777.db2.gz RZNNKOMKVOSGSL-GFCCVEGCSA-N 0 1 269.344 3.217 20 10 CGCDMN COc1cc(CN2CCCc3ccccc3C2)cc(O)c1O ZINC001204345472 812616737 /nfs/dbraw/zinc/61/67/37/812616737.db2.gz STUSCQPCRGQFLU-UHFFFAOYSA-N 0 1 299.370 3.055 20 10 CGCDMN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[O-])C1 ZINC001206216442 813244942 /nfs/dbraw/zinc/24/49/42/813244942.db2.gz XPHZXEQGFKOSSS-BETUJISGSA-N 0 1 269.772 3.091 20 10 CGCDMN Cc1cc2[nH]ncc2cc1N(C)c1ccc(N)cc1 ZINC001210107346 814292922 /nfs/dbraw/zinc/29/29/22/814292922.db2.gz ZBYFDLHQORQZDU-UHFFFAOYSA-N 0 1 252.321 3.221 20 10 CGCDMN CCC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231563736 818123703 /nfs/dbraw/zinc/12/37/03/818123703.db2.gz KVKNKEFDVRTMTJ-CQSZACIVSA-N 0 1 277.364 3.245 20 10 CGCDMN Cc1cc(C)c(CN2CCc3ncsc3C2)c(O)c1 ZINC001231846212 818187108 /nfs/dbraw/zinc/18/71/08/818187108.db2.gz IAJWVAHLESGXSS-UHFFFAOYSA-N 0 1 274.389 3.024 20 10 CGCDMN COc1cc(N(C)C)ccc1CN1CCc2ccccc2C1 ZINC001231849806 818188977 /nfs/dbraw/zinc/18/89/77/818188977.db2.gz ZSGQRTRSNGGSMD-UHFFFAOYSA-N 0 1 296.414 3.320 20 10 CGCDMN Cc1cc(O)c(CN2C[C@@H](C)[C@@H](F)C2)cc1Cl ZINC001231867004 818192318 /nfs/dbraw/zinc/19/23/18/818192318.db2.gz GLDHFTPGXGEQAU-SKDRFNHKSA-N 0 1 257.736 3.144 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CCC3(CCOC3)CC2)cc1Cl ZINC001231869803 818194275 /nfs/dbraw/zinc/19/42/75/818194275.db2.gz ZFNDQNPYUWYXRZ-UHFFFAOYSA-N 0 1 295.810 3.357 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1O ZINC001231879371 818199074 /nfs/dbraw/zinc/19/90/74/818199074.db2.gz CYPPANYXRFKGNU-CXAGYDPISA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1O ZINC001231879371 818199080 /nfs/dbraw/zinc/19/90/80/818199080.db2.gz CYPPANYXRFKGNU-CXAGYDPISA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CCC1=O ZINC001231879556 818199264 /nfs/dbraw/zinc/19/92/64/818199264.db2.gz IIHCFDGCOYLIPH-CYBMUJFWSA-N 0 1 283.371 3.346 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CCC1=O ZINC001231879556 818199270 /nfs/dbraw/zinc/19/92/70/818199270.db2.gz IIHCFDGCOYLIPH-CYBMUJFWSA-N 0 1 283.371 3.346 20 10 CGCDMN Oc1c(CN2CCn3cccc3C2)ccc2ccccc21 ZINC001231881689 818199790 /nfs/dbraw/zinc/19/97/90/818199790.db2.gz GTUXPMVCHTXHSG-UHFFFAOYSA-N 0 1 278.355 3.363 20 10 CGCDMN CCCCOC1CN(Cc2cccc(Cl)c2O)C1 ZINC001231911858 818209455 /nfs/dbraw/zinc/20/94/55/818209455.db2.gz OGJKEGQMVGOMPL-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])[C@](C)(CO)C1 ZINC001231911023 818209582 /nfs/dbraw/zinc/20/95/82/818209582.db2.gz ZBJGTGYETMBELW-HNNXBMFYSA-N 0 1 283.799 3.029 20 10 CGCDMN COC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(OC)cc1O ZINC001232265711 818297011 /nfs/dbraw/zinc/29/70/11/818297011.db2.gz DYCRMCOXFNRZPU-GFCCVEGCSA-N 0 1 299.798 3.055 20 10 CGCDMN COC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232265711 818297015 /nfs/dbraw/zinc/29/70/15/818297015.db2.gz DYCRMCOXFNRZPU-GFCCVEGCSA-N 0 1 299.798 3.055 20 10 CGCDMN COC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232265711 818297019 /nfs/dbraw/zinc/29/70/19/818297019.db2.gz DYCRMCOXFNRZPU-GFCCVEGCSA-N 0 1 299.798 3.055 20 10 CGCDMN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)c(C)n1 ZINC001232338630 818320125 /nfs/dbraw/zinc/32/01/25/818320125.db2.gz ZLRFBXWQQFMIDI-UHFFFAOYSA-N 0 1 299.418 3.097 20 10 CGCDMN Oc1cccc2c1CN(Cc1cc3ccoc3cn1)CC2 ZINC001232554422 818385101 /nfs/dbraw/zinc/38/51/01/818385101.db2.gz VBUFJYZEOVHWPA-UHFFFAOYSA-N 0 1 280.327 3.092 20 10 CGCDMN CCOc1ccnc(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC001232587633 818392647 /nfs/dbraw/zinc/39/26/47/818392647.db2.gz JDIKWTYSMFPBSS-UHFFFAOYSA-N 0 1 299.418 3.178 20 10 CGCDMN CC1(C)CN(Cc2c(O)cc(Br)cc2F)C1 ZINC001233027598 818505336 /nfs/dbraw/zinc/50/53/36/818505336.db2.gz TXPZEHZLKSPUNE-UHFFFAOYSA-N 0 1 288.160 3.136 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@H](C(F)F)C2)ccc(F)c1F ZINC001233077349 818518614 /nfs/dbraw/zinc/51/86/14/818518614.db2.gz KLPNNJYJKBSWIC-VIFPVBQESA-N 0 1 277.261 3.148 20 10 CGCDMN CC(C)(C)c1ccc(O)c(CN2CC[C@H](F)C2)c1 ZINC001233284027 818565351 /nfs/dbraw/zinc/56/53/51/818565351.db2.gz FBSSOBLTWCFDBS-ZDUSSCGKSA-N 0 1 251.345 3.234 20 10 CGCDMN CC(C)(C)c1ccc(O)c(CN(C2CC2)C2COC2)c1 ZINC001233286103 818567231 /nfs/dbraw/zinc/56/72/31/818567231.db2.gz FQBRUDBNKNLJKQ-UHFFFAOYSA-N 0 1 275.392 3.053 20 10 CGCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001233334283 818583923 /nfs/dbraw/zinc/58/39/23/818583923.db2.gz ANALTIHAEKXZNB-LLVKDONJSA-N 0 1 290.313 3.055 20 10 CGCDMN C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451992 818623283 /nfs/dbraw/zinc/62/32/83/818623283.db2.gz HIPFFLTZSAFFSP-VIFPVBQESA-N 0 1 259.271 3.253 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451992 818623288 /nfs/dbraw/zinc/62/32/88/818623288.db2.gz HIPFFLTZSAFFSP-VIFPVBQESA-N 0 1 259.271 3.253 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C[C@@H]1F ZINC001233452264 818623308 /nfs/dbraw/zinc/62/33/08/818623308.db2.gz PKZOBWFDLVGYKK-KCJUWKMLSA-N 0 1 277.261 3.201 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C[C@@H]1F ZINC001233452264 818623312 /nfs/dbraw/zinc/62/33/12/818623312.db2.gz PKZOBWFDLVGYKK-KCJUWKMLSA-N 0 1 277.261 3.201 20 10 CGCDMN C[C@@H]1C[C@@H](F)CN1Cc1cccc(OC(F)(F)F)c1O ZINC001233726254 818691930 /nfs/dbraw/zinc/69/19/30/818691930.db2.gz BIWWJYCRWBYQPF-PSASIEDQSA-N 0 1 293.260 3.223 20 10 CGCDMN CC(C)(C)c1ccc(C[N@H+]2CCC[C@]23CCOC3)c(O)c1 ZINC001235681144 819139829 /nfs/dbraw/zinc/13/98/29/819139829.db2.gz YUSBMSUYXAMCAF-GOSISDBHSA-N 0 1 289.419 3.445 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H]2C)c1 ZINC001236662400 819566346 /nfs/dbraw/zinc/56/63/46/819566346.db2.gz DKKMIYLPARPRTC-VIFPVBQESA-N 0 1 270.170 3.057 20 10 CGCDMN CC[C@@H](C)[N@H+](C)Cc1c([O-])cc(OC)cc1Cl ZINC001236796433 819596339 /nfs/dbraw/zinc/59/63/39/819596339.db2.gz VUKGFBMJWKOUMT-SECBINFHSA-N 0 1 257.761 3.285 20 10 CGCDMN CC[C@@H](C)[N@@H+](C)Cc1c([O-])cc(OC)cc1Cl ZINC001236796433 819596344 /nfs/dbraw/zinc/59/63/44/819596344.db2.gz VUKGFBMJWKOUMT-SECBINFHSA-N 0 1 257.761 3.285 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](CF)C2)c(Cl)c1 ZINC001236800580 819599548 /nfs/dbraw/zinc/59/95/48/819599548.db2.gz ABYVUCVXLYWGTC-JTQLQIEISA-N 0 1 287.762 3.236 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](CF)C2)c(Cl)c1 ZINC001236800580 819599555 /nfs/dbraw/zinc/59/95/55/819599555.db2.gz ABYVUCVXLYWGTC-JTQLQIEISA-N 0 1 287.762 3.236 20 10 CGCDMN CC[N@@H+](Cc1ccc(OC)c(Cl)c1[O-])C1CC1 ZINC001236801070 819599912 /nfs/dbraw/zinc/59/99/12/819599912.db2.gz FFBLTFVDYSYPGE-UHFFFAOYSA-N 0 1 255.745 3.039 20 10 CGCDMN CCC[N@@H+](Cc1c(C)cc(OC)cc1[O-])CC1CC1 ZINC001236819110 819606521 /nfs/dbraw/zinc/60/65/21/819606521.db2.gz TWNNRBABXPETIM-UHFFFAOYSA-N 0 1 263.381 3.331 20 10 CGCDMN CCC[N@H+](Cc1c(C)cc(OC)cc1[O-])CC1CC1 ZINC001236819110 819606525 /nfs/dbraw/zinc/60/65/25/819606525.db2.gz TWNNRBABXPETIM-UHFFFAOYSA-N 0 1 263.381 3.331 20 10 CGCDMN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC001237077399 819660899 /nfs/dbraw/zinc/66/08/99/819660899.db2.gz HFJGTHDWGTZQJK-SECBINFHSA-N 0 1 290.190 3.046 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001237124962 819673135 /nfs/dbraw/zinc/67/31/35/819673135.db2.gz TZNNHBKKCDLWSP-OAHLLOKOSA-N 0 1 299.773 3.187 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001237124962 819673139 /nfs/dbraw/zinc/67/31/39/819673139.db2.gz TZNNHBKKCDLWSP-OAHLLOKOSA-N 0 1 299.773 3.187 20 10 CGCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001237941035 819888566 /nfs/dbraw/zinc/88/85/66/819888566.db2.gz FVLIECHURLGMHJ-MEBBXXQBSA-N 0 1 299.773 3.186 20 10 CGCDMN Cc1sccc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001237968221 819898736 /nfs/dbraw/zinc/89/87/36/819898736.db2.gz KZGBEQAJGNUSGP-UHFFFAOYSA-N 0 1 289.400 3.416 20 10 CGCDMN Cc1cc(F)cc(CN2CCc3cc(O)ccc3C2)c1O ZINC001238065698 819919930 /nfs/dbraw/zinc/91/99/30/819919930.db2.gz YZPMNXLLUWLEDE-UHFFFAOYSA-N 0 1 287.334 3.104 20 10 CGCDMN COc1cccc(O)c1CNCc1ccc(C)nc1Cl ZINC000883292167 928430680 /nfs/dbraw/zinc/43/06/80/928430680.db2.gz FXRBARZOHNIBRD-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN Cc1ccc(CNCc2c(O)cc(C)cc2Cl)nc1 ZINC001308448167 933112861 /nfs/dbraw/zinc/11/28/61/933112861.db2.gz DUKBSOKDCWCRRX-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN Cc1ccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)nc1 ZINC001308448167 933112863 /nfs/dbraw/zinc/11/28/63/933112863.db2.gz DUKBSOKDCWCRRX-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN CC[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC001308848295 933188896 /nfs/dbraw/zinc/18/88/96/933188896.db2.gz KZELVXRUAPKCRN-QNRLHKFMSA-N 0 1 288.435 3.265 20 10 CGCDMN CCOC[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474574709 937868167 /nfs/dbraw/zinc/86/81/67/937868167.db2.gz LGBOXWSANKGWIT-GFCCVEGCSA-N 0 1 285.334 3.061 20 10 CGCDMN C[C@@H]([NH2+]Cc1cccc(C(=O)[O-])c1)c1ccc(F)cc1O ZINC001589131118 963352071 /nfs/dbraw/zinc/35/20/71/963352071.db2.gz AYQWBXIWPYZIHF-SNVBAGLBSA-N 0 1 289.306 3.080 20 10 CGCDMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1cccc(C)c1O)CC1CC1 ZINC001594787972 981831980 /nfs/dbraw/zinc/83/19/80/981831980.db2.gz QXJDGPLLJUREFA-QGZVFWFLSA-N 0 1 291.391 3.166 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])[C@@H](C)CC ZINC001595891615 982927694 /nfs/dbraw/zinc/92/76/94/982927694.db2.gz WJUQXVCCMIGEER-WFASDCNBSA-N 0 1 279.380 3.104 20 10 CGCDMN C[C@H]1CC[C@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691394128 799784159 /nfs/dbraw/zinc/78/41/59/799784159.db2.gz AOPRWLDZLGJQLA-GZMMTYOYSA-N 0 1 270.170 3.043 20 10 CGCDMN CSC1CC([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000708307237 799984627 /nfs/dbraw/zinc/98/46/27/799984627.db2.gz UCNZISWYQYKCBU-UHFFFAOYSA-N 0 1 257.786 3.029 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000124604171 370926220 /nfs/dbraw/zinc/92/62/20/370926220.db2.gz GATSCORGFUYDSN-PHIMTYICSA-N 0 1 251.757 3.278 20 10 CGCDMN C[C@](O)(C[NH2+]Cc1c([O-])cccc1Cl)c1ccsc1 ZINC000124107320 370918801 /nfs/dbraw/zinc/91/88/01/370918801.db2.gz RWNOBEACEFZIFF-AWEZNQCLSA-N 0 1 297.807 3.104 20 10 CGCDMN CC(C)[C@]1(CO)CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000293911232 372521737 /nfs/dbraw/zinc/52/17/37/372521737.db2.gz FYPNZODEXJVJKC-MRXNPFEDSA-N 0 1 297.826 3.276 20 10 CGCDMN CCC[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168772113 372619127 /nfs/dbraw/zinc/61/91/27/372619127.db2.gz NBGZXKNWTOSGAF-OCCSQVGLSA-N 0 1 273.376 3.357 20 10 CGCDMN CN(Cc1cc(Cl)cn1C)Cc1ccccc1O ZINC000179585896 373890583 /nfs/dbraw/zinc/89/05/83/373890583.db2.gz HEYHIXZJMCHTCG-UHFFFAOYSA-N 0 1 264.756 3.016 20 10 CGCDMN CCCOc1ccc(CN(C)Cc2cccnc2)c(O)c1 ZINC000183660784 374440687 /nfs/dbraw/zinc/44/06/87/374440687.db2.gz HSIBZTJHQAKJGC-UHFFFAOYSA-N 0 1 286.375 3.208 20 10 CGCDMN COc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])ccn1 ZINC000184973891 374573554 /nfs/dbraw/zinc/57/35/54/374573554.db2.gz CTGLQJAOQOWHNI-JTQLQIEISA-N 0 1 292.766 3.300 20 10 CGCDMN C[C@@H](C[N@@H+](C)Cc1cccc(F)c1[O-])c1nccs1 ZINC000273168726 378737999 /nfs/dbraw/zinc/73/79/99/378737999.db2.gz MAIYRGCQNTUDEH-JTQLQIEISA-N 0 1 280.368 3.223 20 10 CGCDMN Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])o1 ZINC000273592908 378756639 /nfs/dbraw/zinc/75/66/39/378756639.db2.gz PSJUTNCPQUUIKW-QMTHXVAHSA-N 0 1 295.766 3.331 20 10 CGCDMN Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000373178286 379234717 /nfs/dbraw/zinc/23/47/17/379234717.db2.gz SVBVAZKSIJZRKS-MRXNPFEDSA-N 0 1 285.391 3.080 20 10 CGCDMN Cc1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])n(C)n1 ZINC000284565281 380140388 /nfs/dbraw/zinc/14/03/88/380140388.db2.gz YNBSBIUFIHDNFC-CYBMUJFWSA-N 0 1 295.386 3.438 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC3(CCC3)C2)c1[O-] ZINC000123576198 392429685 /nfs/dbraw/zinc/42/96/85/392429685.db2.gz KSEUPZFOIDBSPG-UHFFFAOYSA-N 0 1 277.339 3.110 20 10 CGCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCCO1 ZINC000132951556 392461278 /nfs/dbraw/zinc/46/12/78/392461278.db2.gz QNYMPHAQWHPVLG-NSHDSACASA-N 0 1 290.190 3.310 20 10 CGCDMN COC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132672379 392461371 /nfs/dbraw/zinc/46/13/71/392461371.db2.gz NSKSHSJYMPYUKP-QMMMGPOBSA-N 0 1 278.179 3.166 20 10 CGCDMN CO[C@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000191207147 392824055 /nfs/dbraw/zinc/82/40/55/392824055.db2.gz QZNBFAXOAGVMCW-NEPJUHHUSA-N 0 1 259.349 3.231 20 10 CGCDMN COCC[C@H](NCc1ccc(N(C)C)cc1)c1ccco1 ZINC000272519332 393263166 /nfs/dbraw/zinc/26/31/66/393263166.db2.gz ITKSPDCCXHCZJJ-INIZCTEOSA-N 0 1 288.391 3.213 20 10 CGCDMN Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185348274 262051811 /nfs/dbraw/zinc/05/18/11/262051811.db2.gz SQTPUBXSOCPOES-UWVGGRQHSA-N 0 1 293.798 3.499 20 10 CGCDMN CCc1cnc(CN[C@@H](C)c2cc(OC)ccc2O)s1 ZINC000185584270 262305874 /nfs/dbraw/zinc/30/58/74/262305874.db2.gz SKUGRMMSYJGSDL-JTQLQIEISA-N 0 1 292.404 3.271 20 10 CGCDMN CCCc1nc(C)c(CNCc2cc(F)ccc2O)o1 ZINC000292714017 263134180 /nfs/dbraw/zinc/13/41/80/263134180.db2.gz DOHOMTGSLGYEFH-UHFFFAOYSA-N 0 1 278.327 3.070 20 10 CGCDMN COCC[C@H]1CCCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000368675260 267197500 /nfs/dbraw/zinc/19/75/00/267197500.db2.gz MSYQEWSSEYQSNI-CQSZACIVSA-N 0 1 293.407 3.039 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368735261 267200714 /nfs/dbraw/zinc/20/07/14/267200714.db2.gz ZBUMBGQGDQKPFM-AWEZNQCLSA-N 0 1 295.810 3.437 20 10 CGCDMN CC(C)c1nnc([C@H](C)N[C@@H](C)c2ccccc2O)[nH]1 ZINC000272852030 328200919 /nfs/dbraw/zinc/20/09/19/328200919.db2.gz LHHCGPXMAAPTHD-QWRGUYRKSA-N 0 1 274.368 3.046 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(F)c(F)c1[O-] ZINC000276939661 328220526 /nfs/dbraw/zinc/22/05/26/328220526.db2.gz PITJATPSTCYGOB-UFBFGSQYSA-N 0 1 293.317 3.122 20 10 CGCDMN Cc1cnn(-c2ccncc2NCc2cc(F)ccc2O)c1 ZINC000180895519 329223622 /nfs/dbraw/zinc/22/36/22/329223622.db2.gz VSSKWPIPPOZFJC-UHFFFAOYSA-N 0 1 298.321 3.033 20 10 CGCDMN C[C@@H](N[C@@H](C)c1ncccc1F)c1cc(F)ccc1O ZINC000528036592 330302956 /nfs/dbraw/zinc/30/29/56/330302956.db2.gz UKCZUCYLVGZREQ-ZJUUUORDSA-N 0 1 278.302 3.477 20 10 CGCDMN CC[N@@H+](Cc1ccncc1)Cc1cccc(Cl)c1[O-] ZINC000289804440 521421864 /nfs/dbraw/zinc/42/18/64/521421864.db2.gz NAJGGXKTGGKRAW-UHFFFAOYSA-N 0 1 276.767 3.463 20 10 CGCDMN CCc1cnc(CN[C@H]2CCc3cccc(O)c32)s1 ZINC000297562258 522041745 /nfs/dbraw/zinc/04/17/45/522041745.db2.gz GESQACJPAKVXGB-LBPRGKRZSA-N 0 1 274.389 3.188 20 10 CGCDMN COC[C@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000045656365 522581966 /nfs/dbraw/zinc/58/19/66/522581966.db2.gz KGSZWCSBWMJYIW-OLZOCXBDSA-N 0 1 273.376 3.479 20 10 CGCDMN C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000037738172 525504109 /nfs/dbraw/zinc/50/41/09/525504109.db2.gz LJTPRGCWLISMEW-CHWSQXEVSA-N 0 1 271.360 3.233 20 10 CGCDMN C[C@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCCC[C@H]1O ZINC000748243317 571673410 /nfs/dbraw/zinc/67/34/10/571673410.db2.gz XOYKHFRLTUAILS-HUUCEWRRSA-N 0 1 283.799 3.076 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)cc1C ZINC000738463436 571773041 /nfs/dbraw/zinc/77/30/41/571773041.db2.gz COVIVIGEJCJRJX-UHFFFAOYSA-N 0 1 297.354 3.223 20 10 CGCDMN COc1ccc([N@H+](CCCC(=O)[O-])CC(C)C)cc1 ZINC000738017255 572363637 /nfs/dbraw/zinc/36/36/37/572363637.db2.gz HFUJOFXIBLXSDK-UHFFFAOYSA-N 0 1 265.353 3.022 20 10 CGCDMN COc1ccc([N@@H+](CCCC(=O)[O-])CC(C)C)cc1 ZINC000738017255 572363640 /nfs/dbraw/zinc/36/36/40/572363640.db2.gz HFUJOFXIBLXSDK-UHFFFAOYSA-N 0 1 265.353 3.022 20 10 CGCDMN CC[N@H+](Cc1c([O-])ccc2ccncc21)C1CCC1 ZINC000738058840 572364480 /nfs/dbraw/zinc/36/44/80/572364480.db2.gz WATCFUMLZGGVIU-UHFFFAOYSA-N 0 1 256.349 3.315 20 10 CGCDMN CC[N@@H+](Cc1c([O-])ccc2ccncc21)C1CCC1 ZINC000738058840 572364483 /nfs/dbraw/zinc/36/44/83/572364483.db2.gz WATCFUMLZGGVIU-UHFFFAOYSA-N 0 1 256.349 3.315 20 10 CGCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCC[C@@H](C)C1 ZINC000733324690 572555484 /nfs/dbraw/zinc/55/54/84/572555484.db2.gz TXKNGQZSLLVJPS-OLZOCXBDSA-N 0 1 296.842 3.256 20 10 CGCDMN C[C@@H]1[C@H](C)SCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000735668553 572737396 /nfs/dbraw/zinc/73/73/96/572737396.db2.gz VDEIYWXOAUYGAG-NEPJUHHUSA-N 0 1 288.416 3.266 20 10 CGCDMN C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000735668553 572737398 /nfs/dbraw/zinc/73/73/98/572737398.db2.gz VDEIYWXOAUYGAG-NEPJUHHUSA-N 0 1 288.416 3.266 20 10 CGCDMN C[C@@H]1[C@H](C)SCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000735668553 572737401 /nfs/dbraw/zinc/73/74/01/572737401.db2.gz VDEIYWXOAUYGAG-NEPJUHHUSA-N 0 1 288.416 3.266 20 10 CGCDMN C[C@H]1c2ccccc2CN1Cc1cc2c(cc1O)OCO2 ZINC000747460816 572930565 /nfs/dbraw/zinc/93/05/65/572930565.db2.gz CDVUFKQBPFPBGU-NSHDSACASA-N 0 1 283.327 3.198 20 10 CGCDMN O=C([O-])C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000316592988 597046052 /nfs/dbraw/zinc/04/60/52/597046052.db2.gz UDMVIHWTAYRKNW-CYBMUJFWSA-N 0 1 299.370 3.232 20 10 CGCDMN CC(C)CCOCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000045093919 618020919 /nfs/dbraw/zinc/02/09/19/618020919.db2.gz BLSVSMXPZFJDSE-UHFFFAOYSA-N 0 1 271.788 3.198 20 10 CGCDMN COC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000307790897 618079289 /nfs/dbraw/zinc/07/92/89/618079289.db2.gz VMUCQAOSWRVMGL-LBPRGKRZSA-N 0 1 269.772 3.047 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c1[O-] ZINC000050565923 618122960 /nfs/dbraw/zinc/12/29/60/618122960.db2.gz BQXUHCCWEFMTAY-GHMZBOCLSA-N 0 1 279.355 3.354 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1[O-] ZINC000050565923 618122962 /nfs/dbraw/zinc/12/29/62/618122962.db2.gz BQXUHCCWEFMTAY-GHMZBOCLSA-N 0 1 279.355 3.354 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000311372309 618906325 /nfs/dbraw/zinc/90/63/25/618906325.db2.gz JJBQLBGIHXHSOY-UHFFFAOYSA-N 0 1 281.783 3.048 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000311372309 618906329 /nfs/dbraw/zinc/90/63/29/618906329.db2.gz JJBQLBGIHXHSOY-UHFFFAOYSA-N 0 1 281.783 3.048 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2nc3ccccc3o2)c1 ZINC000182429712 619036681 /nfs/dbraw/zinc/03/66/81/619036681.db2.gz YNXBLVWEYVFDCR-NSHDSACASA-N 0 1 298.342 3.393 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000894493833 619555351 /nfs/dbraw/zinc/55/53/51/619555351.db2.gz DZVVYKHWWJQYQA-CQSZACIVSA-N 0 1 297.345 3.061 20 10 CGCDMN C[C@H]1CC2(C[N@H+]1Cc1cc(F)cc(F)c1[O-])CCOCC2 ZINC000895084848 619721509 /nfs/dbraw/zinc/72/15/09/619721509.db2.gz JPDWTTRHEBKIDU-NSHDSACASA-N 0 1 297.345 3.061 20 10 CGCDMN CN(C)[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccco1 ZINC000020122297 619766898 /nfs/dbraw/zinc/76/68/98/619766898.db2.gz DYOBZFYKALYYOP-CYBMUJFWSA-N 0 1 294.782 3.031 20 10 CGCDMN CC(C)Cn1ccnc1CN[C@H](C)c1cc(F)ccc1O ZINC000185546387 625374728 /nfs/dbraw/zinc/37/47/28/625374728.db2.gz ZNYOSBYFTMVFCN-GFCCVEGCSA-N 0 1 291.370 3.235 20 10 CGCDMN Cc1noc(C)c1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000073007623 625407355 /nfs/dbraw/zinc/40/73/55/625407355.db2.gz LZMWJBBIMOEWDO-NSHDSACASA-N 0 1 273.380 3.208 20 10 CGCDMN Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841755764 620399387 /nfs/dbraw/zinc/39/93/87/620399387.db2.gz RTTOMMRRIDKQOU-QMTHXVAHSA-N 0 1 295.766 3.331 20 10 CGCDMN CC[C@@H]([NH2+]CC1(N)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000902403650 621307562 /nfs/dbraw/zinc/30/75/62/621307562.db2.gz AIXNHKPAQRLUAF-SNVBAGLBSA-N 0 1 289.206 3.231 20 10 CGCDMN C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1ccc2ccccc2c1[O-] ZINC000903407081 621731057 /nfs/dbraw/zinc/73/10/57/621731057.db2.gz MMDVJTVAYHMXMD-PXAZEXFGSA-N 0 1 285.387 3.357 20 10 CGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1CC1 ZINC000156598954 622825868 /nfs/dbraw/zinc/82/58/68/622825868.db2.gz XPEXEAIAVVWQFL-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])CC1CC1 ZINC000156598954 622825870 /nfs/dbraw/zinc/82/58/70/622825870.db2.gz XPEXEAIAVVWQFL-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1cc(Cl)cc(Cl)c1[O-] ZINC000817978242 625630845 /nfs/dbraw/zinc/63/08/45/625630845.db2.gz YWFXNAUOEOPWMP-RWYTXXIDSA-N 0 1 291.222 3.475 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1cc(Cl)cc(Cl)c1[O-] ZINC000817978241 625630953 /nfs/dbraw/zinc/63/09/53/625630953.db2.gz YWFXNAUOEOPWMP-LWINAJNOSA-N 0 1 291.222 3.475 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506584 623464574 /nfs/dbraw/zinc/46/45/74/623464574.db2.gz JJBZYXSICDGSGW-RKDXNWHRSA-N 0 1 255.720 3.027 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000083552418 625649254 /nfs/dbraw/zinc/64/92/54/625649254.db2.gz SYAUCCZRFSUMEL-LBPRGKRZSA-N 0 1 273.763 3.475 20 10 CGCDMN Fc1ccccc1-c1n[nH]c(Sc2nccs2)n1 ZINC000914862937 623870668 /nfs/dbraw/zinc/87/06/68/623870668.db2.gz XEOQTFXWYOTFOJ-UHFFFAOYSA-N 0 1 278.337 3.219 20 10 CGCDMN C[C@H](NCc1ccc2c(n1)CCC2)c1ccc(N(C)C)cc1 ZINC000839016080 626298374 /nfs/dbraw/zinc/29/83/74/626298374.db2.gz WNTWJYGYFWUFNJ-AWEZNQCLSA-N 0 1 295.430 3.487 20 10 CGCDMN Cc1cnccc1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000754842306 626590034 /nfs/dbraw/zinc/59/00/34/626590034.db2.gz LWRBLNSKNWLXPY-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN Cc1cc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)on1 ZINC000756542507 626714144 /nfs/dbraw/zinc/71/41/44/626714144.db2.gz AUIWMTDIRDMHQG-PRHODGIISA-N 0 1 276.311 3.166 20 10 CGCDMN CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756624124 626721243 /nfs/dbraw/zinc/72/12/43/626721243.db2.gz DJOXGCCESFNWMP-FMSGJZPZSA-N 0 1 295.398 3.466 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)c2c1c(F)ccc2[O-] ZINC000756644466 626723983 /nfs/dbraw/zinc/72/39/83/626723983.db2.gz ARQYGEGDEDQFPL-NRWUCQMLSA-N 0 1 293.382 3.220 20 10 CGCDMN CC[C@@H](O)CCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756736685 626728849 /nfs/dbraw/zinc/72/88/49/626728849.db2.gz CGBBGLYUYDFPCG-ZYHUDNBSSA-N 0 1 271.788 3.247 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000756781392 626731950 /nfs/dbraw/zinc/73/19/50/626731950.db2.gz CPTDDNCISBZLIP-SCVCMEIPSA-N 0 1 269.772 3.264 20 10 CGCDMN C[C@H]([NH2+][C@H](CO)CC(F)F)c1ccc2ccccc2c1[O-] ZINC000760038003 626937261 /nfs/dbraw/zinc/93/72/61/626937261.db2.gz LVRLKPVOQIKYAL-JQWIXIFHSA-N 0 1 295.329 3.212 20 10 CGCDMN COc1cccc(O)c1CN(C)Cc1cccc(F)c1 ZINC000768159376 627464059 /nfs/dbraw/zinc/46/40/59/627464059.db2.gz CRIJSXFHTHABBM-UHFFFAOYSA-N 0 1 275.323 3.172 20 10 CGCDMN COc1cc(O)c(CN2Cc3ccccc3[C@H]2C)cc1OC ZINC000768465299 627481340 /nfs/dbraw/zinc/48/13/40/627481340.db2.gz GDSUWYHLKPFALK-GFCCVEGCSA-N 0 1 299.370 3.486 20 10 CGCDMN C[N@@H+](Cc1ccoc1)Cc1cccc(Br)c1[O-] ZINC000769006310 627516287 /nfs/dbraw/zinc/51/62/87/627516287.db2.gz RKNIGPIEIIQDEH-UHFFFAOYSA-N 0 1 296.164 3.380 20 10 CGCDMN CC[C@@H]1CN(Cc2ccc(N(C)CC)cc2)C[C@H](C)O1 ZINC000773757867 627912557 /nfs/dbraw/zinc/91/25/57/627912557.db2.gz QSYASQZRSBJPHZ-WMLDXEAASA-N 0 1 276.424 3.142 20 10 CGCDMN CC[C@H]([NH2+]CCN1CCCC1)c1cc(Cl)ccc1[O-] ZINC000775485589 628099738 /nfs/dbraw/zinc/09/97/38/628099738.db2.gz XJFTVUUJDAODKS-AWEZNQCLSA-N 0 1 282.815 3.182 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](C)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775499356 628101323 /nfs/dbraw/zinc/10/13/23/628101323.db2.gz RDYFMMBAQQAZCG-GXFFZTMASA-N 0 1 270.804 3.036 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000775512800 628102935 /nfs/dbraw/zinc/10/29/35/628102935.db2.gz BTODERVGIWTNLS-SUHUHFCYSA-N 0 1 281.783 3.023 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000775552217 628105663 /nfs/dbraw/zinc/10/56/63/628105663.db2.gz SZNCUTKSGAMUNJ-BREBYQMCSA-N 0 1 271.788 3.246 20 10 CGCDMN CC[C@@H]([NH2+]CCC(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000775586597 628111415 /nfs/dbraw/zinc/11/14/15/628111415.db2.gz TTZYZUTWEKCNES-GFCCVEGCSA-N 0 1 271.788 3.247 20 10 CGCDMN C[N@@H+](Cc1ccoc1)Cc1cccc(Cl)c1[O-] ZINC000775664090 628121988 /nfs/dbraw/zinc/12/19/88/628121988.db2.gz RLSLZZRAJDWKPE-UHFFFAOYSA-N 0 1 251.713 3.271 20 10 CGCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCCC[C@H]1C ZINC000775986814 628155497 /nfs/dbraw/zinc/15/54/97/628155497.db2.gz JIROCWBKXFMSLV-OLZOCXBDSA-N 0 1 296.842 3.398 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000776017822 628158369 /nfs/dbraw/zinc/15/83/69/628158369.db2.gz SRGFPBSARJJRDN-UHFFFAOYSA-N 0 1 295.810 3.438 20 10 CGCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C12CCC2 ZINC000776176994 628176745 /nfs/dbraw/zinc/17/67/45/628176745.db2.gz HPSHZVGMPQOVRC-LSDHHAIUSA-N 0 1 295.810 3.483 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CCO)c2c1c(F)ccc2[O-] ZINC000779088340 628388392 /nfs/dbraw/zinc/38/83/92/628388392.db2.gz MSAMHKNJIATQPW-XWUBHJNHSA-N 0 1 293.382 3.220 20 10 CGCDMN COc1ccc(N(C)Cc2[nH]nc3ccccc32)cc1F ZINC000780779718 628516559 /nfs/dbraw/zinc/51/65/59/628516559.db2.gz WFLVALVZCCDRTM-UHFFFAOYSA-N 0 1 285.322 3.347 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000781531478 628568843 /nfs/dbraw/zinc/56/88/43/628568843.db2.gz DNJQGZLWNKTGLT-JTQLQIEISA-N 0 1 291.725 3.249 20 10 CGCDMN Oc1ccc(Cl)cc1CN1CCC[C@H](OC(F)F)C1 ZINC000781533227 628568900 /nfs/dbraw/zinc/56/89/00/628568900.db2.gz ZUUYOLKKGTUHTM-NSHDSACASA-N 0 1 291.725 3.249 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781533227 628568904 /nfs/dbraw/zinc/56/89/04/628568904.db2.gz ZUUYOLKKGTUHTM-NSHDSACASA-N 0 1 291.725 3.249 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000781533227 628568906 /nfs/dbraw/zinc/56/89/06/628568906.db2.gz ZUUYOLKKGTUHTM-NSHDSACASA-N 0 1 291.725 3.249 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781532386 628568994 /nfs/dbraw/zinc/56/89/94/628568994.db2.gz PIWOANJPUIKDEB-VIFPVBQESA-N 0 1 291.725 3.249 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000781532386 628568998 /nfs/dbraw/zinc/56/89/98/628568998.db2.gz PIWOANJPUIKDEB-VIFPVBQESA-N 0 1 291.725 3.249 20 10 CGCDMN C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000785987200 628905574 /nfs/dbraw/zinc/90/55/74/628905574.db2.gz GCTGUIMZSWSXML-UHIISALHSA-N 0 1 283.799 3.027 20 10 CGCDMN CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000787994264 629038554 /nfs/dbraw/zinc/03/85/54/629038554.db2.gz FGXYBHIYTFDXJI-NHYWBVRUSA-N 0 1 279.355 3.402 20 10 CGCDMN CC[N@H+](Cc1cc(F)c(N(C)C)cc1F)C[C@H]1CCCO1 ZINC000862231211 629327652 /nfs/dbraw/zinc/32/76/52/629327652.db2.gz FWSJHSLBEVZDBK-CYBMUJFWSA-N 0 1 298.377 3.032 20 10 CGCDMN CCN(Cc1cc(F)c(N(C)C)cc1F)C[C@H]1CCCO1 ZINC000862231211 629327657 /nfs/dbraw/zinc/32/76/57/629327657.db2.gz FWSJHSLBEVZDBK-CYBMUJFWSA-N 0 1 298.377 3.032 20 10 CGCDMN CC[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@H]1CCOC1 ZINC000792163015 629342520 /nfs/dbraw/zinc/34/25/20/629342520.db2.gz UZELSNYJGFDJCP-SNVBAGLBSA-N 0 1 287.762 3.043 20 10 CGCDMN CO[C@]1(C)CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862351411 629346831 /nfs/dbraw/zinc/34/68/31/629346831.db2.gz OXJKCNDPGARYRN-MRXNPFEDSA-N 0 1 298.377 3.032 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CNCC(F)(F)C(F)F ZINC000792192761 629347187 /nfs/dbraw/zinc/34/71/87/629347187.db2.gz NFFXHHQGGOFJNJ-UHFFFAOYSA-N 0 1 289.631 3.175 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000793227275 629431819 /nfs/dbraw/zinc/43/18/19/629431819.db2.gz AXVFAKPPAITRJT-AOOOYVTPSA-N 0 1 284.197 3.446 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000796489183 629789543 /nfs/dbraw/zinc/78/95/43/629789543.db2.gz JZMOLUNDIDQVJC-UHFFFAOYSA-N 0 1 279.689 3.478 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC[C@H]2C)c2c1c(F)ccc2[O-] ZINC000797077084 629881916 /nfs/dbraw/zinc/88/19/16/629881916.db2.gz CDTPTRBFBGTIHD-NMKXLXIOSA-N 0 1 293.382 3.342 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000797905010 630000112 /nfs/dbraw/zinc/00/01/12/630000112.db2.gz TYJUDJFOLVPEOK-CHWSQXEVSA-N 0 1 296.208 3.433 20 10 CGCDMN CSCCC[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000798965323 630131990 /nfs/dbraw/zinc/13/19/90/630131990.db2.gz ZBIFGEKTYUFUAT-UHFFFAOYSA-N 0 1 277.792 3.370 20 10 CGCDMN CCOc1ccc(O)c(CNCc2cccc(F)c2F)c1 ZINC000865677358 630347520 /nfs/dbraw/zinc/34/75/20/630347520.db2.gz WWJZOUSXLXGNAD-UHFFFAOYSA-N 0 1 293.313 3.359 20 10 CGCDMN C[C@@H](CO)[N@@H+](Cc1cc(Cl)ccc1[O-])CC1CCC1 ZINC000809665640 630778401 /nfs/dbraw/zinc/77/84/01/630778401.db2.gz YBCIIIOEQHLDQH-NSHDSACASA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H](CO)[N@H+](Cc1cc(Cl)ccc1[O-])CC1CCC1 ZINC000809665640 630778408 /nfs/dbraw/zinc/77/84/08/630778408.db2.gz YBCIIIOEQHLDQH-NSHDSACASA-N 0 1 283.799 3.029 20 10 CGCDMN CC1(C)C[N@H+](Cc2cc(Cl)ccc2[O-])[C@H]1[C@@H]1CCCO1 ZINC000811510322 631078811 /nfs/dbraw/zinc/07/88/11/631078811.db2.gz CENWMUDWTHOCQU-GJZGRUSLSA-N 0 1 295.810 3.435 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cc(Cl)ccc2[O-])[C@H]1[C@@H]1CCCO1 ZINC000811510322 631078814 /nfs/dbraw/zinc/07/88/14/631078814.db2.gz CENWMUDWTHOCQU-GJZGRUSLSA-N 0 1 295.810 3.435 20 10 CGCDMN CC[C@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000813884907 631476165 /nfs/dbraw/zinc/47/61/65/631476165.db2.gz OXNJPSGTUPXHHC-JQWIXIFHSA-N 0 1 291.313 3.223 20 10 CGCDMN CC[N@H+](CCOC)Cc1ccc2ccccc2c1[O-] ZINC000816484802 631989300 /nfs/dbraw/zinc/98/93/00/631989300.db2.gz PBAGPAQDYFOGSU-UHFFFAOYSA-N 0 1 259.349 3.014 20 10 CGCDMN CC[N@@H+](CCOC)Cc1ccc2ccccc2c1[O-] ZINC000816484802 631989308 /nfs/dbraw/zinc/98/93/08/631989308.db2.gz PBAGPAQDYFOGSU-UHFFFAOYSA-N 0 1 259.349 3.014 20 10 CGCDMN CCCC[N@@H+](CCOC)Cc1cc(Cl)c(F)cc1[O-] ZINC000816508066 631997305 /nfs/dbraw/zinc/99/73/05/631997305.db2.gz BBOMUYWEFQKBGT-UHFFFAOYSA-N 0 1 289.778 3.433 20 10 CGCDMN CC(C)[C@H]1CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816528253 632003713 /nfs/dbraw/zinc/00/37/13/632003713.db2.gz SYXNRBZIWTVLJI-GFCCVEGCSA-N 0 1 257.736 3.415 20 10 CGCDMN CC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCOCC1 ZINC000816554951 632009905 /nfs/dbraw/zinc/00/99/05/632009905.db2.gz OAIMJHIFLQJLDV-UHFFFAOYSA-N 0 1 285.387 3.452 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816559020 632012038 /nfs/dbraw/zinc/01/20/38/632012038.db2.gz VAHLJFDVQVMXGD-IUODEOHRSA-N 0 1 271.360 3.203 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817418890 632147161 /nfs/dbraw/zinc/14/71/61/632147161.db2.gz KHHVGDJQILFHKO-GFCCVEGCSA-N 0 1 283.799 3.030 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000817418890 632147165 /nfs/dbraw/zinc/14/71/65/632147165.db2.gz KHHVGDJQILFHKO-GFCCVEGCSA-N 0 1 283.799 3.030 20 10 CGCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1ccnn1C ZINC000866612653 633212920 /nfs/dbraw/zinc/21/29/20/633212920.db2.gz AYEVQEAVVBHKAS-NXEZZACHSA-N 0 1 279.771 3.191 20 10 CGCDMN CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000866635891 633224082 /nfs/dbraw/zinc/22/40/82/633224082.db2.gz UUJCMEROQNDOHF-JFGNBEQYSA-N 0 1 271.788 3.246 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](CCO)C2CCCC2)cc1Cl ZINC000824484565 633250294 /nfs/dbraw/zinc/25/02/94/633250294.db2.gz LWYXBPDJPWUYPN-UHFFFAOYSA-N 0 1 283.799 3.091 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](CCO)C2CCCC2)cc1Cl ZINC000824484565 633250299 /nfs/dbraw/zinc/25/02/99/633250299.db2.gz LWYXBPDJPWUYPN-UHFFFAOYSA-N 0 1 283.799 3.091 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000824750094 633283406 /nfs/dbraw/zinc/28/34/06/633283406.db2.gz CXVGFZJDMSHHGM-LBPRGKRZSA-N 0 1 295.810 3.485 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC000824895607 633302741 /nfs/dbraw/zinc/30/27/41/633302741.db2.gz ZZFNBCYEAIMAKT-OLZOCXBDSA-N 0 1 295.810 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC000824895607 633302746 /nfs/dbraw/zinc/30/27/46/633302746.db2.gz ZZFNBCYEAIMAKT-OLZOCXBDSA-N 0 1 295.810 3.212 20 10 CGCDMN CCc1nc(CN[C@@H](CC)c2ccccc2O)co1 ZINC000825061459 633324855 /nfs/dbraw/zinc/32/48/55/633324855.db2.gz GJJQWIADLOUJHV-ZDUSSCGKSA-N 0 1 260.337 3.184 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCOCC12CCCCC2 ZINC000825098870 633328889 /nfs/dbraw/zinc/32/88/89/633328889.db2.gz PNIITNYIZSJEAV-UHFFFAOYSA-N 0 1 279.355 3.066 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133534 633331679 /nfs/dbraw/zinc/33/16/79/633331679.db2.gz JJBFBGSXVICWSV-HNNXBMFYSA-N 0 1 281.783 3.048 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCCO2)cc1Cl ZINC000825142778 633331737 /nfs/dbraw/zinc/33/17/37/633331737.db2.gz BYSFIVUOPGOKHH-GFCCVEGCSA-N 0 1 269.772 3.013 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2cnc(C3CC3)o2)c1 ZINC000825178942 633334580 /nfs/dbraw/zinc/33/45/80/633334580.db2.gz IYPOJNQFYLCZTR-SNVBAGLBSA-N 0 1 288.347 3.117 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCCO1 ZINC000825390195 633351577 /nfs/dbraw/zinc/35/15/77/633351577.db2.gz CHZHTAZLFBQMEL-HIFRSBDPSA-N 0 1 283.799 3.401 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000825396658 633352158 /nfs/dbraw/zinc/35/21/58/633352158.db2.gz WFACXFVGCOCUSU-PTEHBNRSSA-N 0 1 283.799 3.400 20 10 CGCDMN CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000825634548 633369065 /nfs/dbraw/zinc/36/90/65/633369065.db2.gz OJYLUCIQAWBUSQ-HNNXBMFYSA-N 0 1 283.799 3.091 20 10 CGCDMN CC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000825634548 633369067 /nfs/dbraw/zinc/36/90/67/633369067.db2.gz OJYLUCIQAWBUSQ-HNNXBMFYSA-N 0 1 283.799 3.091 20 10 CGCDMN CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825773397 633381624 /nfs/dbraw/zinc/38/16/24/633381624.db2.gz FWJNUQLKPPWKRH-ZFWWWQNUSA-N 0 1 283.799 3.401 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CCC([C@H](C)CO)CC2)cc1Cl ZINC000826139704 633407295 /nfs/dbraw/zinc/40/72/95/633407295.db2.gz LVCJHJCPWBXELV-GFCCVEGCSA-N 0 1 297.826 3.194 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CC(CF)(CF)C1 ZINC000826140043 633407628 /nfs/dbraw/zinc/40/76/28/633407628.db2.gz WCIAYDZERTUKOV-UHFFFAOYSA-N 0 1 275.726 3.223 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000827507287 633495327 /nfs/dbraw/zinc/49/53/27/633495327.db2.gz WZEPENOFYJPLDE-GHMZBOCLSA-N 0 1 296.208 3.305 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1(CO)CCCCC1 ZINC000122865332 633524727 /nfs/dbraw/zinc/52/47/27/633524727.db2.gz LDWQFVWIEMBNOX-UHFFFAOYSA-N 0 1 283.799 3.078 20 10 CGCDMN CC[C@@H](NCc1nnc(C2CC2)s1)c1ccccc1O ZINC000828686933 633642304 /nfs/dbraw/zinc/64/23/04/633642304.db2.gz CBBCXLKTGIUIQF-GFCCVEGCSA-N 0 1 289.404 3.362 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846118741 636147634 /nfs/dbraw/zinc/14/76/34/636147634.db2.gz YUDCYWRNWJQBLO-GFCCVEGCSA-N 0 1 291.700 3.416 20 10 CGCDMN CSC1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000872626127 634178629 /nfs/dbraw/zinc/17/86/29/634178629.db2.gz HDNGGWQHPDEJOF-UHFFFAOYSA-N 0 1 288.416 3.268 20 10 CGCDMN CN(C)c1ccc(/C=C\CN(C)Cc2ccoc2)cc1 ZINC000835025399 634324564 /nfs/dbraw/zinc/32/45/64/634324564.db2.gz FLMZKGNKNBBQFQ-PLNGDYQASA-N 0 1 270.376 3.491 20 10 CGCDMN C[C@H](N[C@@H](C)c1cc(Cl)ccc1O)c1ccn(C)n1 ZINC000840817941 635057905 /nfs/dbraw/zinc/05/79/05/635057905.db2.gz XQMSUASRGUIBOE-UWVGGRQHSA-N 0 1 279.771 3.191 20 10 CGCDMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877517593 635068489 /nfs/dbraw/zinc/06/84/89/635068489.db2.gz OPDZICAURYXURI-DGCLKSJQSA-N 0 1 299.361 3.186 20 10 CGCDMN CO[C@H]1CCC[C@H]1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840908055 635079937 /nfs/dbraw/zinc/07/99/37/635079937.db2.gz NXYQBDXBNJDUTG-NHYWBVRUSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCCCO2)c(Cl)c1 ZINC000840936024 635085856 /nfs/dbraw/zinc/08/58/56/635085856.db2.gz DEPPFPBURAESFJ-GFCCVEGCSA-N 0 1 283.799 3.403 20 10 CGCDMN CO[C@]1(C)CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840940780 635087063 /nfs/dbraw/zinc/08/70/63/635087063.db2.gz FKCLWTVXDFQXLO-OAHLLOKOSA-N 0 1 283.799 3.355 20 10 CGCDMN CO[C@]1(C)CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840940780 635087069 /nfs/dbraw/zinc/08/70/69/635087069.db2.gz FKCLWTVXDFQXLO-OAHLLOKOSA-N 0 1 283.799 3.355 20 10 CGCDMN COC(=O)CCCCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840946270 635089197 /nfs/dbraw/zinc/08/91/97/635089197.db2.gz MSOPWXADDDWSGR-UHFFFAOYSA-N 0 1 299.798 3.177 20 10 CGCDMN Cc1cccc(O)c1C[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000877607854 635109564 /nfs/dbraw/zinc/10/95/64/635109564.db2.gz MSTYHUQDJPQATI-AWEZNQCLSA-N 0 1 275.392 3.092 20 10 CGCDMN Oc1cccc2c1C[N@@H+](CC1Cc3ccccc3C1)C2 ZINC000877702537 635153934 /nfs/dbraw/zinc/15/39/34/635153934.db2.gz AMOPWYUJTJJAON-UHFFFAOYSA-N 0 1 265.356 3.123 20 10 CGCDMN CC(C)(C)OC1CN(Cc2cccc(Cl)c2O)C1 ZINC000877769882 635195717 /nfs/dbraw/zinc/19/57/17/635195717.db2.gz MMMDEGXOJBCZHR-UHFFFAOYSA-N 0 1 269.772 3.045 20 10 CGCDMN CC(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747547 635224413 /nfs/dbraw/zinc/22/44/13/635224413.db2.gz RCFRFBQCUBIBHJ-PWSUYJOCSA-N 0 1 271.788 3.103 20 10 CGCDMN C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841750812 635225028 /nfs/dbraw/zinc/22/50/28/635225028.db2.gz JDRJKWAZTBVHQG-WRWORJQWSA-N 0 1 297.704 3.010 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(Cl)cc1[O-] ZINC000841755571 635229961 /nfs/dbraw/zinc/22/99/61/635229961.db2.gz JIDPILAEEBZZIY-ZANVPECISA-N 0 1 269.772 3.264 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCCCS1 ZINC000127351874 635632129 /nfs/dbraw/zinc/63/21/29/635632129.db2.gz QAPRJJGYBJGLKW-SNVBAGLBSA-N 0 1 271.813 3.421 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000843417596 635662660 /nfs/dbraw/zinc/66/26/60/635662660.db2.gz VECNVZGKFCDYHN-SWLSCSKDSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000843417596 635662664 /nfs/dbraw/zinc/66/26/64/635662664.db2.gz VECNVZGKFCDYHN-SWLSCSKDSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000846042759 636137450 /nfs/dbraw/zinc/13/74/50/636137450.db2.gz PDHBNQIGWCOZBP-INIZCTEOSA-N 0 1 295.810 3.340 20 10 CGCDMN CC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@H](C)CO1 ZINC000846045411 636138039 /nfs/dbraw/zinc/13/80/39/636138039.db2.gz XCSUYSBLXUCUDA-BXKDBHETSA-N 0 1 287.762 3.184 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+]CC1(C2CC2)CC1 ZINC000130679810 636493186 /nfs/dbraw/zinc/49/31/86/636493186.db2.gz AIZSWFZJQPDZJY-UHFFFAOYSA-N 0 1 296.208 3.435 20 10 CGCDMN COc1ccc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1C ZINC000883234992 636604640 /nfs/dbraw/zinc/60/46/40/636604640.db2.gz QSWNJBKRDQCCNI-IZAXUBKRSA-N 0 1 297.398 3.143 20 10 CGCDMN C[C@@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nccn1C ZINC000850571780 637128816 /nfs/dbraw/zinc/12/88/16/637128816.db2.gz AOOMZXZTIGOKDN-FOGDFJRCSA-N 0 1 289.354 3.164 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C1CC2(CCC2)C1 ZINC000829314668 638215950 /nfs/dbraw/zinc/21/59/50/638215950.db2.gz SQMITKZNKGEGBF-UHFFFAOYSA-N 0 1 251.757 3.468 20 10 CGCDMN C/C=C/C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000858538411 638757524 /nfs/dbraw/zinc/75/75/24/638757524.db2.gz UOTYBPSCGXYIAL-CDAZIORVSA-N 0 1 270.170 3.381 20 10 CGCDMN C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000858547737 638759175 /nfs/dbraw/zinc/75/91/75/638759175.db2.gz OAZWZLSJYTXLTN-UAKXVISKSA-N 0 1 281.783 3.264 20 10 CGCDMN CSc1ccc2nc(-c3ccc(O)c(O)c3)[nH]c2c1 ZINC001250465081 805634004 /nfs/dbraw/zinc/63/40/04/805634004.db2.gz XISLLWQWGQAXKR-UHFFFAOYSA-N 0 1 272.329 3.363 20 10 CGCDMN CC(C)Oc1ccnc(NCc2ccc(N)cc2)c1 ZINC001162785932 806665700 /nfs/dbraw/zinc/66/57/00/806665700.db2.gz QBSAPROXOCCECY-UHFFFAOYSA-N 0 1 257.337 3.063 20 10 CGCDMN CC[C@H](C)C[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037323316 798866315 /nfs/dbraw/zinc/86/63/15/798866315.db2.gz NYFGUEVZYAJURX-JTQLQIEISA-N 0 1 267.344 3.212 20 10 CGCDMN CN(C)c1ccc(CNCc2ccc(Cl)o2)cc1 ZINC000037486739 798867482 /nfs/dbraw/zinc/86/74/82/798867482.db2.gz IGNCHUCFDUUJEZ-UHFFFAOYSA-N 0 1 264.756 3.289 20 10 CGCDMN C[N@H+](Cc1cccc(F)c1[O-])CC1CC(F)(F)C1 ZINC000383488158 799402866 /nfs/dbraw/zinc/40/28/66/799402866.db2.gz FRMVOTPBLRCFEK-UHFFFAOYSA-N 0 1 259.271 3.008 20 10 CGCDMN CC[C@@H](C)[C@H](C[NH2+]Cc1c([O-])cccc1Cl)OC ZINC000394480914 799496991 /nfs/dbraw/zinc/49/69/91/799496991.db2.gz LDTLXFDMECOERQ-YGRLFVJLSA-N 0 1 271.788 3.196 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCCOC1 ZINC000402771927 799564195 /nfs/dbraw/zinc/56/41/95/799564195.db2.gz UEFDAILOFMSVTL-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCCOC1 ZINC000402771927 799564197 /nfs/dbraw/zinc/56/41/97/799564197.db2.gz UEFDAILOFMSVTL-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN Cc1cnc(CC[NH2+]Cc2cc(Cl)ccc2[O-])c(C)c1 ZINC000689399211 799763139 /nfs/dbraw/zinc/76/31/39/799763139.db2.gz DHROGGQGUYAUPF-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cccc2c1OCC2 ZINC000692915036 799802842 /nfs/dbraw/zinc/80/28/42/799802842.db2.gz PHKINNOCIUFKQL-UHFFFAOYSA-N 0 1 289.762 3.270 20 10 CGCDMN COC[C@H]1CCCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000696612948 799840773 /nfs/dbraw/zinc/84/07/73/799840773.db2.gz ZOZIAFLZJRQOSX-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@H]1CCCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000696612948 799840777 /nfs/dbraw/zinc/84/07/77/799840777.db2.gz ZOZIAFLZJRQOSX-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN CCC1(C[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000701045785 799883761 /nfs/dbraw/zinc/88/37/61/799883761.db2.gz UWFRBMWNYKYXAQ-UHFFFAOYSA-N 0 1 284.197 3.435 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@H](C(F)(F)F)C2)ccc(F)c1F ZINC000703532677 799926290 /nfs/dbraw/zinc/92/62/90/799926290.db2.gz UTCYTCHTHUZAHU-VIFPVBQESA-N 0 1 295.251 3.445 20 10 CGCDMN C[N@H+](Cc1c([O-])cccc1Br)C(C)(C)C ZINC000707167533 799974926 /nfs/dbraw/zinc/97/49/26/799974926.db2.gz ZSPIAJARIFCNHY-UHFFFAOYSA-N 0 1 272.186 3.385 20 10 CGCDMN C[N@@H+](Cc1c([O-])cccc1Br)C(C)(C)C ZINC000707167533 799974930 /nfs/dbraw/zinc/97/49/30/799974930.db2.gz ZSPIAJARIFCNHY-UHFFFAOYSA-N 0 1 272.186 3.385 20 10 CGCDMN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000706526956 799963262 /nfs/dbraw/zinc/96/32/62/799963262.db2.gz JMEPNQSOIPSHJK-UBHSHLNASA-N 0 1 271.360 3.373 20 10 CGCDMN CCCC[NH2+]Cc1c([O-])cccc1Br ZINC000706809555 799967723 /nfs/dbraw/zinc/96/77/23/799967723.db2.gz FEAUMASNEYYTRI-UHFFFAOYSA-N 0 1 258.159 3.044 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711476698 800062717 /nfs/dbraw/zinc/06/27/17/800062717.db2.gz OTLLXWJGOZJMBZ-JTQLQIEISA-N 0 1 257.736 3.227 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000711476698 800062725 /nfs/dbraw/zinc/06/27/25/800062725.db2.gz OTLLXWJGOZJMBZ-JTQLQIEISA-N 0 1 257.736 3.227 20 10 CGCDMN C[C@@]1(CO)CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001117760052 802489769 /nfs/dbraw/zinc/48/97/69/802489769.db2.gz KLYNEUATNNWVDH-GOSISDBHSA-N 0 1 285.387 3.140 20 10 CGCDMN C[C@@]1(CO)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001117760052 802489775 /nfs/dbraw/zinc/48/97/75/802489775.db2.gz KLYNEUATNNWVDH-GOSISDBHSA-N 0 1 285.387 3.140 20 10 CGCDMN Cc1cc(O)c(CN(C)Cc2ccns2)cc1C ZINC001119334376 802650365 /nfs/dbraw/zinc/65/03/65/802650365.db2.gz SGMNRCKJUJGVCH-UHFFFAOYSA-N 0 1 262.378 3.098 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001138127442 803863000 /nfs/dbraw/zinc/86/30/00/803863000.db2.gz BRBLIIVKSSBINP-HNNXBMFYSA-N 0 1 286.350 3.133 20 10 CGCDMN C[C@@H]1C(=O)CC[N@@H+](Cc2cccc(F)c2[O-])C12CCCC2 ZINC001138130944 803865531 /nfs/dbraw/zinc/86/55/31/803865531.db2.gz LYZDUFXPTCLCGW-GFCCVEGCSA-N 0 1 291.366 3.255 20 10 CGCDMN COc1ccc(F)cc1CN1CCc2cccc(O)c2C1 ZINC001138376940 803909581 /nfs/dbraw/zinc/90/95/81/803909581.db2.gz XTRIPKVPODISDG-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](CC1CC1)C1CC1 ZINC001139133595 804134656 /nfs/dbraw/zinc/13/46/56/804134656.db2.gz IRIDJSQEOJFLGI-UHFFFAOYSA-N 0 1 299.370 3.181 20 10 CGCDMN CC(=O)[C@H]1CCCCN1Cc1ccc(N(C)C)c(C)c1 ZINC001139673920 804247056 /nfs/dbraw/zinc/24/70/56/804247056.db2.gz NGLDNDSXWHVZFJ-QGZVFWFLSA-N 0 1 274.408 3.005 20 10 CGCDMN COc1ccccc1C[N@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139685479 804252144 /nfs/dbraw/zinc/25/21/44/804252144.db2.gz ZZLJLLSXLNMEPA-UHFFFAOYSA-N 0 1 293.313 3.311 20 10 CGCDMN COc1ccccc1C[N@@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139685479 804252149 /nfs/dbraw/zinc/25/21/49/804252149.db2.gz ZZLJLLSXLNMEPA-UHFFFAOYSA-N 0 1 293.313 3.311 20 10 CGCDMN O=C1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])[C@H]2CCCC[C@H]12 ZINC001139685875 804252583 /nfs/dbraw/zinc/25/25/83/804252583.db2.gz ZSNANDXDZXSPFU-HZMBPMFUSA-N 0 1 295.329 3.004 20 10 CGCDMN O=C1CC[N@H+](Cc2c(F)ccc(F)c2[O-])[C@H]2CCCC[C@H]12 ZINC001139685875 804252590 /nfs/dbraw/zinc/25/25/90/804252590.db2.gz ZSNANDXDZXSPFU-HZMBPMFUSA-N 0 1 295.329 3.004 20 10 CGCDMN C[N@@H+](CCc1ccccc1F)Cc1c(F)ccc(F)c1[O-] ZINC001139686575 804255216 /nfs/dbraw/zinc/25/52/16/804255216.db2.gz BCUSZRFVBDEABI-UHFFFAOYSA-N 0 1 295.304 3.484 20 10 CGCDMN OCCN(Cc1cccs1)Cc1c(O)cccc1Cl ZINC001140344041 804419472 /nfs/dbraw/zinc/41/94/72/804419472.db2.gz FCEUXRQJOPCNGA-UHFFFAOYSA-N 0 1 297.807 3.102 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001140342089 804420073 /nfs/dbraw/zinc/42/00/73/804420073.db2.gz UHWCYRCUGCTSTL-UHFFFAOYSA-N 0 1 289.762 3.310 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001140342089 804420078 /nfs/dbraw/zinc/42/00/78/804420078.db2.gz UHWCYRCUGCTSTL-UHFFFAOYSA-N 0 1 289.762 3.310 20 10 CGCDMN CC(C)[N@H+](CCCCCO)Cc1c([O-])cccc1Cl ZINC001140342463 804420806 /nfs/dbraw/zinc/42/08/06/804420806.db2.gz KCOJAXZCLBNJRJ-UHFFFAOYSA-N 0 1 285.815 3.419 20 10 CGCDMN CC(C)[N@@H+](CCCCCO)Cc1c([O-])cccc1Cl ZINC001140342463 804420810 /nfs/dbraw/zinc/42/08/10/804420810.db2.gz KCOJAXZCLBNJRJ-UHFFFAOYSA-N 0 1 285.815 3.419 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001140461885 804441042 /nfs/dbraw/zinc/44/10/42/804441042.db2.gz WXPFPZJRJJYXQQ-GHMZBOCLSA-N 0 1 251.757 3.278 20 10 CGCDMN CCOCC1CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140464720 804441257 /nfs/dbraw/zinc/44/12/57/804441257.db2.gz AWZXITDPLPRENQ-UHFFFAOYSA-N 0 1 283.799 3.294 20 10 CGCDMN CCCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466479 804444080 /nfs/dbraw/zinc/44/40/80/804444080.db2.gz HBDCEZIVGDFZOR-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN CCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466479 804444082 /nfs/dbraw/zinc/44/40/82/804444082.db2.gz HBDCEZIVGDFZOR-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN C[C@]1(CF)CC(F)(F)CN1Cc1c(O)cc(F)cc1F ZINC001140582044 804466161 /nfs/dbraw/zinc/46/61/61/804466161.db2.gz ALRACACVDAWQCX-GFCCVEGCSA-N 0 1 295.251 3.240 20 10 CGCDMN CCC[N@H+](Cc1c(O)cc(OC)cc1OC)CC1CC1 ZINC001141032344 804575593 /nfs/dbraw/zinc/57/55/93/804575593.db2.gz ZDNGCRNPJVVOPS-UHFFFAOYSA-N 0 1 279.380 3.031 20 10 CGCDMN CCC[N@@H+](Cc1c([O-])cc(OC)cc1OC)CC1CC1 ZINC001141032344 804575594 /nfs/dbraw/zinc/57/55/94/804575594.db2.gz ZDNGCRNPJVVOPS-UHFFFAOYSA-N 0 1 279.380 3.031 20 10 CGCDMN CCC[N@H+](Cc1c([O-])cc(OC)cc1OC)CC1CC1 ZINC001141032344 804575595 /nfs/dbraw/zinc/57/55/95/804575595.db2.gz ZDNGCRNPJVVOPS-UHFFFAOYSA-N 0 1 279.380 3.031 20 10 CGCDMN CCN(Cc1[nH]cnc1C(C)(C)C)Cc1ccccc1O ZINC001142234922 804705813 /nfs/dbraw/zinc/70/58/13/804705813.db2.gz KHXPCXRSNDHOES-UHFFFAOYSA-N 0 1 287.407 3.435 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001142513074 804729237 /nfs/dbraw/zinc/72/92/37/804729237.db2.gz VZXABMQNVKHLTQ-WDEREUQCSA-N 0 1 267.319 3.292 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001142524655 804731757 /nfs/dbraw/zinc/73/17/57/804731757.db2.gz FXZGDOLURCAZHR-GFCCVEGCSA-N 0 1 290.313 3.055 20 10 CGCDMN CC[N@@H+](Cc1ccccc1O)Cc1cc(F)c(F)cc1[O-] ZINC001142527053 804732857 /nfs/dbraw/zinc/73/28/57/804732857.db2.gz IOXGPNGFIMXYPO-UHFFFAOYSA-N 0 1 293.313 3.398 20 10 CGCDMN C[N@@H+](Cc1ccc(Cl)nc1)Cc1cc(F)c(F)cc1[O-] ZINC001142527421 804734225 /nfs/dbraw/zinc/73/42/25/804734225.db2.gz UIRLWHOUFYCMBO-UHFFFAOYSA-N 0 1 298.720 3.351 20 10 CGCDMN C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)C[C@@H](C)O1 ZINC001143101218 804800038 /nfs/dbraw/zinc/80/00/38/804800038.db2.gz BKCKQRUWOWMKSP-CHWSQXEVSA-N 0 1 277.408 3.299 20 10 CGCDMN C[N@H+](Cc1cc(Br)c(F)cc1[O-])CC1CC1 ZINC001144298282 804969731 /nfs/dbraw/zinc/96/97/31/804969731.db2.gz ATDFXIGHGXZWHD-UHFFFAOYSA-N 0 1 288.160 3.136 20 10 CGCDMN CCN(Cc1ncn2ccccc12)Cc1ccccc1O ZINC001144625443 805017566 /nfs/dbraw/zinc/01/75/66/805017566.db2.gz MOFNUJFXFQFBTC-UHFFFAOYSA-N 0 1 281.359 3.062 20 10 CGCDMN CCOCC[C@@H](C)[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001172418868 808302458 /nfs/dbraw/zinc/30/24/58/808302458.db2.gz HHMMLRMQNWUQDT-CYBMUJFWSA-N 0 1 273.376 3.450 20 10 CGCDMN Cc1cc(NCc2ccc(F)c(F)c2O)cnc1C ZINC001183526989 810151919 /nfs/dbraw/zinc/15/19/19/810151919.db2.gz SKPFUDKQVFMQBF-UHFFFAOYSA-N 0 1 264.275 3.294 20 10 CGCDMN C[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001204323410 812612557 /nfs/dbraw/zinc/61/25/57/812612557.db2.gz HRSARUUAQTVKMI-OAHLLOKOSA-N 0 1 286.419 3.088 20 10 CGCDMN c1cnc2c(c1)CCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204328920 812614610 /nfs/dbraw/zinc/61/46/10/812614610.db2.gz UCMWIADLONUVTB-UHFFFAOYSA-N 0 1 293.414 3.240 20 10 CGCDMN CC(C)[N@H+](C)[C@H]1CCN(Cc2c(O)ccc3ccccc32)C1 ZINC001231589301 818130480 /nfs/dbraw/zinc/13/04/80/818130480.db2.gz GAHDBZIGJJWIKX-INIZCTEOSA-N 0 1 298.430 3.460 20 10 CGCDMN CC(C)[N@@H+](C)[C@H]1CCN(Cc2c(O)ccc3ccccc32)C1 ZINC001231589301 818130486 /nfs/dbraw/zinc/13/04/86/818130486.db2.gz GAHDBZIGJJWIKX-INIZCTEOSA-N 0 1 298.430 3.460 20 10 CGCDMN CCCCN(CC(=O)OCC)Cc1c(C)cc(C)cc1O ZINC001231849144 818189350 /nfs/dbraw/zinc/18/93/50/818189350.db2.gz OFJDPBDNWNBPOI-UHFFFAOYSA-N 0 1 293.407 3.174 20 10 CGCDMN CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231883384 818201650 /nfs/dbraw/zinc/20/16/50/818201650.db2.gz JINHQMBKODOYHK-INIZCTEOSA-N 0 1 269.344 3.099 20 10 CGCDMN CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231883384 818201655 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ZINC001236234192 819395722 /nfs/dbraw/zinc/39/57/22/819395722.db2.gz YKEUGJQSUBNDDM-UHFFFAOYSA-N 0 1 288.778 3.186 20 10 CGCDMN CCc1ccc(CN2CCc3occc3C2)c(O)c1 ZINC001236791771 819596045 /nfs/dbraw/zinc/59/60/45/819596045.db2.gz KODQYJZUZDUVBV-UHFFFAOYSA-N 0 1 257.333 3.106 20 10 CGCDMN COc1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1Cl ZINC001236806585 819602659 /nfs/dbraw/zinc/60/26/59/819602659.db2.gz CYPCSIYDJIHVGA-KOLCDFICSA-N 0 1 267.756 3.039 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CC[C@H](OC)C[C@H]2C)c(Cl)c1 ZINC001236805407 819602844 /nfs/dbraw/zinc/60/28/44/819602844.db2.gz FSINOCIGESBCTR-MNOVXSKESA-N 0 1 299.798 3.054 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c(Cl)c1 ZINC001236805407 819602851 /nfs/dbraw/zinc/60/28/51/819602851.db2.gz FSINOCIGESBCTR-MNOVXSKESA-N 0 1 299.798 3.054 20 10 CGCDMN COc1ccc(C[N@@H+]2CCC[C@@H](OC)CC2)c([O-])c1Cl ZINC001236812234 819604745 /nfs/dbraw/zinc/60/47/45/819604745.db2.gz UCESXYQLRSRPRL-GFCCVEGCSA-N 0 1 299.798 3.055 20 10 CGCDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1Cl)[C@H]1CCCOC1 ZINC001237086717 819664295 /nfs/dbraw/zinc/66/42/95/819664295.db2.gz NWEQDWGDJPSNES-VIFPVBQESA-N 0 1 290.190 3.310 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1C2CCC1CC2 ZINC001237127185 819672926 /nfs/dbraw/zinc/67/29/26/819672926.db2.gz VEXTYZUJNIBNJB-UHFFFAOYSA-N 0 1 255.720 3.312 20 10 CGCDMN C[N@H+](CCc1ccccn1)Cc1c([O-])ccc(F)c1Cl ZINC001237122260 819673058 /nfs/dbraw/zinc/67/30/58/819673058.db2.gz SKWXBSXKNZLZGD-UHFFFAOYSA-N 0 1 294.757 3.254 20 10 CGCDMN C[N@@H+](CCc1ccccn1)Cc1c([O-])ccc(F)c1Cl ZINC001237122260 819673061 /nfs/dbraw/zinc/67/30/61/819673061.db2.gz SKWXBSXKNZLZGD-UHFFFAOYSA-N 0 1 294.757 3.254 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001237122839 819673750 /nfs/dbraw/zinc/67/37/50/819673750.db2.gz ZNSFHAZIGQEXOT-YGRLFVJLSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001237122839 819673754 /nfs/dbraw/zinc/67/37/54/819673754.db2.gz ZNSFHAZIGQEXOT-YGRLFVJLSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001237617987 819787467 /nfs/dbraw/zinc/78/74/67/819787467.db2.gz WCSWVTRFMWDWNB-YGRLFVJLSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1CF ZINC001237623351 819788316 /nfs/dbraw/zinc/78/83/16/819788316.db2.gz CDWCQKJQEBPFEY-SNVBAGLBSA-N 0 1 261.699 3.119 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1CF ZINC001237623351 819788319 /nfs/dbraw/zinc/78/83/19/819788319.db2.gz CDWCQKJQEBPFEY-SNVBAGLBSA-N 0 1 261.699 3.119 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]1CF ZINC001237623351 819788325 /nfs/dbraw/zinc/78/83/25/819788325.db2.gz CDWCQKJQEBPFEY-SNVBAGLBSA-N 0 1 261.699 3.119 20 10 CGCDMN [O-]c1cc(Cl)c(F)cc1CN1CC(F)(F)C[C@H]1CF ZINC001237934707 819884932 /nfs/dbraw/zinc/88/49/32/819884932.db2.gz NGLTZODLRKSVIX-QMMMGPOBSA-N 0 1 297.679 3.364 20 10 CGCDMN CCc1cccc(CNCc2c(F)cccc2OC)c1O ZINC001335117796 936130363 /nfs/dbraw/zinc/13/03/63/936130363.db2.gz NMHVMEMLPDKMKJ-UHFFFAOYSA-N 0 1 289.350 3.392 20 10 CGCDMN COc1ccnc(NCc2c(O)cc(C)cc2Cl)c1 ZINC001474098431 937202946 /nfs/dbraw/zinc/20/29/46/937202946.db2.gz XXQXXIANZGOUTR-UHFFFAOYSA-N 0 1 278.739 3.370 20 10 CGCDMN C[N@@H+](Cc1cccs1)Cc1cc(F)cc(F)c1[O-] ZINC001474315681 937204555 /nfs/dbraw/zinc/20/45/55/937204555.db2.gz SYLGGXQKNOTMPL-UHFFFAOYSA-N 0 1 269.316 3.364 20 10 CGCDMN CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])CCS1 ZINC001461954717 928770078 /nfs/dbraw/zinc/77/00/78/928770078.db2.gz CHZZKSPKBSAYFM-GFCCVEGCSA-N 0 1 271.813 3.373 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])CCS1 ZINC001461954717 928770089 /nfs/dbraw/zinc/77/00/89/928770089.db2.gz CHZZKSPKBSAYFM-GFCCVEGCSA-N 0 1 271.813 3.373 20 10 CGCDMN CC(C)c1ccc(O)c(CN[C@H](C)c2ccn(C)n2)c1 ZINC001462334331 937632964 /nfs/dbraw/zinc/63/29/64/937632964.db2.gz NHZFYSRGNHXXKO-GFCCVEGCSA-N 0 1 273.380 3.100 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CC2(CCCC2)O1 ZINC001462408362 937638551 /nfs/dbraw/zinc/63/85/51/937638551.db2.gz VVTJPWJGMYORLE-NSHDSACASA-N 0 1 297.345 3.204 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C[C@H](C)O1 ZINC001462433543 937640651 /nfs/dbraw/zinc/64/06/51/937640651.db2.gz BVYVJVSDEFADSO-MNOVXSKESA-N 0 1 269.772 3.045 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@H](C)O1 ZINC001462433543 937640653 /nfs/dbraw/zinc/64/06/53/937640653.db2.gz BVYVJVSDEFADSO-MNOVXSKESA-N 0 1 269.772 3.045 20 10 CGCDMN CCCC[N@@H+](Cc1cc(F)c(F)cc1[O-])C1CC1 ZINC001308588693 933138201 /nfs/dbraw/zinc/13/82/01/933138201.db2.gz ACIZBCVIKAMHSY-UHFFFAOYSA-N 0 1 255.308 3.435 20 10 CGCDMN CC[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC001308632434 933146781 /nfs/dbraw/zinc/14/67/81/933146781.db2.gz ZXMYIPPQXYPVFL-YOBDTOFLSA-N 0 1 288.435 3.265 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+]CCCC(F)F ZINC001333796026 936067428 /nfs/dbraw/zinc/06/74/28/936067428.db2.gz LOIIFXBXFXBSND-UHFFFAOYSA-N 0 1 294.139 3.290 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC001474390345 937856777 /nfs/dbraw/zinc/85/67/77/937856777.db2.gz CKNQZMWSXNGCQI-AWEZNQCLSA-N 0 1 295.810 3.294 20 10 CGCDMN CO[C@](C)([C@H](C)[NH2+]Cc1ccc(Cl)cc1[O-])C1CC1 ZINC001308821539 958798519 /nfs/dbraw/zinc/79/85/19/958798519.db2.gz SEZOZUCWZQTIOK-ZUZCIYMTSA-N 0 1 283.799 3.339 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@H]1C(=O)[O-] ZINC001603462023 973311194 /nfs/dbraw/zinc/31/11/94/973311194.db2.gz XCLOWIKCIKMXDR-SWLSCSKDSA-N 0 1 299.370 3.088 20 10 CGCDMN CCCC[N@@H+](CCCCC(=O)[O-])Cc1ccccc1O ZINC001595744246 982407320 /nfs/dbraw/zinc/40/73/20/982407320.db2.gz BCKGWYBLQWBJPC-UHFFFAOYSA-N 0 1 279.380 3.249 20 10 CGCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(F)cn1 ZINC000092743051 345856026 /nfs/dbraw/zinc/85/60/26/345856026.db2.gz NDUPPNCNQFDFPE-NSHDSACASA-N 0 1 291.345 3.277 20 10 CGCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCOC1 ZINC000093840020 260332036 /nfs/dbraw/zinc/33/20/36/260332036.db2.gz LRAIZSVCEYKJTK-SECBINFHSA-N 0 1 290.190 3.167 20 10 CGCDMN CCc1nc(CC[NH2+]Cc2c([O-])cccc2Cl)cs1 ZINC000113333245 370471843 /nfs/dbraw/zinc/47/18/43/370471843.db2.gz WGSZZOOZSRMVCG-UHFFFAOYSA-N 0 1 296.823 3.397 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000294071224 372572721 /nfs/dbraw/zinc/57/27/21/372572721.db2.gz QMBCDIWGSUAFPU-JKSUJKDBSA-N 0 1 293.794 3.189 20 10 CGCDMN CC[C@H](O)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168826705 372621555 /nfs/dbraw/zinc/62/15/55/372621555.db2.gz MIIRPHZCBCKTAU-OCCSQVGLSA-N 0 1 273.376 3.357 20 10 CGCDMN COC[C@H](N[C@H]1CCc2cccc(O)c21)c1ccc(C)o1 ZINC000297516786 373274355 /nfs/dbraw/zinc/27/43/55/373274355.db2.gz CWORKZVUKVTSSJ-KBPBESRZSA-N 0 1 287.359 3.258 20 10 CGCDMN CCOC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180258260 373985519 /nfs/dbraw/zinc/98/55/19/373985519.db2.gz CWWXIJJAGTZCNN-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000191639627 375645603 /nfs/dbraw/zinc/64/56/03/375645603.db2.gz YKNQRFZRIZNLFQ-LPEHRKFASA-N 0 1 257.761 3.120 20 10 CGCDMN C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc2ccccc2c1[O-] ZINC000228847689 376451072 /nfs/dbraw/zinc/45/10/72/376451072.db2.gz YFNIJCNUTGHFQK-KNXALSJPSA-N 0 1 285.387 3.355 20 10 CGCDMN CCCO[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC000272246353 378594560 /nfs/dbraw/zinc/59/45/60/378594560.db2.gz HMDPSHDUWCOOAV-CQSZACIVSA-N 0 1 281.371 3.312 20 10 CGCDMN CCC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCOCC1 ZINC000273596454 378755621 /nfs/dbraw/zinc/75/56/21/378755621.db2.gz QVFSHWBWWNDCNO-LBPRGKRZSA-N 0 1 281.371 3.389 20 10 CGCDMN C[C@@H](N[C@@H](C)c1ccc2ccccc2c1O)c1nncn1C ZINC000273598057 378755640 /nfs/dbraw/zinc/75/56/40/378755640.db2.gz RCQSLIVYBHOYOI-NWDGAFQWSA-N 0 1 296.374 3.086 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375300733 379489568 /nfs/dbraw/zinc/48/95/68/379489568.db2.gz CJCMBSHIEFUAQD-HNNXBMFYSA-N 0 1 299.773 3.187 20 10 CGCDMN Cc1cc(CNCc2ccc(N3CCCCC3)cc2)n(C)n1 ZINC000284133685 380128778 /nfs/dbraw/zinc/12/87/78/380128778.db2.gz YGARSPVIZMOZMS-UHFFFAOYSA-N 0 1 298.434 3.009 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc2ccccc2c1[O-] ZINC000109543538 392365734 /nfs/dbraw/zinc/36/57/34/392365734.db2.gz UHOPRBXSUYQVEZ-TZMCWYRMSA-N 0 1 271.360 3.375 20 10 CGCDMN COc1cc(Cl)cc(C[N@H+]2CCC=C(C)C2)c1O ZINC000281904790 393367627 /nfs/dbraw/zinc/36/76/27/393367627.db2.gz XOVRCMPXVBFLNX-UHFFFAOYSA-N 0 1 267.756 3.206 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](C)C2CC2)c1[O-] ZINC000037328732 173129446 /nfs/dbraw/zinc/12/94/46/173129446.db2.gz IDYBBAFYRDOUHI-VIFPVBQESA-N 0 1 281.783 3.479 20 10 CGCDMN Cc1noc(C)c1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000092328635 260269209 /nfs/dbraw/zinc/26/92/09/260269209.db2.gz HRWBPAIOWZVVFK-NSHDSACASA-N 0 1 273.380 3.208 20 10 CGCDMN C[C@H]([NH2+]CCCN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184843035 262031041 /nfs/dbraw/zinc/03/10/41/262031041.db2.gz ZNZMPDSVFLPAIA-VIFPVBQESA-N 0 1 291.222 3.301 20 10 CGCDMN C[C@H]([NH2+]CCc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000184980310 262035711 /nfs/dbraw/zinc/03/57/11/262035711.db2.gz ZKXZVPORUGOWSD-NSHDSACASA-N 0 1 276.767 3.334 20 10 CGCDMN CC[C@@H](COC)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185503858 262057108 /nfs/dbraw/zinc/05/71/08/262057108.db2.gz UASHGQBVIOYBOX-KOLCDFICSA-N 0 1 257.761 3.121 20 10 CGCDMN C[C@@H]([NH2+]CCCC(C)(C)CO)c1cc(Cl)ccc1[O-] ZINC000185537227 262059359 /nfs/dbraw/zinc/05/93/59/262059359.db2.gz NCQPZQISALAQBO-LLVKDONJSA-N 0 1 285.815 3.495 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc2ccccc2c1[O-] ZINC000185142093 262303095 /nfs/dbraw/zinc/30/30/95/262303095.db2.gz XTIAGWVGASWRGY-ZFWWWQNUSA-N 0 1 284.403 3.290 20 10 CGCDMN CC(C)c1nnc([C@@H](C)N[C@H](C)c2ccccc2O)[nH]1 ZINC000272852028 328200873 /nfs/dbraw/zinc/20/08/73/328200873.db2.gz LHHCGPXMAAPTHD-GHMZBOCLSA-N 0 1 274.368 3.046 20 10 CGCDMN Cc1cccc([C@H](O)C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000136474657 327518747 /nfs/dbraw/zinc/51/87/47/327518747.db2.gz CELHMGYFADAPQX-MRXNPFEDSA-N 0 1 291.778 3.177 20 10 CGCDMN C[C@H]1c2cccn2CCN1Cc1cccc(Cl)c1O ZINC000183512641 329248204 /nfs/dbraw/zinc/24/82/04/329248204.db2.gz DJFPOXGGTYNKEU-NSHDSACASA-N 0 1 276.767 3.424 20 10 CGCDMN C[C@H]1c2cccn2CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000183512641 329248206 /nfs/dbraw/zinc/24/82/06/329248206.db2.gz DJFPOXGGTYNKEU-NSHDSACASA-N 0 1 276.767 3.424 20 10 CGCDMN CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000527799750 330284189 /nfs/dbraw/zinc/28/41/89/330284189.db2.gz MLCDSERNHJSUCC-KGLIPLIRSA-N 0 1 269.772 3.091 20 10 CGCDMN CCCN(Cc1cc(C)on1)Cc1ccccc1O ZINC000069009883 521680890 /nfs/dbraw/zinc/68/08/90/521680890.db2.gz IVWSVGFXVBITQU-UHFFFAOYSA-N 0 1 260.337 3.101 20 10 CGCDMN C[N@H+](CCC1CCOCC1)Cc1c([O-])cccc1Cl ZINC000129666404 522719484 /nfs/dbraw/zinc/71/94/84/522719484.db2.gz IBZHLQZEIWHWRY-UHFFFAOYSA-N 0 1 283.799 3.294 20 10 CGCDMN C[N@@H+](CCC1CCOCC1)Cc1c([O-])cccc1Cl ZINC000129666404 522719489 /nfs/dbraw/zinc/71/94/89/522719489.db2.gz IBZHLQZEIWHWRY-UHFFFAOYSA-N 0 1 283.799 3.294 20 10 CGCDMN C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000290079905 525667069 /nfs/dbraw/zinc/66/70/69/525667069.db2.gz GQTFLQOQTFUUDS-QMTHXVAHSA-N 0 1 283.799 3.247 20 10 CGCDMN COc1cccc(CN2CC(C)(C)[C@@H]2c2cccnc2)c1O ZINC000366541867 525931487 /nfs/dbraw/zinc/93/14/87/525931487.db2.gz AMPBXGPTBFQULT-KRWDZBQOSA-N 0 1 298.386 3.379 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000275943577 526363234 /nfs/dbraw/zinc/36/32/34/526363234.db2.gz IOCZXIRGAQDDAJ-MRXNPFEDSA-N 0 1 295.810 3.437 20 10 CGCDMN O=C([O-])CCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000738575981 572380221 /nfs/dbraw/zinc/38/02/21/572380221.db2.gz PLMPWQWFTAMFSK-UHFFFAOYSA-N 0 1 277.364 3.002 20 10 CGCDMN COc1cccc(O)c1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000725847287 572439630 /nfs/dbraw/zinc/43/96/30/572439630.db2.gz YMKYLSHFYOWSOU-YPMHNXCESA-N 0 1 287.359 3.407 20 10 CGCDMN CC(C)[C@H]1CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792173490 629344583 /nfs/dbraw/zinc/34/45/83/629344583.db2.gz ZUUOMSLNUGQMEW-LLVKDONJSA-N 0 1 257.736 3.415 20 10 CGCDMN COC[C@H](NCc1cc(Cl)ccc1O)c1ccc(C)o1 ZINC000177568558 617933411 /nfs/dbraw/zinc/93/34/11/617933411.db2.gz GZMYFQSREDQGGQ-ZDUSSCGKSA-N 0 1 295.766 3.424 20 10 CGCDMN [O-]c1cccc(Cl)c1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000121322085 618172140 /nfs/dbraw/zinc/17/21/40/618172140.db2.gz IWIZZIOXGAIRKL-CYBMUJFWSA-N 0 1 294.826 3.106 20 10 CGCDMN CCC(C)(C)OCC[NH2+]Cc1c([O-])cccc1Cl ZINC000308751079 618394196 /nfs/dbraw/zinc/39/41/96/618394196.db2.gz UOUPBEPYAXBWFR-UHFFFAOYSA-N 0 1 271.788 3.340 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccoc1 ZINC000163757123 618890861 /nfs/dbraw/zinc/89/08/61/618890861.db2.gz QTONHILUYFBEGS-UHFFFAOYSA-N 0 1 282.137 3.038 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(CCCO)CC1 ZINC000783598870 618913783 /nfs/dbraw/zinc/91/37/83/618913783.db2.gz CLNAUNGOWBIYAT-UHFFFAOYSA-N 0 1 283.799 3.030 20 10 CGCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C1(C)CC1 ZINC000309762977 618951690 /nfs/dbraw/zinc/95/16/90/618951690.db2.gz JCCSRFZLRKWILY-VIFPVBQESA-N 0 1 284.197 3.433 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2CC(F)(F)C2)c(Cl)c1 ZINC000840947769 619249225 /nfs/dbraw/zinc/24/92/25/619249225.db2.gz LRMICICTJVLSMW-UHFFFAOYSA-N 0 1 275.726 3.489 20 10 CGCDMN CC[C@H](NCc1cc(F)ccc1O)c1nccs1 ZINC000226610972 619276945 /nfs/dbraw/zinc/27/69/45/619276945.db2.gz KKTRSDUSZFCFQF-NSHDSACASA-N 0 1 266.341 3.229 20 10 CGCDMN C[C@@H]1C[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])[C@H](C)O1 ZINC000840962736 619282369 /nfs/dbraw/zinc/28/23/69/619282369.db2.gz FABRLUXTQBMDIA-DVOMOZLQSA-N 0 1 285.387 3.449 20 10 CGCDMN C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893932215 619335345 /nfs/dbraw/zinc/33/53/45/619335345.db2.gz ZGCNLFJQQKOFOB-VIFPVBQESA-N 0 1 267.275 3.456 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000894942103 619685156 /nfs/dbraw/zinc/68/51/56/619685156.db2.gz PHCKTBGKYVWRGQ-HNNXBMFYSA-N 0 1 299.386 3.390 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)ccc2ccccc21 ZINC000896408837 620002665 /nfs/dbraw/zinc/00/26/65/620002665.db2.gz AYNNOUGBCSFJPE-AEFFLSMTSA-N 0 1 283.371 3.203 20 10 CGCDMN CC[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])OC ZINC000841753002 620388356 /nfs/dbraw/zinc/38/83/56/620388356.db2.gz DLOSENKGTGNMJR-MWLCHTKSSA-N 0 1 257.761 3.121 20 10 CGCDMN Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841755767 620399434 /nfs/dbraw/zinc/39/94/34/620399434.db2.gz RTTOMMRRIDKQOU-YGRLFVJLSA-N 0 1 295.766 3.331 20 10 CGCDMN C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(Cl)cc1[O-] ZINC000841757396 620404255 /nfs/dbraw/zinc/40/42/55/620404255.db2.gz GCJTXKZMFQNWLR-YGRLFVJLSA-N 0 1 269.772 3.265 20 10 CGCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cncs1 ZINC000897935071 620452077 /nfs/dbraw/zinc/45/20/77/620452077.db2.gz RLDQWEJIWRAHMX-MRVPVSSYSA-N 0 1 268.769 3.353 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000186067262 625512148 /nfs/dbraw/zinc/51/21/48/625512148.db2.gz GJPAROGJZLKJGQ-UVBJJODRSA-N 0 1 271.360 3.109 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000227340280 623016419 /nfs/dbraw/zinc/01/64/19/623016419.db2.gz XTWOOLCPPLFWPH-ZDUSSCGKSA-N 0 1 269.772 3.094 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccsc1 ZINC000060942062 623083114 /nfs/dbraw/zinc/08/31/14/623083114.db2.gz TZFLBNUBSLOXSY-UHFFFAOYSA-N 0 1 253.754 3.397 20 10 CGCDMN C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(F)cc1O ZINC000062747870 623266484 /nfs/dbraw/zinc/26/64/84/623266484.db2.gz GHLAQHLYTBCBHJ-UONOGXRCSA-N 0 1 294.414 3.304 20 10 CGCDMN CC[C@@H](C)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000233824209 624647488 /nfs/dbraw/zinc/64/74/88/624647488.db2.gz DIDGWUMNYYKNQR-SECBINFHSA-N 0 1 272.186 3.290 20 10 CGCDMN CCN(CC)c1ccc(CNCc2ccoc2)cc1 ZINC000069832980 624908744 /nfs/dbraw/zinc/90/87/44/624908744.db2.gz YYJXQZYECMUGBK-UHFFFAOYSA-N 0 1 258.365 3.416 20 10 CGCDMN Cc1ccc(O)c(CN2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181920798 624912654 /nfs/dbraw/zinc/91/26/54/624912654.db2.gz MOQGGRGKTCNJKN-SFHVURJKSA-N 0 1 297.398 3.144 20 10 CGCDMN C[C@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCCCO1 ZINC000922820705 626051747 /nfs/dbraw/zinc/05/17/47/626051747.db2.gz RMDGXETVKQCBHB-CQSZACIVSA-N 0 1 269.772 3.094 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000753576217 626456137 /nfs/dbraw/zinc/45/61/37/626456137.db2.gz PLIBWSWQQLEVNB-LBPRGKRZSA-N 0 1 263.381 3.269 20 10 CGCDMN COc1cccc([O-])c1C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000753576217 626456138 /nfs/dbraw/zinc/45/61/38/626456138.db2.gz PLIBWSWQQLEVNB-LBPRGKRZSA-N 0 1 263.381 3.269 20 10 CGCDMN CCN(CC)c1ccc(CNCc2ccnn2CC)cc1 ZINC000753849787 626467693 /nfs/dbraw/zinc/46/76/93/626467693.db2.gz WMMVJJSDHAILID-UHFFFAOYSA-N 0 1 286.423 3.039 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cc(Cl)ccc1[O-] ZINC000756496955 626709945 /nfs/dbraw/zinc/70/99/45/626709945.db2.gz YJBKJRNSRCRCFE-WDEREUQCSA-N 0 1 291.782 3.117 20 10 CGCDMN CC(C)C[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756498003 626710009 /nfs/dbraw/zinc/71/00/09/626710009.db2.gz SAMMNBDNXGBTDM-ZYHUDNBSSA-N 0 1 271.788 3.103 20 10 CGCDMN COC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(C)C ZINC000756599350 626719760 /nfs/dbraw/zinc/71/97/60/626719760.db2.gz ZPLUGISTUAQESV-MFKMUULPSA-N 0 1 271.788 3.367 20 10 CGCDMN CCC1(O)CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000756665377 626726108 /nfs/dbraw/zinc/72/61/08/626726108.db2.gz UXPOHOZVXQTIRI-XOMBGVMMSA-N 0 1 281.371 3.266 20 10 CGCDMN C[C@@H](NCc1nn(C)c2ccccc12)c1cc(F)ccc1O ZINC000760898125 627001254 /nfs/dbraw/zinc/00/12/54/627001254.db2.gz OJIONPWMPSBJEP-LLVKDONJSA-N 0 1 299.349 3.269 20 10 CGCDMN Cc1cc(CN(C)C)cc(NC(=O)C2=CC(=O)CS2)c1 ZINC000765280516 627244975 /nfs/dbraw/zinc/24/49/75/627244975.db2.gz NDRAZGKPHCVNNJ-UHFFFAOYSA-N 0 1 290.388 3.076 20 10 CGCDMN CCOc1ccc(C[N@@H+](C)C[C@@H](C)CC)c(O)c1 ZINC000768766346 627497137 /nfs/dbraw/zinc/49/71/37/627497137.db2.gz JLPYNNURNBFPSU-LBPRGKRZSA-N 0 1 251.370 3.269 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000769315883 627540195 /nfs/dbraw/zinc/54/01/95/627540195.db2.gz XAJFEHWFIZTIBL-OAHLLOKOSA-N 0 1 263.381 3.411 20 10 CGCDMN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000769315883 627540196 /nfs/dbraw/zinc/54/01/96/627540196.db2.gz XAJFEHWFIZTIBL-OAHLLOKOSA-N 0 1 263.381 3.411 20 10 CGCDMN CCN(CC)c1ccc(CN2CCOC[C@H](C)C2)cc1F ZINC000769457799 627554989 /nfs/dbraw/zinc/55/49/89/627554989.db2.gz UTAXTWKMZVZIMD-CQSZACIVSA-N 0 1 294.414 3.140 20 10 CGCDMN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(N(C)CC)cc1 ZINC000773730731 627908570 /nfs/dbraw/zinc/90/85/70/627908570.db2.gz PZJDMDSEUVNKMS-HOCLYGCPSA-N 0 1 276.424 3.142 20 10 CGCDMN CCN(C)c1ccc(CN2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000773831895 627917953 /nfs/dbraw/zinc/91/79/53/627917953.db2.gz JYWKYTRGKRKJME-CZUORRHYSA-N 0 1 264.388 3.323 20 10 CGCDMN CC[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775503595 628101658 /nfs/dbraw/zinc/10/16/58/628101658.db2.gz KEYZJDCZOZXPRB-ZFWWWQNUSA-N 0 1 283.799 3.247 20 10 CGCDMN CC[C@@H]([NH2+]CCc1ccn(C)n1)c1cc(Cl)ccc1[O-] ZINC000775556393 628106525 /nfs/dbraw/zinc/10/65/25/628106525.db2.gz YHDAUDZNVADPLG-CQSZACIVSA-N 0 1 293.798 3.063 20 10 CGCDMN CCO[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C12CCC2 ZINC000776176992 628176497 /nfs/dbraw/zinc/17/64/97/628176497.db2.gz HPSHZVGMPQOVRC-GJZGRUSLSA-N 0 1 295.810 3.483 20 10 CGCDMN CO[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)C(C)(C)C ZINC000776219317 628181721 /nfs/dbraw/zinc/18/17/21/628181721.db2.gz FJQDLFHZTPSPTM-ZDUSSCGKSA-N 0 1 271.788 3.196 20 10 CGCDMN Cc1nccnc1[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000783294263 628700198 /nfs/dbraw/zinc/70/01/98/628700198.db2.gz IWYASSDZHZDYGM-JSGCOSHPSA-N 0 1 284.407 3.263 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1cc(Cl)ccc1[O-] ZINC000783310207 628702424 /nfs/dbraw/zinc/70/24/24/628702424.db2.gz LPRNMBCWXSPVMC-JQWIXIFHSA-N 0 1 267.756 3.389 20 10 CGCDMN CO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1C ZINC000784666963 628828185 /nfs/dbraw/zinc/82/81/85/628828185.db2.gz CNEXOBMWKOKPHT-TVQRCGJNSA-N 0 1 287.762 3.042 20 10 CGCDMN c1nc(C2CC2)c(CNCc2ccc3c(c2)CCO3)s1 ZINC000785446596 628862618 /nfs/dbraw/zinc/86/26/18/628862618.db2.gz FHCKVSRYCNJDHS-UHFFFAOYSA-N 0 1 286.400 3.245 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000789508830 629141677 /nfs/dbraw/zinc/14/16/77/629141677.db2.gz SDPGQDCRBGQTIO-FUHWJXTLSA-N 0 1 298.386 3.084 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000789508830 629141679 /nfs/dbraw/zinc/14/16/79/629141679.db2.gz SDPGQDCRBGQTIO-FUHWJXTLSA-N 0 1 298.386 3.084 20 10 CGCDMN Cc1cnc(NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000808088713 630622049 /nfs/dbraw/zinc/62/20/49/630622049.db2.gz AQMMXYQZWAHVPY-UHFFFAOYSA-N 0 1 284.146 3.410 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1[O-] ZINC000808709814 630668462 /nfs/dbraw/zinc/66/84/62/630668462.db2.gz ZQXLMILUFSJEQG-DRZSPHRISA-N 0 1 283.799 3.308 20 10 CGCDMN C[C@@H](NCc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC000809784698 630808980 /nfs/dbraw/zinc/80/89/80/630808980.db2.gz XTUSUKSCUKVOHM-RXMQYKEDSA-N 0 1 271.641 3.225 20 10 CGCDMN CC[C@H]([NH2+]CC[C@@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219505 630855715 /nfs/dbraw/zinc/85/57/15/630855715.db2.gz SZEATVVYFHUIIJ-SKDRFNHKSA-N 0 1 291.313 3.223 20 10 CGCDMN Oc1ccc(CCNc2ccnc3cc(F)ccc32)cc1O ZINC000811811548 631122777 /nfs/dbraw/zinc/12/27/77/631122777.db2.gz YDNSGBXLDQWBJZ-UHFFFAOYSA-N 0 1 298.317 3.440 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@H](CCO)C2)ccc2ccccc21 ZINC000816504586 631996603 /nfs/dbraw/zinc/99/66/03/631996603.db2.gz SRERHPYVRIEWEP-CQSZACIVSA-N 0 1 285.387 3.140 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCC[C@H](CCO)C2)ccc2ccccc21 ZINC000816504586 631996608 /nfs/dbraw/zinc/99/66/08/631996608.db2.gz SRERHPYVRIEWEP-CQSZACIVSA-N 0 1 285.387 3.140 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000816520689 632002925 /nfs/dbraw/zinc/00/29/25/632002925.db2.gz VPSSOJIKSDLCGT-YGRLFVJLSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(C[NH2+]CC2(CCO)CCC2)ccc2ccccc21 ZINC000816556705 632011842 /nfs/dbraw/zinc/01/18/42/632011842.db2.gz RXNXWSISEINOOU-UHFFFAOYSA-N 0 1 285.387 3.188 20 10 CGCDMN Cc1cc(CNCc2ccc3ccccc3c2O)on1 ZINC000816562888 632013795 /nfs/dbraw/zinc/01/37/95/632013795.db2.gz CJTBCAMXTBHPRJ-UHFFFAOYSA-N 0 1 268.316 3.132 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@H]2CCSC2)ccc2ccccc21 ZINC000816595093 632020019 /nfs/dbraw/zinc/02/00/19/632020019.db2.gz ZBICZTRUJQFTSR-GFCCVEGCSA-N 0 1 273.401 3.388 20 10 CGCDMN CC[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000817414672 632144811 /nfs/dbraw/zinc/14/48/11/632144811.db2.gz HZEZVSZKTCTXLJ-QWRGUYRKSA-N 0 1 269.772 3.093 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817418730 632146666 /nfs/dbraw/zinc/14/66/66/632146666.db2.gz DDZRKYWEFZUSFQ-GFCCVEGCSA-N 0 1 283.799 3.030 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000817418730 632146671 /nfs/dbraw/zinc/14/66/71/632146671.db2.gz DDZRKYWEFZUSFQ-GFCCVEGCSA-N 0 1 283.799 3.030 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CCO)CC2)c(Cl)c1 ZINC000817419365 632147945 /nfs/dbraw/zinc/14/79/45/632147945.db2.gz USAPTYRIRICIQV-ZDUSSCGKSA-N 0 1 297.826 3.339 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CCO)CC2)c(Cl)c1 ZINC000817419365 632147948 /nfs/dbraw/zinc/14/79/48/632147948.db2.gz USAPTYRIRICIQV-ZDUSSCGKSA-N 0 1 297.826 3.339 20 10 CGCDMN C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965889 632260039 /nfs/dbraw/zinc/26/00/39/632260039.db2.gz WTGHCMURJYXVIU-HQJQHLMTSA-N 0 1 289.206 3.087 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965891 632260653 /nfs/dbraw/zinc/26/06/53/632260653.db2.gz WTGHCMURJYXVIU-RDDDGLTNSA-N 0 1 289.206 3.087 20 10 CGCDMN CC[C@H](N)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817979891 632270574 /nfs/dbraw/zinc/27/05/74/632270574.db2.gz PZGCNRMIYYGDSC-SFYZADRCSA-N 0 1 277.195 3.087 20 10 CGCDMN COc1cccc(CN[C@H]2C[C@]2(F)c2ccccc2)c1O ZINC000818231079 632300047 /nfs/dbraw/zinc/30/00/47/632300047.db2.gz UUGWTXQLWOWSMK-RDJZCZTQSA-N 0 1 287.334 3.128 20 10 CGCDMN COc1ccc(O)c(CN[C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000822497826 632947475 /nfs/dbraw/zinc/94/74/75/632947475.db2.gz MCHHHNFRGWZJKQ-IRXDYDNUSA-N 0 1 287.334 3.128 20 10 CGCDMN C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000866446703 633137070 /nfs/dbraw/zinc/13/70/70/633137070.db2.gz GSLHQMVYGYDHOC-PRFIWBCESA-N 0 1 269.772 3.262 20 10 CGCDMN CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000866635886 633223879 /nfs/dbraw/zinc/22/38/79/633223879.db2.gz UUJCMEROQNDOHF-CKYFFXLPSA-N 0 1 271.788 3.246 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@H]1CCOC1 ZINC000824575137 633260458 /nfs/dbraw/zinc/26/04/58/633260458.db2.gz BTMSXQFBBLRJPJ-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@H]1CCOC1 ZINC000824575137 633260460 /nfs/dbraw/zinc/26/04/60/633260460.db2.gz BTMSXQFBBLRJPJ-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN CCN(CC)c1ccc(CN2CC[C@@H](F)C2)cc1 ZINC000824571960 633260748 /nfs/dbraw/zinc/26/07/48/633260748.db2.gz TVCLMRVBPHXKBH-CQSZACIVSA-N 0 1 250.361 3.077 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1C ZINC000824815668 633294034 /nfs/dbraw/zinc/29/40/34/633294034.db2.gz WJYJLYFVBPQLQS-ACJLOTCBSA-N 0 1 285.387 3.402 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1C ZINC000824815668 633294037 /nfs/dbraw/zinc/29/40/37/633294037.db2.gz WJYJLYFVBPQLQS-ACJLOTCBSA-N 0 1 285.387 3.402 20 10 CGCDMN C[C@H]([NH2+]CC(C)(C)CO)c1ccc2ccccc2c1[O-] ZINC000122003104 633296875 /nfs/dbraw/zinc/29/68/75/633296875.db2.gz QESXXUXHXTZGRB-LBPRGKRZSA-N 0 1 273.376 3.215 20 10 CGCDMN CCOC[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824906319 633304296 /nfs/dbraw/zinc/30/42/96/633304296.db2.gz NKCYOUZHUKFRJY-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN CCOC[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824906319 633304301 /nfs/dbraw/zinc/30/43/01/633304301.db2.gz NKCYOUZHUKFRJY-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1csc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])n1 ZINC000825102154 633328843 /nfs/dbraw/zinc/32/88/43/633328843.db2.gz JXCSZIMCZVKCLN-UHFFFAOYSA-N 0 1 296.823 3.451 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccc(O)cc2)cc1Cl ZINC000825159669 633332896 /nfs/dbraw/zinc/33/28/96/633332896.db2.gz GKSFBIDFLYQYHU-UHFFFAOYSA-N 0 1 291.778 3.392 20 10 CGCDMN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825267441 633341102 /nfs/dbraw/zinc/34/11/02/633341102.db2.gz STICWFVMOHMSIC-ABAIWWIYSA-N 0 1 285.815 3.241 20 10 CGCDMN COC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000825293963 633342232 /nfs/dbraw/zinc/34/22/32/633342232.db2.gz FXCJSAKZBUDGBR-NSHDSACASA-N 0 1 287.762 3.186 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]2COC[C@@H]21 ZINC000825331509 633347077 /nfs/dbraw/zinc/34/70/77/633347077.db2.gz IBHJSNBARMBGKP-WCQYABFASA-N 0 1 299.773 3.042 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C2CCOCC2)cc1Cl ZINC000825347533 633348432 /nfs/dbraw/zinc/34/84/32/633348432.db2.gz NXTWEDWLFAXZQP-NSHDSACASA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1Cl ZINC000825469061 633357049 /nfs/dbraw/zinc/35/70/49/633357049.db2.gz UXULNSRVTDBRIG-NWDGAFQWSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cc1Cl ZINC000825502284 633358281 /nfs/dbraw/zinc/35/82/81/633358281.db2.gz VWCRLWJOZYELBZ-HOTGVXAUSA-N 0 1 295.810 3.401 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1Cl ZINC000825525509 633361811 /nfs/dbraw/zinc/36/18/11/633361811.db2.gz FVTULQUUJQWTCK-CJNGLKHVSA-N 0 1 295.810 3.401 20 10 CGCDMN CO[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2[O-])CC[C@@H]1C ZINC000825633565 633368368 /nfs/dbraw/zinc/36/83/68/633368368.db2.gz AXUJUFLAMHZIJV-ZUZCIYMTSA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2[O-])CC[C@@H]1C ZINC000825633565 633368371 /nfs/dbraw/zinc/36/83/71/633368371.db2.gz AXUJUFLAMHZIJV-ZUZCIYMTSA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@H]([C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000826089362 633404606 /nfs/dbraw/zinc/40/46/06/633404606.db2.gz FRJOQWWOQGNRBI-MEBBXXQBSA-N 0 1 283.799 3.257 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CS[C@@H](C)C2)cc1Cl ZINC000826120271 633406560 /nfs/dbraw/zinc/40/65/60/633406560.db2.gz ARGLVNQWFSDIBB-GXSJLCMTSA-N 0 1 271.813 3.338 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000827482272 633493771 /nfs/dbraw/zinc/49/37/71/633493771.db2.gz UURSBPQNLNAIJO-PJXYFTJBSA-N 0 1 282.181 3.043 20 10 CGCDMN [O-]c1c(C[NH2+]CC2CCC(O)CC2)ccc2ccccc21 ZINC000827515931 633496292 /nfs/dbraw/zinc/49/62/92/633496292.db2.gz QWNLNNGCROIEBC-UHFFFAOYSA-N 0 1 285.387 3.186 20 10 CGCDMN CCn1ccnc1[C@@H](C)N[C@H](C)c1cc(F)ccc1O ZINC000834892683 634271412 /nfs/dbraw/zinc/27/14/12/634271412.db2.gz CMKRGFBWDPNQGO-GHMZBOCLSA-N 0 1 277.343 3.160 20 10 CGCDMN CCc1ncc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000834900923 634278194 /nfs/dbraw/zinc/27/81/94/634278194.db2.gz UELZGFHUTOZZHQ-JOYOIKCWSA-N 0 1 290.338 3.420 20 10 CGCDMN C[C@H]([NH2+][C@H]1COCC1(C)C)c1cc(Cl)ccc1[O-] ZINC000834903084 634280381 /nfs/dbraw/zinc/28/03/81/634280381.db2.gz IAFJPVPAFJWKMA-ZANVPECISA-N 0 1 269.772 3.121 20 10 CGCDMN CCn1ccnc1[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835055039 634339350 /nfs/dbraw/zinc/33/93/50/634339350.db2.gz PDWLRZDQDWPBIN-LQYUOIDQSA-N 0 1 298.434 3.333 20 10 CGCDMN CSCC[C@@H](C)[N@@H+](C)Cc1c(C)cccc1O ZINC000876755204 634893185 /nfs/dbraw/zinc/89/31/85/634893185.db2.gz SYPHWNMFKMUNCN-GFCCVEGCSA-N 0 1 253.411 3.274 20 10 CGCDMN CO[C@@H](C)c1nc(CNCc2c(C)cccc2O)cs1 ZINC000877074885 634972670 /nfs/dbraw/zinc/97/26/70/634972670.db2.gz UYSFBBUZLQGOOJ-NSHDSACASA-N 0 1 292.404 3.154 20 10 CGCDMN Cc1cccc(O)c1C[N@@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000877519167 635068446 /nfs/dbraw/zinc/06/84/46/635068446.db2.gz XGGURLGFMNBOCQ-CABCVRRESA-N 0 1 277.408 3.216 20 10 CGCDMN Cc1cc(C[C@@H](C)[NH2+]Cc2c([O-])cc(C)cc2Cl)[nH]n1 ZINC000840908782 635079965 /nfs/dbraw/zinc/07/99/65/635079965.db2.gz JJUKBCTYHAUJPC-SNVBAGLBSA-N 0 1 293.798 3.106 20 10 CGCDMN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840908056 635080171 /nfs/dbraw/zinc/08/01/71/635080171.db2.gz NXYQBDXBNJDUTG-XHDPSFHLSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(O)CC2)c(Cl)c1 ZINC000840941362 635088261 /nfs/dbraw/zinc/08/82/61/635088261.db2.gz VKDDHQHLYNCRNA-OAHLLOKOSA-N 0 1 283.799 3.091 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@](C)(O)CC2)c(Cl)c1 ZINC000840941362 635088267 /nfs/dbraw/zinc/08/82/67/635088267.db2.gz VKDDHQHLYNCRNA-OAHLLOKOSA-N 0 1 283.799 3.091 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCOC(F)F)c(Cl)c1 ZINC000840943121 635088604 /nfs/dbraw/zinc/08/86/04/635088604.db2.gz CJYAHZIKPMMXJF-UHFFFAOYSA-N 0 1 279.714 3.073 20 10 CGCDMN CS[C@@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840951179 635090740 /nfs/dbraw/zinc/09/07/40/635090740.db2.gz TVKGQBNIYCLVAD-SNVBAGLBSA-N 0 1 271.813 3.291 20 10 CGCDMN CS[C@@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840951179 635090746 /nfs/dbraw/zinc/09/07/46/635090746.db2.gz TVKGQBNIYCLVAD-SNVBAGLBSA-N 0 1 271.813 3.291 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CS[C@@H](C)C2)c(Cl)c1 ZINC000840959435 635094157 /nfs/dbraw/zinc/09/41/57/635094157.db2.gz VMSGPVXXRPDPMO-VHSXEESVSA-N 0 1 271.813 3.338 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC23CCCC3)ccc(F)c1F ZINC000877609594 635110468 /nfs/dbraw/zinc/11/04/68/635110468.db2.gz MERCMFHDCVUWND-UHFFFAOYSA-N 0 1 253.292 3.189 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877737329 635170251 /nfs/dbraw/zinc/17/02/51/635170251.db2.gz FMJCLIUINTUSIS-ZYHUDNBSSA-N 0 1 283.824 3.231 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877737329 635170253 /nfs/dbraw/zinc/17/02/53/635170253.db2.gz FMJCLIUINTUSIS-ZYHUDNBSSA-N 0 1 283.824 3.231 20 10 CGCDMN Cc1cccc(O)c1CNCc1ncc(Cl)s1 ZINC000877806342 635209560 /nfs/dbraw/zinc/20/95/60/635209560.db2.gz FLOZUNGEWOPSHR-UHFFFAOYSA-N 0 1 268.769 3.100 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)[C@@H](C)[C@H]1C ZINC000841690677 635213030 /nfs/dbraw/zinc/21/30/30/635213030.db2.gz MWIGNFRQOIGYGI-AGIUHOORSA-N 0 1 270.376 3.417 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)[C@@H](C)[C@H]1C ZINC000841690677 635213033 /nfs/dbraw/zinc/21/30/33/635213033.db2.gz MWIGNFRQOIGYGI-AGIUHOORSA-N 0 1 270.376 3.417 20 10 CGCDMN C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(Cl)cc1[O-] ZINC000841751685 635225376 /nfs/dbraw/zinc/22/53/76/635225376.db2.gz IQDVRAMIAPYVOP-GXFFZTMASA-N 0 1 295.766 3.413 20 10 CGCDMN COc1ccncc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753359 635226622 /nfs/dbraw/zinc/22/66/22/635226622.db2.gz HGKFRBHLASRXBA-SNVBAGLBSA-N 0 1 292.766 3.300 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(Cl)cc1[O-] ZINC000841758601 635231566 /nfs/dbraw/zinc/23/15/66/635231566.db2.gz TUYDGBMKNFSJTM-JOYOIKCWSA-N 0 1 277.755 3.038 20 10 CGCDMN CCc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])[nH]n1 ZINC000841765304 635234788 /nfs/dbraw/zinc/23/47/88/635234788.db2.gz XQTFELCBLYUBTN-SECBINFHSA-N 0 1 279.771 3.182 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCS[C@H]2C)c(Cl)c1 ZINC000842780989 635470667 /nfs/dbraw/zinc/47/06/67/635470667.db2.gz XJNFSEWZLKVHTP-CABZTGNLSA-N 0 1 271.813 3.338 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCS[C@@H]2C)c(Cl)c1 ZINC000842780991 635470899 /nfs/dbraw/zinc/47/08/99/635470899.db2.gz XJNFSEWZLKVHTP-SKDRFNHKSA-N 0 1 271.813 3.338 20 10 CGCDMN CCOc1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC000846106402 636143942 /nfs/dbraw/zinc/14/39/42/636143942.db2.gz AXSWOWJIJQVTGV-OAHLLOKOSA-N 0 1 297.345 3.412 20 10 CGCDMN CCc1nc(CN[C@H](C)c2cccc(OC)c2O)cs1 ZINC000846146474 636149936 /nfs/dbraw/zinc/14/99/36/636149936.db2.gz QUFOFOZMXMZWHT-SNVBAGLBSA-N 0 1 292.404 3.271 20 10 CGCDMN CC[C@H](COCC1CC1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000850350049 637023015 /nfs/dbraw/zinc/02/30/15/637023015.db2.gz NNAXMBSIBCNNIB-CQSZACIVSA-N 0 1 283.799 3.340 20 10 CGCDMN C[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccc2ccccc2c1[O-] ZINC000850487960 637087901 /nfs/dbraw/zinc/08/79/01/637087901.db2.gz JYBQANFREHTVDC-SJKOYZFVSA-N 0 1 285.387 3.357 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](CO)C1CCC1)c1cc(Cl)ccc1[O-] ZINC000850487320 637088055 /nfs/dbraw/zinc/08/80/55/637088055.db2.gz HNEYJWJCDZYYLG-KGLIPLIRSA-N 0 1 283.799 3.247 20 10 CGCDMN CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000850515432 637098993 /nfs/dbraw/zinc/09/89/93/637098993.db2.gz XXOLEKGLTONNFV-DLOVCJGASA-N 0 1 269.772 3.264 20 10 CGCDMN C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(Cl)cc1[O-] ZINC000850521231 637100413 /nfs/dbraw/zinc/10/04/13/637100413.db2.gz ROTDINCJCIMTQW-UFBFGSQYSA-N 0 1 291.725 3.120 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@]12CCOC2 ZINC000886027862 637372811 /nfs/dbraw/zinc/37/28/11/637372811.db2.gz JPUAWOFVMSXKCQ-RDJZCZTQSA-N 0 1 275.392 3.031 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@]12CCOC2 ZINC000886027862 637372815 /nfs/dbraw/zinc/37/28/15/637372815.db2.gz JPUAWOFVMSXKCQ-RDJZCZTQSA-N 0 1 275.392 3.031 20 10 CGCDMN Cc1cc(C)c(O)c(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000853630090 637876619 /nfs/dbraw/zinc/87/66/19/637876619.db2.gz NJVFMHBQHZFDAY-BLLLJJGKSA-N 0 1 299.361 3.254 20 10 CGCDMN CCN(C)c1ccc(CN[C@@H](C)c2ccns2)cc1 ZINC000860061768 639276541 /nfs/dbraw/zinc/27/65/41/639276541.db2.gz NKUYVFZCJGZDFI-LBPRGKRZSA-N 0 1 275.421 3.450 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)C(C)(C)C)c1[O-] ZINC000079434951 640402550 /nfs/dbraw/zinc/40/25/50/640402550.db2.gz WGXGZLMGQATOHP-SNVBAGLBSA-N 0 1 267.344 3.258 20 10 CGCDMN CC[C@H](NCc1cc(OC)ccc1O)c1nccs1 ZINC000080256393 640459212 /nfs/dbraw/zinc/45/92/12/640459212.db2.gz MIPNHDSBQZXJOD-LBPRGKRZSA-N 0 1 278.377 3.098 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)C1CCCCC1 ZINC000113334861 640976655 /nfs/dbraw/zinc/97/66/55/640976655.db2.gz MOYXJOQEWDYTKH-HNNXBMFYSA-N 0 1 283.799 3.076 20 10 CGCDMN Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000038011157 798883238 /nfs/dbraw/zinc/88/32/38/798883238.db2.gz RBAPJNXQDZOQIE-LBPRGKRZSA-N 0 1 281.359 3.428 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1[O-] ZINC000380690384 799365618 /nfs/dbraw/zinc/36/56/18/799365618.db2.gz BREIUXNSBRKLSI-ZJUUUORDSA-N 0 1 281.783 3.479 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1[O-] ZINC000380690384 799365623 /nfs/dbraw/zinc/36/56/23/799365623.db2.gz BREIUXNSBRKLSI-ZJUUUORDSA-N 0 1 281.783 3.479 20 10 CGCDMN CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000384714110 799419101 /nfs/dbraw/zinc/41/91/01/799419101.db2.gz GVENVYNEEICWCH-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000384714110 799419104 /nfs/dbraw/zinc/41/91/04/799419104.db2.gz GVENVYNEEICWCH-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CC1(C2([NH2+]Cc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000398150164 799526643 /nfs/dbraw/zinc/52/66/43/799526643.db2.gz SVFCVGDIIUZKRA-UHFFFAOYSA-N 0 1 251.757 3.468 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCCOC1 ZINC000402771926 799563950 /nfs/dbraw/zinc/56/39/50/799563950.db2.gz UEFDAILOFMSVTL-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCCOC1 ZINC000402771926 799563953 /nfs/dbraw/zinc/56/39/53/799563953.db2.gz UEFDAILOFMSVTL-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2ccc(Cl)o2)c1 ZINC000698122230 799852309 /nfs/dbraw/zinc/85/23/09/799852309.db2.gz YXLDJFOGOZQGJI-SECBINFHSA-N 0 1 281.739 3.498 20 10 CGCDMN C[C@H](CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])N(C)C ZINC000700603348 799875711 /nfs/dbraw/zinc/87/57/11/799875711.db2.gz HPTSFUKOEKVQJN-SECBINFHSA-N 0 1 291.222 3.129 20 10 CGCDMN CC1(C)C[C@@]1(C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000702031140 799902694 /nfs/dbraw/zinc/90/26/94/799902694.db2.gz VPROHLIHUVFPPN-CYBMUJFWSA-N 0 1 284.197 3.433 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@H]1CCSC1 ZINC000704774495 799940551 /nfs/dbraw/zinc/94/05/51/799940551.db2.gz IEMLIAQUQHDONJ-JTQLQIEISA-N 0 1 271.813 3.278 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711427517 800056822 /nfs/dbraw/zinc/05/68/22/800056822.db2.gz QAKCPUFLUFNWCB-NSHDSACASA-N 0 1 281.783 3.237 20 10 CGCDMN COCc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])o1 ZINC000824481545 800471288 /nfs/dbraw/zinc/47/12/88/800471288.db2.gz QUBJEEHSHRSFJW-UHFFFAOYSA-N 0 1 281.739 3.075 20 10 CGCDMN CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C1 ZINC001119236982 802637169 /nfs/dbraw/zinc/63/71/69/802637169.db2.gz KYFCFVVGONNZCB-GHMZBOCLSA-N 0 1 287.375 3.386 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCC(F)F)cc1Cl ZINC001119977910 802718985 /nfs/dbraw/zinc/71/89/85/802718985.db2.gz VDILHOJATVKTHR-UHFFFAOYSA-N 0 1 263.715 3.489 20 10 CGCDMN C[C@@]1(F)CCCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137832619 803778379 /nfs/dbraw/zinc/77/83/79/803778379.db2.gz BJSSUJJNRNOVMT-CQSZACIVSA-N 0 1 255.308 3.245 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001137837858 803779168 /nfs/dbraw/zinc/77/91/68/803779168.db2.gz XJSFQVJRLXHCIE-HNNXBMFYSA-N 0 1 272.323 3.263 20 10 CGCDMN C[N@@H+](CCC(=O)c1cccs1)Cc1cccc(F)c1[O-] ZINC001138129547 803864665 /nfs/dbraw/zinc/86/46/65/803864665.db2.gz JXDOWTWPBJDRCE-UHFFFAOYSA-N 0 1 293.363 3.298 20 10 CGCDMN Cc1c(CN2CCC[C@@H](F)C2)c2ccccc2n1C ZINC001138256584 803881803 /nfs/dbraw/zinc/88/18/03/803881803.db2.gz BSQXSMYHYJEALG-CYBMUJFWSA-N 0 1 260.356 3.421 20 10 CGCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001139125542 804134377 /nfs/dbraw/zinc/13/43/77/804134377.db2.gz XGENSXHENQCSOW-BETUJISGSA-N 0 1 299.370 3.039 20 10 CGCDMN CCC[N@@H+](Cc1ccc(Cl)cc1[O-])C1CCOCC1 ZINC001140464224 804441690 /nfs/dbraw/zinc/44/16/90/804441690.db2.gz HMMAHLHSFLCDMN-UHFFFAOYSA-N 0 1 283.799 3.437 20 10 CGCDMN C[C@]1(F)CCCC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140582341 804466545 /nfs/dbraw/zinc/46/65/45/804466545.db2.gz GOQDBJCWSXQLBA-AWEZNQCLSA-N 0 1 273.298 3.385 20 10 CGCDMN Cc1c(O)ccc(CN2CCC[C@@H]2c2nccs2)c1O ZINC001140749054 804504688 /nfs/dbraw/zinc/50/46/88/804504688.db2.gz POWVJHFNOLJQAM-GFCCVEGCSA-N 0 1 290.388 3.200 20 10 CGCDMN CC(C)(C)c1cccc(C[N@H+]2CCCCC23COC3)c1O ZINC001143110892 804803466 /nfs/dbraw/zinc/80/34/66/804803466.db2.gz SOGQQIHEUKTYEX-UHFFFAOYSA-N 0 1 289.419 3.445 20 10 CGCDMN CC(C)(C)c1cccc(CN2CCCCC23COC3)c1O ZINC001143110892 804803469 /nfs/dbraw/zinc/80/34/69/804803469.db2.gz SOGQQIHEUKTYEX-UHFFFAOYSA-N 0 1 289.419 3.445 20 10 CGCDMN CC(C)(C)c1cccc(C[N@H+]2CCCC23COC3)c1O ZINC001143111066 804803518 /nfs/dbraw/zinc/80/35/18/804803518.db2.gz WHJYUVDZNYAVKR-UHFFFAOYSA-N 0 1 275.392 3.055 20 10 CGCDMN CC(C)(C)c1cccc(CN2CCCC23COC3)c1O ZINC001143111066 804803522 /nfs/dbraw/zinc/80/35/22/804803522.db2.gz WHJYUVDZNYAVKR-UHFFFAOYSA-N 0 1 275.392 3.055 20 10 CGCDMN CC1(C)CN(Cc2cc(Br)c(F)cc2O)C1 ZINC001144298494 804969549 /nfs/dbraw/zinc/96/95/49/804969549.db2.gz DSVMHCYOAMSSME-UHFFFAOYSA-N 0 1 288.160 3.136 20 10 CGCDMN CCC[C@@H](C)CC[C@@H](C)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001257473227 807173974 /nfs/dbraw/zinc/17/39/74/807173974.db2.gz YDYKLDLALCUFQH-CHWSQXEVSA-N 0 1 293.407 3.475 20 10 CGCDMN COc1ccc2c(c1)c1c(n2C)CCN([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167940768 807278265 /nfs/dbraw/zinc/27/82/65/807278265.db2.gz SFQLIYLODVJZCX-WDNDVIMCSA-N 0 1 296.414 3.344 20 10 CGCDMN CC[C@H](C)C[C@H](CC)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001258781854 807608531 /nfs/dbraw/zinc/60/85/31/807608531.db2.gz GQWNFZHUEJQBEL-AAEUAGOBSA-N 0 1 279.380 3.085 20 10 CGCDMN COC1([C@H](C)[NH2+]Cc2ccc(Cl)cc2[O-])CCC1 ZINC001182399062 810108482 /nfs/dbraw/zinc/10/84/82/810108482.db2.gz XSTANCBPTPHHGC-JTQLQIEISA-N 0 1 269.772 3.093 20 10 CGCDMN C[C@H]1CC2(C[N@H+]1Cc1cc(F)c(F)cc1[O-])CCOCC2 ZINC001182542890 810114023 /nfs/dbraw/zinc/11/40/23/810114023.db2.gz HRHICXSEEAIFQL-NSHDSACASA-N 0 1 297.345 3.061 20 10 CGCDMN CCCC[C@@](C)(CO)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001182575401 810115910 /nfs/dbraw/zinc/11/59/10/810115910.db2.gz ZQCFZZFHKVKUIY-AWEZNQCLSA-N 0 1 271.788 3.076 20 10 CGCDMN COc1ccc2c(c1)c1c(n2C)CCN(CC2CCC2)C1 ZINC001202762808 812168946 /nfs/dbraw/zinc/16/89/46/812168946.db2.gz RKCBPARBDNOPFQ-UHFFFAOYSA-N 0 1 284.403 3.345 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001203664494 812422642 /nfs/dbraw/zinc/42/26/42/812422642.db2.gz HGLJGKCJFIIAHO-UHFFFAOYSA-N 0 1 289.762 3.310 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001203664494 812422649 /nfs/dbraw/zinc/42/26/49/812422649.db2.gz HGLJGKCJFIIAHO-UHFFFAOYSA-N 0 1 289.762 3.310 20 10 CGCDMN COc1cccc([C@H]2CCCN2Cc2ccc(O)c(O)c2)c1 ZINC001203880539 812478736 /nfs/dbraw/zinc/47/87/36/812478736.db2.gz VFBBGBDUJAYMQD-MRXNPFEDSA-N 0 1 299.370 3.444 20 10 CGCDMN CCN(CC)c1ccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)cc1 ZINC001203939607 812497342 /nfs/dbraw/zinc/49/73/42/812497342.db2.gz DQOXLRDNBNVHRT-HNNXBMFYSA-N 0 1 288.435 3.334 20 10 CGCDMN CCN(CC)c1ccc(CN2CCC(=O)[C@@H](C)CC2)cc1 ZINC001203939607 812497347 /nfs/dbraw/zinc/49/73/47/812497347.db2.gz DQOXLRDNBNVHRT-HNNXBMFYSA-N 0 1 288.435 3.334 20 10 CGCDMN C[C@H]1COCCN1Cc1ccc(N(C)C)c2ccccc12 ZINC001204233235 812580591 /nfs/dbraw/zinc/58/05/91/812580591.db2.gz PEXRFZBAZQXGPQ-AWEZNQCLSA-N 0 1 284.403 3.127 20 10 CGCDMN Oc1ccc(CN2CCc3cccc(Cl)c3C2)c(O)c1 ZINC001204281553 812596901 /nfs/dbraw/zinc/59/69/01/812596901.db2.gz VMFPGMUHNHCATN-UHFFFAOYSA-N 0 1 289.762 3.310 20 10 CGCDMN C[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C[C@H]1F ZINC001204326517 812614356 /nfs/dbraw/zinc/61/43/56/812614356.db2.gz YRHDNPAEFMPYDI-RHSMWYFYSA-N 0 1 276.399 3.467 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC001204333290 812616554 /nfs/dbraw/zinc/61/65/54/812616554.db2.gz ARWLZDGYFSMVTJ-TZMCWYRMSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC001204333290 812616560 /nfs/dbraw/zinc/61/65/60/812616560.db2.gz ARWLZDGYFSMVTJ-TZMCWYRMSA-N 0 1 281.783 3.047 20 10 CGCDMN C[C@@H](C[NH2+]Cc1ccc(Cl)cc1[O-])C(=O)OC(C)(C)C ZINC001206463363 813327050 /nfs/dbraw/zinc/32/70/50/813327050.db2.gz GKTAZRHNWNVYSQ-JTQLQIEISA-N 0 1 299.798 3.113 20 10 CGCDMN Oc1ccc(Cl)c(CNCc2cc(F)ccc2O)c1 ZINC001207334515 813543555 /nfs/dbraw/zinc/54/35/55/813543555.db2.gz RCQBIRCGHYWVTK-UHFFFAOYSA-N 0 1 281.714 3.180 20 10 CGCDMN Cc1ccc(C)n1-c1ccc(CN2CCOC3(CC3)C2)cc1 ZINC001209519740 814072956 /nfs/dbraw/zinc/07/29/56/814072956.db2.gz HFYWSPLJZYOJAU-UHFFFAOYSA-N 0 1 296.414 3.459 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCc3cnccc3C2)ccc2ccccc21 ZINC001231878320 818197464 /nfs/dbraw/zinc/19/74/64/818197464.db2.gz IJYLUBNRYBDIGB-UHFFFAOYSA-N 0 1 290.366 3.499 20 10 CGCDMN [O-]c1c(C[N@H+]2CCc3cnccc3C2)ccc2ccccc21 ZINC001231878320 818197470 /nfs/dbraw/zinc/19/74/70/818197470.db2.gz IJYLUBNRYBDIGB-UHFFFAOYSA-N 0 1 290.366 3.499 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCC[C@@]3(CCO3)C2)ccc2ccccc21 ZINC001231881295 818199656 /nfs/dbraw/zinc/19/96/56/818199656.db2.gz UURKVGVLMXYJHE-GOSISDBHSA-N 0 1 283.371 3.300 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@]3(CCO3)C2)ccc2ccccc21 ZINC001231881295 818199661 /nfs/dbraw/zinc/19/96/61/818199661.db2.gz UURKVGVLMXYJHE-GOSISDBHSA-N 0 1 283.371 3.300 20 10 CGCDMN O=C1CC[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H]2CCCC[C@H]12 ZINC001231909836 818209776 /nfs/dbraw/zinc/20/97/76/818209776.db2.gz RHQMSTNVXUFKFF-GXTWGEPZSA-N 0 1 293.794 3.379 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C2(CC2)C1 ZINC001231912936 818212519 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ZINC001474445481 937860543 /nfs/dbraw/zinc/86/05/43/937860543.db2.gz GBMHPRBZVFNDON-UHFFFAOYSA-N 0 1 271.788 3.076 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c(Cl)c1 ZINC001474572433 937868135 /nfs/dbraw/zinc/86/81/35/937868135.db2.gz VKOBUVBZBOMGCK-MNOVXSKESA-N 0 1 287.737 3.441 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c(Cl)c1 ZINC001474572433 937868137 /nfs/dbraw/zinc/86/81/37/937868137.db2.gz VKOBUVBZBOMGCK-MNOVXSKESA-N 0 1 287.737 3.441 20 10 CGCDMN CSc1cccnc1NCc1ccc(F)c(F)c1O ZINC001474611823 937870277 /nfs/dbraw/zinc/87/02/77/937870277.db2.gz SUSYPCYONYPKIO-UHFFFAOYSA-N 0 1 282.315 3.399 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c(Cl)c1 ZINC001560605733 938265024 /nfs/dbraw/zinc/26/50/24/938265024.db2.gz WKOAIBMNZXOSJO-BLLLJJGKSA-N 0 1 295.810 3.401 20 10 CGCDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C1(C)C ZINC001560635993 938267365 /nfs/dbraw/zinc/26/73/65/938267365.db2.gz SMTVATZTWDCHKP-OLZOCXBDSA-N 0 1 299.361 3.306 20 10 CGCDMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C1(C)C ZINC001560635992 938267616 /nfs/dbraw/zinc/26/76/16/938267616.db2.gz SMTVATZTWDCHKP-CHWSQXEVSA-N 0 1 299.361 3.306 20 10 CGCDMN C[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])[C@H](O)c1ccccc1 ZINC001560868726 938280800 /nfs/dbraw/zinc/28/08/00/938280800.db2.gz MKSUEVLUKQUMEV-BZNIZROVSA-N 0 1 291.778 3.257 20 10 CGCDMN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001560883586 938281757 /nfs/dbraw/zinc/28/17/57/938281757.db2.gz ZFTLPXWKDPETST-TZMCWYRMSA-N 0 1 269.772 3.093 20 10 CGCDMN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1cnc[nH]1 ZINC001560895276 938282374 /nfs/dbraw/zinc/28/23/74/938282374.db2.gz KYEZDMDBRGKASL-AWEZNQCLSA-N 0 1 285.391 3.253 20 10 CGCDMN C[C@H]([NH2+]C1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000036319435 369017206 /nfs/dbraw/zinc/01/72/06/369017206.db2.gz JWKXGSKXKIOWIB-LBPRGKRZSA-N 0 1 271.360 3.375 20 10 CGCDMN COCc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113318320 370471747 /nfs/dbraw/zinc/47/17/47/370471747.db2.gz IZQPNPZVGANIJH-UHFFFAOYSA-N 0 1 291.778 3.482 20 10 CGCDMN CSC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134922512 371375485 /nfs/dbraw/zinc/37/54/85/371375485.db2.gz FBUMNEKWCVHSNW-IUCAKERBSA-N 0 1 259.802 3.448 20 10 CGCDMN CS[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134937470 371378253 /nfs/dbraw/zinc/37/82/53/371378253.db2.gz SULJUKLYSYLUPA-BDAKNGLRSA-N 0 1 259.802 3.448 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000287375473 371644970 /nfs/dbraw/zinc/64/49/70/371644970.db2.gz HYJILWPJUVSDDS-GRYCIOLGSA-N 0 1 283.799 3.369 20 10 CGCDMN Cc1cccc(CNc2ccc3c(n2)CCC3)c1O ZINC000294895891 372676920 /nfs/dbraw/zinc/67/69/20/372676920.db2.gz RDNPJOYATQAVHB-UHFFFAOYSA-N 0 1 254.333 3.196 20 10 CGCDMN COCCC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCC1 ZINC000185753718 374730002 /nfs/dbraw/zinc/73/00/02/374730002.db2.gz MGMKHNQZXAJGCJ-GFCCVEGCSA-N 0 1 281.371 3.389 20 10 CGCDMN CCn1cc(N[C@H](C)c2ccc(F)c(F)c2O)cn1 ZINC000187874625 375109723 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ZINC000375017635 379484616 /nfs/dbraw/zinc/48/46/16/379484616.db2.gz HONRPWUGPUOXIB-ZDUSSCGKSA-N 0 1 274.389 3.494 20 10 CGCDMN Cc1cccc(CN2CCC[C@H]2c2nccs2)c1O ZINC000375017635 379484627 /nfs/dbraw/zinc/48/46/27/379484627.db2.gz HONRPWUGPUOXIB-ZDUSSCGKSA-N 0 1 274.389 3.494 20 10 CGCDMN C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1cc(F)ccc1[O-] ZINC000364151705 382263228 /nfs/dbraw/zinc/26/32/28/382263228.db2.gz UWIZLNMWVAEMGE-MZPVMMEZSA-N 0 1 293.382 3.387 20 10 CGCDMN CC(C)CO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180723337 392711394 /nfs/dbraw/zinc/71/13/94/392711394.db2.gz YTHKORSOMFNMOP-ZDUSSCGKSA-N 0 1 283.799 3.293 20 10 CGCDMN Cc1ccc([C@H](C)NCc2ccc3c(c2)CCO3)o1 ZINC000037363221 173152970 /nfs/dbraw/zinc/15/29/70/173152970.db2.gz NRNCQLGQZSQVQM-LBPRGKRZSA-N 0 1 257.333 3.374 20 10 CGCDMN Cc1csc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000038091029 174105053 /nfs/dbraw/zinc/10/50/53/174105053.db2.gz UNXRBPXMQGKLJG-LBPRGKRZSA-N 0 1 275.421 3.368 20 10 CGCDMN COc1ccccc1[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000037362732 260094557 /nfs/dbraw/zinc/09/45/57/260094557.db2.gz COCLVDQTLGTFQC-ZDUSSCGKSA-N 0 1 283.371 3.481 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+](CCO)Cc1ccccc1 ZINC000158322794 261163619 /nfs/dbraw/zinc/16/36/19/261163619.db2.gz GHUBALUKPIHPSM-UHFFFAOYSA-N 0 1 291.778 3.040 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+](CCO)Cc1ccccc1 ZINC000158322794 261163620 /nfs/dbraw/zinc/16/36/20/261163620.db2.gz GHUBALUKPIHPSM-UHFFFAOYSA-N 0 1 291.778 3.040 20 10 CGCDMN OCCN(Cc1ccccc1)Cc1c(O)cccc1Cl ZINC000158322794 261163621 /nfs/dbraw/zinc/16/36/21/261163621.db2.gz GHUBALUKPIHPSM-UHFFFAOYSA-N 0 1 291.778 3.040 20 10 CGCDMN COc1ccccc1CN(C)Cc1cccc(OC)c1O ZINC000160421274 261213951 /nfs/dbraw/zinc/21/39/51/261213951.db2.gz UPXBWQZCZZEZAD-UHFFFAOYSA-N 0 1 287.359 3.041 20 10 CGCDMN Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185349345 262051510 /nfs/dbraw/zinc/05/15/10/262051510.db2.gz SQTPUBXSOCPOES-ZJUUUORDSA-N 0 1 293.798 3.499 20 10 CGCDMN CCOC1CC2(C1)CC[N@@H+](Cc1cc(C)c(C)cc1O)C2 ZINC000285146003 263090476 /nfs/dbraw/zinc/09/04/76/263090476.db2.gz OIPMLZTUYVXXSS-UHFFFAOYSA-N 0 1 289.419 3.400 20 10 CGCDMN CN(C)c1ccc(CNCc2cc(F)c(F)c(F)c2)cc1 ZINC000062705935 276883605 /nfs/dbraw/zinc/88/36/05/276883605.db2.gz SDJUMBPXJILOLE-UHFFFAOYSA-N 0 1 294.320 3.460 20 10 CGCDMN Cc1nn(C)c(C)c1N[C@H](C)c1ccc(F)c(F)c1O ZINC000276905880 328219932 /nfs/dbraw/zinc/21/99/32/328219932.db2.gz JWQHELMVOPILTC-SSDOTTSWSA-N 0 1 281.306 3.194 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCCOC2)c(Cl)c1 ZINC000527739607 330282610 /nfs/dbraw/zinc/28/26/10/330282610.db2.gz PFZOTAMQUFKFSL-GFCCVEGCSA-N 0 1 283.799 3.260 20 10 CGCDMN CC(C)[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(C)(C)O ZINC000276745438 519821441 /nfs/dbraw/zinc/82/14/41/519821441.db2.gz HALBCXPBCOEQPS-HZMBPMFUSA-N 0 1 285.815 3.492 20 10 CGCDMN CC[C@H](C)c1nnc([C@@H](C)NCc2cccc(C)c2O)[nH]1 ZINC000277110092 522050810 /nfs/dbraw/zinc/05/08/10/522050810.db2.gz HWASDFZILDKPEZ-CMPLNLGQSA-N 0 1 288.395 3.183 20 10 CGCDMN CC[C@@H](C)c1nnc([C@H](C)NCc2cc(C)ccc2O)[nH]1 ZINC000277403028 522437971 /nfs/dbraw/zinc/43/79/71/522437971.db2.gz KUKDQMOTVDFSEW-NEPJUHHUSA-N 0 1 288.395 3.183 20 10 CGCDMN COC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000211400423 522844572 /nfs/dbraw/zinc/84/45/72/522844572.db2.gz STCDLIXLURNDHX-VIFPVBQESA-N 0 1 290.190 3.167 20 10 CGCDMN COCC1(CC[NH2+]Cc2c([O-])cccc2Cl)CCC1 ZINC000293018991 522861062 /nfs/dbraw/zinc/86/10/62/522861062.db2.gz QOCARCDLBUEOQI-UHFFFAOYSA-N 0 1 283.799 3.342 20 10 CGCDMN CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000290297236 523431779 /nfs/dbraw/zinc/43/17/79/523431779.db2.gz YKNQRFZRIZNLFQ-UTLUCORTSA-N 0 1 257.761 3.120 20 10 CGCDMN C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000097435904 524508797 /nfs/dbraw/zinc/50/87/97/524508797.db2.gz JYGOSWYTKZQXJX-STQMWFEESA-N 0 1 273.376 3.215 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000037738171 525418566 /nfs/dbraw/zinc/41/85/66/525418566.db2.gz LJTPRGCWLISMEW-QWHCGFSZSA-N 0 1 271.360 3.233 20 10 CGCDMN Cc1noc([C@H]2CCCN2Cc2cccc(Cl)c2O)n1 ZINC000289866640 526670569 /nfs/dbraw/zinc/67/05/69/526670569.db2.gz RAMIXDGUWXYVTC-GFCCVEGCSA-N 0 1 293.754 3.074 20 10 CGCDMN C[C@@H](N[C@@H](C)c1cc(F)cc(F)c1O)C(F)(F)F ZINC000806660882 630573134 /nfs/dbraw/zinc/57/31/34/630573134.db2.gz QNJZCZQFQOOVNO-NTSWFWBYSA-N 0 1 269.213 3.272 20 10 CGCDMN COc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C)c(O)c1OC ZINC000892066790 618515546 /nfs/dbraw/zinc/51/55/46/618515546.db2.gz HRDLBISOASKGJJ-NWDGAFQWSA-N 0 1 279.380 3.030 20 10 CGCDMN C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000309847252 618770835 /nfs/dbraw/zinc/77/08/35/618770835.db2.gz VBSIHJNXFOUNMB-KWQFWETISA-N 0 1 257.786 3.029 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CCOCC2CC2)c(Cl)c1 ZINC000840917658 619135213 /nfs/dbraw/zinc/13/52/13/619135213.db2.gz WCRMFQQENMBNHO-UHFFFAOYSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CCOCC2CC2)c(Cl)c1 ZINC000840917658 619135214 /nfs/dbraw/zinc/13/52/14/619135214.db2.gz WCRMFQQENMBNHO-UHFFFAOYSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cc(O)c(CN(C)CCOCC2CC2)c(Cl)c1 ZINC000840917658 619135216 /nfs/dbraw/zinc/13/52/16/619135216.db2.gz WCRMFQQENMBNHO-UHFFFAOYSA-N 0 1 283.799 3.212 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOCC1CCCC1 ZINC000313278340 619166114 /nfs/dbraw/zinc/16/61/14/619166114.db2.gz GHDAKJRHZIZGBB-UHFFFAOYSA-N 0 1 283.799 3.342 20 10 CGCDMN CSCC[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894038751 619355831 /nfs/dbraw/zinc/35/58/31/619355831.db2.gz FOXMFOUQQCAMHP-SECBINFHSA-N 0 1 275.364 3.244 20 10 CGCDMN CC[N@@H+](CCc1nccs1)Cc1cc(F)cc(F)c1[O-] ZINC000894072551 619367452 /nfs/dbraw/zinc/36/74/52/619367452.db2.gz KQODJGRJMBCZKK-UHFFFAOYSA-N 0 1 298.358 3.192 20 10 CGCDMN Cc1noc(C)c1CN(C)Cc1cc(C)c(C)cc1O ZINC000046478225 619734729 /nfs/dbraw/zinc/73/47/29/619734729.db2.gz BLRBNXIEIKRPEG-UHFFFAOYSA-N 0 1 274.364 3.246 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CC[C@H]1C(F)F ZINC000895432615 619825697 /nfs/dbraw/zinc/82/56/97/619825697.db2.gz OYACAUICQUJXJW-VIFPVBQESA-N 0 1 265.662 3.024 20 10 CGCDMN CC(C)Cn1ccnc1CN[C@@H](C)c1cc(F)ccc1O ZINC000185546369 625374720 /nfs/dbraw/zinc/37/47/20/625374720.db2.gz ZNYOSBYFTMVFCN-LBPRGKRZSA-N 0 1 291.370 3.235 20 10 CGCDMN Cc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)c1 ZINC000109771051 620322075 /nfs/dbraw/zinc/32/20/75/620322075.db2.gz CAESZNSACQHAAF-CQSZACIVSA-N 0 1 298.386 3.160 20 10 CGCDMN Cc1ccc([C@H](C)NCc2cc(C3CC3)n(C)n2)c(O)c1C ZINC000927108042 620577565 /nfs/dbraw/zinc/57/75/65/620577565.db2.gz KBZVMPFWFJKXDO-ZDUSSCGKSA-N 0 1 299.418 3.471 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(Cl)cc1[O-] ZINC000903259575 621646683 /nfs/dbraw/zinc/64/66/83/621646683.db2.gz HFGOPKJETVDZLM-PKPZWWHKSA-N 0 1 281.783 3.264 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000186067280 625511470 /nfs/dbraw/zinc/51/14/70/625511470.db2.gz GJPAROGJZLKJGQ-RLCCDNCMSA-N 0 1 271.360 3.109 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccccc1O ZINC000083461609 625522929 /nfs/dbraw/zinc/52/29/29/625522929.db2.gz YSTUSHOACUGUKQ-UHFFFAOYSA-N 0 1 263.724 3.041 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC000827506872 623464644 /nfs/dbraw/zinc/46/46/44/623464644.db2.gz NBQONQCNNFPDDQ-GHMZBOCLSA-N 0 1 251.757 3.196 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC000827506872 623464649 /nfs/dbraw/zinc/46/46/49/623464649.db2.gz NBQONQCNNFPDDQ-GHMZBOCLSA-N 0 1 251.757 3.196 20 10 CGCDMN CCC[C@@H]1CN(Cc2cc(C)c(C)cc2O)CCO1 ZINC000152541506 623688372 /nfs/dbraw/zinc/68/83/72/623688372.db2.gz YNDMRSVXOWZHIU-OAHLLOKOSA-N 0 1 263.381 3.010 20 10 CGCDMN Cc1csc([C@H](C)NCc2ccc(N(C)C)cc2)n1 ZINC000069168496 624802036 /nfs/dbraw/zinc/80/20/36/624802036.db2.gz CQBCUCYCLVEJIS-LBPRGKRZSA-N 0 1 275.421 3.368 20 10 CGCDMN COc1ccc(O)c(CNCc2cc(C)cnc2Cl)c1 ZINC000921740440 625858305 /nfs/dbraw/zinc/85/83/05/625858305.db2.gz KXVYEYLLWCIKAA-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN Cc1cc(O)c(CN[C@@H](c2ncccn2)C2CC2)cc1C ZINC000922578607 626014703 /nfs/dbraw/zinc/01/47/03/626014703.db2.gz BQTFBQFOCRLGAZ-MRXNPFEDSA-N 0 1 283.375 3.040 20 10 CGCDMN CC[C@@H]1CN(Cc2cc(C(C)C)c(C)cc2O)CCO1 ZINC000074068104 626086718 /nfs/dbraw/zinc/08/67/18/626086718.db2.gz YIFSOWGROWQVDV-OAHLLOKOSA-N 0 1 277.408 3.435 20 10 CGCDMN C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cc(Cl)ccc1[O-] ZINC000756572822 626096738 /nfs/dbraw/zinc/09/67/38/626096738.db2.gz ILINRZLXZQJWKG-YGRLFVJLSA-N 0 1 269.772 3.123 20 10 CGCDMN Cc1ncc(CN[C@H](C)c2cc(Cl)ccc2O)o1 ZINC000840794339 626245261 /nfs/dbraw/zinc/24/52/61/626245261.db2.gz HRSFKKNDKOXKAH-MRVPVSSYSA-N 0 1 266.728 3.193 20 10 CGCDMN Cc1ncc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])o1 ZINC000840794339 626245264 /nfs/dbraw/zinc/24/52/64/626245264.db2.gz HRSFKKNDKOXKAH-MRVPVSSYSA-N 0 1 266.728 3.193 20 10 CGCDMN CCOC1CN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000839133318 626321975 /nfs/dbraw/zinc/32/19/75/626321975.db2.gz ZFJGTRVPWBAPLS-UHFFFAOYSA-N 0 1 283.371 3.280 20 10 CGCDMN COCCC1(C)CN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000839142981 626323036 /nfs/dbraw/zinc/32/30/36/626323036.db2.gz MRMHNFNPOHMHGZ-AATRIKPKSA-N 0 1 288.435 3.124 20 10 CGCDMN CCC[C@H](CCO)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756619967 626721494 /nfs/dbraw/zinc/72/14/94/626721494.db2.gz ZHYVDRMZKMZVSG-SCRDCRAPSA-N 0 1 295.398 3.468 20 10 CGCDMN C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000756628371 626721909 /nfs/dbraw/zinc/72/19/09/626721909.db2.gz LUQZOAVVWDNJAF-NEPJUHHUSA-N 0 1 282.815 3.038 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000756775367 626731058 /nfs/dbraw/zinc/73/10/58/626731058.db2.gz HDUYVLURPCDCME-VXNVDRBHSA-N 0 1 297.704 3.010 20 10 CGCDMN COc1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000765781213 627270217 /nfs/dbraw/zinc/27/02/17/627270217.db2.gz VPDXKOYDTIHKRX-ZDUSSCGKSA-N 0 1 285.391 3.007 20 10 CGCDMN CC(C)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768270372 627471425 /nfs/dbraw/zinc/47/14/25/627471425.db2.gz ZECZPHFCTSUWKM-SECBINFHSA-N 0 1 286.759 3.430 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000769330937 627542475 /nfs/dbraw/zinc/54/24/75/627542475.db2.gz SCXMHNSAHQPLJH-CYBMUJFWSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000769330937 627542478 /nfs/dbraw/zinc/54/24/78/627542478.db2.gz SCXMHNSAHQPLJH-CYBMUJFWSA-N 0 1 251.757 3.420 20 10 CGCDMN COc1cccc(O)c1CN1CC[C@@H]1c1cccc(F)c1 ZINC000769509386 627561177 /nfs/dbraw/zinc/56/11/77/627561177.db2.gz XHDPSXMQJNXQSY-OAHLLOKOSA-N 0 1 287.334 3.487 20 10 CGCDMN C[C@H](NCc1nccn1CC(F)(F)F)c1ccccc1O ZINC000775130814 628066237 /nfs/dbraw/zinc/06/62/37/628066237.db2.gz PBDDRKRNTRMRGP-JTQLQIEISA-N 0 1 299.296 3.002 20 10 CGCDMN COc1ccc(O)c(CN(C)Cc2cc(C)ccc2F)c1 ZINC000775168120 628068630 /nfs/dbraw/zinc/06/86/30/628068630.db2.gz LVACSLSMXMGZMI-UHFFFAOYSA-N 0 1 289.350 3.480 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000775487722 628099610 /nfs/dbraw/zinc/09/96/10/628099610.db2.gz NXYWTQDVMPNUHZ-OCCSQVGLSA-N 0 1 295.766 3.413 20 10 CGCDMN CC[C@H]([NH2+]C[C@@](C)(O)CC)c1cc(Cl)ccc1[O-] ZINC000775502846 628101847 /nfs/dbraw/zinc/10/18/47/628101847.db2.gz WLBYEGKZGLIZMR-JSGCOSHPSA-N 0 1 271.788 3.247 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775638572 628118432 /nfs/dbraw/zinc/11/84/32/628118432.db2.gz LKVGXPCMNROPQB-VIFPVBQESA-N 0 1 257.736 3.417 20 10 CGCDMN CN(Cc1nccs1)Cc1cc(Cl)cc(F)c1O ZINC000775712100 628128171 /nfs/dbraw/zinc/12/81/71/628128171.db2.gz DMEVTHMYIBYBJG-UHFFFAOYSA-N 0 1 286.759 3.273 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000775736029 628131355 /nfs/dbraw/zinc/13/13/55/628131355.db2.gz JLWVDBCWHHHCCS-GXTWGEPZSA-N 0 1 281.783 3.047 20 10 CGCDMN CC[C@H](CO)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208528 628161106 /nfs/dbraw/zinc/16/11/06/628161106.db2.gz WJGWJLRDQFEYAT-ZYHUDNBSSA-N 0 1 291.313 3.223 20 10 CGCDMN C[C@@H]1CCSCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000792195087 629347958 /nfs/dbraw/zinc/34/79/58/629347958.db2.gz CHKNFJKHHMEPBY-SNVBAGLBSA-N 0 1 271.813 3.373 20 10 CGCDMN C[C@@H]1CCSCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000792195087 629347962 /nfs/dbraw/zinc/34/79/62/629347962.db2.gz CHKNFJKHHMEPBY-SNVBAGLBSA-N 0 1 271.813 3.373 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@]23C[C@H]2COC3(C)C)cc1Cl ZINC000862468720 629383576 /nfs/dbraw/zinc/38/35/76/629383576.db2.gz MLUCKRAMYBUEBE-XHDPSFHLSA-N 0 1 281.783 3.011 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000793607865 629490618 /nfs/dbraw/zinc/49/06/18/629490618.db2.gz DLYCRFMGMJFKFV-KBPBESRZSA-N 0 1 299.773 3.328 20 10 CGCDMN CC[C@H](NCc1nnc(C)s1)c1ccc(C)cc1O ZINC000794820042 629581888 /nfs/dbraw/zinc/58/18/88/629581888.db2.gz ZYMWAJARLFDOOL-LBPRGKRZSA-N 0 1 277.393 3.101 20 10 CGCDMN CC1=C[C@H](C)C[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000797416868 629944533 /nfs/dbraw/zinc/94/45/33/629944533.db2.gz LBPBAXKCEINHJZ-LBPRGKRZSA-N 0 1 268.360 3.338 20 10 CGCDMN CC1=C[C@H](C)C[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000797416868 629944536 /nfs/dbraw/zinc/94/45/36/629944536.db2.gz LBPBAXKCEINHJZ-LBPRGKRZSA-N 0 1 268.360 3.338 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000797905014 629999967 /nfs/dbraw/zinc/99/99/67/629999967.db2.gz TYJUDJFOLVPEOK-OLZOCXBDSA-N 0 1 296.208 3.433 20 10 CGCDMN CN(C)c1cc(F)c(CNc2nccn2C2CC2)cc1F ZINC000865293354 630055183 /nfs/dbraw/zinc/05/51/83/630055183.db2.gz HHWUTYVGYQGOTI-UHFFFAOYSA-N 0 1 292.333 3.174 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000806181297 630553820 /nfs/dbraw/zinc/55/38/20/630553820.db2.gz WWOVFMZBENKKCZ-PRHODGIISA-N 0 1 286.278 3.139 20 10 CGCDMN CC[C@H]([NH2+]CCCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237951 630857922 /nfs/dbraw/zinc/85/79/22/630857922.db2.gz LTDHKULRSRONDB-LBPRGKRZSA-N 0 1 291.313 3.224 20 10 CGCDMN CC[C@@H]([NH2+]CCCCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237950 630858079 /nfs/dbraw/zinc/85/80/79/630858079.db2.gz LTDHKULRSRONDB-GFCCVEGCSA-N 0 1 291.313 3.224 20 10 CGCDMN Oc1ccccc1CNc1cc2c(cn1)CCCC2 ZINC000812781669 631306855 /nfs/dbraw/zinc/30/68/55/631306855.db2.gz DBQVKZRCUOCIRY-UHFFFAOYSA-N 0 1 254.333 3.278 20 10 CGCDMN COc1cccc(C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])c1 ZINC000876532004 634851712 /nfs/dbraw/zinc/85/17/12/634851712.db2.gz AKBCKNJPYNZDQT-UHFFFAOYSA-N 0 1 293.313 3.311 20 10 CGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@H]1CCCOC1 ZINC000816505133 631995547 /nfs/dbraw/zinc/99/55/47/631995547.db2.gz NUSUVYUTLDGMLG-CQSZACIVSA-N 0 1 285.387 3.404 20 10 CGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@H]1CCCOC1 ZINC000816505133 631995551 /nfs/dbraw/zinc/99/55/51/631995551.db2.gz NUSUVYUTLDGMLG-CQSZACIVSA-N 0 1 285.387 3.404 20 10 CGCDMN COC[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816509581 631997850 /nfs/dbraw/zinc/99/78/50/631997850.db2.gz VXKDXFUJMUDHJP-ZDUSSCGKSA-N 0 1 271.360 3.014 20 10 CGCDMN COC[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816509581 631997859 /nfs/dbraw/zinc/99/78/59/631997859.db2.gz VXKDXFUJMUDHJP-ZDUSSCGKSA-N 0 1 271.360 3.014 20 10 CGCDMN COC[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816509581 631997865 /nfs/dbraw/zinc/99/78/65/631997865.db2.gz VXKDXFUJMUDHJP-ZDUSSCGKSA-N 0 1 271.360 3.014 20 10 CGCDMN CC1(O)CCC([NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816554893 632009832 /nfs/dbraw/zinc/00/98/32/632009832.db2.gz LXTJBHRLDDLYEK-UHFFFAOYSA-N 0 1 285.387 3.329 20 10 CGCDMN CO[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC[C@@H]1C ZINC000816586391 632017149 /nfs/dbraw/zinc/01/71/49/632017149.db2.gz GSKJYKONPLQZGD-LKFCYVNXSA-N 0 1 287.762 3.042 20 10 CGCDMN C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816609045 632022882 /nfs/dbraw/zinc/02/28/82/632022882.db2.gz QKZIDOZLCXIGJT-DZGCQCFKSA-N 0 1 285.387 3.308 20 10 CGCDMN C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816609047 632023307 /nfs/dbraw/zinc/02/33/07/632023307.db2.gz QKZIDOZLCXIGJT-UKRRQHHQSA-N 0 1 285.387 3.308 20 10 CGCDMN CC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000817414963 632144713 /nfs/dbraw/zinc/14/47/13/632144713.db2.gz NIVLLRVEVZIPIF-STQMWFEESA-N 0 1 269.772 3.093 20 10 CGCDMN C[C@@H]([NH2+]CC(C)(C)N)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961123 632257333 /nfs/dbraw/zinc/25/73/33/632257333.db2.gz XLIOGJMLLDMJOW-SSDOTTSWSA-N 0 1 277.195 3.087 20 10 CGCDMN Oc1ccc(F)cc1CN[C@H]1C[C@]1(F)c1ccccc1 ZINC000822497948 632947679 /nfs/dbraw/zinc/94/76/79/632947679.db2.gz PFPBRGVJQXUIJF-HOTGVXAUSA-N 0 1 275.298 3.258 20 10 CGCDMN CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Cl)ccc1[O-] ZINC000866442469 633133819 /nfs/dbraw/zinc/13/38/19/633133819.db2.gz MIYBDJQFZIXWBO-ZYHUDNBSSA-N 0 1 293.741 3.102 20 10 CGCDMN C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cc(Cl)ccc1[O-] ZINC000866446621 633136327 /nfs/dbraw/zinc/13/63/27/633136327.db2.gz VYYCMPKICFXTNA-RIJNBJNWSA-N 0 1 293.794 3.120 20 10 CGCDMN C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc(Cl)cc1[O-] ZINC000866446918 633137047 /nfs/dbraw/zinc/13/70/47/633137047.db2.gz VJLSATWGGMORIT-RIJNBJNWSA-N 0 1 293.794 3.120 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(Cl)cc1[O-] ZINC000866612656 633212355 /nfs/dbraw/zinc/21/23/55/633212355.db2.gz AYEVQEAVVBHKAS-ZJUUUORDSA-N 0 1 279.771 3.191 20 10 CGCDMN COC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000824583282 633261593 /nfs/dbraw/zinc/26/15/93/633261593.db2.gz KRDCLJVXTXHPMG-AWEZNQCLSA-N 0 1 287.762 3.043 20 10 CGCDMN COC[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000824583284 633262198 /nfs/dbraw/zinc/26/21/98/633262198.db2.gz KRDCLJVXTXHPMG-CQSZACIVSA-N 0 1 287.762 3.043 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000824751371 633282755 /nfs/dbraw/zinc/28/27/55/633282755.db2.gz UUJLACCCMHLNLM-LBPRGKRZSA-N 0 1 295.810 3.485 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1Cl ZINC000824920611 633305831 /nfs/dbraw/zinc/30/58/31/633305831.db2.gz SLYUOZGXGAZDGW-IUODEOHRSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1Cl ZINC000824920611 633305834 /nfs/dbraw/zinc/30/58/34/633305834.db2.gz SLYUOZGXGAZDGW-IUODEOHRSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1Cl ZINC000824920611 633305840 /nfs/dbraw/zinc/30/58/40/633305840.db2.gz SLYUOZGXGAZDGW-IUODEOHRSA-N 0 1 295.810 3.355 20 10 CGCDMN CO[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])C(F)(F)F ZINC000825253952 633340319 /nfs/dbraw/zinc/34/03/19/633340319.db2.gz KQDVQEQGPOFADV-LLVKDONJSA-N 0 1 297.704 3.021 20 10 CGCDMN CO[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])C(C)C ZINC000825321157 633344868 /nfs/dbraw/zinc/34/48/68/633344868.db2.gz TVNPFCAJLNWMNQ-CQSZACIVSA-N 0 1 271.788 3.115 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCS2)cc1Cl ZINC000825337410 633347362 /nfs/dbraw/zinc/34/73/62/633347362.db2.gz LQUCVZZCUZHAIQ-NSHDSACASA-N 0 1 271.813 3.339 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCS2)cc1Cl ZINC000825337409 633347393 /nfs/dbraw/zinc/34/73/93/633347393.db2.gz LQUCVZZCUZHAIQ-LLVKDONJSA-N 0 1 271.813 3.339 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000825396660 633352183 /nfs/dbraw/zinc/35/21/83/633352183.db2.gz WFACXFVGCOCUSU-QWRGUYRKSA-N 0 1 283.799 3.400 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]2C2CC2)cc1Cl ZINC000826043699 633400534 /nfs/dbraw/zinc/40/05/34/633400534.db2.gz ORJHGMHJRBIEJX-ZDUSSCGKSA-N 0 1 251.757 3.338 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]2C2CC2)cc1Cl ZINC000826043699 633400537 /nfs/dbraw/zinc/40/05/37/633400537.db2.gz ORJHGMHJRBIEJX-ZDUSSCGKSA-N 0 1 251.757 3.338 20 10 CGCDMN Cc1cc(O)c(CN2CC3(CC(F)C3)C2)cc1Cl ZINC000826112773 633406184 /nfs/dbraw/zinc/40/61/84/633406184.db2.gz CKPHTVPKPCJKCS-UHFFFAOYSA-N 0 1 269.747 3.288 20 10 CGCDMN C[C@@H](CSCCF)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000826139503 633407553 /nfs/dbraw/zinc/40/75/53/633407553.db2.gz DNMJYMZJCFTUHW-VIFPVBQESA-N 0 1 277.792 3.226 20 10 CGCDMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1c([O-])ccc(Cl)c1F)C2 ZINC000827017654 633448692 /nfs/dbraw/zinc/44/86/92/633448692.db2.gz HNMAEUGHTMKWGB-GASCZTMLSA-N 0 1 299.773 3.043 20 10 CGCDMN CCN(C)c1ccc(CN(C)Cc2ccc(C)cn2)cc1 ZINC000831059080 633914831 /nfs/dbraw/zinc/91/48/31/633914831.db2.gz QQFAKEDDHPVQFY-UHFFFAOYSA-N 0 1 283.419 3.478 20 10 CGCDMN CCn1ccnc1CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834880268 634263756 /nfs/dbraw/zinc/26/37/56/634263756.db2.gz QUYUHUKPRPXAOH-ZYHUDNBSSA-N 0 1 289.354 3.086 20 10 CGCDMN CCCc1ncc(CN[C@H](C)c2cc(F)ccc2O)o1 ZINC000834900982 634278158 /nfs/dbraw/zinc/27/81/58/634278158.db2.gz VIMHXXCRLVLMAX-SNVBAGLBSA-N 0 1 278.327 3.323 20 10 CGCDMN COC(=O)c1ccc2c(c1)CN(Cc1c(C)cccc1O)C2 ZINC000876715462 634885178 /nfs/dbraw/zinc/88/51/78/634885178.db2.gz MHDBULKZWBPOBB-UHFFFAOYSA-N 0 1 297.354 3.003 20 10 CGCDMN CSCC[C@H](C)[N@@H+](C)Cc1ccc(C)cc1O ZINC000876753940 634892536 /nfs/dbraw/zinc/89/25/36/634892536.db2.gz KTUDXHANFONCIU-LBPRGKRZSA-N 0 1 253.411 3.274 20 10 CGCDMN CC(C)[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CCC1 ZINC000876758106 634893923 /nfs/dbraw/zinc/89/39/23/634893923.db2.gz IMBPODMPVGSITL-UHFFFAOYSA-N 0 1 255.308 3.433 20 10 CGCDMN C[C@H]([N@@H+](C)Cc1ccc(F)c(F)c1[O-])C1(C)CC1 ZINC000876805915 634901689 /nfs/dbraw/zinc/90/16/89/634901689.db2.gz IGZYROLCYLNXGR-VIFPVBQESA-N 0 1 255.308 3.291 20 10 CGCDMN COC[C@@H](NCc1ccc(C)cc1O)c1ccc(C)o1 ZINC000877080330 634976537 /nfs/dbraw/zinc/97/65/37/634976537.db2.gz IBGUDUZQGIYEMI-CQSZACIVSA-N 0 1 275.348 3.079 20 10 CGCDMN Cc1cnc([C@@H](C)NCc2ccc(C)cc2O)s1 ZINC000877081379 634977224 /nfs/dbraw/zinc/97/72/24/634977224.db2.gz NEKYHCQMWVOJRH-LLVKDONJSA-N 0 1 262.378 3.316 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCOCC2CCC2)c(Cl)c1 ZINC000840939416 635086546 /nfs/dbraw/zinc/08/65/46/635086546.db2.gz MMHYKMIZDUKLSJ-UHFFFAOYSA-N 0 1 283.799 3.260 20 10 CGCDMN CC[N@@H+](Cc1c([O-])cc(C)cc1Cl)C[C@H](C)OC ZINC000840948637 635091516 /nfs/dbraw/zinc/09/15/16/635091516.db2.gz VTYKEBZNENAIAG-NSHDSACASA-N 0 1 271.788 3.211 20 10 CGCDMN CC[N@H+](Cc1c([O-])cc(C)cc1Cl)C[C@H](C)OC ZINC000840948637 635091520 /nfs/dbraw/zinc/09/15/20/635091520.db2.gz VTYKEBZNENAIAG-NSHDSACASA-N 0 1 271.788 3.211 20 10 CGCDMN COc1cncc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1C ZINC000877612133 635112868 /nfs/dbraw/zinc/11/28/68/635112868.db2.gz DAKYLWISAOPQGI-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN CCC(O)(CC)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841746568 635221649 /nfs/dbraw/zinc/22/16/49/635221649.db2.gz IBAQCYNNBYNTAL-SNVBAGLBSA-N 0 1 271.788 3.247 20 10 CGCDMN Cc1nnsc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753211 635226702 /nfs/dbraw/zinc/22/67/02/635226702.db2.gz DWMZJDCSXWDVJI-ZETCQYMHSA-N 0 1 283.784 3.056 20 10 CGCDMN Cc1ncc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841752517 635226803 /nfs/dbraw/zinc/22/68/03/635226803.db2.gz BCTVSKOJCIJDRD-QMMMGPOBSA-N 0 1 266.728 3.193 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(Cl)cc1[O-] ZINC000841753762 635227522 /nfs/dbraw/zinc/22/75/22/635227522.db2.gz VTPFLPCJAWJEKJ-CMPLNLGQSA-N 0 1 267.756 3.389 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cn[nH]c1 ZINC000841752711 635227609 /nfs/dbraw/zinc/22/76/09/635227609.db2.gz VHSAGSOGHFPSLE-BDAKNGLRSA-N 0 1 265.744 3.181 20 10 CGCDMN COc1cccnc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841755519 635230307 /nfs/dbraw/zinc/23/03/07/635230307.db2.gz IBCRFQOUQVMEPP-SNVBAGLBSA-N 0 1 292.766 3.300 20 10 CGCDMN CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757677 635231506 /nfs/dbraw/zinc/23/15/06/635231506.db2.gz FEEDCXJCFWBJOM-PGUXBMHVSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841761788 635232674 /nfs/dbraw/zinc/23/26/74/635232674.db2.gz ZUNGWHYNPAEERH-NHYWBVRUSA-N 0 1 291.778 3.430 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000843419644 635664995 /nfs/dbraw/zinc/66/49/95/635664995.db2.gz NEBXIMJOTVWMSC-ZDUSSCGKSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844755107 635959387 /nfs/dbraw/zinc/95/93/87/635959387.db2.gz ACADVBRIVMHBRP-HNNXBMFYSA-N 0 1 290.313 3.172 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844755107 635959389 /nfs/dbraw/zinc/95/93/89/635959389.db2.gz ACADVBRIVMHBRP-HNNXBMFYSA-N 0 1 290.313 3.172 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846116473 636147019 /nfs/dbraw/zinc/14/70/19/636147019.db2.gz IEFCKOIXVXWWSH-GFCCVEGCSA-N 0 1 273.710 3.277 20 10 CGCDMN Oc1c(F)cc(F)cc1CN[C@H](C1CC1)C(F)(F)F ZINC000883120465 636545739 /nfs/dbraw/zinc/54/57/39/636545739.db2.gz DSCQRBLTCQSWQF-LLVKDONJSA-N 0 1 281.224 3.101 20 10 CGCDMN CCc1cccc(CNCc2ccn(C(C)C)n2)c1O ZINC000848896638 636679939 /nfs/dbraw/zinc/67/99/39/636679939.db2.gz FNNWYUJXURAUSR-UHFFFAOYSA-N 0 1 273.380 3.022 20 10 CGCDMN CCC[N@H+](Cc1ccc(OCC)cc1[O-])C(C)C ZINC000848924024 636696202 /nfs/dbraw/zinc/69/62/02/636696202.db2.gz UYLYURVDCPHFMJ-UHFFFAOYSA-N 0 1 251.370 3.411 20 10 CGCDMN CCC[N@@H+](Cc1ccc(OCC)cc1[O-])C(C)C ZINC000848924024 636696208 /nfs/dbraw/zinc/69/62/08/636696208.db2.gz UYLYURVDCPHFMJ-UHFFFAOYSA-N 0 1 251.370 3.411 20 10 CGCDMN Cc1noc([C@H](C)N(C)Cc2cc(Cl)c(F)cc2O)n1 ZINC000848926571 636699003 /nfs/dbraw/zinc/69/90/03/636699003.db2.gz ZRPFHHYKALTZHM-ZETCQYMHSA-N 0 1 299.733 3.069 20 10 CGCDMN CC1CCC(O)(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000087044798 636789544 /nfs/dbraw/zinc/78/95/44/636789544.db2.gz CXLCPXSXBJGIER-UHFFFAOYSA-N 0 1 283.799 3.076 20 10 CGCDMN Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1c([O-])cccc1Cl ZINC000849352458 636817745 /nfs/dbraw/zinc/81/77/45/636817745.db2.gz LVDSNRASKLYITE-OAHLLOKOSA-N 0 1 288.778 3.405 20 10 CGCDMN CN(C)c1ccc(CNCc2ccc(F)c(F)c2F)cc1 ZINC000850010382 636927088 /nfs/dbraw/zinc/92/70/88/636927088.db2.gz ANRIYXXTLPORSX-UHFFFAOYSA-N 0 1 294.320 3.460 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccc2ccccc2c1[O-] ZINC000850487958 637087960 /nfs/dbraw/zinc/08/79/60/637087960.db2.gz JYBQANFREHTVDC-PXAZEXFGSA-N 0 1 285.387 3.357 20 10 CGCDMN COc1cccc([C@H](C)N[C@@H](C)c2cscn2)c1O ZINC000850511261 637097451 /nfs/dbraw/zinc/09/74/51/637097451.db2.gz ARVFIDLSTVPYJO-UWVGGRQHSA-N 0 1 278.377 3.269 20 10 CGCDMN COCCN(CCF)Cc1cc(C(C)C)c(C)cc1O ZINC000853548463 637866785 /nfs/dbraw/zinc/86/67/85/637866785.db2.gz CYBHDQSSFZPAFQ-UHFFFAOYSA-N 0 1 283.387 3.242 20 10 CGCDMN CCC(F)(F)CNCc1c(O)ccc(Cl)c1F ZINC000858259657 638667671 /nfs/dbraw/zinc/66/76/71/638667671.db2.gz XVWZRCRHNVKEKA-UHFFFAOYSA-N 0 1 267.678 3.320 20 10 CGCDMN C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1cc(F)ccc1[O-] ZINC000927069841 638837842 /nfs/dbraw/zinc/83/78/42/638837842.db2.gz NJLHVGRMIKTEKW-BNLOLNQZSA-N 0 1 293.382 3.387 20 10 CGCDMN Cc1cc(C)c([C@H](C)NCc2cc(C3CC3)n(C)n2)c(O)c1 ZINC000927108483 638842930 /nfs/dbraw/zinc/84/29/30/638842930.db2.gz QKTLOARLTOMDQR-ZDUSSCGKSA-N 0 1 299.418 3.471 20 10 CGCDMN Cc1csc(CNCc2ccc(N(C)C)cc2C)n1 ZINC000117386492 639326810 /nfs/dbraw/zinc/32/68/10/639326810.db2.gz DRAMRCXCJYAGKF-UHFFFAOYSA-N 0 1 275.421 3.116 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2csc(C)n2)c1 ZINC000041010360 639898524 /nfs/dbraw/zinc/89/85/24/639898524.db2.gz IYBQUSGTXRJEJQ-SECBINFHSA-N 0 1 278.377 3.017 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccccn1 ZINC000159152416 640033450 /nfs/dbraw/zinc/03/34/50/640033450.db2.gz SBGFLTWPFAGFKE-AWEZNQCLSA-N 0 1 269.392 3.307 20 10 CGCDMN COc1ccc(O)c(CN[C@@H](C)c2nc(C)cs2)c1 ZINC000080270120 640460544 /nfs/dbraw/zinc/46/05/44/640460544.db2.gz LUDDNVDGXMKOIA-JTQLQIEISA-N 0 1 278.377 3.017 20 10 CGCDMN Cc1ccc(F)c(CN(C)Cc2ccccc2O)c1 ZINC000091956484 640727561 /nfs/dbraw/zinc/72/75/61/640727561.db2.gz NVXCXBYZVQPABD-UHFFFAOYSA-N 0 1 259.324 3.472 20 10 CGCDMN COc1cccc(C[N@@H+](C)C(C2CC2)C2CC2)c1O ZINC000092704076 640742764 /nfs/dbraw/zinc/74/27/64/640742764.db2.gz IUKJICRGOOLFEJ-UHFFFAOYSA-N 0 1 261.365 3.021 20 10 CGCDMN CN(C)c1ccc(-c2nc3ccc(N(C)C)cc3[nH]2)cc1 ZINC001250468954 805636072 /nfs/dbraw/zinc/63/60/72/805636072.db2.gz VNNNZGIKVNZAMC-UHFFFAOYSA-N 0 1 280.375 3.362 20 10 CGCDMN CN1CCCc2cc(CNCc3ccccc3F)ccc21 ZINC000050266801 798894728 /nfs/dbraw/zinc/89/47/28/798894728.db2.gz KZWYUATUUZHJRB-UHFFFAOYSA-N 0 1 284.378 3.498 20 10 CGCDMN C[C@@H]([NH2+]CC1(CO)CCC1)c1ccc2ccccc2c1[O-] ZINC000186547278 799117616 /nfs/dbraw/zinc/11/76/16/799117616.db2.gz KNGJRXPMTLMPQB-CYBMUJFWSA-N 0 1 285.387 3.359 20 10 CGCDMN Cc1ccoc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000380026179 799357584 /nfs/dbraw/zinc/35/75/84/799357584.db2.gz FIAMUVXELLPTNZ-UHFFFAOYSA-N 0 1 251.713 3.237 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1CC(F)(F)C1 ZINC000383239807 799401744 /nfs/dbraw/zinc/40/17/44/799401744.db2.gz IOHCDGWEEUDAFU-UHFFFAOYSA-N 0 1 261.699 3.181 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000400063236 799543380 /nfs/dbraw/zinc/54/33/80/799543380.db2.gz BTUKKJAXIVPQHN-GFCCVEGCSA-N 0 1 293.794 3.480 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000400063236 799543384 /nfs/dbraw/zinc/54/33/84/799543384.db2.gz BTUKKJAXIVPQHN-GFCCVEGCSA-N 0 1 293.794 3.480 20 10 CGCDMN CCC(C)(C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691397210 799784371 /nfs/dbraw/zinc/78/43/71/799784371.db2.gz XNKQRFBFYZROIH-UHFFFAOYSA-N 0 1 272.186 3.433 20 10 CGCDMN CC/C=C\C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691479300 799785332 /nfs/dbraw/zinc/78/53/32/799785332.db2.gz YYGVTKACMXFOAL-ARJAWSKDSA-N 0 1 270.170 3.211 20 10 CGCDMN CC[N@H+](Cc1ccc(Br)cc1[O-])C(C)C ZINC000691731143 799787260 /nfs/dbraw/zinc/78/72/60/799787260.db2.gz DAQHYEQVSQQSEE-UHFFFAOYSA-N 0 1 272.186 3.385 20 10 CGCDMN CC[N@@H+](Cc1ccc(Br)cc1[O-])C(C)C ZINC000691731143 799787263 /nfs/dbraw/zinc/78/72/63/799787263.db2.gz DAQHYEQVSQQSEE-UHFFFAOYSA-N 0 1 272.186 3.385 20 10 CGCDMN C[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])CC(F)F ZINC000697750485 799848356 /nfs/dbraw/zinc/84/83/56/799848356.db2.gz CFKFBWGSIAFVSQ-RKDXNWHRSA-N 0 1 261.287 3.473 20 10 CGCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C1(C)CC1 ZINC000706955665 799972066 /nfs/dbraw/zinc/97/20/66/799972066.db2.gz IBOBOJHMXYEGHS-VIFPVBQESA-N 0 1 284.197 3.433 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC23CCCC3)c1[O-] 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C[C@H]1C[N@@H+](Cc2c([O-])cccc2F)CCC1(F)F ZINC001137831910 803778678 /nfs/dbraw/zinc/77/86/78/803778678.db2.gz RWJDBKWYFGXNIW-VIFPVBQESA-N 0 1 259.271 3.008 20 10 CGCDMN CN1CCCc2cc(C[N@H+]3CCC[C@](C)(F)C3)ccc21 ZINC001138354715 803901176 /nfs/dbraw/zinc/90/11/76/803901176.db2.gz RHWKJYJJKRVGBP-KRWDZBQOSA-N 0 1 276.399 3.393 20 10 CGCDMN CN1CCCc2cc(CN3CCC[C@](C)(F)C3)ccc21 ZINC001138354715 803901181 /nfs/dbraw/zinc/90/11/81/803901181.db2.gz RHWKJYJJKRVGBP-KRWDZBQOSA-N 0 1 276.399 3.393 20 10 CGCDMN CCN(CC)c1ccc(CN2CC(C)(C)C2)c(OC)c1 ZINC001138387710 803912404 /nfs/dbraw/zinc/91/24/04/803912404.db2.gz IVBSYIDHFLQGNJ-UHFFFAOYSA-N 0 1 276.424 3.383 20 10 CGCDMN CC(C)[N@@H+](Cc1c(F)ccc(F)c1[O-])C1CCOCC1 ZINC001139690082 804254920 /nfs/dbraw/zinc/25/49/20/804254920.db2.gz OCOFWBGLSRVNFK-UHFFFAOYSA-N 0 1 285.334 3.060 20 10 CGCDMN Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2[O-])cn1 ZINC001140464597 804441099 /nfs/dbraw/zinc/44/10/99/804441099.db2.gz WOSOAJVQNKMVGQ-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN Cc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2[O-])cn1 ZINC001140464597 804441101 /nfs/dbraw/zinc/44/11/01/804441101.db2.gz WOSOAJVQNKMVGQ-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCC[C@@]1(C)O ZINC001140462510 804441516 /nfs/dbraw/zinc/44/15/16/804441516.db2.gz HULZVEWXJYNIDI-XHDPSFHLSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])CCC[C@@]1(C)O ZINC001140462510 804441524 /nfs/dbraw/zinc/44/15/24/804441524.db2.gz HULZVEWXJYNIDI-XHDPSFHLSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])CCC[C@@]1(C)O ZINC001140462510 804441528 /nfs/dbraw/zinc/44/15/28/804441528.db2.gz HULZVEWXJYNIDI-XHDPSFHLSA-N 0 1 283.799 3.029 20 10 CGCDMN CC[N@H+](Cc1cccnc1)Cc1ccc(Cl)cc1[O-] ZINC001140466196 804443145 /nfs/dbraw/zinc/44/31/45/804443145.db2.gz ATHIMUMDPRCTPX-UHFFFAOYSA-N 0 1 276.767 3.463 20 10 CGCDMN CC[N@@H+](Cc1cccnc1)Cc1ccc(Cl)cc1[O-] ZINC001140466196 804443151 /nfs/dbraw/zinc/44/31/51/804443151.db2.gz ATHIMUMDPRCTPX-UHFFFAOYSA-N 0 1 276.767 3.463 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001140464889 804443772 /nfs/dbraw/zinc/44/37/72/804443772.db2.gz FDZDLWGMZSLXFI-HNNXBMFYSA-N 0 1 281.783 3.048 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001140464889 804443773 /nfs/dbraw/zinc/44/37/73/804443773.db2.gz FDZDLWGMZSLXFI-HNNXBMFYSA-N 0 1 281.783 3.048 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001140583490 804466094 /nfs/dbraw/zinc/46/60/94/804466094.db2.gz IWBIRWKFDWNNBF-QMTHXVAHSA-N 0 1 267.319 3.435 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001140580699 804466912 /nfs/dbraw/zinc/46/69/12/804466912.db2.gz CXLPTGSMIDSNLY-QWRGUYRKSA-N 0 1 267.319 3.292 20 10 CGCDMN COc1ccc(C[N@@H+](C)Cc2c([O-])cc(F)cc2F)cc1 ZINC001140581521 804467140 /nfs/dbraw/zinc/46/71/40/804467140.db2.gz UDUDEQIKPNJTSN-UHFFFAOYSA-N 0 1 293.313 3.311 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001140583665 804467979 /nfs/dbraw/zinc/46/79/79/804467979.db2.gz QGRLUNQYXILPNY-MRVPVSSYSA-N 0 1 277.261 3.148 20 10 CGCDMN CC1(C)C[NH+](Cc2c([O-])cc(F)cc2F)CC(C)(C)O1 ZINC001140584456 804468808 /nfs/dbraw/zinc/46/88/08/804468808.db2.gz RXXQTLULKKSRFU-UHFFFAOYSA-N 0 1 285.334 3.060 20 10 CGCDMN FC[C@H]1CCCN1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078784 804585759 /nfs/dbraw/zinc/58/57/59/804585759.db2.gz IWJZPVIMNLJHCA-QGZVFWFLSA-N 0 1 288.410 3.319 20 10 CGCDMN Cc1ccc(CN2CCc3cccc(O)c3C2)c(F)c1 ZINC001141195424 804607587 /nfs/dbraw/zinc/60/75/87/804607587.db2.gz NKVXCBRNFPMFAQ-UHFFFAOYSA-N 0 1 271.335 3.398 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001142509082 804729159 /nfs/dbraw/zinc/72/91/59/804729159.db2.gz WKVFDKMEIAUUFY-LBPRGKRZSA-N 0 1 295.251 3.240 20 10 CGCDMN C[N@@H+](Cc1cccc(O)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142509141 804729192 /nfs/dbraw/zinc/72/91/92/804729192.db2.gz YJGPSENVHXLZHF-UHFFFAOYSA-N 0 1 279.286 3.008 20 10 CGCDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])Cc1ccccc1F ZINC001142520998 804732022 /nfs/dbraw/zinc/73/20/22/804732022.db2.gz UDGDJEKENWBCMO-UHFFFAOYSA-N 0 1 281.277 3.442 20 10 CGCDMN Cc1nc(CN(C)Cc2ccccc2O)ccc1Cl ZINC001248876792 805026626 /nfs/dbraw/zinc/02/66/26/805026626.db2.gz SUPLRPUCNCSFMD-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN CN1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2O)CC1 ZINC001248879493 805029506 /nfs/dbraw/zinc/02/95/06/805029506.db2.gz AJDPLVWNXUGLSF-UHFFFAOYSA-N 0 1 296.842 3.091 20 10 CGCDMN [O-]c1cc2ccccc2cc1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167908458 807271583 /nfs/dbraw/zinc/27/15/83/807271583.db2.gz DURNLBKSURLHPT-FOLVSLTJSA-N 0 1 253.345 3.434 20 10 CGCDMN CC[C@@H](C)C[C@@H](CC)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001258781855 807608702 /nfs/dbraw/zinc/60/87/02/807608702.db2.gz GQWNFZHUEJQBEL-DGCLKSJQSA-N 0 1 279.380 3.085 20 10 CGCDMN C[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1ccns1 ZINC001183196445 810139418 /nfs/dbraw/zinc/13/94/18/810139418.db2.gz BPLBONGKLWALTM-QMMMGPOBSA-N 0 1 268.769 3.353 20 10 CGCDMN CC(C)N(C(=O)c1cc(O)c(O)c(Cl)c1)C(C)C 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CC[C@@H](NCc1ccc(N2CCCC2)cc1)c1nccn1C ZINC000182386106 374268564 /nfs/dbraw/zinc/26/85/64/374268564.db2.gz PUXHNBSYVFVSRD-QGZVFWFLSA-N 0 1 298.434 3.261 20 10 CGCDMN C[C@H](NCc1cccc(Cl)c1O)C(=O)OC1CCCC1 ZINC000192007120 375687735 /nfs/dbraw/zinc/68/77/35/375687735.db2.gz VHXCYBNOSROUSC-JTQLQIEISA-N 0 1 297.782 3.010 20 10 CGCDMN OCC[N@@H+](Cc1ccccc1O)[C@@H]1CCCc2ccccc21 ZINC000271453979 378493864 /nfs/dbraw/zinc/49/38/64/378493864.db2.gz VKHKPVBAISRZHM-GOSISDBHSA-N 0 1 297.398 3.264 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc2ccccc2c1[O-] ZINC000273475309 378748817 /nfs/dbraw/zinc/74/88/17/378748817.db2.gz KNLYUWSPIAUPSZ-UONOGXRCSA-N 0 1 295.386 3.481 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000371803995 379177385 /nfs/dbraw/zinc/17/73/85/379177385.db2.gz TXSKAXYLYWFCSP-CYBMUJFWSA-N 0 1 295.810 3.294 20 10 CGCDMN Cc1cccc(CN2CCOC[C@@H]2c2ccccc2)c1O ZINC000374998515 379481470 /nfs/dbraw/zinc/48/14/70/379481470.db2.gz NRGRUQODMHAWNO-QGZVFWFLSA-N 0 1 283.371 3.274 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C1CCSCC1 ZINC000123541227 392429864 /nfs/dbraw/zinc/42/98/64/392429864.db2.gz BQQNMVPLZAKJAK-UHFFFAOYSA-N 0 1 257.786 3.031 20 10 CGCDMN CC[N@@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCO1 ZINC000132664441 392461346 /nfs/dbraw/zinc/46/13/46/392461346.db2.gz IADGXTKVSHTUAF-LLVKDONJSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[N@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCO1 ZINC000132664441 392461350 /nfs/dbraw/zinc/46/13/50/392461350.db2.gz IADGXTKVSHTUAF-LLVKDONJSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[N@@H+](CCC(=O)[O-])Cc1cc(C(C)C)c(C)cc1O ZINC000737097401 572860392 /nfs/dbraw/zinc/86/03/92/572860392.db2.gz ZFPACTUELBXMCJ-UHFFFAOYSA-N 0 1 279.380 3.121 20 10 CGCDMN Cc1n[nH]cc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000155251170 261100067 /nfs/dbraw/zinc/10/00/67/261100067.db2.gz NCBKDTGJLWOWDG-UHFFFAOYSA-N 0 1 298.434 3.340 20 10 CGCDMN CC[C@H](COC)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185503876 262056974 /nfs/dbraw/zinc/05/69/74/262056974.db2.gz UASHGQBVIOYBOX-MWLCHTKSSA-N 0 1 257.761 3.121 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000370720745 267342260 /nfs/dbraw/zinc/34/22/60/267342260.db2.gz ORGJUPXODGBZOW-CYBMUJFWSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000370720745 267342263 /nfs/dbraw/zinc/34/22/63/267342263.db2.gz ORGJUPXODGBZOW-CYBMUJFWSA-N 0 1 295.810 3.294 20 10 CGCDMN CC(C)c1nnc([C@@H](C)N[C@@H](C)c2ccccc2O)[nH]1 ZINC000272852031 328200851 /nfs/dbraw/zinc/20/08/51/328200851.db2.gz LHHCGPXMAAPTHD-WDEREUQCSA-N 0 1 274.368 3.046 20 10 CGCDMN COC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000375098764 329000487 /nfs/dbraw/zinc/00/04/87/329000487.db2.gz ZEKMMDSXHOSGSN-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@@H]1CCCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000375098764 329000488 /nfs/dbraw/zinc/00/04/88/329000488.db2.gz ZEKMMDSXHOSGSN-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000375098764 329000490 /nfs/dbraw/zinc/00/04/90/329000490.db2.gz ZEKMMDSXHOSGSN-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000527978676 330302395 /nfs/dbraw/zinc/30/23/95/330302395.db2.gz LFSYEWKWYCNGFL-FZZIBODNSA-N 0 1 269.772 3.264 20 10 CGCDMN CCOc1ccc(O)c(CN(Cc2cccnc2)C2CC2)c1 ZINC000290338454 521142586 /nfs/dbraw/zinc/14/25/86/521142586.db2.gz FHICDJVTAMLGLQ-UHFFFAOYSA-N 0 1 298.386 3.351 20 10 CGCDMN CCc1nnc(CN[C@@H](CC)c2ccc(C)cc2O)s1 ZINC000290097408 522745098 /nfs/dbraw/zinc/74/50/98/522745098.db2.gz HSPVFABLGACDMT-LBPRGKRZSA-N 0 1 291.420 3.355 20 10 CGCDMN C[C@H](CCCO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000094941572 524149926 /nfs/dbraw/zinc/14/99/26/524149926.db2.gz SFURJVSPHVCUHR-OLZOCXBDSA-N 0 1 273.376 3.357 20 10 CGCDMN Cc1ccc(CNCc2ccc3c(c2)CCCN3C)o1 ZINC000050266792 524584147 /nfs/dbraw/zinc/58/41/47/524584147.db2.gz SHGYAJJKIOODSL-UHFFFAOYSA-N 0 1 270.376 3.260 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000278540519 525622493 /nfs/dbraw/zinc/62/24/93/525622493.db2.gz NYRITYCUWJLXJG-NRUUGDAUSA-N 0 1 269.772 3.121 20 10 CGCDMN C[C@@]1(CCCO)CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000290300232 525826472 /nfs/dbraw/zinc/82/64/72/525826472.db2.gz BGLYFGRIVSCRAZ-HNNXBMFYSA-N 0 1 283.799 3.173 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOc1ccc(F)cc1 ZINC000733325872 572556486 /nfs/dbraw/zinc/55/64/86/572556486.db2.gz VKOHWIYEWSNNDS-UHFFFAOYSA-N 0 1 295.741 3.353 20 10 CGCDMN COC[C@H](NCc1ccc(OC)c(C)c1)c1ccccc1 ZINC000733332340 572558084 /nfs/dbraw/zinc/55/80/84/572558084.db2.gz SXFWJKWCOFOTST-KRWDZBQOSA-N 0 1 285.387 3.481 20 10 CGCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccncc1 ZINC000749295305 572991704 /nfs/dbraw/zinc/99/17/04/572991704.db2.gz LBKQRDKTBMSKAR-LLVKDONJSA-N 0 1 276.767 3.334 20 10 CGCDMN Cc1cc(O)c(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000833746861 604646424 /nfs/dbraw/zinc/64/64/24/604646424.db2.gz KNRXGPIIEKBRFS-KRWDZBQOSA-N 0 1 299.370 3.267 20 10 CGCDMN COc1cc(CN2Cc3ccccc3C2)c(O)cc1C ZINC000160156014 617607526 /nfs/dbraw/zinc/60/75/26/617607526.db2.gz HGIWMXSLURVKJM-UHFFFAOYSA-N 0 1 269.344 3.225 20 10 CGCDMN CC[C@@H]1CC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000310019115 619066432 /nfs/dbraw/zinc/06/64/32/619066432.db2.gz MIDSYXLVDCYSBA-BXKDBHETSA-N 0 1 284.197 3.433 20 10 CGCDMN COc1cccc(CNCc2ccc(N(C)C)cc2)c1F ZINC000192662357 619120488 /nfs/dbraw/zinc/12/04/88/619120488.db2.gz AWSJMFVVRDXJJW-UHFFFAOYSA-N 0 1 288.366 3.190 20 10 CGCDMN CC[N@@H+](Cc1[nH]nc(C)c1C)Cc1ccc(N(C)C)cc1 ZINC000893872787 619325522 /nfs/dbraw/zinc/32/55/22/619325522.db2.gz VSVBWKWMCNMLHI-UHFFFAOYSA-N 0 1 286.423 3.115 20 10 CGCDMN CCN(Cc1[nH]nc(C)c1C)Cc1ccc(N(C)C)cc1 ZINC000893872787 619325525 /nfs/dbraw/zinc/32/55/25/619325525.db2.gz VSVBWKWMCNMLHI-UHFFFAOYSA-N 0 1 286.423 3.115 20 10 CGCDMN CSc1ccc(CN(C)Cc2ccccc2O)o1 ZINC000893961643 619337594 /nfs/dbraw/zinc/33/75/94/619337594.db2.gz HTFFJLJQWNSMBV-UHFFFAOYSA-N 0 1 263.362 3.339 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000893948012 619338812 /nfs/dbraw/zinc/33/88/12/619338812.db2.gz PODMFKRUEZLMLL-OAHLLOKOSA-N 0 1 290.313 3.403 20 10 CGCDMN CSCC[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894038752 619356076 /nfs/dbraw/zinc/35/60/76/619356076.db2.gz FOXMFOUQQCAMHP-VIFPVBQESA-N 0 1 275.364 3.244 20 10 CGCDMN CCN(CC)c1ccc(CNCc2ocnc2C)cc1 ZINC000894194986 619409105 /nfs/dbraw/zinc/40/91/05/619409105.db2.gz SOFNWFMQPXMNKP-UHFFFAOYSA-N 0 1 273.380 3.119 20 10 CGCDMN C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)[C@@H](C)[C@H](C)O1 ZINC000792180199 619603720 /nfs/dbraw/zinc/60/37/20/619603720.db2.gz NMJTUBKVJGFCGD-UTLUCORTSA-N 0 1 287.762 3.182 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000895841218 619892028 /nfs/dbraw/zinc/89/20/28/619892028.db2.gz ADPDYUMAKLBNLK-LRDDRELGSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000895841218 619892031 /nfs/dbraw/zinc/89/20/31/619892031.db2.gz ADPDYUMAKLBNLK-LRDDRELGSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000895841218 619892033 /nfs/dbraw/zinc/89/20/33/619892033.db2.gz ADPDYUMAKLBNLK-LRDDRELGSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cccc(O)c1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897269359 620175924 /nfs/dbraw/zinc/17/59/24/620175924.db2.gz CTIKIEUWGVREGM-INIZCTEOSA-N 0 1 289.419 3.339 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@]23C[C@H]2COC32CCC2)cc1Cl ZINC000897389484 620281577 /nfs/dbraw/zinc/28/15/77/620281577.db2.gz WJMGPARLCLONRX-BLLLJJGKSA-N 0 1 293.794 3.155 20 10 CGCDMN Cc1cc(CN2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000046477895 622976120 /nfs/dbraw/zinc/97/61/20/622976120.db2.gz AQTVQAZHNCFBIF-CYBMUJFWSA-N 0 1 277.408 3.219 20 10 CGCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cccc(OC)n1 ZINC000171859295 623194256 /nfs/dbraw/zinc/19/42/56/623194256.db2.gz MNSKQCFDEPTCJF-UHFFFAOYSA-N 0 1 299.418 3.178 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2nccn2C(C)C)c1 ZINC000182392961 624996290 /nfs/dbraw/zinc/99/62/90/624996290.db2.gz QPYWBPYUKZPBMA-LBPRGKRZSA-N 0 1 289.379 3.029 20 10 CGCDMN CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000124573368 634428786 /nfs/dbraw/zinc/42/87/86/634428786.db2.gz GFZVNZNTYVLOJA-QMTHXVAHSA-N 0 1 279.355 3.497 20 10 CGCDMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000124573368 634428792 /nfs/dbraw/zinc/42/87/92/634428792.db2.gz GFZVNZNTYVLOJA-QMTHXVAHSA-N 0 1 279.355 3.497 20 10 CGCDMN Oc1ccccc1CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000184247167 625213207 /nfs/dbraw/zinc/21/32/07/625213207.db2.gz GSDQKDUPSVDMCT-SFHVURJKSA-N 0 1 297.398 3.226 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])CC(C)(C)COC ZINC000756078727 626675220 /nfs/dbraw/zinc/67/52/20/626675220.db2.gz IOYUHYCUTIQOST-UHFFFAOYSA-N 0 1 265.397 3.277 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])CC(C)(C)COC ZINC000756078727 626675223 /nfs/dbraw/zinc/67/52/23/626675223.db2.gz IOYUHYCUTIQOST-UHFFFAOYSA-N 0 1 265.397 3.277 20 10 CGCDMN CC[C@@H](NCc1cccc(C)c1O)c1nccs1 ZINC000124834830 634517214 /nfs/dbraw/zinc/51/72/14/634517214.db2.gz FXMJACMRWNQGNL-GFCCVEGCSA-N 0 1 262.378 3.398 20 10 CGCDMN Cc1ccnc(CN(Cc2ccccc2O)C2CCCC2)n1 ZINC000756531079 626712555 /nfs/dbraw/zinc/71/25/55/626712555.db2.gz FMHKUDPFQCYZAU-UHFFFAOYSA-N 0 1 297.402 3.435 20 10 CGCDMN COC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(C)C ZINC000756599348 626719896 /nfs/dbraw/zinc/71/98/96/626719896.db2.gz ZPLUGISTUAQESV-GWCFXTLKSA-N 0 1 271.788 3.367 20 10 CGCDMN COC(C)(C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756644367 626721987 /nfs/dbraw/zinc/72/19/87/626721987.db2.gz AWXBWKVZIMKCND-SECBINFHSA-N 0 1 257.761 3.121 20 10 CGCDMN C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)c2c1c(F)ccc2[O-] ZINC000756644346 626724011 /nfs/dbraw/zinc/72/40/11/626724011.db2.gz ARQYGEGDEDQFPL-MNXVOIDGSA-N 0 1 293.382 3.220 20 10 CGCDMN CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000840823242 626760800 /nfs/dbraw/zinc/76/08/00/626760800.db2.gz YPTUNJIQOCJXDK-IUPBHXKESA-N 0 1 269.772 3.264 20 10 CGCDMN CC[C@H]([NH2+][C@H](CO)CC(F)F)c1cc(Cl)ccc1[O-] ZINC000760040579 626937235 /nfs/dbraw/zinc/93/72/35/626937235.db2.gz SQJYEWQDLNJALK-ONGXEEELSA-N 0 1 293.741 3.102 20 10 CGCDMN CC[C@@H]1COCCN1Cc1ccc(N(CC)CC)cc1 ZINC000768882157 627505986 /nfs/dbraw/zinc/50/59/86/627505986.db2.gz RJQUUMYJKNQYHK-MRXNPFEDSA-N 0 1 276.424 3.144 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000769003784 627515232 /nfs/dbraw/zinc/51/52/32/627515232.db2.gz JSHVFUNRXBSWLN-UHFFFAOYSA-N 0 1 291.782 3.148 20 10 CGCDMN CCOc1ccc(C[N@H+]2CCOC[C@H]2CC(C)C)c(O)c1 ZINC000769399377 627548477 /nfs/dbraw/zinc/54/84/77/627548477.db2.gz PQLZYNJGYURZHK-OAHLLOKOSA-N 0 1 293.407 3.038 20 10 CGCDMN CCOc1ccc(CN2CCOC[C@H]2CC(C)C)c(O)c1 ZINC000769399377 627548479 /nfs/dbraw/zinc/54/84/79/627548479.db2.gz PQLZYNJGYURZHK-OAHLLOKOSA-N 0 1 293.407 3.038 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000769485675 627559517 /nfs/dbraw/zinc/55/95/17/627559517.db2.gz NNDNXRAEMNCQEU-INIZCTEOSA-N 0 1 295.810 3.438 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000769485675 627559518 /nfs/dbraw/zinc/55/95/18/627559518.db2.gz NNDNXRAEMNCQEU-INIZCTEOSA-N 0 1 295.810 3.438 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]CC2(CO)CCCC2)c2c1c(F)ccc2[O-] ZINC000769995762 627596216 /nfs/dbraw/zinc/59/62/16/627596216.db2.gz KRGNODXIFAUYGE-AAEUAGOBSA-N 0 1 293.382 3.222 20 10 CGCDMN CCC[N@@H+](Cc1ccc(OCC)cc1[O-])CC1CC1 ZINC000771925067 627745042 /nfs/dbraw/zinc/74/50/42/627745042.db2.gz WFQYWUVNWRVQKJ-UHFFFAOYSA-N 0 1 263.381 3.413 20 10 CGCDMN CCC[N@H+](Cc1ccc(OCC)cc1[O-])CC1CC1 ZINC000771925067 627745044 /nfs/dbraw/zinc/74/50/44/627745044.db2.gz WFQYWUVNWRVQKJ-UHFFFAOYSA-N 0 1 263.381 3.413 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775489758 628100110 /nfs/dbraw/zinc/10/01/10/628100110.db2.gz RUYUSUHKCJGPJO-GWCFXTLKSA-N 0 1 269.772 3.123 20 10 CGCDMN CC[C@@H]([NH2+]CCN(C)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775499834 628101085 /nfs/dbraw/zinc/10/10/85/628101085.db2.gz FWKYREGKENECBU-CQSZACIVSA-N 0 1 284.831 3.427 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](O)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775508817 628102373 /nfs/dbraw/zinc/10/23/73/628102373.db2.gz XNBIZSLCAKAWIW-GXTWGEPZSA-N 0 1 271.788 3.103 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](O)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775508819 628102562 /nfs/dbraw/zinc/10/25/62/628102562.db2.gz XNBIZSLCAKAWIW-OCCSQVGLSA-N 0 1 271.788 3.103 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCS1 ZINC000775675772 628123956 /nfs/dbraw/zinc/12/39/56/628123956.db2.gz BWXHOBQWCUOROM-MRVPVSSYSA-N 0 1 275.776 3.122 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000775725699 628129425 /nfs/dbraw/zinc/12/94/25/628129425.db2.gz LXJLAOJWOYPYRT-MNOVXSKESA-N 0 1 299.773 3.043 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000775735959 628131485 /nfs/dbraw/zinc/13/14/85/628131485.db2.gz HLMGTZQIYQRHSO-IINYFYTJSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000775738553 628131506 /nfs/dbraw/zinc/13/15/06/628131506.db2.gz HFPIBPHKGSHNTI-JSGCOSHPSA-N 0 1 295.810 3.294 20 10 CGCDMN Oc1ccc(F)cc1CN1CCOC2(C1)CCCCCC2 ZINC000779026124 628384389 /nfs/dbraw/zinc/38/43/89/628384389.db2.gz TVBYIBIGVMCBGI-UHFFFAOYSA-N 0 1 293.382 3.457 20 10 CGCDMN CC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cn1 ZINC000779044921 628385290 /nfs/dbraw/zinc/38/52/90/628385290.db2.gz HSSBLPRBCLARJH-HNNXBMFYSA-N 0 1 286.350 3.397 20 10 CGCDMN CC(C)[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000779150842 628391143 /nfs/dbraw/zinc/39/11/43/628391143.db2.gz SXWOKVSWZTXMFL-CYBMUJFWSA-N 0 1 287.762 3.042 20 10 CGCDMN CCN(CC)c1ccc(CN(C)Cc2cnoc2C)cc1 ZINC000782475260 628649193 /nfs/dbraw/zinc/64/91/93/628649193.db2.gz YJEGFFDXTIRNSO-UHFFFAOYSA-N 0 1 287.407 3.461 20 10 CGCDMN C[C@H](Nc1cnn(-c2ccncc2)c1)c1ccccc1O ZINC000783529455 628722772 /nfs/dbraw/zinc/72/27/72/628722772.db2.gz UTGBXGZBQDQRKO-LBPRGKRZSA-N 0 1 280.331 3.146 20 10 CGCDMN O=C(Nc1cnc2ccccc2c1)c1c(F)ccc(O)c1O ZINC000789947151 629175936 /nfs/dbraw/zinc/17/59/36/629175936.db2.gz WQOFQKRTYVUKMC-UHFFFAOYSA-N 0 1 298.273 3.037 20 10 CGCDMN C[N@@H+](CCC1CC1)Cc1c([O-])ccc(Cl)c1F ZINC000792172612 629344092 /nfs/dbraw/zinc/34/40/92/629344092.db2.gz HMBURBUPABRIRJ-UHFFFAOYSA-N 0 1 257.736 3.417 20 10 CGCDMN CC[C@]1(C)COCCN1Cc1c(O)ccc(Cl)c1F ZINC000792175491 629345066 /nfs/dbraw/zinc/34/50/66/629345066.db2.gz UBLZLUGVPANBRB-CQSZACIVSA-N 0 1 287.762 3.186 20 10 CGCDMN COC[C@@H]1CCCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862390130 629360088 /nfs/dbraw/zinc/36/00/88/629360088.db2.gz BDNURPLQWAWBAR-ZDUSSCGKSA-N 0 1 298.377 3.032 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1Cl ZINC000862516883 629390183 /nfs/dbraw/zinc/39/01/83/629390183.db2.gz ANIUTYZCCZROFV-DDIVZENXSA-N 0 1 283.799 3.256 20 10 CGCDMN Cc1cccc(CN2CCOc3cc(F)ccc3C2)c1O ZINC000862549589 629401229 /nfs/dbraw/zinc/40/12/29/629401229.db2.gz BAKKBKBVVKQHDS-UHFFFAOYSA-N 0 1 287.334 3.234 20 10 CGCDMN Oc1cc2c(cc1CN1CCCC[C@H]1c1cc[nH]n1)CCC2 ZINC000795673051 629708508 /nfs/dbraw/zinc/70/85/08/629708508.db2.gz RAZFZHREJKVXNH-KRWDZBQOSA-N 0 1 297.402 3.331 20 10 CGCDMN Fc1cc(CNCc2ccc3c(c2)CCO3)cnc1Cl ZINC000865440615 630125562 /nfs/dbraw/zinc/12/55/62/630125562.db2.gz LAXYFOZPXRBSMZ-UHFFFAOYSA-N 0 1 292.741 3.099 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000798965433 630132090 /nfs/dbraw/zinc/13/20/90/630132090.db2.gz XOEKKGDMBUPLMZ-GFCCVEGCSA-N 0 1 287.762 3.186 20 10 CGCDMN CCCC[N@H+](CCC[C@H](C)O)Cc1ccccc1[O-] ZINC000801595153 630346332 /nfs/dbraw/zinc/34/63/32/630346332.db2.gz WNQFDIVJCBLEKG-AWEZNQCLSA-N 0 1 265.397 3.155 20 10 CGCDMN CCCC[N@@H+](CCC[C@H](C)O)Cc1ccccc1[O-] ZINC000801595153 630346334 /nfs/dbraw/zinc/34/63/34/630346334.db2.gz WNQFDIVJCBLEKG-AWEZNQCLSA-N 0 1 265.397 3.155 20 10 CGCDMN CC(C)(F)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837080 630600312 /nfs/dbraw/zinc/60/03/12/630600312.db2.gz AJJZPSIRCWWYFC-UHFFFAOYSA-N 0 1 280.126 3.063 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](O)C2)c1[O-] ZINC000808715977 630669940 /nfs/dbraw/zinc/66/99/40/630669940.db2.gz PCADVBJNDVDTBH-GMXVVIOVSA-N 0 1 283.799 3.166 20 10 CGCDMN Cc1noc([C@@H]2CCCCN2Cc2cccc(C)c2O)n1 ZINC000809718885 630791270 /nfs/dbraw/zinc/79/12/70/630791270.db2.gz QZJNJEPTZNVLKW-AWEZNQCLSA-N 0 1 287.363 3.119 20 10 CGCDMN CC[C@@H]([NH2+][C@H](C)CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219576 630855744 /nfs/dbraw/zinc/85/57/44/630855744.db2.gz TYQBHNISCDUXLQ-BXKDBHETSA-N 0 1 291.313 3.223 20 10 CGCDMN CC[C@]1(C)COCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815078805 631712452 /nfs/dbraw/zinc/71/24/52/631712452.db2.gz GYIHTWDHIIMAME-QGZVFWFLSA-N 0 1 276.424 3.062 20 10 CGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])[C@@H]1CCSC1 ZINC000816485469 631991469 /nfs/dbraw/zinc/99/14/69/631991469.db2.gz NZVWHLZPNTUPAW-CQSZACIVSA-N 0 1 273.401 3.483 20 10 CGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])[C@@H]1CCSC1 ZINC000816485469 631991476 /nfs/dbraw/zinc/99/14/76/631991476.db2.gz NZVWHLZPNTUPAW-CQSZACIVSA-N 0 1 273.401 3.483 20 10 CGCDMN C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816513205 632001042 /nfs/dbraw/zinc/00/10/42/632001042.db2.gz JWKZZCFUQSCTMM-BBRMVZONSA-N 0 1 285.387 3.281 20 10 CGCDMN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816513205 632001050 /nfs/dbraw/zinc/00/10/50/632001050.db2.gz JWKZZCFUQSCTMM-BBRMVZONSA-N 0 1 285.387 3.281 20 10 CGCDMN COc1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])cn1 ZINC000816533503 632006157 /nfs/dbraw/zinc/00/61/57/632006157.db2.gz YXSXJFSUVGPIJI-UHFFFAOYSA-N 0 1 294.354 3.239 20 10 CGCDMN [O-]c1c(C[NH2+]Cc2cccc(CO)c2)ccc2ccccc21 ZINC000816547859 632007565 /nfs/dbraw/zinc/00/75/65/632007565.db2.gz LROQJUKWHQOFTH-UHFFFAOYSA-N 0 1 293.366 3.328 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@H](O)c2ccsc2)ccc2ccccc12 ZINC000816552732 632010462 /nfs/dbraw/zinc/01/04/62/632010462.db2.gz UTYCONSHEHIPLO-INIZCTEOSA-N 0 1 299.395 3.430 20 10 CGCDMN COCC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCC1 ZINC000816599752 632020912 /nfs/dbraw/zinc/02/09/12/632020912.db2.gz XHRIFFYUFKHFJT-UHFFFAOYSA-N 0 1 285.387 3.452 20 10 CGCDMN Cc1cc(Br)cc(CN2C[C@H](C)[C@@H]2C)c1O ZINC000816649143 632038132 /nfs/dbraw/zinc/03/81/32/632038132.db2.gz UXEJVHGBRYHYJZ-UWVGGRQHSA-N 0 1 284.197 3.303 20 10 CGCDMN COc1cccc(O)c1CN[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000818231084 632299950 /nfs/dbraw/zinc/29/99/50/632299950.db2.gz VCYXIKUFRFAGQU-IAGOWNOFSA-N 0 1 287.334 3.128 20 10 CGCDMN CS[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000824683769 633273333 /nfs/dbraw/zinc/27/33/33/633273333.db2.gz UYQJILIPSJYXEE-SNVBAGLBSA-N 0 1 275.776 3.122 20 10 CGCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H](CO)CC(C)(C)C ZINC000825039982 633321158 /nfs/dbraw/zinc/32/11/58/633321158.db2.gz DZDVFITYBUHIQU-LBPRGKRZSA-N 0 1 285.815 3.275 20 10 CGCDMN Cc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])n1 ZINC000825119382 633330118 /nfs/dbraw/zinc/33/01/18/633330118.db2.gz AKKHYRTWWCZBDS-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN COC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000825321725 633345064 /nfs/dbraw/zinc/34/50/64/633345064.db2.gz MGJLNRPQNHZNFA-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000825321725 633345068 /nfs/dbraw/zinc/34/50/68/633345068.db2.gz MGJLNRPQNHZNFA-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000825321725 633345070 /nfs/dbraw/zinc/34/50/70/633345070.db2.gz MGJLNRPQNHZNFA-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2(CO)CCCCC2)cc1Cl ZINC000825520211 633360561 /nfs/dbraw/zinc/36/05/61/633360561.db2.gz WOYVLLWIFZHORR-UHFFFAOYSA-N 0 1 283.799 3.139 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)c2ccsc2)cc1Cl ZINC000825537115 633362998 /nfs/dbraw/zinc/36/29/98/633362998.db2.gz RMCAUKOUVUDDFF-ZDUSSCGKSA-N 0 1 297.807 3.239 20 10 CGCDMN CCC(CC)(CCO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825784668 633381885 /nfs/dbraw/zinc/38/18/85/633381885.db2.gz KXKBYEAVINMUNU-UHFFFAOYSA-N 0 1 285.815 3.385 20 10 CGCDMN Cc1cc(O)c(CN[C@H]2C[C@@H](C)n3ccnc32)cc1Cl ZINC000826083842 633404424 /nfs/dbraw/zinc/40/44/24/633404424.db2.gz NIZPHPVPKWTWLL-MFKMUULPSA-N 0 1 291.782 3.346 20 10 CGCDMN C[C@@]12COC[C@H]1C[N@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000827284941 633478694 /nfs/dbraw/zinc/47/86/94/633478694.db2.gz WZDFZJHZOVXGCH-CRAIPNDOSA-N 0 1 283.371 3.014 20 10 CGCDMN C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000827284941 633478695 /nfs/dbraw/zinc/47/86/95/633478695.db2.gz WZDFZJHZOVXGCH-CRAIPNDOSA-N 0 1 283.371 3.014 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH+]2[C@@H](C)CC[C@@H]2C)c1[O-] ZINC000123408006 633672163 /nfs/dbraw/zinc/67/21/63/633672163.db2.gz HUTDJKOSUKUDFZ-UWVGGRQHSA-N 0 1 265.328 3.107 20 10 CGCDMN CCCOc1ccc(CNCc2cnn(C)c2C)cc1C ZINC000873098500 634246318 /nfs/dbraw/zinc/24/63/18/634246318.db2.gz RIPXFNMOHAYKCC-UHFFFAOYSA-N 0 1 287.407 3.116 20 10 CGCDMN C[C@H](N[C@@H]1CCn2ccnc21)c1cc2c(cc1O)CCCC2 ZINC000834829997 634250272 /nfs/dbraw/zinc/25/02/72/634250272.db2.gz AWGXOUZUZWGDNE-BLLLJJGKSA-N 0 1 297.402 3.263 20 10 CGCDMN C[C@@H]1C[C@H](N[C@H]2CCn3ccnc32)c2c1c(F)ccc2O ZINC000834832875 634252146 /nfs/dbraw/zinc/25/21/46/634252146.db2.gz SIUXNGUGIYKSBU-USWWRNFRSA-N 0 1 287.338 3.011 20 10 CGCDMN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCn3ccnc32)cc1 ZINC000834835769 634252797 /nfs/dbraw/zinc/25/27/97/634252797.db2.gz JKBOXZIWSPFJKB-CZUORRHYSA-N 0 1 284.407 3.135 20 10 CGCDMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000834894239 634271762 /nfs/dbraw/zinc/27/17/62/634271762.db2.gz JLBKZQOKHFTHKN-QWHCGFSZSA-N 0 1 273.380 3.329 20 10 CGCDMN CN(C)c1ccc(/C=C\CN(C)Cc2ccccn2)cc1 ZINC000835048528 634334638 /nfs/dbraw/zinc/33/46/38/634334638.db2.gz TZLQYKBDTYZSCN-SREVYHEPSA-N 0 1 281.403 3.293 20 10 CGCDMN CCc1ncc(CNC/C=C\c2ccc(N(C)C)cc2)o1 ZINC000835055290 634339821 /nfs/dbraw/zinc/33/98/21/634339821.db2.gz UJTIZLTWIWWAAK-WAYWQWQTSA-N 0 1 285.391 3.106 20 10 CGCDMN CC1(C)C[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000835060639 634342157 /nfs/dbraw/zinc/34/21/57/634342157.db2.gz SLKRXFCHMUUSSS-NSHDSACASA-N 0 1 283.799 3.340 20 10 CGCDMN Cc1ccc(CN2CCCC[C@@H]2c2ncc[nH]2)c(O)c1 ZINC000876657510 634876745 /nfs/dbraw/zinc/87/67/45/634876745.db2.gz GEQCWSRWNKWADW-CQSZACIVSA-N 0 1 271.364 3.151 20 10 CGCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877486035 635055635 /nfs/dbraw/zinc/05/56/35/635055635.db2.gz CLPNSUHTKFRPHH-IONNQARKSA-N 0 1 295.251 3.443 20 10 CGCDMN CC[C@H](CSC)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531507 635074439 /nfs/dbraw/zinc/07/44/39/635074439.db2.gz OCXQCVORILVNKG-SNVBAGLBSA-N 0 1 275.364 3.244 20 10 CGCDMN [O-]c1c(C[NH2+]C2(C(F)F)CCCC2)ccc(F)c1F ZINC000877536603 635077575 /nfs/dbraw/zinc/07/75/75/635077575.db2.gz WTQKGRRQMORTAG-UHFFFAOYSA-N 0 1 277.261 3.338 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)c2ccsc2)c(Cl)c1 ZINC000840898439 635078241 /nfs/dbraw/zinc/07/82/41/635078241.db2.gz DWAGYKMAQKWBMB-CQSZACIVSA-N 0 1 297.807 3.239 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c(Cl)c1 ZINC000840919355 635083057 /nfs/dbraw/zinc/08/30/57/635083057.db2.gz CSBIPMAQIZSZBI-SWLSCSKDSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]3COCC[C@H]32)c(Cl)c1 ZINC000840919355 635083061 /nfs/dbraw/zinc/08/30/61/635083061.db2.gz CSBIPMAQIZSZBI-SWLSCSKDSA-N 0 1 295.810 3.355 20 10 CGCDMN [O-]c1c(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)ccc2ccccc21 ZINC000877683014 635144028 /nfs/dbraw/zinc/14/40/28/635144028.db2.gz SCWNCMDSIMDLNY-CARYNNKMSA-N 0 1 295.382 3.058 20 10 CGCDMN Cc1ccncc1CCC[N@H+]1Cc2cccc(O)c2C1 ZINC000877703012 635154346 /nfs/dbraw/zinc/15/43/46/635154346.db2.gz OHNMMIUNTTWTNL-UHFFFAOYSA-N 0 1 268.360 3.044 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1Cl ZINC000877704095 635155656 /nfs/dbraw/zinc/15/56/56/635155656.db2.gz ZIBSNAIOSKGWDY-PSASIEDQSA-N 0 1 279.689 3.394 20 10 CGCDMN C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841751261 635225354 /nfs/dbraw/zinc/22/53/54/635225354.db2.gz GYVMLMASYDTPSS-SSDOTTSWSA-N 0 1 283.677 3.233 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(Cl)cc1[O-] ZINC000841752823 635226690 /nfs/dbraw/zinc/22/66/90/635226690.db2.gz CIMKVTGAFNDAKT-JFGNBEQYSA-N 0 1 269.772 3.264 20 10 CGCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1cnn(C)c1 ZINC000841754614 635229247 /nfs/dbraw/zinc/22/92/47/635229247.db2.gz LAWNJDWKIGLDLR-NXEZZACHSA-N 0 1 279.771 3.191 20 10 CGCDMN CC[C@@H](C)C[C@H](NCc1cccc(Cl)c1O)C(=O)OC ZINC000843415257 635661528 /nfs/dbraw/zinc/66/15/28/635661528.db2.gz HLCPQFCNECWLEZ-MFKMUULPSA-N 0 1 299.798 3.113 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](OC(C)C)C2)c(Cl)c1 ZINC000843414211 635661888 /nfs/dbraw/zinc/66/18/88/635661888.db2.gz XAFVWABZZBOYRO-GFCCVEGCSA-N 0 1 283.799 3.353 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c(Cl)c1 ZINC000843414211 635661892 /nfs/dbraw/zinc/66/18/92/635661892.db2.gz XAFVWABZZBOYRO-GFCCVEGCSA-N 0 1 283.799 3.353 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000843419740 635665288 /nfs/dbraw/zinc/66/52/88/635665288.db2.gz RUVPWYSAUREUHM-CYBMUJFWSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000843419740 635665292 /nfs/dbraw/zinc/66/52/92/635665292.db2.gz RUVPWYSAUREUHM-CYBMUJFWSA-N 0 1 288.778 3.430 20 10 CGCDMN C[C@H](NCc1ccn(C)n1)c1ccc2ccccc2c1O ZINC000212215720 636311156 /nfs/dbraw/zinc/31/11/56/636311156.db2.gz PWIZIOBGUIRQAG-LBPRGKRZSA-N 0 1 281.359 3.130 20 10 CGCDMN CC1(C)COCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000130863320 636523551 /nfs/dbraw/zinc/52/35/51/636523551.db2.gz XODGPTORLZKRMB-UHFFFAOYSA-N 0 1 288.435 3.288 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848574613 636612887 /nfs/dbraw/zinc/61/28/87/636612887.db2.gz GLZRFDAWSICZPY-HUUCEWRRSA-N 0 1 294.826 3.152 20 10 CGCDMN CC[C@@H](NC1(c2ncccn2)CCC1)c1ccccc1O ZINC000883311686 636662072 /nfs/dbraw/zinc/66/20/72/636662072.db2.gz IYRGPYRQKZXIAY-CQSZACIVSA-N 0 1 283.375 3.302 20 10 CGCDMN CCc1cccc(CN[C@H](C)c2nccn2CC)c1O ZINC000848914307 636688694 /nfs/dbraw/zinc/68/86/94/636688694.db2.gz GPNIDSQJQDCUCG-GFCCVEGCSA-N 0 1 273.380 3.022 20 10 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COc1ccc(C[N@@H+](C)CCc2ccc(C)cc2)c(O)c1 ZINC001203627791 812411054 /nfs/dbraw/zinc/41/10/54/812411054.db2.gz PJUSEMMQQXAGFT-UHFFFAOYSA-N 0 1 285.387 3.384 20 10 CGCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C1CC(F)(F)C1 ZINC001203648838 812415928 /nfs/dbraw/zinc/41/59/28/812415928.db2.gz WZBFPCQRMZVKJU-UHFFFAOYSA-N 0 1 261.699 3.275 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C1CC(F)(F)C1 ZINC001203648838 812415935 /nfs/dbraw/zinc/41/59/35/812415935.db2.gz WZBFPCQRMZVKJU-UHFFFAOYSA-N 0 1 261.699 3.275 20 10 CGCDMN CCN(CC)c1ccc(CN2CCOC[C@H]2C(C)C)cc1 ZINC001203942908 812499288 /nfs/dbraw/zinc/49/92/88/812499288.db2.gz YDWXFDQONMANIO-SFHVURJKSA-N 0 1 290.451 3.390 20 10 CGCDMN C[N@@H+](Cc1cccc(O)c1)Cc1cc(F)cc(F)c1[O-] ZINC001204145404 812558297 /nfs/dbraw/zinc/55/82/97/812558297.db2.gz MZKWANYGQUSFJC-UHFFFAOYSA-N 0 1 279.286 3.008 20 10 CGCDMN [NH3+][C@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001205123365 812876951 /nfs/dbraw/zinc/87/69/51/812876951.db2.gz AMHGBFVSPYZSRN-VIFPVBQESA-N 0 1 289.206 3.012 20 10 CGCDMN [NH3+][C@H]1CCCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001205939260 813141681 /nfs/dbraw/zinc/14/16/81/813141681.db2.gz PCJODDZWALRYFX-VIFPVBQESA-N 0 1 289.206 3.012 20 10 CGCDMN CN(C)Cc1cccc(Nc2ccc(N)cc2)c1F ZINC001216231341 815748391 /nfs/dbraw/zinc/74/83/91/815748391.db2.gz GUUWBTDGMLNUPG-UHFFFAOYSA-N 0 1 259.328 3.213 20 10 CGCDMN C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231453243 818102799 /nfs/dbraw/zinc/10/27/99/818102799.db2.gz JEXKUKWCAUPBIA-YEORSEQZSA-N 0 1 277.364 3.101 20 10 CGCDMN Cc1cc(O)c(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)cc1Cl ZINC001231867069 818192137 /nfs/dbraw/zinc/19/21/37/818192137.db2.gz HFLGPTCHJQRZED-MNOVXSKESA-N 0 1 287.737 3.441 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)cc1Cl ZINC001231867069 818192139 /nfs/dbraw/zinc/19/21/39/818192139.db2.gz HFLGPTCHJQRZED-MNOVXSKESA-N 0 1 287.737 3.441 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)cc1Cl ZINC001231867069 818192141 /nfs/dbraw/zinc/19/21/41/818192141.db2.gz 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[O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237622113 819788991 /nfs/dbraw/zinc/78/89/91/819788991.db2.gz MYEXQAKPTYVYTH-SWPVVBRQSA-N 0 1 273.710 3.117 20 10 CGCDMN CN(Cc1cc(F)cc(Cl)c1O)CC(F)(F)F ZINC001237808246 819847426 /nfs/dbraw/zinc/84/74/26/819847426.db2.gz SIUFMXQHCFSIKK-UHFFFAOYSA-N 0 1 271.641 3.179 20 10 CGCDMN C[N@@H+](Cc1ccccn1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237808784 819847910 /nfs/dbraw/zinc/84/79/10/819847910.db2.gz WKPMUWSLRNJHHW-UHFFFAOYSA-N 0 1 280.730 3.212 20 10 CGCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC001237938086 819889771 /nfs/dbraw/zinc/88/97/71/819889771.db2.gz XNPRNPWQLLJJQC-UHFFFAOYSA-N 0 1 299.773 3.187 20 10 CGCDMN Cc1cc(F)cc(CN2CCCC[C@@H](F)C2)c1O ZINC001238057746 819919286 /nfs/dbraw/zinc/91/92/86/819919286.db2.gz MBUIOLCRKMMOOM-GFCCVEGCSA-N 0 1 255.308 3.164 20 10 CGCDMN Cc1cc(F)cc(CN2CCOc3ccccc3C2)c1O ZINC001238062243 819920578 /nfs/dbraw/zinc/92/05/78/819920578.db2.gz OEFZFAZHEVNGTJ-UHFFFAOYSA-N 0 1 287.334 3.234 20 10 CGCDMN Cc1cnc2c(c1)CN(Cc1cc(F)cc(C)c1O)CC2 ZINC001238066100 819923228 /nfs/dbraw/zinc/92/32/28/819923228.db2.gz HXECUKOKSUXOTF-UHFFFAOYSA-N 0 1 286.350 3.101 20 10 CGCDMN CC(C)Oc1cncc(CN2CCc3cccc(O)c3C2)c1 ZINC001238472471 820012650 /nfs/dbraw/zinc/01/26/50/820012650.db2.gz YBBXWODIGAVFCQ-UHFFFAOYSA-N 0 1 298.386 3.133 20 10 CGCDMN Cc1c[nH]c2ncc(-c3nccc4c3ccn4C)cc12 ZINC001240945808 821433687 /nfs/dbraw/zinc/43/36/87/821433687.db2.gz LDKZWXPPBIIVNH-UHFFFAOYSA-N 0 1 262.316 3.425 20 10 CGCDMN Cn1ccc2c1ccnc2-c1ccc(OC(F)F)nc1 ZINC001242417675 822987611 /nfs/dbraw/zinc/98/76/11/822987611.db2.gz LQJDXZRWGPPISI-UHFFFAOYSA-N 0 1 275.258 3.237 20 10 CGCDMN CCCC[N@@H+](Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC001355216863 937130623 /nfs/dbraw/zinc/13/06/23/937130623.db2.gz VWNOKQIXMQAAFT-UHFFFAOYSA-N 0 1 279.380 3.174 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2C[C@@H](C)[C@H](C)C2)c(Cl)c1 ZINC001560687310 937234853 /nfs/dbraw/zinc/23/48/53/937234853.db2.gz JWXYEKQUWOAPCZ-GHMZBOCLSA-N 0 1 253.773 3.442 20 10 CGCDMN COC1CCC([N@@H+](C)Cc2cc(F)c(F)cc2[O-])CC1 ZINC001461958964 937609172 /nfs/dbraw/zinc/60/91/72/937609172.db2.gz DKQOIUMUYNISCD-UHFFFAOYSA-N 0 1 285.334 3.060 20 10 CGCDMN COC[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001462046424 937614467 /nfs/dbraw/zinc/61/44/67/937614467.db2.gz QRAPHGXQZMUKBC-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@@H]1CCCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001462046424 937614469 /nfs/dbraw/zinc/61/44/69/937614469.db2.gz QRAPHGXQZMUKBC-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001462046424 937614471 /nfs/dbraw/zinc/61/44/71/937614471.db2.gz QRAPHGXQZMUKBC-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN C[C@@H](O)[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001462479297 937644354 /nfs/dbraw/zinc/64/43/54/937644354.db2.gz NOSUIAHZXQPMOP-BZNIZROVSA-N 0 1 291.778 3.257 20 10 CGCDMN CN(C)c1ccc(C=CCNc2cccc3[nH]nnc32)cc1 ZINC001308408010 933106790 /nfs/dbraw/zinc/10/67/90/933106790.db2.gz HWVTUYJFGARBNU-PLNGDYQASA-N 0 1 293.374 3.149 20 10 CGCDMN CO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C12CCC2 ZINC001308431683 933110100 /nfs/dbraw/zinc/11/01/00/933110100.db2.gz SNWFINBLOIQELG-HUUCEWRRSA-N 0 1 295.810 3.401 20 10 CGCDMN CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001320072075 933992083 /nfs/dbraw/zinc/99/20/83/933992083.db2.gz QWBCIWJBKWCLON-UONOGXRCSA-N 0 1 282.815 3.008 20 10 CGCDMN Cc1cccnc1CNCc1ccc(N(C)C)cc1C ZINC001325158379 934891455 /nfs/dbraw/zinc/89/14/55/934891455.db2.gz QRRSJJCNDJZJGS-UHFFFAOYSA-N 0 1 269.392 3.054 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1C=CCCC1 ZINC001328197283 935123502 /nfs/dbraw/zinc/12/35/02/935123502.db2.gz LMFVDFZNACYGRR-LBPRGKRZSA-N 0 1 282.181 3.353 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1C=CCCC1 ZINC001328197255 935123666 /nfs/dbraw/zinc/12/36/66/935123666.db2.gz LMFVDFZNACYGRR-GFCCVEGCSA-N 0 1 282.181 3.353 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCC2CCOCC2)cc1Cl ZINC001333887835 936073798 /nfs/dbraw/zinc/07/37/98/936073798.db2.gz HXXVZSPVBKFLFC-UHFFFAOYSA-N 0 1 283.799 3.260 20 10 CGCDMN COC[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)C(C)C ZINC001474279043 937847691 /nfs/dbraw/zinc/84/76/91/937847691.db2.gz FZKPWMOKAYVBCP-LLVKDONJSA-N 0 1 271.788 3.054 20 10 CGCDMN CCCCC[N@H+](CCO)Cc1ccc(Cl)cc1[O-] ZINC001474414084 937858063 /nfs/dbraw/zinc/85/80/63/937858063.db2.gz MTBUTDOKOQHNMW-UHFFFAOYSA-N 0 1 271.788 3.030 20 10 CGCDMN CCCCC[N@@H+](CCO)Cc1ccc(Cl)cc1[O-] ZINC001474414084 937858065 /nfs/dbraw/zinc/85/80/65/937858065.db2.gz MTBUTDOKOQHNMW-UHFFFAOYSA-N 0 1 271.788 3.030 20 10 CGCDMN [O-]c1c(C[N@@H+](CC2CC2)C2CCC2)ccc(F)c1F ZINC001560786470 938275866 /nfs/dbraw/zinc/27/58/66/938275866.db2.gz XXICXXASQULXQN-UHFFFAOYSA-N 0 1 267.319 3.435 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](CCN(C)C)CC(C)C)cc1Cl ZINC001560816630 938277517 /nfs/dbraw/zinc/27/75/17/938277517.db2.gz ZDJKPLYBNXLTMX-UHFFFAOYSA-N 0 1 298.858 3.374 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](CCN(C)C)CC(C)C)cc1Cl ZINC001560816630 938277518 /nfs/dbraw/zinc/27/75/18/938277518.db2.gz ZDJKPLYBNXLTMX-UHFFFAOYSA-N 0 1 298.858 3.374 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001591973584 976578155 /nfs/dbraw/zinc/57/81/55/976578155.db2.gz BRFJSVUYTQIWRW-SWLSCSKDSA-N 0 1 291.391 3.058 20 10 CGCDMN C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cc(Cl)ccc1[O-] ZINC000281274282 296159625 /nfs/dbraw/zinc/15/96/25/296159625.db2.gz XCPPHYNPTQOBRF-MFKMUULPSA-N 0 1 283.799 3.247 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000289531080 371759244 /nfs/dbraw/zinc/75/92/44/371759244.db2.gz PYLNLEWJGQOJKL-CQSZACIVSA-N 0 1 291.782 3.496 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000289531080 371759253 /nfs/dbraw/zinc/75/92/53/371759253.db2.gz PYLNLEWJGQOJKL-CQSZACIVSA-N 0 1 291.782 3.496 20 10 CGCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccco1 ZINC000172112418 372907855 /nfs/dbraw/zinc/90/78/55/372907855.db2.gz IVFQNMPMSBULJA-NSHDSACASA-N 0 1 262.328 3.336 20 10 CGCDMN CCC[N@H+](C)C[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000180524349 374016483 /nfs/dbraw/zinc/01/64/83/374016483.db2.gz VZWWBXLFGBWCDV-CYBMUJFWSA-N 0 1 296.842 3.209 20 10 CGCDMN CCC[N@@H+](C)C[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000180524349 374016486 /nfs/dbraw/zinc/01/64/86/374016486.db2.gz VZWWBXLFGBWCDV-CYBMUJFWSA-N 0 1 296.842 3.209 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000183465500 374418263 /nfs/dbraw/zinc/41/82/63/374418263.db2.gz XJEYDZRSYGKXSM-UHFFFAOYSA-N 0 1 291.778 3.040 20 10 CGCDMN C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000269795160 378267450 /nfs/dbraw/zinc/26/74/50/378267450.db2.gz BFMBOQOFVDHSKY-HIFRSBDPSA-N 0 1 285.387 3.281 20 10 CGCDMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000269795160 378267453 /nfs/dbraw/zinc/26/74/53/378267453.db2.gz BFMBOQOFVDHSKY-HIFRSBDPSA-N 0 1 285.387 3.281 20 10 CGCDMN COc1cccc(CN2CC=C(C(F)(F)F)CC2)c1O ZINC000271182820 378474724 /nfs/dbraw/zinc/47/47/24/378474724.db2.gz ICJTVKANBHWLDA-UHFFFAOYSA-N 0 1 287.281 3.095 20 10 CGCDMN C[N@H+](CCc1ccncc1)Cc1c([O-])cccc1Cl ZINC000273430552 378746479 /nfs/dbraw/zinc/74/64/79/378746479.db2.gz SXGHNBIJXRJMCP-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN C[N@@H+](CCc1ccncc1)Cc1c([O-])cccc1Cl ZINC000273430552 378746490 /nfs/dbraw/zinc/74/64/90/378746490.db2.gz SXGHNBIJXRJMCP-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN CCn1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000273451860 378748349 /nfs/dbraw/zinc/74/83/49/378748349.db2.gz GGGHNVICCKAJLL-SNVBAGLBSA-N 0 1 279.771 3.113 20 10 CGCDMN Cc1noc([C@@H]2CCCN2Cc2cc(C)c(C)cc2O)n1 ZINC000285189193 380144481 /nfs/dbraw/zinc/14/44/81/380144481.db2.gz ROKUEFFMQPKOGL-AWEZNQCLSA-N 0 1 287.363 3.038 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc2ccccc2c1[O-] ZINC000109543534 392366564 /nfs/dbraw/zinc/36/65/64/392366564.db2.gz UHOPRBXSUYQVEZ-GXTWGEPZSA-N 0 1 271.360 3.375 20 10 CGCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000372176459 392591120 /nfs/dbraw/zinc/59/11/20/392591120.db2.gz SESAFGJLLRIVJM-CVEARBPZSA-N 0 1 297.398 3.404 20 10 CGCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000372176459 392591122 /nfs/dbraw/zinc/59/11/22/392591122.db2.gz SESAFGJLLRIVJM-CVEARBPZSA-N 0 1 297.398 3.404 20 10 CGCDMN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185438447 262054484 /nfs/dbraw/zinc/05/44/84/262054484.db2.gz SMLIOXVBRINAKD-BHDSKKPTSA-N 0 1 271.788 3.103 20 10 CGCDMN Cc1c(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cnn1C ZINC000186188181 262312480 /nfs/dbraw/zinc/31/24/80/262312480.db2.gz JEUPZGWMAVWWSS-GFCCVEGCSA-N 0 1 295.386 3.438 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000377195034 268055168 /nfs/dbraw/zinc/05/51/68/268055168.db2.gz CLAZEEINUWFCOZ-MNOVXSKESA-N 0 1 299.773 3.043 20 10 CGCDMN Cc1nn(C)c(C)c1N[C@@H](C)c1ccc(F)c(F)c1O ZINC000276905884 328219954 /nfs/dbraw/zinc/21/99/54/328219954.db2.gz JWQHELMVOPILTC-ZETCQYMHSA-N 0 1 281.306 3.194 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(F)c(F)c1[O-] ZINC000276939656 328220485 /nfs/dbraw/zinc/22/04/85/328220485.db2.gz PITJATPSTCYGOB-PRHODGIISA-N 0 1 293.317 3.122 20 10 CGCDMN CCc1cnc(CNCc2cccc(C)c2O)s1 ZINC000224888151 329245011 /nfs/dbraw/zinc/24/50/11/329245011.db2.gz QSTHWANQAJCTRH-UHFFFAOYSA-N 0 1 262.378 3.009 20 10 CGCDMN C[C@@H]([NH2+]CC12CC(C1)CO2)c1ccc2ccccc2c1[O-] ZINC000527985020 330298613 /nfs/dbraw/zinc/29/86/13/330298613.db2.gz WZNRDFKEWPXHEU-WHENESEISA-N 0 1 283.371 3.375 20 10 CGCDMN C[C@H]([NH2+]CC1CC1)c1ccc(Br)cc1[O-] ZINC000134912302 334108132 /nfs/dbraw/zinc/10/81/32/334108132.db2.gz WWDRUYRBNQUYQZ-QMMMGPOBSA-N 0 1 270.170 3.215 20 10 CGCDMN COc1ccc(O)c(CN[C@@H](C)c2ncc(C)s2)c1 ZINC000135783016 334138805 /nfs/dbraw/zinc/13/88/05/334138805.db2.gz VWVIKHQEKXMQSJ-JTQLQIEISA-N 0 1 278.377 3.017 20 10 CGCDMN CCN(C)c1ccc([C@H](C)NCc2cc(C)no2)cc1 ZINC000125532138 520287144 /nfs/dbraw/zinc/28/71/44/520287144.db2.gz RBILNQVLDJWKJW-ZDUSSCGKSA-N 0 1 273.380 3.290 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCSC1 ZINC000278523585 521690028 /nfs/dbraw/zinc/69/00/28/521690028.db2.gz YNBAHLFBXKXXMX-CYBMUJFWSA-N 0 1 265.422 3.357 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCSC1 ZINC000278523585 521690029 /nfs/dbraw/zinc/69/00/29/521690029.db2.gz YNBAHLFBXKXXMX-CYBMUJFWSA-N 0 1 265.422 3.357 20 10 CGCDMN Cc1cc(C)c([C@H](C)NCc2nnc(C(C)C)[nH]2)c(O)c1 ZINC000296495813 524334333 /nfs/dbraw/zinc/33/43/33/524334333.db2.gz OVHMVYCTIOFQNJ-LBPRGKRZSA-N 0 1 288.395 3.101 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCC1(F)F ZINC000291564674 524629779 /nfs/dbraw/zinc/62/97/79/524629779.db2.gz NIHQPZHRMSTTOP-VIFPVBQESA-N 0 1 259.271 3.008 20 10 CGCDMN C[C@@H]([NH2+]C[C@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000280189802 525502795 /nfs/dbraw/zinc/50/27/95/525502795.db2.gz UVMZRKFGJNJJRH-NXEZZACHSA-N 0 1 271.813 3.449 20 10 CGCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)CC1CCCC1 ZINC000739794102 572424633 /nfs/dbraw/zinc/42/46/33/572424633.db2.gz RJJGZBKSVKUKLO-UHFFFAOYSA-N 0 1 297.782 3.122 20 10 CGCDMN C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1c([O-])cccc1Cl ZINC000733326828 572556510 /nfs/dbraw/zinc/55/65/10/572556510.db2.gz DXBRMPXJCNQXDG-NSHDSACASA-N 0 1 291.778 3.472 20 10 CGCDMN COC(=O)CCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000734852006 572688143 /nfs/dbraw/zinc/68/81/43/572688143.db2.gz IBTFTSQDXZCEMZ-UHFFFAOYSA-N 0 1 291.391 3.090 20 10 CGCDMN COC(=O)CCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000734852006 572688148 /nfs/dbraw/zinc/68/81/48/572688148.db2.gz IBTFTSQDXZCEMZ-UHFFFAOYSA-N 0 1 291.391 3.090 20 10 CGCDMN CO[C@@]1(C)C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1(C)C ZINC000744448317 572753609 /nfs/dbraw/zinc/75/36/09/572753609.db2.gz IBYQQUHVMDVKPH-ZFWWWQNUSA-N 0 1 283.799 3.339 20 10 CGCDMN CC(C)(NCc1c(O)ccc(Cl)c1F)C(F)F ZINC000793253706 629430850 /nfs/dbraw/zinc/43/08/50/629430850.db2.gz FSWHGCYAFGKDHG-UHFFFAOYSA-N 0 1 267.678 3.318 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](CO)C(C)C)c1cc(Cl)ccc1[O-] ZINC000806170241 617802100 /nfs/dbraw/zinc/80/21/00/617802100.db2.gz XWVQCKAGGDOISB-SMDDNHRTSA-N 0 1 285.815 3.351 20 10 CGCDMN Cc1ncsc1CN(C)Cc1cc(Cl)ccc1O ZINC000179427212 618784328 /nfs/dbraw/zinc/78/43/28/618784328.db2.gz RGQQTRWZCLEEDW-UHFFFAOYSA-N 0 1 282.796 3.443 20 10 CGCDMN Cc1ncsc1C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000179427212 618784330 /nfs/dbraw/zinc/78/43/30/618784330.db2.gz RGQQTRWZCLEEDW-UHFFFAOYSA-N 0 1 282.796 3.443 20 10 CGCDMN Cc1ncsc1C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000179427212 618784333 /nfs/dbraw/zinc/78/43/33/618784333.db2.gz RGQQTRWZCLEEDW-UHFFFAOYSA-N 0 1 282.796 3.443 20 10 CGCDMN CC[C@@H](NCc1nccn1CC(C)C)c1ccccc1O ZINC000185212545 619058894 /nfs/dbraw/zinc/05/88/94/619058894.db2.gz YFCFURPOAPIACQ-OAHLLOKOSA-N 0 1 287.407 3.486 20 10 CGCDMN CS[C@@H](C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840905571 619099392 /nfs/dbraw/zinc/09/93/92/619099392.db2.gz AFLYNIDLHUCETO-VIFPVBQESA-N 0 1 259.802 3.195 20 10 CGCDMN C[C@@H]1C[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])[C@@H](C)O1 ZINC000840962740 619282235 /nfs/dbraw/zinc/28/22/35/619282235.db2.gz FABRLUXTQBMDIA-IOASZLSFSA-N 0 1 285.387 3.449 20 10 CGCDMN CCN(Cc1ocnc1C)Cc1ccc(N(C)C)cc1 ZINC000893870466 619325734 /nfs/dbraw/zinc/32/57/34/619325734.db2.gz AEFQSEOSSUDTFN-UHFFFAOYSA-N 0 1 273.380 3.071 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000893948011 619338742 /nfs/dbraw/zinc/33/87/42/619338742.db2.gz PODMFKRUEZLMLL-HNNXBMFYSA-N 0 1 290.313 3.403 20 10 CGCDMN C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894448875 619541365 /nfs/dbraw/zinc/54/13/65/619541365.db2.gz KWYWPHYUQBDSHY-SNVBAGLBSA-N 0 1 278.302 3.258 20 10 CGCDMN CC[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000894790364 619632325 /nfs/dbraw/zinc/63/23/25/619632325.db2.gz RUICIGULFMGIIQ-ZDUSSCGKSA-N 0 1 299.361 3.450 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000895193364 619776264 /nfs/dbraw/zinc/77/62/64/619776264.db2.gz WPDYURPUQMLOLQ-ZANVPECISA-N 0 1 253.292 3.045 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000895457487 619832758 /nfs/dbraw/zinc/83/27/58/619832758.db2.gz NNQDLGNBOCWOMU-PHIMTYICSA-N 0 1 265.303 3.068 20 10 CGCDMN COC[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000895622268 619860564 /nfs/dbraw/zinc/86/05/64/619860564.db2.gz CFKFDJIVILLJBB-JNSHFYNHSA-N 0 1 271.360 3.060 20 10 CGCDMN Cc1ccc(O)c(CN2CCS[C@H](C(F)(F)F)C2)c1 ZINC000896456008 620011826 /nfs/dbraw/zinc/01/18/26/620011826.db2.gz NGWPBIQUQIBVEL-LBPRGKRZSA-N 0 1 291.338 3.180 20 10 CGCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](O)c1ccccc1 ZINC000206876951 620230189 /nfs/dbraw/zinc/23/01/89/620230189.db2.gz OUGKLNCWWAUBJV-BZNIZROVSA-N 0 1 291.778 3.257 20 10 CGCDMN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n[nH]1 ZINC000841752303 620376411 /nfs/dbraw/zinc/37/64/11/620376411.db2.gz SJUMCOKQHAKFRT-MWLCHTKSSA-N 0 1 293.798 3.359 20 10 CGCDMN CN(C)CC(C)(C)C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000898307830 620509654 /nfs/dbraw/zinc/50/96/54/620509654.db2.gz IALWYXGPCZJUON-UHFFFAOYSA-N 0 1 284.831 3.065 20 10 CGCDMN CN(C)CC(C)(C)C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000898307830 620509657 /nfs/dbraw/zinc/50/96/57/620509657.db2.gz IALWYXGPCZJUON-UHFFFAOYSA-N 0 1 284.831 3.065 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000903300476 621667614 /nfs/dbraw/zinc/66/76/14/621667614.db2.gz IPSZBUVOLWGNAX-DDTOSNHZSA-N 0 1 282.815 3.179 20 10 CGCDMN C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000903435283 621745441 /nfs/dbraw/zinc/74/54/41/621745441.db2.gz CCUFLIDGWQLLIR-QCZZGDTMSA-N 0 1 281.783 3.121 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCC(F)(F)F ZINC000063098667 623296226 /nfs/dbraw/zinc/29/62/26/623296226.db2.gz AGDOMFVUUNQTAZ-UHFFFAOYSA-N 0 1 253.651 3.088 20 10 CGCDMN C[C@H](NCc1nccn1C)c1ccc2ccccc2c1O ZINC000071273018 625069650 /nfs/dbraw/zinc/06/96/50/625069650.db2.gz NPEILIMCQAQFHJ-LBPRGKRZSA-N 0 1 281.359 3.130 20 10 CGCDMN Cc1ccoc1CNCc1ccc2c(c1)CCCO2 ZINC000922142546 625972200 /nfs/dbraw/zinc/97/22/00/625972200.db2.gz COCGXKXOGYIRHK-UHFFFAOYSA-N 0 1 257.333 3.203 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922731117 626040414 /nfs/dbraw/zinc/04/04/14/626040414.db2.gz LMZUXCUJSHBOJY-IONNQARKSA-N 0 1 279.689 3.334 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCS1 ZINC000922843335 626056034 /nfs/dbraw/zinc/05/60/34/626056034.db2.gz QASBUCHZGWTIBR-BXKDBHETSA-N 0 1 271.813 3.419 20 10 CGCDMN CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cnn(C)c1 ZINC000922893887 626091081 /nfs/dbraw/zinc/09/10/81/626091081.db2.gz JMGIELUQQZGYIR-OAHLLOKOSA-N 0 1 293.798 3.266 20 10 CGCDMN CCc1onc(C)c1C[NH2+]Cc1c([O-])cccc1Cl ZINC000922984281 626113463 /nfs/dbraw/zinc/11/34/63/626113463.db2.gz XXFIRUZJZGPRMV-UHFFFAOYSA-N 0 1 280.755 3.194 20 10 CGCDMN CCc1onc(C)c1CNCc1c(O)cccc1Cl ZINC000922984281 626113465 /nfs/dbraw/zinc/11/34/65/626113465.db2.gz XXFIRUZJZGPRMV-UHFFFAOYSA-N 0 1 280.755 3.194 20 10 CGCDMN C[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000756417109 626704049 /nfs/dbraw/zinc/70/40/49/626704049.db2.gz PKFDJNFKTNLUFP-QWHCGFSZSA-N 0 1 296.842 3.428 20 10 CGCDMN CCOc1ccc(C[N@H+](CC)CC(C)C)c([O-])c1 ZINC000768334330 627473367 /nfs/dbraw/zinc/47/33/67/627473367.db2.gz FLWFWZBYDNURSX-UHFFFAOYSA-N 0 1 251.370 3.269 20 10 CGCDMN CCOc1ccc(C[N@@H+](CC)CC(C)C)c([O-])c1 ZINC000768334330 627473372 /nfs/dbraw/zinc/47/33/72/627473372.db2.gz FLWFWZBYDNURSX-UHFFFAOYSA-N 0 1 251.370 3.269 20 10 CGCDMN C[N@H+](Cc1ccc[nH]1)Cc1cc(Cl)ccc1[O-] ZINC000769541506 627564467 /nfs/dbraw/zinc/56/44/67/627564467.db2.gz CEINWBIKEUMUNR-UHFFFAOYSA-N 0 1 250.729 3.006 20 10 CGCDMN C[N@@H+](Cc1ccc[nH]1)Cc1cc(Cl)ccc1[O-] ZINC000769541506 627564468 /nfs/dbraw/zinc/56/44/68/627564468.db2.gz CEINWBIKEUMUNR-UHFFFAOYSA-N 0 1 250.729 3.006 20 10 CGCDMN CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000770304244 627612760 /nfs/dbraw/zinc/61/27/60/627612760.db2.gz LBYFRZOAWNAJBY-VIFPVBQESA-N 0 1 284.743 3.186 20 10 CGCDMN CCC1(O)CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000771875316 627738844 /nfs/dbraw/zinc/73/88/44/627738844.db2.gz QTWFDEUKBONVHK-UHFFFAOYSA-N 0 1 283.799 3.219 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](C)COC)c1cc(Cl)ccc1[O-] ZINC000775487713 628099750 /nfs/dbraw/zinc/09/97/50/628099750.db2.gz CTYMWSYHEPODLV-GXFFZTMASA-N 0 1 271.788 3.369 20 10 CGCDMN CC[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775503593 628102017 /nfs/dbraw/zinc/10/20/17/628102017.db2.gz KEYZJDCZOZXPRB-HIFRSBDPSA-N 0 1 283.799 3.247 20 10 CGCDMN CC[C@H]([NH2+][C@H](CCO)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775526878 628104269 /nfs/dbraw/zinc/10/42/69/628104269.db2.gz MUCFXNAWTRVERD-UONOGXRCSA-N 0 1 283.799 3.247 20 10 CGCDMN CC[C@@H]([NH2+]CCC[C@H](C)CO)c1cc(Cl)ccc1[O-] ZINC000775527378 628104318 /nfs/dbraw/zinc/10/43/18/628104318.db2.gz WOOOIYIKSMYDKQ-SMDDNHRTSA-N 0 1 285.815 3.495 20 10 CGCDMN C/C=C/C[C@H](CO)[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775554388 628105712 /nfs/dbraw/zinc/10/57/12/628105712.db2.gz ITWUBEUQCKIVLM-ZPSXMKBBSA-N 0 1 283.799 3.413 20 10 CGCDMN C[C@H]1N(Cc2cc(Cl)cc(F)c2O)CCOC1(C)C ZINC000775708636 628128356 /nfs/dbraw/zinc/12/83/56/628128356.db2.gz NRPUWBRMLRNONQ-SECBINFHSA-N 0 1 287.762 3.184 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777440154 628271123 /nfs/dbraw/zinc/27/11/23/628271123.db2.gz VPSNNQVXDANZBS-OAHLLOKOSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777440154 628271127 /nfs/dbraw/zinc/27/11/27/628271127.db2.gz VPSNNQVXDANZBS-OAHLLOKOSA-N 0 1 295.810 3.437 20 10 CGCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCC[C@@H]1O ZINC000779152510 628390746 /nfs/dbraw/zinc/39/07/46/628390746.db2.gz BBSJGTUWQZBJJG-RISCZKNCSA-N 0 1 283.799 3.029 20 10 CGCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCC[C@@H]1O ZINC000779152510 628390749 /nfs/dbraw/zinc/39/07/49/628390749.db2.gz BBSJGTUWQZBJJG-RISCZKNCSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C[C@H]1F ZINC000779151360 628391084 /nfs/dbraw/zinc/39/10/84/628391084.db2.gz XJIVCCHYTSXYTQ-PRHODGIISA-N 0 1 275.726 3.365 20 10 CGCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCC[C@H]1O ZINC000779152506 628391199 /nfs/dbraw/zinc/39/11/99/628391199.db2.gz BBSJGTUWQZBJJG-BXUZGUMPSA-N 0 1 283.799 3.029 20 10 CGCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCC[C@H]1O ZINC000779152506 628391200 /nfs/dbraw/zinc/39/12/00/628391200.db2.gz BBSJGTUWQZBJJG-BXUZGUMPSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H](C)[C@@H](C)O1 ZINC000783738355 628744652 /nfs/dbraw/zinc/74/46/52/628744652.db2.gz SAAOBFOCYCNELD-GMTAPVOTSA-N 0 1 269.772 3.043 20 10 CGCDMN CC(C)([NH2+]Cc1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000785611525 628874106 /nfs/dbraw/zinc/87/41/06/628874106.db2.gz QXTQOKGNPHSJJI-UHFFFAOYSA-N 0 1 283.799 3.340 20 10 CGCDMN C[C@](O)(C[NH2+]Cc1c([O-])cccc1Cl)C1CCCCC1 ZINC000790995177 629247743 /nfs/dbraw/zinc/24/77/43/629247743.db2.gz AHKHQNKUJZOPPJ-INIZCTEOSA-N 0 1 297.826 3.467 20 10 CGCDMN Cc1c(F)nccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000862210561 629322898 /nfs/dbraw/zinc/32/28/98/629322898.db2.gz PCNQXUZXLWEZRA-UHFFFAOYSA-N 0 1 287.382 3.227 20 10 CGCDMN CO[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862353847 629347474 /nfs/dbraw/zinc/34/74/74/629347474.db2.gz CAGIPUNHJGFAST-AAEUAGOBSA-N 0 1 298.377 3.030 20 10 CGCDMN Cc1nccc(NCc2c(O)cccc2Cl)c1Cl ZINC000792688554 629375184 /nfs/dbraw/zinc/37/51/84/629375184.db2.gz HCORXGDOXWCHHP-UHFFFAOYSA-N 0 1 283.158 3.436 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000793620063 629491076 /nfs/dbraw/zinc/49/10/76/629491076.db2.gz KHLKBZMLZMFNFV-OAHLLOKOSA-N 0 1 281.783 3.048 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000793620063 629491077 /nfs/dbraw/zinc/49/10/77/629491077.db2.gz KHLKBZMLZMFNFV-OAHLLOKOSA-N 0 1 281.783 3.048 20 10 CGCDMN CO[C@H]1CC[C@H](C)N(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000864054542 629749644 /nfs/dbraw/zinc/74/96/44/629749644.db2.gz URRKRUCOJSNPLX-AAEUAGOBSA-N 0 1 298.377 3.030 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000809746977 630797764 /nfs/dbraw/zinc/79/77/64/630797764.db2.gz FNGFMRKGBDXGQS-MRXNPFEDSA-N 0 1 291.778 3.259 20 10 CGCDMN CCCC[N@H+](CCCO)Cc1c([O-])cccc1Cl ZINC000809752613 630800824 /nfs/dbraw/zinc/80/08/24/630800824.db2.gz TXKFODZABYCILE-UHFFFAOYSA-N 0 1 271.788 3.030 20 10 CGCDMN CCCC[N@@H+](CCCO)Cc1c([O-])cccc1Cl ZINC000809752613 630800826 /nfs/dbraw/zinc/80/08/26/630800826.db2.gz TXKFODZABYCILE-UHFFFAOYSA-N 0 1 271.788 3.030 20 10 CGCDMN CC[C@@H]([NH2+][C@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227975 630856771 /nfs/dbraw/zinc/85/67/71/630856771.db2.gz OILGDBNMMWRMFF-CMPLNLGQSA-N 0 1 289.297 3.241 20 10 CGCDMN CC1(C)[C@H](O)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000812779562 631306544 /nfs/dbraw/zinc/30/65/44/631306544.db2.gz RNBURDNDWICZOI-LLVKDONJSA-N 0 1 290.190 3.044 20 10 CGCDMN O=C(/C=C\C1CC1)NCc1cc(Cl)cc(Cl)c1O ZINC000813683894 631452271 /nfs/dbraw/zinc/45/22/71/631452271.db2.gz GRWXLSYJUOWFTJ-ARJAWSKDSA-N 0 1 286.158 3.281 20 10 CGCDMN CCOc1ccc(N(C)Cc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000814623698 631613219 /nfs/dbraw/zinc/61/32/19/631613219.db2.gz ARVVSDGLZRPHTR-UHFFFAOYSA-N 0 1 288.395 3.137 20 10 CGCDMN Cc1ccc(O)c(CNc2cc3c(cn2)CCC3)c1 ZINC000815159251 631732398 /nfs/dbraw/zinc/73/23/98/631732398.db2.gz OIHFUFIOZIWSFU-UHFFFAOYSA-N 0 1 254.333 3.196 20 10 CGCDMN CC[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@H](C)O1 ZINC000816496233 631994237 /nfs/dbraw/zinc/99/42/37/631994237.db2.gz BFOFSBQUCNRPER-GXSJLCMTSA-N 0 1 287.762 3.184 20 10 CGCDMN CCCN(Cc1cnn(C)c1Cl)Cc1ccccc1O ZINC000816499253 631994510 /nfs/dbraw/zinc/99/45/10/631994510.db2.gz JTOJTYQZXBQEIV-UHFFFAOYSA-N 0 1 293.798 3.191 20 10 CGCDMN CC1(C)CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816509022 631998294 /nfs/dbraw/zinc/99/82/94/631998294.db2.gz BNMHMTAQFXXHHD-UHFFFAOYSA-N 0 1 257.736 3.417 20 10 CGCDMN COC(C)(C)C[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816520214 632002002 /nfs/dbraw/zinc/00/20/02/632002002.db2.gz IPCJKNIRSSRFNZ-UHFFFAOYSA-N 0 1 275.751 3.042 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H]2CCSC2)ccc2ccccc21 ZINC000816555204 632012076 /nfs/dbraw/zinc/01/20/76/632012076.db2.gz XBIBFUIICHZSKG-CYBMUJFWSA-N 0 1 259.374 3.141 20 10 CGCDMN C[C@H]1C[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816560739 632013022 /nfs/dbraw/zinc/01/30/22/632013022.db2.gz YSLOARXUCXOGRI-KBPBESRZSA-N 0 1 285.387 3.450 20 10 CGCDMN [O-]c1c(C[NH2+]CCCC2(O)CCC2)ccc2ccccc21 ZINC000817414020 632143611 /nfs/dbraw/zinc/14/36/11/632143611.db2.gz DLVXUVKDFCFBJW-UHFFFAOYSA-N 0 1 285.387 3.330 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865784593 632889797 /nfs/dbraw/zinc/88/97/97/632889797.db2.gz FWFCUFVQDSIHFE-STQMWFEESA-N 0 1 295.810 3.198 20 10 CGCDMN COc1ccc(O)c(CN[C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000822497827 632949007 /nfs/dbraw/zinc/94/90/07/632949007.db2.gz MCHHHNFRGWZJKQ-SJORKVTESA-N 0 1 287.334 3.128 20 10 CGCDMN [O-]c1c(C[NH2+][C@H]2CC[C@@H](CO)CC2)ccc2ccccc21 ZINC000824006495 633180225 /nfs/dbraw/zinc/18/02/25/633180225.db2.gz GAPRELCMOJEBHT-AKAXFMLLSA-N 0 1 285.387 3.186 20 10 CGCDMN CCCc1ncc(CNCc2ccc(OCC)cc2O)o1 ZINC000825085108 633326923 /nfs/dbraw/zinc/32/69/23/633326923.db2.gz JDYLVOJIKAZBNZ-UHFFFAOYSA-N 0 1 290.363 3.021 20 10 CGCDMN CC1(C)C[C@@H](O)CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000825091410 633327551 /nfs/dbraw/zinc/32/75/51/633327551.db2.gz ZKJXLCZSIOGOTP-ZDUSSCGKSA-N 0 1 283.799 3.029 20 10 CGCDMN CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000825091410 633327556 /nfs/dbraw/zinc/32/75/56/633327556.db2.gz ZKJXLCZSIOGOTP-ZDUSSCGKSA-N 0 1 283.799 3.029 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCCO2)cc1Cl ZINC000825097387 633327852 /nfs/dbraw/zinc/32/78/52/633327852.db2.gz SGOFVNANCNAOIY-GFCCVEGCSA-N 0 1 269.772 3.013 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215273 633336370 /nfs/dbraw/zinc/33/63/70/633336370.db2.gz KRNYQXILWWMEDA-HNNXBMFYSA-N 0 1 281.396 3.250 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2(C)CCOCC2)cc1Cl ZINC000825370677 633350273 /nfs/dbraw/zinc/35/02/73/633350273.db2.gz OXWBWZSHLXTZSD-UHFFFAOYSA-N 0 1 269.772 3.013 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](C)C2)cc1Cl ZINC000825380279 633350986 /nfs/dbraw/zinc/35/09/86/633350986.db2.gz ZRROKCWPSWAINR-ZYHUDNBSSA-N 0 1 269.772 3.011 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@]2(C)CCO[C@@H]2C)cc1Cl ZINC000825494400 633357711 /nfs/dbraw/zinc/35/77/11/633357711.db2.gz KZGYYBYKCJZOMT-YGRLFVJLSA-N 0 1 269.772 3.011 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2(CCO)CCCC2)cc1Cl ZINC000825883600 633385831 /nfs/dbraw/zinc/38/58/31/633385831.db2.gz YMTGHCWSUZYCSH-UHFFFAOYSA-N 0 1 283.799 3.139 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2COC3(CCC3)C2)cc1Cl ZINC000827125052 633461458 /nfs/dbraw/zinc/46/14/58/633461458.db2.gz HAKDNTOIWAFWTG-LBPRGKRZSA-N 0 1 281.783 3.155 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@](O)(C3CC3)C2)cc1Cl ZINC000827152624 633464829 /nfs/dbraw/zinc/46/48/29/633464829.db2.gz UDIRZSGOSJWBTQ-MRXNPFEDSA-N 0 1 295.810 3.091 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)cc1Cl ZINC000827152624 633464836 /nfs/dbraw/zinc/46/48/36/633464836.db2.gz UDIRZSGOSJWBTQ-MRXNPFEDSA-N 0 1 295.810 3.091 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@](O)(C3CC3)C2)cc1Cl ZINC000827152624 633464840 /nfs/dbraw/zinc/46/48/40/633464840.db2.gz UDIRZSGOSJWBTQ-MRXNPFEDSA-N 0 1 295.810 3.091 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)cc1Cl ZINC000827252045 633474969 /nfs/dbraw/zinc/47/49/69/633474969.db2.gz URKULTGOJJRORC-YPMHNXCESA-N 0 1 283.799 3.401 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)ccc2ccccc21 ZINC000827481504 633493692 /nfs/dbraw/zinc/49/36/92/633493692.db2.gz OPJVTZCBKMMCBJ-MUJYYYPQSA-N 0 1 253.345 3.434 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1[O-] ZINC000123407795 633672179 /nfs/dbraw/zinc/67/21/79/633672179.db2.gz HUTDJKOSUKUDFZ-AOOOYVTPSA-N 0 1 265.328 3.107 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)CC[C@@H]2C)c1[O-] ZINC000123407795 633672181 /nfs/dbraw/zinc/67/21/81/633672181.db2.gz HUTDJKOSUKUDFZ-AOOOYVTPSA-N 0 1 265.328 3.107 20 10 CGCDMN C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccsc1 ZINC000124138508 634167501 /nfs/dbraw/zinc/16/75/01/634167501.db2.gz YSYWTEHPKJXTEH-AWEZNQCLSA-N 0 1 297.807 3.104 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873157503 634265380 /nfs/dbraw/zinc/26/53/80/634265380.db2.gz ZXYHFMDTUUZVJG-VZJVUDMVSA-N 0 1 281.783 3.093 20 10 CGCDMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1ccc(C)cc1O ZINC000834896108 634272875 /nfs/dbraw/zinc/27/28/75/634272875.db2.gz UQCLXWGABYYASF-QWHCGFSZSA-N 0 1 273.380 3.329 20 10 CGCDMN Cc1nccnc1[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000873187226 634276776 /nfs/dbraw/zinc/27/67/76/634276776.db2.gz OFCPFHMQUIFTBO-GJBLVYBDSA-N 0 1 296.418 3.215 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000834906414 634281989 /nfs/dbraw/zinc/28/19/89/634281989.db2.gz QGWDVXMBGXEYHV-LEWSCRJBSA-N 0 1 283.799 3.247 20 10 CGCDMN C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000834912930 634285473 /nfs/dbraw/zinc/28/54/73/634285473.db2.gz YGXJLWDCOCJYNC-NEPJUHHUSA-N 0 1 281.371 3.387 20 10 CGCDMN CC[N@@H+](CCc1ccccn1)Cc1ccc(F)c(F)c1[O-] ZINC000876635033 634872310 /nfs/dbraw/zinc/87/23/10/634872310.db2.gz KBZIKOAFJWIKMA-UHFFFAOYSA-N 0 1 292.329 3.130 20 10 CGCDMN C[C@@H]([N@@H+](C)Cc1ccc(F)c(F)c1[O-])C1(C)CC1 ZINC000876805914 634902308 /nfs/dbraw/zinc/90/23/08/634902308.db2.gz IGZYROLCYLNXGR-SECBINFHSA-N 0 1 255.308 3.291 20 10 CGCDMN Cc1nc(CNCc2ccc(C)cc2O)sc1C ZINC000877065141 634968878 /nfs/dbraw/zinc/96/88/78/634968878.db2.gz ZHELQEWTKYBVNF-UHFFFAOYSA-N 0 1 262.378 3.064 20 10 CGCDMN C[C@H](C1CC1)n1cc(NCc2ccc(F)c(F)c2O)cn1 ZINC000877426705 635039122 /nfs/dbraw/zinc/03/91/22/635039122.db2.gz QFAAWIQOGDMEGU-SECBINFHSA-N 0 1 293.317 3.450 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@H]2c2cccnc2)ccc(F)c1F ZINC000877524387 635072208 /nfs/dbraw/zinc/07/22/08/635072208.db2.gz WJJUFZNRWAAWDQ-CQSZACIVSA-N 0 1 290.313 3.403 20 10 CGCDMN CCc1ncc(CNCc2ccc(N(CC)CC)cc2)cn1 ZINC000840879020 635072585 /nfs/dbraw/zinc/07/25/85/635072585.db2.gz BHRWTKBMVJWSCW-UHFFFAOYSA-N 0 1 298.434 3.175 20 10 CGCDMN C[C@@H](Cc1ccsc1)[N@H+]1Cc2cccc(O)c2C1 ZINC000877702556 635154246 /nfs/dbraw/zinc/15/42/46/635154246.db2.gz BHSWDWISSDQUFS-NSHDSACASA-N 0 1 259.374 3.401 20 10 CGCDMN CCc1cccc(C[N@H+]2Cc3cccc(O)c3C2)c1O ZINC000877702996 635154446 /nfs/dbraw/zinc/15/44/46/635154446.db2.gz NUIMOGFAKOKTMU-UHFFFAOYSA-N 0 1 269.344 3.176 20 10 CGCDMN COc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])ccn1 ZINC000841746155 635221560 /nfs/dbraw/zinc/22/15/60/635221560.db2.gz VRYNVOJVLNXQFC-SNVBAGLBSA-N 0 1 292.766 3.300 20 10 CGCDMN CCN(CC)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841745317 635222287 /nfs/dbraw/zinc/22/22/87/635222287.db2.gz XMLWFBBVTFCPQR-NSHDSACASA-N 0 1 270.804 3.038 20 10 CGCDMN C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841752256 635225451 /nfs/dbraw/zinc/22/54/51/635225451.db2.gz RUYBNEQPWKMEON-JQWIXIFHSA-N 0 1 285.815 3.493 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2ccc(Cl)nc2)cc1 ZINC000126950798 635393676 /nfs/dbraw/zinc/39/36/76/635393676.db2.gz DVZWCMLEXKNRCX-UHFFFAOYSA-N 0 1 289.810 3.433 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCOC[C@H]1C1CCC1 ZINC000843428275 635673622 /nfs/dbraw/zinc/67/36/22/635673622.db2.gz FOBKKXMHPBXZRB-AWEZNQCLSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000846054800 636138975 /nfs/dbraw/zinc/13/89/75/636138975.db2.gz GHUSBGAAGDTARP-UHFFFAOYSA-N 0 1 289.766 3.003 20 10 CGCDMN CCCC[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000132426345 636808122 /nfs/dbraw/zinc/80/81/22/636808122.db2.gz GRYBPNJJKPDFCO-UHFFFAOYSA-N 0 1 272.186 3.387 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2COC3(CCC3)C2)c(Cl)c1 ZINC000850369664 637032241 /nfs/dbraw/zinc/03/22/41/637032241.db2.gz ILTUXHYPIHSIAU-NSHDSACASA-N 0 1 281.783 3.155 20 10 CGCDMN CSCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134907671 637049630 /nfs/dbraw/zinc/04/96/30/637049630.db2.gz AOPLELIJBVAWRB-QMMMGPOBSA-N 0 1 290.226 3.168 20 10 CGCDMN C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(Cl)cc1[O-] ZINC000850524415 637103162 /nfs/dbraw/zinc/10/31/62/637103162.db2.gz YDXFQCRRKFKGTM-JQWIXIFHSA-N 0 1 281.783 3.408 20 10 CGCDMN CN(Cc1nc2ccccc2o1)Cc1ccccc1O ZINC000109770092 637267642 /nfs/dbraw/zinc/26/76/42/637267642.db2.gz KUSZOSRSTLNOFO-UHFFFAOYSA-N 0 1 268.316 3.165 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](CCF)C2)c1[O-] ZINC000852533141 637674929 /nfs/dbraw/zinc/67/49/29/637674929.db2.gz PIAHODBBPVDMNH-LBPRGKRZSA-N 0 1 297.345 3.306 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](CCF)C2)c1[O-] ZINC000852533141 637674960 /nfs/dbraw/zinc/67/49/60/637674960.db2.gz PIAHODBBPVDMNH-LBPRGKRZSA-N 0 1 297.345 3.306 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH+]1CC(CC2CC2)C1 ZINC000857066787 638449007 /nfs/dbraw/zinc/44/90/07/638449007.db2.gz VVDNUSFWWQYKRE-UHFFFAOYSA-N 0 1 296.208 3.387 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c(Cl)c1 ZINC000858298617 638675616 /nfs/dbraw/zinc/67/56/16/638675616.db2.gz MSHDGUTYEPWGAE-NHYWBVRUSA-N 0 1 281.783 3.011 20 10 CGCDMN CC1(C)CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])O1 ZINC000189735172 640205632 /nfs/dbraw/zinc/20/56/32/640205632.db2.gz YQMFTCWFKHYGMM-LBPRGKRZSA-N 0 1 269.772 3.093 20 10 CGCDMN CCN1CCCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000113341027 640976330 /nfs/dbraw/zinc/97/63/30/640976330.db2.gz KQFHMXNSCDFJHS-LBPRGKRZSA-N 0 1 282.815 3.010 20 10 CGCDMN CCOc1ccnc(N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001156924281 805752652 /nfs/dbraw/zinc/75/26/52/805752652.db2.gz VQJKTNYTEYJALR-UHFFFAOYSA-N 0 1 285.391 3.183 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)C(C)C)c1[O-] ZINC000037328736 798866284 /nfs/dbraw/zinc/86/62/84/798866284.db2.gz ZXSGDBIVDCJGSR-SNVBAGLBSA-N 0 1 267.344 3.210 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000314594790 799234348 /nfs/dbraw/zinc/23/43/48/799234348.db2.gz CBUHYUXOJBHHIQ-HIFRSBDPSA-N 0 1 296.414 3.433 20 10 CGCDMN C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc2ccccc2c1[O-] ZINC000316723683 799242376 /nfs/dbraw/zinc/24/23/76/799242376.db2.gz IHIIRDCSGQPLMW-YVEFUNNKSA-N 0 1 285.387 3.357 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@H]2C)c1[O-] ZINC000380690383 799365501 /nfs/dbraw/zinc/36/55/01/799365501.db2.gz BREIUXNSBRKLSI-VHSXEESVSA-N 0 1 281.783 3.479 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H]2C)c1[O-] ZINC000380690383 799365505 /nfs/dbraw/zinc/36/55/05/799365505.db2.gz BREIUXNSBRKLSI-VHSXEESVSA-N 0 1 281.783 3.479 20 10 CGCDMN CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000384314621 799415932 /nfs/dbraw/zinc/41/59/32/799415932.db2.gz RVNPQZGFRNDZOB-BONVTDFDSA-N 0 1 279.355 3.354 20 10 CGCDMN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000384314621 799415938 /nfs/dbraw/zinc/41/59/38/799415938.db2.gz RVNPQZGFRNDZOB-BONVTDFDSA-N 0 1 279.355 3.354 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC12CCCC2 ZINC000395631278 799505659 /nfs/dbraw/zinc/50/56/59/799505659.db2.gz CNJUIIDYNSKMRK-CYBMUJFWSA-N 0 1 251.757 3.468 20 10 CGCDMN C[C@]1(C[NH2+]Cc2c([O-])cccc2Cl)CC1(F)F ZINC000689200824 799761656 /nfs/dbraw/zinc/76/16/56/799761656.db2.gz DPPXABVHZPLXPY-LLVKDONJSA-N 0 1 261.699 3.181 20 10 CGCDMN CCc1cccc(CNCc2ncc(C)s2)c1O ZINC000691491485 799785455 /nfs/dbraw/zinc/78/54/55/799785455.db2.gz CQQIXZYEPUVHRD-UHFFFAOYSA-N 0 1 262.378 3.009 20 10 CGCDMN Oc1c(CNc2cccc(F)c2)ccc(F)c1F ZINC000700721050 799877215 /nfs/dbraw/zinc/87/72/15/799877215.db2.gz LYIBCQVEQSYDBK-UHFFFAOYSA-N 0 1 253.223 3.422 20 10 CGCDMN CC1([NH2+]Cc2cc(Br)ccc2[O-])CC=CC1 ZINC000702141149 799904062 /nfs/dbraw/zinc/90/40/62/799904062.db2.gz LKCWTRQAAPKNQP-UHFFFAOYSA-N 0 1 282.181 3.353 20 10 CGCDMN Oc1c(CNc2ccc3c(c2)OCO3)ccc(F)c1F ZINC000703259251 799922106 /nfs/dbraw/zinc/92/21/06/799922106.db2.gz UVLCYLCFGWDJAA-UHFFFAOYSA-N 0 1 279.242 3.011 20 10 CGCDMN CC(=O)c1cc(F)cc(CN2C[C@@H]3CCCC[C@@H]32)c1O ZINC000706825991 799967433 /nfs/dbraw/zinc/96/74/33/799967433.db2.gz KGWUGTCQUKXTCA-NHYWBVRUSA-N 0 1 277.339 3.108 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000706825991 799967440 /nfs/dbraw/zinc/96/74/40/799967440.db2.gz KGWUGTCQUKXTCA-NHYWBVRUSA-N 0 1 277.339 3.108 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000706825991 799967442 /nfs/dbraw/zinc/96/74/42/799967442.db2.gz KGWUGTCQUKXTCA-NHYWBVRUSA-N 0 1 277.339 3.108 20 10 CGCDMN Cc1ccoc1CNCc1c(O)cccc1Br ZINC000706809113 799967623 /nfs/dbraw/zinc/96/76/23/799967623.db2.gz MKJIZWWKRXHOIU-UHFFFAOYSA-N 0 1 296.164 3.346 20 10 CGCDMN CC(C)(C)C[NH2+]Cc1c([O-])cccc1Br ZINC000706842398 799968044 /nfs/dbraw/zinc/96/80/44/799968044.db2.gz GPPDGZMBGDEIQN-UHFFFAOYSA-N 0 1 272.186 3.290 20 10 CGCDMN CCC1([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000706863512 799968591 /nfs/dbraw/zinc/96/85/91/799968591.db2.gz JWIZCZKOSFQTNN-UHFFFAOYSA-N 0 1 270.170 3.187 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000706881420 799968704 /nfs/dbraw/zinc/96/87/04/799968704.db2.gz RZRKMOOWCHCXSK-ILWJIGKKSA-N 0 1 282.181 3.043 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+]CC1=CCCC1 ZINC000706863306 799969532 /nfs/dbraw/zinc/96/95/32/799969532.db2.gz CLKVNWGNWWUJLF-UHFFFAOYSA-N 0 1 282.181 3.355 20 10 CGCDMN CO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C12CCC2 ZINC000713470887 800109593 /nfs/dbraw/zinc/10/95/93/800109593.db2.gz JJQLXCPYJPPDKU-UONOGXRCSA-N 0 1 281.783 3.093 20 10 CGCDMN Clc1ncc(CNCc2ccc3c(c2)CCO3)s1 ZINC000718142443 800212947 /nfs/dbraw/zinc/21/29/47/800212947.db2.gz ARGDYMCLGWPMQB-UHFFFAOYSA-N 0 1 280.780 3.021 20 10 CGCDMN C[C@H]([NH2+]CC[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000757658675 800380978 /nfs/dbraw/zinc/38/09/78/800380978.db2.gz SLJSMBLFMDQATG-QWRGUYRKSA-N 0 1 269.772 3.123 20 10 CGCDMN COC(=O)CC(C)(C)[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC001118573006 802586386 /nfs/dbraw/zinc/58/63/86/802586386.db2.gz RSLXOZIPCKVNRL-UHFFFAOYSA-N 0 1 299.798 3.128 20 10 CGCDMN COC(=O)CC(C)(C)[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001118573006 802586391 /nfs/dbraw/zinc/58/63/91/802586391.db2.gz RSLXOZIPCKVNRL-UHFFFAOYSA-N 0 1 299.798 3.128 20 10 CGCDMN COC(=O)CC(C)(C)[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001118573006 802586395 /nfs/dbraw/zinc/58/63/95/802586395.db2.gz RSLXOZIPCKVNRL-UHFFFAOYSA-N 0 1 299.798 3.128 20 10 CGCDMN COC(=O)CC[N@@H+](Cc1ccc(Cl)cc1[O-])CC(C)C ZINC001180275091 809987950 /nfs/dbraw/zinc/98/79/50/809987950.db2.gz GIJNDSNAUCPECF-UHFFFAOYSA-N 0 1 299.798 3.067 20 10 CGCDMN COC(=O)CC[N@H+](Cc1ccc(Cl)cc1[O-])CC(C)C ZINC001180275091 809987954 /nfs/dbraw/zinc/98/79/54/809987954.db2.gz GIJNDSNAUCPECF-UHFFFAOYSA-N 0 1 299.798 3.067 20 10 CGCDMN COc1cccc(F)c1CN[C@@H]1CCc2cccc(O)c21 ZINC001120261209 802737531 /nfs/dbraw/zinc/73/75/31/802737531.db2.gz ZYXMAZKYHCTNKU-CQSZACIVSA-N 0 1 287.334 3.317 20 10 CGCDMN CCOc1cccc(CN2CCc3ncc(C)cc3C2)c1O ZINC001203614915 812406773 /nfs/dbraw/zinc/40/67/73/812406773.db2.gz GMXBBQDDHURLCQ-UHFFFAOYSA-N 0 1 298.386 3.053 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001139680719 804250838 /nfs/dbraw/zinc/25/08/38/804250838.db2.gz AKRCCUYCDSDUAW-DTORHVGOSA-N 0 1 289.272 3.148 20 10 CGCDMN Oc1ccc(F)cc1CN1CCOC[C@H]1C1CCCCC1 ZINC001140060503 804365193 /nfs/dbraw/zinc/36/51/93/804365193.db2.gz ZAMWUFNJUQQCOI-INIZCTEOSA-N 0 1 293.382 3.312 20 10 CGCDMN COCC[C@@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC001140344732 804419713 /nfs/dbraw/zinc/41/97/13/804419713.db2.gz KWESVPBSISAMRE-LBPRGKRZSA-N 0 1 283.799 3.437 20 10 CGCDMN COCC[C@@H]1CCCC[N@H+]1Cc1c([O-])cccc1Cl ZINC001140344732 804419716 /nfs/dbraw/zinc/41/97/16/804419716.db2.gz KWESVPBSISAMRE-LBPRGKRZSA-N 0 1 283.799 3.437 20 10 CGCDMN C[N@@H+](Cc1cccnc1)Cc1ccc(Cl)cc1O ZINC001140461749 804440787 /nfs/dbraw/zinc/44/07/87/804440787.db2.gz STYVWHOYYNXSDQ-UHFFFAOYSA-N 0 1 262.740 3.073 20 10 CGCDMN C[N@H+](Cc1cccnc1)Cc1ccc(Cl)cc1[O-] ZINC001140461749 804440790 /nfs/dbraw/zinc/44/07/90/804440790.db2.gz STYVWHOYYNXSDQ-UHFFFAOYSA-N 0 1 262.740 3.073 20 10 CGCDMN C[N@@H+](Cc1cccnc1)Cc1ccc(Cl)cc1[O-] ZINC001140461749 804440795 /nfs/dbraw/zinc/44/07/95/804440795.db2.gz STYVWHOYYNXSDQ-UHFFFAOYSA-N 0 1 262.740 3.073 20 10 CGCDMN COC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140462498 804440949 /nfs/dbraw/zinc/44/09/49/804440949.db2.gz HLVBCEXHSMCRQE-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN COC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140462498 804440951 /nfs/dbraw/zinc/44/09/51/804440951.db2.gz HLVBCEXHSMCRQE-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN COC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140462498 804440954 /nfs/dbraw/zinc/44/09/54/804440954.db2.gz HLVBCEXHSMCRQE-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN C[N@H+](CCc1cccnc1)Cc1ccc(Cl)cc1[O-] ZINC001140466978 804444091 /nfs/dbraw/zinc/44/40/91/804444091.db2.gz OKAYOWJJVOECAI-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN C[N@@H+](CCc1cccnc1)Cc1ccc(Cl)cc1[O-] ZINC001140466978 804444093 /nfs/dbraw/zinc/44/40/93/804444093.db2.gz OKAYOWJJVOECAI-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN C[N@@H+](Cc1ccc(F)cc1)Cc1c([O-])cc(F)cc1F ZINC001140580352 804466998 /nfs/dbraw/zinc/46/69/98/804466998.db2.gz YWBPPNKADWLPEM-UHFFFAOYSA-N 0 1 281.277 3.442 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+](Cc1ccco1)C1CC1 ZINC001140584332 804468816 /nfs/dbraw/zinc/46/88/16/804468816.db2.gz NLVGRKAECQFEOO-UHFFFAOYSA-N 0 1 279.286 3.428 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@@H+](Cc1ccco1)C1CC1 ZINC001140584332 804468818 /nfs/dbraw/zinc/46/88/18/804468818.db2.gz NLVGRKAECQFEOO-UHFFFAOYSA-N 0 1 279.286 3.428 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2c(N)cccc2F)cc1 ZINC001140876845 804539541 /nfs/dbraw/zinc/53/95/41/804539541.db2.gz NXVNZHSQAHVGQN-UHFFFAOYSA-N 0 1 287.382 3.106 20 10 CGCDMN Cc1ccc(C[N@H+]2CCC[C@H](C(F)F)C2)c(O)c1 ZINC001140950716 804559074 /nfs/dbraw/zinc/55/90/74/804559074.db2.gz FICIFILVVZEKJS-LBPRGKRZSA-N 0 1 255.308 3.178 20 10 CGCDMN COc1cc(O)c(CN2CC[C@@H]2c2ccccc2)c(OC)c1 ZINC001141029022 804575459 /nfs/dbraw/zinc/57/54/59/804575459.db2.gz HTTCHRPTRABKLW-MRXNPFEDSA-N 0 1 299.370 3.356 20 10 CGCDMN CC[N@@H+](Cc1ccncc1)Cc1cc(F)c(F)cc1[O-] ZINC001142502729 804726818 /nfs/dbraw/zinc/72/68/18/804726818.db2.gz VVFXTIGDDIQDQO-UHFFFAOYSA-N 0 1 278.302 3.088 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC001142520472 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CN(C)c1cc(F)c(CNCc2ccc(F)cc2)cc1F ZINC001329009615 935178220 /nfs/dbraw/zinc/17/82/20/935178220.db2.gz UVIPUWLSBDWQAT-UHFFFAOYSA-N 0 1 294.320 3.460 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])CCS1 ZINC001474443570 937860004 /nfs/dbraw/zinc/86/00/04/937860004.db2.gz XVWOEKWCLMAITI-SNVBAGLBSA-N 0 1 271.813 3.373 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])CCS1 ZINC001474443570 937860005 /nfs/dbraw/zinc/86/00/05/937860005.db2.gz XVWOEKWCLMAITI-SNVBAGLBSA-N 0 1 271.813 3.373 20 10 CGCDMN COc1cc(C)c(C[N@H+](CC2CC2)C2CCC2)c([O-])c1 ZINC001474474139 937862013 /nfs/dbraw/zinc/86/20/13/937862013.db2.gz CZWAGKVBBFPCMO-UHFFFAOYSA-N 0 1 275.392 3.474 20 10 CGCDMN COc1cc(C)c(C[N@@H+](CC2CC2)C2CCC2)c([O-])c1 ZINC001474474139 937862015 /nfs/dbraw/zinc/86/20/15/937862015.db2.gz CZWAGKVBBFPCMO-UHFFFAOYSA-N 0 1 275.392 3.474 20 10 CGCDMN C[C@H](CN1CCC(C)CC1)[NH2+]Cc1c([O-])cccc1Cl ZINC001560532007 938261758 /nfs/dbraw/zinc/26/17/58/938261758.db2.gz RPYLVTGHMUKRSJ-CYBMUJFWSA-N 0 1 296.842 3.256 20 10 CGCDMN CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC001560834385 938278515 /nfs/dbraw/zinc/27/85/15/938278515.db2.gz MCOKBSBSEHPYIM-STQMWFEESA-N 0 1 297.345 3.060 20 10 CGCDMN CC(C)C[N@@H+](CC(=O)[O-])Cc1c(O)ccc2ccccc21 ZINC000086777972 957986071 /nfs/dbraw/zinc/98/60/71/957986071.db2.gz ACKCMTUVIXIHQB-UHFFFAOYSA-N 0 1 287.359 3.088 20 10 CGCDMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001573698896 962277657 /nfs/dbraw/zinc/27/76/57/962277657.db2.gz QAVZCDJTFNWAPJ-SWLSCSKDSA-N 0 1 299.370 3.088 20 10 CGCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1Cl ZINC001574343138 962304658 /nfs/dbraw/zinc/30/46/58/962304658.db2.gz FKIHLSSOZNUCHQ-LKFCYVNXSA-N 0 1 297.782 3.039 20 10 CGCDMN Cc1cccc(CN2CCc3nc(C(C)C)ncc3C2)c1O ZINC000143365415 346113042 /nfs/dbraw/zinc/11/30/42/346113042.db2.gz CUPBIHLNLCXJBD-UHFFFAOYSA-N 0 1 297.402 3.172 20 10 CGCDMN C[C@H](C[NH2+]Cc1ccc(Br)cc1[O-])C1CC1 ZINC000691428965 799784103 /nfs/dbraw/zinc/78/41/03/799784103.db2.gz UIEDUCZRYXJUDV-SECBINFHSA-N 0 1 284.197 3.290 20 10 CGCDMN CC[C@@H](NCc1cccnc1OC)c1ccc(N(C)C)cc1 ZINC000151152623 371577890 /nfs/dbraw/zinc/57/78/90/371577890.db2.gz PAFVFONKBLQXRB-QGZVFWFLSA-N 0 1 299.418 3.397 20 10 CGCDMN CO[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000293567911 372413255 /nfs/dbraw/zinc/41/32/55/372413255.db2.gz BBASRKJNJBJFFP-XPTSAGLGSA-N 0 1 269.772 3.121 20 10 CGCDMN Cc1cccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1O ZINC000180545153 374020397 /nfs/dbraw/zinc/02/03/97/374020397.db2.gz FZPWYDFYKOLTAT-HNNXBMFYSA-N 0 1 289.400 3.336 20 10 CGCDMN Cc1cccc(CN2CCO[C@H](c3ccsc3)C2)c1O ZINC000180545153 374020405 /nfs/dbraw/zinc/02/04/05/374020405.db2.gz FZPWYDFYKOLTAT-HNNXBMFYSA-N 0 1 289.400 3.336 20 10 CGCDMN C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000272240535 378593196 /nfs/dbraw/zinc/59/31/96/378593196.db2.gz GMRXMTNWFZFHDS-LLVKDONJSA-N 0 1 275.323 3.430 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000272335025 378615765 /nfs/dbraw/zinc/61/57/65/378615765.db2.gz XHZRWWLDNXHMAE-AWEZNQCLSA-N 0 1 260.312 3.197 20 10 CGCDMN C[C@@H]1C[C@@H](CC[NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000273051491 378736187 /nfs/dbraw/zinc/73/61/87/378736187.db2.gz KKDDEGLPBKDFCK-NEPJUHHUSA-N 0 1 283.799 3.340 20 10 CGCDMN C[C@@H](N[C@H](C)c1ccc2ccccc2c1O)c1nncn1C ZINC000273598063 378755892 /nfs/dbraw/zinc/75/58/92/378755892.db2.gz RCQSLIVYBHOYOI-VXGBXAGGSA-N 0 1 296.374 3.086 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000274035259 378766675 /nfs/dbraw/zinc/76/66/75/378766675.db2.gz BWYHDICNUNRJPR-ABAIWWIYSA-N 0 1 281.783 3.093 20 10 CGCDMN CC1(C)[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@H]2CCCO[C@H]21 ZINC000371798652 379176674 /nfs/dbraw/zinc/17/66/74/379176674.db2.gz CNYMNTFQZKTWLM-BPLDGKMQSA-N 0 1 295.810 3.339 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375304157 379489685 /nfs/dbraw/zinc/48/96/85/379489685.db2.gz RJMFZUHOASSDIQ-HNNXBMFYSA-N 0 1 281.783 3.048 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375304157 379489690 /nfs/dbraw/zinc/48/96/90/379489690.db2.gz RJMFZUHOASSDIQ-HNNXBMFYSA-N 0 1 281.783 3.048 20 10 CGCDMN CCCCN(Cc1ccccc1O)[C@@H](C)c1nnc(C)o1 ZINC000282472598 379926654 /nfs/dbraw/zinc/92/66/54/379926654.db2.gz NYZYJDQDKMQMRC-LBPRGKRZSA-N 0 1 289.379 3.447 20 10 CGCDMN COCCN(Cc1ccc(C)o1)Cc1cc(C)ccc1O ZINC000093707265 392239594 /nfs/dbraw/zinc/23/95/94/392239594.db2.gz FQQVVZJDXFZHER-UHFFFAOYSA-N 0 1 289.375 3.251 20 10 CGCDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cncs1 ZINC000122926258 392424224 /nfs/dbraw/zinc/42/42/24/392424224.db2.gz GLPYSRARNHCTNG-GFCCVEGCSA-N 0 1 287.432 3.376 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cccc(Cl)c1[O-] ZINC000287617026 392403029 /nfs/dbraw/zinc/40/30/29/392403029.db2.gz JQOCWWBOVUARAG-SMDDNHRTSA-N 0 1 284.831 3.427 20 10 CGCDMN Cc1c2ccccc2n(C)c1CN[C@H](C)c1cnccn1 ZINC000358997421 393532883 /nfs/dbraw/zinc/53/28/83/393532883.db2.gz WWGHBROYIKEUCP-CYBMUJFWSA-N 0 1 280.375 3.128 20 10 CGCDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CCCC1 ZINC000037323383 173123834 /nfs/dbraw/zinc/12/38/34/173123834.db2.gz LQYJOYQOQVEPIF-UHFFFAOYSA-N 0 1 279.355 3.498 20 10 CGCDMN CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000185112195 262042081 /nfs/dbraw/zinc/04/20/81/262042081.db2.gz WAVAKRBVLNVCMD-QWHCGFSZSA-N 0 1 296.842 3.428 20 10 CGCDMN COCC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185290350 262049011 /nfs/dbraw/zinc/04/90/11/262049011.db2.gz SJTYNCHNNDGDMT-NXEZZACHSA-N 0 1 257.761 3.121 20 10 CGCDMN C[N@@H+](CCc1ccccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000293610888 263144234 /nfs/dbraw/zinc/14/42/34/263144234.db2.gz LTEATICFSJZYBR-UHFFFAOYSA-N 0 1 294.757 3.254 20 10 CGCDMN Cn1cc([C@@H](NCc2ccccc2O)c2ccccc2)cn1 ZINC000374644336 267805672 /nfs/dbraw/zinc/80/56/72/267805672.db2.gz HIGYDKKOLLNLKE-SFHVURJKSA-N 0 1 293.370 3.005 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(F)c(F)c1[O-] ZINC000276939659 328220481 /nfs/dbraw/zinc/22/04/81/328220481.db2.gz PITJATPSTCYGOB-QPUJVOFHSA-N 0 1 293.317 3.122 20 10 CGCDMN C[C@@H](Nc1cn(C)nc1C1CC1)c1ccc(F)c(F)c1O ZINC000291313457 328262950 /nfs/dbraw/zinc/26/29/50/328262950.db2.gz UBLPCLYSUBDFAU-MRVPVSSYSA-N 0 1 293.317 3.454 20 10 CGCDMN CCC[C@]1(CO)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000377839679 329031513 /nfs/dbraw/zinc/03/15/13/329031513.db2.gz LHIMXZRHHRPTOC-HNNXBMFYSA-N 0 1 283.799 3.030 20 10 CGCDMN COc1ccc(N(C)Cc2n[nH]c(C(C)C)n2)cc1Cl ZINC000292625773 524356243 /nfs/dbraw/zinc/35/62/43/524356243.db2.gz YHEJYEDIFXBOOA-UHFFFAOYSA-N 0 1 294.786 3.227 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000037738169 525393554 /nfs/dbraw/zinc/39/35/54/525393554.db2.gz LJTPRGCWLISMEW-STQMWFEESA-N 0 1 271.360 3.233 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000280191680 525417974 /nfs/dbraw/zinc/41/79/74/525417974.db2.gz UVMZRKFGJNJJRH-VHSXEESVSA-N 0 1 271.813 3.449 20 10 CGCDMN Fc1cccc(CNCc2ccc3c(c2)CCO3)c1F ZINC000730816694 572377975 /nfs/dbraw/zinc/37/79/75/572377975.db2.gz CRLIEUYOYDHSHM-UHFFFAOYSA-N 0 1 275.298 3.190 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1C(C)C ZINC000832898816 601894920 /nfs/dbraw/zinc/89/49/20/601894920.db2.gz LHOPURDHSHLDLB-KRWDZBQOSA-N 0 1 291.391 3.121 20 10 CGCDMN C[C@H]1SCC[C@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000309814305 618963154 /nfs/dbraw/zinc/96/31/54/618963154.db2.gz AIPNUMUZPZQPHJ-LDYMZIIASA-N 0 1 257.786 3.029 20 10 CGCDMN CC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H](C)O1 ZINC000775662776 619084058 /nfs/dbraw/zinc/08/40/58/619084058.db2.gz WJSGGWYWQLSPNW-JOYOIKCWSA-N 0 1 287.762 3.184 20 10 CGCDMN C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000093500521 619202329 /nfs/dbraw/zinc/20/23/29/619202329.db2.gz GFMYWZMJYBOLPD-ZJUUUORDSA-N 0 1 271.813 3.371 20 10 CGCDMN C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000093500521 619202332 /nfs/dbraw/zinc/20/23/32/619202332.db2.gz GFMYWZMJYBOLPD-ZJUUUORDSA-N 0 1 271.813 3.371 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c(Cl)c1 ZINC000840940001 619231471 /nfs/dbraw/zinc/23/14/71/619231471.db2.gz SVLHIUUMQQIYGR-WBMJQRKESA-N 0 1 295.810 3.401 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c(Cl)c1 ZINC000840953501 619256627 /nfs/dbraw/zinc/25/66/27/619256627.db2.gz TUKRISJEMZAQPL-MNOVXSKESA-N 0 1 269.772 3.011 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c(Cl)c1 ZINC000840965062 619285081 /nfs/dbraw/zinc/28/50/81/619285081.db2.gz ZZBODYBJLSCWSL-TUAOUCFPSA-N 0 1 283.799 3.257 20 10 CGCDMN CCc1cnc(CN(C)Cc2cc(F)cc(F)c2O)s1 ZINC000894076616 619368136 /nfs/dbraw/zinc/36/81/36/619368136.db2.gz SFHMYDWDRSFSNR-UHFFFAOYSA-N 0 1 298.358 3.321 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000894762316 619629374 /nfs/dbraw/zinc/62/93/74/619629374.db2.gz VRWXJUGAVGWRRL-OAHLLOKOSA-N 0 1 290.313 3.403 20 10 CGCDMN CC[C@@H](CSC)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894781275 619634235 /nfs/dbraw/zinc/63/42/35/619634235.db2.gz FKBIINYHSTXZOW-NSHDSACASA-N 0 1 275.364 3.244 20 10 CGCDMN CSC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894852397 619652079 /nfs/dbraw/zinc/65/20/79/619652079.db2.gz PPXFFXZMHGGCLQ-SNVBAGLBSA-N 0 1 287.375 3.245 20 10 CGCDMN C[C@@H]([NH2+]CCn1cccn1)c1ccc2ccccc2c1[O-] ZINC000049074502 619680316 /nfs/dbraw/zinc/68/03/16/619680316.db2.gz HIGQWDGPHQSKFO-CYBMUJFWSA-N 0 1 281.359 3.093 20 10 CGCDMN Oc1cccc2c1CN(Cc1cccc3c1NCCC3)C2 ZINC000895450441 619831785 /nfs/dbraw/zinc/83/17/85/619831785.db2.gz YYSPWWXFXKNJCC-UHFFFAOYSA-N 0 1 280.371 3.266 20 10 CGCDMN COC(=O)c1ccc(CN2Cc3cccc(O)c3C2)cc1C ZINC000895785143 619885405 /nfs/dbraw/zinc/88/54/05/619885405.db2.gz ORSWSGIEUQASIG-UHFFFAOYSA-N 0 1 297.354 3.003 20 10 CGCDMN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n[nH]1 ZINC000841752304 620377151 /nfs/dbraw/zinc/37/71/51/620377151.db2.gz SJUMCOKQHAKFRT-ONGXEEELSA-N 0 1 293.798 3.359 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000897537073 620380214 /nfs/dbraw/zinc/38/02/14/620380214.db2.gz KMZCTWGQOULFOQ-WFASDCNBSA-N 0 1 297.826 3.385 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160926 620484530 /nfs/dbraw/zinc/48/45/30/620484530.db2.gz ZSURSYFLMHHHNQ-UHFFFAOYSA-N 0 1 277.751 3.313 20 10 CGCDMN C[C@H]([NH2+]Cc1cnn(CCF)c1)c1cc(Cl)ccc1[O-] ZINC000903275259 621658832 /nfs/dbraw/zinc/65/88/32/621658832.db2.gz YMQQKOCWUFBVEX-JTQLQIEISA-N 0 1 297.761 3.062 20 10 CGCDMN Cc1csc(CC[NH2+]Cc2cc(Cl)ccc2[O-])n1 ZINC000060942044 623082992 /nfs/dbraw/zinc/08/29/92/623082992.db2.gz GWNFJWUGEAGZQF-UHFFFAOYSA-N 0 1 282.796 3.143 20 10 CGCDMN COc1cccc(C[N@@H+](C)CCCc2ccccc2)c1O ZINC000154247940 624225711 /nfs/dbraw/zinc/22/57/11/624225711.db2.gz RFMNZHMGTUMJOT-UHFFFAOYSA-N 0 1 285.387 3.465 20 10 CGCDMN CN(C)c1ccc(C[N@@H+](C)Cc2cccs2)cc1 ZINC000174995821 624607806 /nfs/dbraw/zinc/60/78/06/624607806.db2.gz PCODZILHAKQZNK-UHFFFAOYSA-N 0 1 260.406 3.446 20 10 CGCDMN Cc1cc(O)c(CNCc2nc3c(s2)CCC3)cc1C ZINC000922469386 626007114 /nfs/dbraw/zinc/00/71/14/626007114.db2.gz ANRSZZJXXISMDF-UHFFFAOYSA-N 0 1 288.416 3.244 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCS1 ZINC000922836251 626053697 /nfs/dbraw/zinc/05/36/97/626053697.db2.gz LCJOEJUFNFLRHY-NXEZZACHSA-N 0 1 271.813 3.419 20 10 CGCDMN [O-]c1c(C[NH+]2CC3(CC(F)C3)C2)ccc2ccccc21 ZINC000839139198 626322449 /nfs/dbraw/zinc/32/24/49/626322449.db2.gz DRLLPXGZXGOLJE-UHFFFAOYSA-N 0 1 271.335 3.479 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(CCO)CCCCC1 ZINC000753372416 626450714 /nfs/dbraw/zinc/45/07/14/626450714.db2.gz FFDMEGAFGPNJHT-UHFFFAOYSA-N 0 1 297.826 3.468 20 10 CGCDMN CC[C@H](NCc1ccc(N2CCCC2)cc1)c1ccn(C)n1 ZINC000756403588 626702151 /nfs/dbraw/zinc/70/21/51/626702151.db2.gz QDADBMKECACLLC-KRWDZBQOSA-N 0 1 298.434 3.261 20 10 CGCDMN C[C@H](NCc1cn2ccsc2n1)c1cc(F)ccc1O ZINC000756453969 626707135 /nfs/dbraw/zinc/70/71/35/626707135.db2.gz BSLQQRHPMSJNRG-VIFPVBQESA-N 0 1 291.351 3.091 20 10 CGCDMN C[C@@H]([NH2+]CC1(O)CCCC1)c1cc(Cl)ccc1[O-] ZINC000756575983 626716754 /nfs/dbraw/zinc/71/67/54/626716754.db2.gz SAVCLOJKWCUWES-SNVBAGLBSA-N 0 1 269.772 3.001 20 10 CGCDMN CC(C)[C@@H](CCO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756610916 626720382 /nfs/dbraw/zinc/72/03/82/626720382.db2.gz URTJYTYCSPKKIN-RTXFEEFZSA-N 0 1 281.371 3.076 20 10 CGCDMN C[C@H]([NH2+]Cc1ccc(F)cn1)c1cc(Cl)ccc1[O-] ZINC000756657726 626725147 /nfs/dbraw/zinc/72/51/47/626725147.db2.gz FUGSKLIMXFQABQ-VIFPVBQESA-N 0 1 280.730 3.431 20 10 CGCDMN C[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccc2ccccc2c1[O-] ZINC000756770629 626730780 /nfs/dbraw/zinc/73/07/80/626730780.db2.gz YSVZKQCODLHEMR-DOMZBBRYSA-N 0 1 285.387 3.357 20 10 CGCDMN CN(Cc1nc2cc(F)ccc2o1)Cc1ccccc1O ZINC000756861177 626738276 /nfs/dbraw/zinc/73/82/76/626738276.db2.gz SEUPNMWVRQOZHG-UHFFFAOYSA-N 0 1 286.306 3.305 20 10 CGCDMN CCc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)on1 ZINC000766135617 627298346 /nfs/dbraw/zinc/29/83/46/627298346.db2.gz MJSMYZKXFJONFO-GFCCVEGCSA-N 0 1 273.380 3.154 20 10 CGCDMN C[C@H]1SCCN(Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000769446244 627552792 /nfs/dbraw/zinc/55/27/92/627552792.db2.gz LAZWJSBXBOLHCV-VXGBXAGGSA-N 0 1 282.428 3.218 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000769518750 627562129 /nfs/dbraw/zinc/56/21/29/627562129.db2.gz BIGVBAOAGLVBMG-CYBMUJFWSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000769518750 627562132 /nfs/dbraw/zinc/56/21/32/627562132.db2.gz BIGVBAOAGLVBMG-CYBMUJFWSA-N 0 1 295.810 3.294 20 10 CGCDMN CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000771893749 627741814 /nfs/dbraw/zinc/74/18/14/627741814.db2.gz QLWCQPIJPCZRJX-DZGCQCFKSA-N 0 1 283.799 3.339 20 10 CGCDMN C[C@@H](NCc1nccn1CC(F)(F)F)c1ccccc1O ZINC000775130817 628066106 /nfs/dbraw/zinc/06/61/06/628066106.db2.gz PBDDRKRNTRMRGP-SNVBAGLBSA-N 0 1 299.296 3.002 20 10 CGCDMN CC[C@H]([NH2+]C[C@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000775483138 628099084 /nfs/dbraw/zinc/09/90/84/628099084.db2.gz MERWAXVOHLZMBV-YPMHNXCESA-N 0 1 269.772 3.265 20 10 CGCDMN CC[C@@H]([NH2+][C@H](CO)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775512503 628102432 /nfs/dbraw/zinc/10/24/32/628102432.db2.gz QQISVKWOYMUACZ-CHWSQXEVSA-N 0 1 271.788 3.103 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](O)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775508818 628102888 /nfs/dbraw/zinc/10/28/88/628102888.db2.gz XNBIZSLCAKAWIW-JSGCOSHPSA-N 0 1 271.788 3.103 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC1CC1 ZINC000775700760 628127688 /nfs/dbraw/zinc/12/76/88/628127688.db2.gz IIALCDPNYKFYNJ-UHFFFAOYSA-N 0 1 257.736 3.417 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000775726055 628129103 /nfs/dbraw/zinc/12/91/03/628129103.db2.gz ONKLNPITYKNGJA-JTQLQIEISA-N 0 1 269.747 3.417 20 10 CGCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCCC[C@@H]1C ZINC000775986818 628155871 /nfs/dbraw/zinc/15/58/71/628155871.db2.gz JIROCWBKXFMSLV-STQMWFEESA-N 0 1 296.842 3.398 20 10 CGCDMN CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C ZINC000776499722 628215214 /nfs/dbraw/zinc/21/52/14/628215214.db2.gz XTWTUODQZFGSAX-BIGNPOOSSA-N 0 1 283.799 3.195 20 10 CGCDMN CCc1cccnc1[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000780724005 628510996 /nfs/dbraw/zinc/51/09/96/628510996.db2.gz MBBZGCTUDIUWHT-ZDUSSCGKSA-N 0 1 282.387 3.430 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](C)OC)c1cc(Cl)ccc1[O-] ZINC000785573127 628871641 /nfs/dbraw/zinc/87/16/41/628871641.db2.gz NRIBKEPLQPFBIJ-JOYOIKCWSA-N 0 1 257.761 3.121 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000789508833 629141583 /nfs/dbraw/zinc/14/15/83/629141583.db2.gz SDPGQDCRBGQTIO-WMZOPIPTSA-N 0 1 298.386 3.084 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000789508833 629141585 /nfs/dbraw/zinc/14/15/85/629141585.db2.gz SDPGQDCRBGQTIO-WMZOPIPTSA-N 0 1 298.386 3.084 20 10 CGCDMN CCN(Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCCOC1 ZINC000862403225 629365017 /nfs/dbraw/zinc/36/50/17/629365017.db2.gz NENVPKAZJRPLTE-ZDUSSCGKSA-N 0 1 298.377 3.032 20 10 CGCDMN Oc1c(CNc2cccc3c2OCCO3)ccc(F)c1F ZINC000864020746 629729624 /nfs/dbraw/zinc/72/96/24/629729624.db2.gz WJSLWCBJLKLNGI-UHFFFAOYSA-N 0 1 293.269 3.054 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000797066936 629881057 /nfs/dbraw/zinc/88/10/57/629881057.db2.gz VHXXMRMIOKVYGZ-HOTUBEGUSA-N 0 1 271.813 3.448 20 10 CGCDMN CC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808702478 630295520 /nfs/dbraw/zinc/29/55/20/630295520.db2.gz XKODKVMKJYZKFP-RYUDHWBXSA-N 0 1 285.815 3.413 20 10 CGCDMN CCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836524 630599167 /nfs/dbraw/zinc/59/91/67/630599167.db2.gz ZINXZJMORRUWMK-UHFFFAOYSA-N 0 1 262.136 3.115 20 10 CGCDMN CC(C)[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCOC1 ZINC000812777218 631306721 /nfs/dbraw/zinc/30/67/21/631306721.db2.gz ZLKPINQPHDSNEZ-SNVBAGLBSA-N 0 1 287.762 3.184 20 10 CGCDMN Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876545159 634853787 /nfs/dbraw/zinc/85/37/87/634853787.db2.gz BQRBSXNCBOOEHX-AWEZNQCLSA-N 0 1 292.329 3.346 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178208 631538044 /nfs/dbraw/zinc/53/80/44/631538044.db2.gz HJNLMBRACCJSIW-ZDUSSCGKSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178208 631538048 /nfs/dbraw/zinc/53/80/48/631538048.db2.gz HJNLMBRACCJSIW-ZDUSSCGKSA-N 0 1 295.810 3.294 20 10 CGCDMN CCc1cc(CNCc2ccc3ccccc3c2O)on1 ZINC000816527890 632004028 /nfs/dbraw/zinc/00/40/28/632004028.db2.gz CYUCMVKCZCSHNZ-UHFFFAOYSA-N 0 1 282.343 3.386 20 10 CGCDMN Cc1n[nH]cc1CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816534672 632005629 /nfs/dbraw/zinc/00/56/29/632005629.db2.gz QAKQWBCTJZLEAN-UHFFFAOYSA-N 0 1 295.386 3.299 20 10 CGCDMN C[C@@H]1CCCN(CC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816535458 632005987 /nfs/dbraw/zinc/00/59/87/632005987.db2.gz PCMUTSLRSGTWCB-OAHLLOKOSA-N 0 1 298.430 3.367 20 10 CGCDMN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549205 632008912 /nfs/dbraw/zinc/00/89/12/632008912.db2.gz HPQZIGFPIWOVNZ-FZKQIMNGSA-N 0 1 287.403 3.432 20 10 CGCDMN C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816557452 632011392 /nfs/dbraw/zinc/01/13/92/632011392.db2.gz QNNVUIPICHMEHF-FZKQIMNGSA-N 0 1 296.414 3.118 20 10 CGCDMN CC[C@H](CCO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816557624 632011630 /nfs/dbraw/zinc/01/16/30/632011630.db2.gz WQOJJDWPBTZBQY-CYBMUJFWSA-N 0 1 273.376 3.044 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@@H]2CCC=CO2)ccc2ccccc21 ZINC000816584085 632017667 /nfs/dbraw/zinc/01/76/67/632017667.db2.gz BILVDWHRESYLDL-HNNXBMFYSA-N 0 1 269.344 3.328 20 10 CGCDMN C[C@@H](NCc1cc(Cl)c(F)cc1O)C(F)(F)F ZINC000816613434 632024114 /nfs/dbraw/zinc/02/41/14/632024114.db2.gz UKUWCOJZGCRBLN-RXMQYKEDSA-N 0 1 271.641 3.225 20 10 CGCDMN COc1ccc(O)c(CNCc2c(F)cc(F)cc2F)c1 ZINC000816651158 632037687 /nfs/dbraw/zinc/03/76/87/632037687.db2.gz WBVONFFBMBOJQO-UHFFFAOYSA-N 0 1 297.276 3.108 20 10 CGCDMN CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817958395 632253943 /nfs/dbraw/zinc/25/39/43/632253943.db2.gz JHJVPYHJBDFQNO-GZMMTYOYSA-N 0 1 291.222 3.333 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1CCCCNC1)c1cccc(Cl)c1[O-] ZINC000817984715 632274636 /nfs/dbraw/zinc/27/46/36/632274636.db2.gz XRWZIAZAAPFUGR-RISCZKNCSA-N 0 1 282.815 3.228 20 10 CGCDMN COc1cccc(O)c1CN[C@H]1C[C@]1(F)c1ccccc1 ZINC000818231085 632300389 /nfs/dbraw/zinc/30/03/89/632300389.db2.gz VCYXIKUFRFAGQU-IRXDYDNUSA-N 0 1 287.334 3.128 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000866462892 633144679 /nfs/dbraw/zinc/14/46/79/633144679.db2.gz CLAUNCMGXDWZTA-MVKOHCKWSA-N 0 1 297.704 3.008 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cc(F)ccc1[O-] ZINC000866529872 633174419 /nfs/dbraw/zinc/17/44/19/633174419.db2.gz SYTHTLCSUHMSON-STQMWFEESA-N 0 1 293.382 3.389 20 10 CGCDMN CCOc1ccc(CN2CCC[C@@](C)(F)C2)c(O)c1 ZINC000824472888 633248638 /nfs/dbraw/zinc/24/86/38/633248638.db2.gz ZZIVSNVRYXBPQN-OAHLLOKOSA-N 0 1 267.344 3.115 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CC2(O)CCCC2)cc1Cl ZINC000824829648 633297524 /nfs/dbraw/zinc/29/75/24/633297524.db2.gz JXASQFLAODTWFO-UHFFFAOYSA-N 0 1 283.799 3.091 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CC2(O)CCCC2)cc1Cl ZINC000824829648 633297532 /nfs/dbraw/zinc/29/75/32/633297532.db2.gz JXASQFLAODTWFO-UHFFFAOYSA-N 0 1 283.799 3.091 20 10 CGCDMN Cc1cccc(O)c1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000876581961 634862163 /nfs/dbraw/zinc/86/21/63/634862163.db2.gz RWUWODRWXWFROD-UHFFFAOYSA-N 0 1 286.331 3.241 20 10 CGCDMN CCOc1ccc(CNc2ccc3c(n2)CCC3)c(O)c1 ZINC000825123708 633331015 /nfs/dbraw/zinc/33/10/15/633331015.db2.gz BXYSPZPUPPRUBV-UHFFFAOYSA-N 0 1 284.359 3.287 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccccc2CO)cc1Cl ZINC000825138504 633331833 /nfs/dbraw/zinc/33/18/33/633331833.db2.gz OBOVQVPSSXCSHG-UHFFFAOYSA-N 0 1 291.778 3.136 20 10 CGCDMN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000825284273 633342306 /nfs/dbraw/zinc/34/23/06/633342306.db2.gz IYXYHLRJFYGUIH-TZMCWYRMSA-N 0 1 269.772 3.093 20 10 CGCDMN C[C@H]1C[C@H](C)N1Cc1ccc(Br)cc1O ZINC000825738557 633379226 /nfs/dbraw/zinc/37/92/26/633379226.db2.gz PRSLFANKNPWKPL-IUCAKERBSA-N 0 1 270.170 3.137 20 10 CGCDMN C[C@H]1C[C@H](C)[NH+]1Cc1ccc(Br)cc1[O-] ZINC000825738557 633379230 /nfs/dbraw/zinc/37/92/30/633379230.db2.gz PRSLFANKNPWKPL-IUCAKERBSA-N 0 1 270.170 3.137 20 10 CGCDMN COc1cccnc1CNCc1cc(Cl)c(C)cc1O ZINC000826100876 633405531 /nfs/dbraw/zinc/40/55/31/633405531.db2.gz WQVCGRHJNGHGBB-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN Cc1cc(O)c(C[N@@H+](C)CC2=CCSC2)cc1Cl ZINC000827812503 633520569 /nfs/dbraw/zinc/52/05/69/633520569.db2.gz NWHLCHGNZJPXKL-UHFFFAOYSA-N 0 1 283.824 3.459 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CC2=CCSC2)cc1Cl ZINC000827812503 633520593 /nfs/dbraw/zinc/52/05/93/633520593.db2.gz NWHLCHGNZJPXKL-UHFFFAOYSA-N 0 1 283.824 3.459 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CC2=CCSC2)cc1Cl ZINC000827812503 633520597 /nfs/dbraw/zinc/52/05/97/633520597.db2.gz NWHLCHGNZJPXKL-UHFFFAOYSA-N 0 1 283.824 3.459 20 10 CGCDMN C[C@H](CCCO)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834870121 634260041 /nfs/dbraw/zinc/26/00/41/634260041.db2.gz GHNOVHBQUPGXPC-MDZLAQPJSA-N 0 1 281.371 3.078 20 10 CGCDMN Cc1ccc([C@H](C)N[C@@H]2C[C@@H](C)n3ccnc32)c(O)c1 ZINC000834894261 634272080 /nfs/dbraw/zinc/27/20/80/634272080.db2.gz JVFHEGUXYNOEKQ-MBNYWOFBSA-N 0 1 271.364 3.254 20 10 CGCDMN Cc1ccc([C@H](C)N[C@@H]2C[C@H](C)n3ccnc32)c(O)c1 ZINC000834894263 634272152 /nfs/dbraw/zinc/27/21/52/634272152.db2.gz JVFHEGUXYNOEKQ-SGMGOOAPSA-N 0 1 271.364 3.254 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000834899066 634275166 /nfs/dbraw/zinc/27/51/66/634275166.db2.gz FKZVARLNVWZUBU-UHIISALHSA-N 0 1 283.799 3.247 20 10 CGCDMN Cc1nccnc1[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000873187228 634276324 /nfs/dbraw/zinc/27/63/24/634276324.db2.gz OFCPFHMQUIFTBO-VBROQKIQSA-N 0 1 296.418 3.215 20 10 CGCDMN CCc1ncc(CN[C@H](C)c2cc(Cl)ccc2O)o1 ZINC000834900159 634276922 /nfs/dbraw/zinc/27/69/22/634276922.db2.gz NGPPBMACGMKTNW-SECBINFHSA-N 0 1 280.755 3.447 20 10 CGCDMN CCc1ncc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])o1 ZINC000834900159 634276928 /nfs/dbraw/zinc/27/69/28/634276928.db2.gz NGPPBMACGMKTNW-SECBINFHSA-N 0 1 280.755 3.447 20 10 CGCDMN C[C@@H](NCc1cnc(C2CC2)o1)c1ccc(N(C)C)cc1 ZINC000834903879 634280246 /nfs/dbraw/zinc/28/02/46/634280246.db2.gz KSWKGJJIQRHYMR-GFCCVEGCSA-N 0 1 285.391 3.469 20 10 CGCDMN C[C@H](C1CC1)n1nccc1NCc1ccc(F)c(F)c1O ZINC000877005371 634947716 /nfs/dbraw/zinc/94/77/16/634947716.db2.gz DLDMXSFMTFIWIG-SECBINFHSA-N 0 1 293.317 3.450 20 10 CGCDMN [O-]c1c(C[N@H+]2CCCC3(CC3)C2)ccc(F)c1F ZINC000877404528 635035318 /nfs/dbraw/zinc/03/53/18/635035318.db2.gz DHSARYHHMDDZIO-UHFFFAOYSA-N 0 1 253.292 3.046 20 10 CGCDMN Cc1noc(C)c1CNCc1c(O)cc(C)cc1Cl ZINC000840883562 635073415 /nfs/dbraw/zinc/07/34/15/635073415.db2.gz FZZYSSSVVTTYGB-UHFFFAOYSA-N 0 1 280.755 3.249 20 10 CGCDMN Cc1noc(C)c1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840883562 635073420 /nfs/dbraw/zinc/07/34/20/635073420.db2.gz FZZYSSSVVTTYGB-UHFFFAOYSA-N 0 1 280.755 3.249 20 10 CGCDMN [O-]c1c(C[N@@H+](Cc2ccccn2)C2CC2)ccc(F)c1F ZINC000877531875 635074888 /nfs/dbraw/zinc/07/48/88/635074888.db2.gz UQBHQUGKJGNWDB-UHFFFAOYSA-N 0 1 290.313 3.230 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccccc2O)c(Cl)c1 ZINC000840892048 635076291 /nfs/dbraw/zinc/07/62/91/635076291.db2.gz XLBJBFPNTGZCFO-UHFFFAOYSA-N 0 1 291.778 3.392 20 10 CGCDMN CCC[C@@H](CCO)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840901430 635079223 /nfs/dbraw/zinc/07/92/23/635079223.db2.gz JMTOHVAQQYIOAW-LBPRGKRZSA-N 0 1 285.815 3.242 20 10 CGCDMN CSC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000877663231 635137878 /nfs/dbraw/zinc/13/78/78/635137878.db2.gz LSDVFHUYMMVMTI-UHFFFAOYSA-N 0 1 271.813 3.373 20 10 CGCDMN CC[C@]1(O)CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000877691159 635147479 /nfs/dbraw/zinc/14/74/79/635147479.db2.gz JSWUJOLVXVYIGY-SFHVURJKSA-N 0 1 285.387 3.282 20 10 CGCDMN CC[C@]1(O)CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877691159 635147484 /nfs/dbraw/zinc/14/74/84/635147484.db2.gz JSWUJOLVXVYIGY-SFHVURJKSA-N 0 1 285.387 3.282 20 10 CGCDMN CC[C@]1(O)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877691159 635147492 /nfs/dbraw/zinc/14/74/92/635147492.db2.gz JSWUJOLVXVYIGY-SFHVURJKSA-N 0 1 285.387 3.282 20 10 CGCDMN C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841746203 635221820 /nfs/dbraw/zinc/22/18/20/635221820.db2.gz CXKDVGRSPVSVLN-NSHDSACASA-N 0 1 283.799 3.391 20 10 CGCDMN C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841745051 635222312 /nfs/dbraw/zinc/22/23/12/635222312.db2.gz UBJCUVXMFLWCRW-MEDUHNTESA-N 0 1 291.778 3.430 20 10 CGCDMN C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(Cl)cc1[O-] ZINC000841748496 635223807 /nfs/dbraw/zinc/22/38/07/635223807.db2.gz ACPPLYCTZQVLMN-XPTSAGLGSA-N 0 1 297.807 3.491 20 10 CGCDMN C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841750808 635225239 /nfs/dbraw/zinc/22/52/39/635225239.db2.gz JDRJKWAZTBVHQG-RDDDGLTNSA-N 0 1 297.704 3.010 20 10 CGCDMN C[C@@H]([NH2+]CCNc1ccccn1)c1ccc(Cl)cc1[O-] ZINC000841754206 635229001 /nfs/dbraw/zinc/22/90/01/635229001.db2.gz IVELTOQKCRZUGD-LLVKDONJSA-N 0 1 291.782 3.203 20 10 CGCDMN C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841757331 635232199 /nfs/dbraw/zinc/23/21/99/635232199.db2.gz DOHISQNORKATFG-JQWIXIFHSA-N 0 1 285.815 3.493 20 10 CGCDMN CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841762911 635233430 /nfs/dbraw/zinc/23/34/30/635233430.db2.gz KJLPONHCXNIICM-BMIGLBTASA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000842917421 635511865 /nfs/dbraw/zinc/51/18/65/635511865.db2.gz ORGQGZRRQDWBAT-GMXVVIOVSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@H]1CC2(C[N@@H+]1Cc1c([O-])cccc1Cl)CCOCC2 ZINC000843431592 635673331 /nfs/dbraw/zinc/67/33/31/635673331.db2.gz INYCPXWVQCTIQE-LBPRGKRZSA-N 0 1 295.810 3.437 20 10 CGCDMN C[C@H]1CC2(C[N@H+]1Cc1c([O-])cccc1Cl)CCOCC2 ZINC000843431592 635673333 /nfs/dbraw/zinc/67/33/33/635673333.db2.gz INYCPXWVQCTIQE-LBPRGKRZSA-N 0 1 295.810 3.437 20 10 CGCDMN C[C@@H](CO)C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000846057348 636140082 /nfs/dbraw/zinc/14/00/82/636140082.db2.gz HICQSFZTSGJXIR-AWEZNQCLSA-N 0 1 299.414 3.386 20 10 CGCDMN C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000846188949 636156514 /nfs/dbraw/zinc/15/65/14/636156514.db2.gz RGQHPVYZDNIWNG-GTNSWQLSSA-N 0 1 293.382 3.387 20 10 CGCDMN C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1c([O-])cccc1Cl ZINC000130486322 636463716 /nfs/dbraw/zinc/46/37/16/636463716.db2.gz KOENOYYCSCHJDE-QMTHXVAHSA-N 0 1 295.766 3.240 20 10 CGCDMN COc1ccc(O)c(CNCc2ccc(SC)o2)c1 ZINC000883000262 636501175 /nfs/dbraw/zinc/50/11/75/636501175.db2.gz UTUJDNHCEGADLJ-UHFFFAOYSA-N 0 1 279.361 3.006 20 10 CGCDMN COc1c(C)cccc1CNCc1ccc2c(c1)CCO2 ZINC000848564615 636608832 /nfs/dbraw/zinc/60/88/32/636608832.db2.gz PNPXSIDPIRWRGV-UHFFFAOYSA-N 0 1 283.371 3.228 20 10 CGCDMN C[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000132652366 636827842 /nfs/dbraw/zinc/82/78/42/636827842.db2.gz FWHAEXFDYOCHHK-VIFPVBQESA-N 0 1 270.170 3.139 20 10 CGCDMN C[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000132652366 636827843 /nfs/dbraw/zinc/82/78/43/636827843.db2.gz FWHAEXFDYOCHHK-VIFPVBQESA-N 0 1 270.170 3.139 20 10 CGCDMN C[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000132652366 636827848 /nfs/dbraw/zinc/82/78/48/636827848.db2.gz FWHAEXFDYOCHHK-VIFPVBQESA-N 0 1 270.170 3.139 20 10 CGCDMN CCn1c(CNCc2ccccc2O)nc2ccccc21 ZINC000134235449 637008679 /nfs/dbraw/zinc/00/86/79/637008679.db2.gz ZDTRUJFNGCEUTJ-UHFFFAOYSA-N 0 1 281.359 3.052 20 10 CGCDMN Cc1ccncc1CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000850355058 637025102 /nfs/dbraw/zinc/02/51/02/637025102.db2.gz CHZHEUSCNAXIJQ-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000850520422 637100148 /nfs/dbraw/zinc/10/01/48/637100148.db2.gz BEAFWBIOAPBZHY-UFBFGSQYSA-N 0 1 291.725 3.120 20 10 CGCDMN CCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000850554418 637120058 /nfs/dbraw/zinc/12/00/58/637120058.db2.gz JJEIGYMCCYREAI-WCQYABFASA-N 0 1 282.815 3.181 20 10 CGCDMN CCN(CC)c1ccc(CN[C@@H](C)c2cn(C)cn2)cc1 ZINC000924711967 638393056 /nfs/dbraw/zinc/39/30/56/638393056.db2.gz ZGQZPPCHHQVEAL-AWEZNQCLSA-N 0 1 286.423 3.117 20 10 CGCDMN CCCC[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000159096308 640030184 /nfs/dbraw/zinc/03/01/84/640030184.db2.gz PKMKKMQYNBHNQJ-UHFFFAOYSA-N 0 1 292.206 3.293 20 10 CGCDMN CCN(CC)c1ccc(CN2CCOC[C@@H]2C2CC2)cc1 ZINC000093645844 640778736 /nfs/dbraw/zinc/77/87/36/640778736.db2.gz FUITVGLTRSFSBR-GOSISDBHSA-N 0 1 288.435 3.144 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC(C)(C)C2)c1[O-] ZINC000094267499 640793494 /nfs/dbraw/zinc/79/34/94/640793494.db2.gz LBLLZRBZHGZJDW-UHFFFAOYSA-N 0 1 281.783 3.480 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC(C)(C)C2)c1[O-] ZINC000094267499 640793502 /nfs/dbraw/zinc/79/35/02/640793502.db2.gz LBLLZRBZHGZJDW-UHFFFAOYSA-N 0 1 281.783 3.480 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000113329158 640975325 /nfs/dbraw/zinc/97/53/25/640975325.db2.gz FQAMQHRRTPMOAK-OAHLLOKOSA-N 0 1 295.741 3.008 20 10 CGCDMN Cc1cc(C)nc(N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001156921159 805752642 /nfs/dbraw/zinc/75/26/42/805752642.db2.gz OCYFKYJUIUOVGY-UHFFFAOYSA-N 0 1 269.392 3.401 20 10 CGCDMN O=C1C[C@H]2CC([NH2+]Cc3cc4ccccc4cc3[O-])C[C@@H]2C1 ZINC001254929485 806509978 /nfs/dbraw/zinc/50/99/78/806509978.db2.gz SPVKZOPXHLQDSY-HUUCEWRRSA-N 0 1 295.382 3.393 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1[O-] ZINC000087778605 798947637 /nfs/dbraw/zinc/94/76/37/798947637.db2.gz FPYGXRLBWWGRPP-WBMJQRKESA-N 0 1 291.366 3.498 20 10 CGCDMN COC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000091862311 798955483 /nfs/dbraw/zinc/95/54/83/798955483.db2.gz OFASSZNOXWRUIA-NSHDSACASA-N 0 1 290.190 3.310 20 10 CGCDMN CC(C)C[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000691733273 799786220 /nfs/dbraw/zinc/78/62/20/799786220.db2.gz JECJCSFYMGWYEF-UHFFFAOYSA-N 0 1 272.186 3.243 20 10 CGCDMN CC(C)C[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000691733273 799786225 /nfs/dbraw/zinc/78/62/25/799786225.db2.gz JECJCSFYMGWYEF-UHFFFAOYSA-N 0 1 272.186 3.243 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000694248165 799820552 /nfs/dbraw/zinc/82/05/52/799820552.db2.gz MJMBNWLLWUTIBM-JIMOISOXSA-N 0 1 251.757 3.324 20 10 CGCDMN C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])CC(F)F ZINC000697720260 799848003 /nfs/dbraw/zinc/84/80/03/799848003.db2.gz UIBNRNPLOXBLSO-MRVPVSSYSA-N 0 1 263.715 3.427 20 10 CGCDMN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])CC(F)F ZINC000697750481 799848871 /nfs/dbraw/zinc/84/88/71/799848871.db2.gz CFKFBWGSIAFVSQ-IUCAKERBSA-N 0 1 261.287 3.473 20 10 CGCDMN CCC[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715703916 800144627 /nfs/dbraw/zinc/14/46/27/800144627.db2.gz TXGPIXYWKKQLOX-UHFFFAOYSA-N 0 1 276.149 3.136 20 10 CGCDMN Cc1nc(CNCc2cc(Cl)ccc2O)sc1C ZINC000719527756 800240839 /nfs/dbraw/zinc/24/08/39/800240839.db2.gz LNJAKPYJZWGUFQ-UHFFFAOYSA-N 0 1 282.796 3.409 20 10 CGCDMN Cc1nc(C[NH2+]Cc2cc(Cl)ccc2[O-])sc1C ZINC000719527756 800240845 /nfs/dbraw/zinc/24/08/45/800240845.db2.gz LNJAKPYJZWGUFQ-UHFFFAOYSA-N 0 1 282.796 3.409 20 10 CGCDMN Nc1ccc(CN2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC001120268412 802737677 /nfs/dbraw/zinc/73/76/77/802737677.db2.gz DMEASZFZKZGPLN-IBGZPJMESA-N 0 1 296.414 3.102 20 10 CGCDMN CC[N@@H+](Cc1cnc(OC)c(C)c1)Cc1ccccc1O ZINC001137007336 803670921 /nfs/dbraw/zinc/67/09/21/803670921.db2.gz AONSJTMGCDKFFQ-UHFFFAOYSA-N 0 1 286.375 3.126 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](F)CC1 ZINC001140337741 804417434 /nfs/dbraw/zinc/41/74/34/804417434.db2.gz BYKWGCPDBKUACN-JTQLQIEISA-N 0 1 257.736 3.370 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](F)CC1 ZINC001140337741 804417438 /nfs/dbraw/zinc/41/74/38/804417438.db2.gz BYKWGCPDBKUACN-JTQLQIEISA-N 0 1 257.736 3.370 20 10 CGCDMN CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3c([O-])cccc3Cl)C[C@@H]21 ZINC001140345550 804420825 /nfs/dbraw/zinc/42/08/25/804420825.db2.gz WFNCUXOSZNKASL-BFQNTYOBSA-N 0 1 295.810 3.293 20 10 CGCDMN CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c([O-])cccc3Cl)C[C@@H]21 ZINC001140345550 804420828 /nfs/dbraw/zinc/42/08/28/804420828.db2.gz WFNCUXOSZNKASL-BFQNTYOBSA-N 0 1 295.810 3.293 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC2(CCC2)C1 ZINC001140464724 804442276 /nfs/dbraw/zinc/44/22/76/804442276.db2.gz BBWZOCKEZRKTAN-UHFFFAOYSA-N 0 1 251.757 3.422 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC2(CCC2)C1 ZINC001140464724 804442287 /nfs/dbraw/zinc/44/22/87/804442287.db2.gz BBWZOCKEZRKTAN-UHFFFAOYSA-N 0 1 251.757 3.422 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC2(CCC2)C1 ZINC001140583426 804466565 /nfs/dbraw/zinc/46/65/65/804466565.db2.gz GIAOTIMFCCIMMC-UHFFFAOYSA-N 0 1 253.292 3.046 20 10 CGCDMN C[C@]1(F)CCC[N@@H+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140582346 804467049 /nfs/dbraw/zinc/46/70/49/804467049.db2.gz GRPWONSGMSJHLC-AWEZNQCLSA-N 0 1 273.298 3.385 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCc2c(F)cccc2C1 ZINC001140584271 804468280 /nfs/dbraw/zinc/46/82/80/804468280.db2.gz LHHOSNGWQPPXSE-UHFFFAOYSA-N 0 1 293.288 3.368 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCc2c(F)cccc2C1 ZINC001140584271 804468283 /nfs/dbraw/zinc/46/82/83/804468283.db2.gz LHHOSNGWQPPXSE-UHFFFAOYSA-N 0 1 293.288 3.368 20 10 CGCDMN C[N@H+](Cc1cc(Cl)ccc1N)Cc1ccccc1O ZINC001140717769 804496384 /nfs/dbraw/zinc/49/63/84/804496384.db2.gz NDPORIDIUVPSNW-UHFFFAOYSA-N 0 1 276.767 3.260 20 10 CGCDMN CCN(CC)c1ccc(CN2CCn3cccc3C2)c(O)c1 ZINC001140855042 804533054 /nfs/dbraw/zinc/53/30/54/804533054.db2.gz LMQBSYSGFIYRMN-UHFFFAOYSA-N 0 1 299.418 3.056 20 10 CGCDMN CC(C)O[C@@H]1CCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924634 804550162 /nfs/dbraw/zinc/55/01/62/804550162.db2.gz JUUIDBVBOHCUII-OAHLLOKOSA-N 0 1 296.842 3.405 20 10 CGCDMN CN(C)c1ccc(CN2CC3(C2)CCOCC3)c(Cl)c1 ZINC001140923884 804551223 /nfs/dbraw/zinc/55/12/23/804551223.db2.gz KRURMVYRDWYIQT-UHFFFAOYSA-N 0 1 294.826 3.018 20 10 CGCDMN Cc1ccc(CN(C)Cc2nc3ccccc3o2)c(O)c1 ZINC001140950816 804557918 /nfs/dbraw/zinc/55/79/18/804557918.db2.gz JSMHUUZBLOGMIH-UHFFFAOYSA-N 0 1 282.343 3.474 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CCC[C@H]2C(C)C)c(OC)c1 ZINC001141030994 804575326 /nfs/dbraw/zinc/57/53/26/804575326.db2.gz UMYQQCCPZCDTAJ-AWEZNQCLSA-N 0 1 279.380 3.030 20 10 CGCDMN COc1cc(O)c(CN2CCCC[C@@](C)(F)C2)c(OC)c1 ZINC001141032005 804575777 /nfs/dbraw/zinc/57/57/77/804575777.db2.gz PUOSFAAFYFEXKI-MRXNPFEDSA-N 0 1 297.370 3.124 20 10 CGCDMN C[C@@H]1CCCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142520459 804730288 /nfs/dbraw/zinc/73/02/88/804730288.db2.gz JXSVTAFKYMGIQD-SNVBAGLBSA-N 0 1 255.308 3.435 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001142524639 804731900 /nfs/dbraw/zinc/73/19/00/804731900.db2.gz FFTKVMIGZIABHC-MRVPVSSYSA-N 0 1 277.261 3.148 20 10 CGCDMN CC1(C)[C@@H]2C[C@@H]([N@H+]3CCc4cccc(O)c4C3)C[C@@H]21 ZINC001170765249 807902613 /nfs/dbraw/zinc/90/26/13/807902613.db2.gz RITLAMPOAMIUTP-XMQYKBBCSA-N 0 1 257.377 3.185 20 10 CGCDMN Oc1cc2ccccc2cc1CNc1ccc2nc[nH]c2n1 ZINC001171399127 808045245 /nfs/dbraw/zinc/04/52/45/808045245.db2.gz DCLICDCCGJBJHV-UHFFFAOYSA-N 0 1 290.326 3.429 20 10 CGCDMN C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC001180039095 809968868 /nfs/dbraw/zinc/96/88/68/809968868.db2.gz LHKHVBGYPRNPRB-XHPSBEMXSA-N 0 1 288.435 3.265 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC001180332816 809994466 /nfs/dbraw/zinc/99/44/66/809994466.db2.gz UPZDKKZEXCVMGM-IUODEOHRSA-N 0 1 297.826 3.337 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC001180332816 809994470 /nfs/dbraw/zinc/99/44/70/809994470.db2.gz UPZDKKZEXCVMGM-IUODEOHRSA-N 0 1 297.826 3.337 20 10 CGCDMN CO[C@H](CC[NH2+]Cc1ccc(Cl)cc1[O-])C(F)(F)F ZINC001180916636 810027125 /nfs/dbraw/zinc/02/71/25/810027125.db2.gz HFHYOLOSUAKIBV-LLVKDONJSA-N 0 1 297.704 3.103 20 10 CGCDMN Oc1cccc2c1CN(Cc1ccccc1F)CC2 ZINC001203357087 812322034 /nfs/dbraw/zinc/32/20/34/812322034.db2.gz FLBNIGRXMQNASS-UHFFFAOYSA-N 0 1 257.308 3.090 20 10 CGCDMN CCC[N@@H+](Cc1cc(Cl)ccc1[O-])C1CCOCC1 ZINC001203664768 812422333 /nfs/dbraw/zinc/42/23/33/812422333.db2.gz VSDSPHMNLAALJI-UHFFFAOYSA-N 0 1 283.799 3.437 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)Cc2ccccc21 ZINC001204272017 812592891 /nfs/dbraw/zinc/59/28/91/812592891.db2.gz HHTSKCQVDIHZRR-GFCCVEGCSA-N 0 1 269.344 3.217 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@H]2Cc2ccccc2)ccc(F)c1F ZINC001204579120 812680680 /nfs/dbraw/zinc/68/06/80/812680680.db2.gz GGUFDLDSULXSOS-AWEZNQCLSA-N 0 1 289.325 3.487 20 10 CGCDMN Cc1ccc(C)n1-c1ccc(CN2CC3(CC(O)C3)C2)cc1 ZINC001209517428 814070652 /nfs/dbraw/zinc/07/06/52/814070652.db2.gz FCXCMYXSSDQYON-UHFFFAOYSA-N 0 1 296.414 3.051 20 10 CGCDMN Cn1cncc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001211249962 814860660 /nfs/dbraw/zinc/86/06/60/814860660.db2.gz BKHNPTGIXLWCQW-UHFFFAOYSA-N 0 1 278.359 3.341 20 10 CGCDMN CN(c1cncn1Cc1ccccc1)c1ccc(N)cc1 ZINC001216554316 815857728 /nfs/dbraw/zinc/85/77/28/815857728.db2.gz HYVSGVRTOWCEQP-UHFFFAOYSA-N 0 1 278.359 3.282 20 10 CGCDMN CCc1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])ccc2O)cc1 ZINC001231566270 818124421 /nfs/dbraw/zinc/12/44/21/818124421.db2.gz VXRASLVCOKANLT-UHFFFAOYSA-N 0 1 299.370 3.285 20 10 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/nfs/dbraw/zinc/09/29/01/378092901.db2.gz AUONFZOBVFHRBY-AWEZNQCLSA-N 0 1 294.402 3.251 20 10 CGCDMN OCC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000271083858 378450993 /nfs/dbraw/zinc/45/09/93/378450993.db2.gz SHIFJEFRXXELPA-UHFFFAOYSA-N 0 1 283.371 3.016 20 10 CGCDMN OCC[N@@H+](Cc1ccccc1O)[C@H]1CCCc2ccccc21 ZINC000271453983 378494038 /nfs/dbraw/zinc/49/40/38/378494038.db2.gz VKHKPVBAISRZHM-SFHVURJKSA-N 0 1 297.398 3.264 20 10 CGCDMN CO[C@@H](C)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273600668 378756712 /nfs/dbraw/zinc/75/67/12/378756712.db2.gz RWBHMOHCIUGFFE-VHSXEESVSA-N 0 1 257.761 3.121 20 10 CGCDMN CCOc1cccc(CN2CCO[C@H](C(C)(C)C)C2)c1O ZINC000280454383 379709856 /nfs/dbraw/zinc/70/98/56/379709856.db2.gz LOEDBUWLIRJWTA-HNNXBMFYSA-N 0 1 293.407 3.038 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000364470692 382272028 /nfs/dbraw/zinc/27/20/28/382272028.db2.gz DDUSMNRAMIFHNT-UHFFFAOYSA-N 0 1 299.773 3.187 20 10 CGCDMN Cc1cc(O)c(CN2CCOc3cc(O)ccc3C2)cc1C ZINC000289685052 392428136 /nfs/dbraw/zinc/42/81/36/392428136.db2.gz OBDSLLURTJCZQV-UHFFFAOYSA-N 0 1 299.370 3.109 20 10 CGCDMN CSC[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000135471550 392474982 /nfs/dbraw/zinc/47/49/82/392474982.db2.gz SODSWDHEKVXGFR-ZDUSSCGKSA-N 0 1 297.395 3.061 20 10 CGCDMN CSC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000135471550 392474988 /nfs/dbraw/zinc/47/49/88/392474988.db2.gz SODSWDHEKVXGFR-ZDUSSCGKSA-N 0 1 297.395 3.061 20 10 CGCDMN COCCC1(C[NH2+]Cc2c([O-])cccc2Cl)CCC1 ZINC000151966763 261057764 /nfs/dbraw/zinc/05/77/64/261057764.db2.gz PXTSHVDZRFDHFK-UHFFFAOYSA-N 0 1 283.799 3.342 20 10 CGCDMN C[C@](O)(C[NH2+]Cc1c([O-])cccc1Cl)c1cccs1 ZINC000153010116 261072421 /nfs/dbraw/zinc/07/24/21/261072421.db2.gz DLBYAYVNCXKVKY-AWEZNQCLSA-N 0 1 297.807 3.104 20 10 CGCDMN CCC[C@@H](CCO)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185605358 262061808 /nfs/dbraw/zinc/06/18/08/262061808.db2.gz LSZWNNAUARPJBX-NEPJUHHUSA-N 0 1 285.815 3.495 20 10 CGCDMN COC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000186153359 262081664 /nfs/dbraw/zinc/08/16/64/262081664.db2.gz UZNHGQPEQKZDOV-ZANVPECISA-N 0 1 269.772 3.121 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000370720746 267341901 /nfs/dbraw/zinc/34/19/01/267341901.db2.gz ORGJUPXODGBZOW-ZDUSSCGKSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000370720746 267341902 /nfs/dbraw/zinc/34/19/02/267341902.db2.gz ORGJUPXODGBZOW-ZDUSSCGKSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000377195032 268055056 /nfs/dbraw/zinc/05/50/56/268055056.db2.gz CLAZEEINUWFCOZ-GHMZBOCLSA-N 0 1 299.773 3.043 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(Cl)c1[O-] ZINC000293630300 288046882 /nfs/dbraw/zinc/04/68/82/288046882.db2.gz KERSTGWBAOIVBC-FZMZJTMJSA-N 0 1 284.831 3.284 20 10 CGCDMN CC(C)[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273596464 280233785 /nfs/dbraw/zinc/23/37/85/280233785.db2.gz QVNKDWYDAFBCEW-MFKMUULPSA-N 0 1 271.788 3.103 20 10 CGCDMN Oc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000271138248 328195393 /nfs/dbraw/zinc/19/53/93/328195393.db2.gz VCXNQGOTMSONFL-NSHDSACASA-N 0 1 291.782 3.148 20 10 CGCDMN Cc1cccc(CN2CCCC[C@H]2c2cc[nH]n2)c1O ZINC000289562242 328255456 /nfs/dbraw/zinc/25/54/56/328255456.db2.gz RWCXUDIGCYQSSR-HNNXBMFYSA-N 0 1 271.364 3.151 20 10 CGCDMN CN(C)c1ccc(CN(Cc2cccnc2)C2CC2)cc1F ZINC000290504364 522172677 /nfs/dbraw/zinc/17/26/77/522172677.db2.gz PGZLSCRQNCSQDL-UHFFFAOYSA-N 0 1 299.393 3.451 20 10 CGCDMN COC[C@@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000045656363 522205669 /nfs/dbraw/zinc/20/56/69/522205669.db2.gz KGSZWCSBWMJYIW-STQMWFEESA-N 0 1 273.376 3.479 20 10 CGCDMN C[N@@H+](CCCCCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000279415496 522730181 /nfs/dbraw/zinc/73/01/81/522730181.db2.gz MONPYINXBSHIGJ-UHFFFAOYSA-N 0 1 292.206 3.293 20 10 CGCDMN C[C@H]([NH2+]C1CC(F)(F)C1)c1cc(Cl)ccc1[O-] ZINC000277089136 525286803 /nfs/dbraw/zinc/28/68/03/525286803.db2.gz KJPJAUNUPJWNLI-ZETCQYMHSA-N 0 1 261.699 3.494 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292807126 526325460 /nfs/dbraw/zinc/32/54/60/526325460.db2.gz OGTUXFJMDKCFLC-CQSZACIVSA-N 0 1 295.810 3.294 20 10 CGCDMN CC[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000727824427 571771553 /nfs/dbraw/zinc/77/15/53/571771553.db2.gz PFCBZRNTHKCSKQ-ZDUSSCGKSA-N 0 1 256.349 3.315 20 10 CGCDMN CC[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000727824427 571771556 /nfs/dbraw/zinc/77/15/56/571771556.db2.gz PFCBZRNTHKCSKQ-ZDUSSCGKSA-N 0 1 256.349 3.315 20 10 CGCDMN CC(C)OCCC[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000740856180 572461490 /nfs/dbraw/zinc/46/14/90/572461490.db2.gz AXCKCNCLVNGIFF-UHFFFAOYSA-N 0 1 288.391 3.187 20 10 CGCDMN CC(C)OCCC[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000740856180 572461494 /nfs/dbraw/zinc/46/14/94/572461494.db2.gz AXCKCNCLVNGIFF-UHFFFAOYSA-N 0 1 288.391 3.187 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000083552416 618009190 /nfs/dbraw/zinc/00/91/90/618009190.db2.gz SYAUCCZRFSUMEL-GFCCVEGCSA-N 0 1 273.763 3.475 20 10 CGCDMN COC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000307767196 618076554 /nfs/dbraw/zinc/07/65/54/618076554.db2.gz GINWBVYWQKPUFT-CYBMUJFWSA-N 0 1 299.798 3.055 20 10 CGCDMN Cc1ccc2c(c1)nc(CNCc1cc(F)ccc1O)n2C ZINC000187575395 618098545 /nfs/dbraw/zinc/09/85/45/618098545.db2.gz ZYYHPUPZIYUFPY-UHFFFAOYSA-N 0 1 299.349 3.016 20 10 CGCDMN Cc1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000051575261 618757494 /nfs/dbraw/zinc/75/74/94/618757494.db2.gz PHSGMZVTNMHJDC-AWEZNQCLSA-N 0 1 269.392 3.307 20 10 CGCDMN CC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179323433 618775898 /nfs/dbraw/zinc/77/58/98/618775898.db2.gz GRYQCGNJJGCPDR-QMMMGPOBSA-N 0 1 272.732 3.184 20 10 CGCDMN COc1cc(CN(C)Cc2scnc2C)c(O)cc1C ZINC000179443928 618785038 /nfs/dbraw/zinc/78/50/38/618785038.db2.gz RGCOTBCDWYSVKB-UHFFFAOYSA-N 0 1 292.404 3.106 20 10 CGCDMN CC[C@H]1CC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000310019117 619070615 /nfs/dbraw/zinc/07/06/15/619070615.db2.gz MIDSYXLVDCYSBA-JOYOIKCWSA-N 0 1 284.197 3.433 20 10 CGCDMN CC[C@H]1CC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000310019116 619070866 /nfs/dbraw/zinc/07/08/66/619070866.db2.gz MIDSYXLVDCYSBA-CABZTGNLSA-N 0 1 284.197 3.433 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H]1CCCN1C)c1cc(Cl)ccc1[O-] ZINC000775490676 619074824 /nfs/dbraw/zinc/07/48/24/619074824.db2.gz XCOQVHVLWXIFOW-TZMCWYRMSA-N 0 1 282.815 3.181 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+]C1CCCC1 ZINC000257868862 619183622 /nfs/dbraw/zinc/18/36/22/619183622.db2.gz ABWGBUAWKJHEQX-UHFFFAOYSA-N 0 1 270.170 3.187 20 10 CGCDMN CC[C@@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)[C@H](O)C(C)C ZINC000840969093 619293181 /nfs/dbraw/zinc/29/31/81/619293181.db2.gz YDFNQMYYAPZUCT-UKRRQHHQSA-N 0 1 285.815 3.239 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000894032535 619352961 /nfs/dbraw/zinc/35/29/61/619352961.db2.gz LOKOCUNFVIUNPN-UHFFFAOYSA-N 0 1 297.345 3.063 20 10 CGCDMN C[C@@H](C[N@@H+](C)Cc1cc(F)cc(F)c1[O-])c1nccs1 ZINC000894450023 619538785 /nfs/dbraw/zinc/53/87/85/619538785.db2.gz WTUVKCLBKNBEQJ-VIFPVBQESA-N 0 1 298.358 3.362 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCc2cccnc21 ZINC000895135489 619748033 /nfs/dbraw/zinc/74/80/33/619748033.db2.gz ABAJOKMSFIBWOE-ZDUSSCGKSA-N 0 1 274.751 3.218 20 10 CGCDMN C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000896577424 620029280 /nfs/dbraw/zinc/02/92/80/620029280.db2.gz KXNMKLZPSKAESZ-ZDUSSCGKSA-N 0 1 271.360 3.156 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000896577424 620029284 /nfs/dbraw/zinc/02/92/84/620029284.db2.gz KXNMKLZPSKAESZ-ZDUSSCGKSA-N 0 1 271.360 3.156 20 10 CGCDMN CCC(O)(CC)C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000862539815 620299423 /nfs/dbraw/zinc/29/94/23/620299423.db2.gz SIDNQOJXKSCWAT-UHFFFAOYSA-N 0 1 271.788 3.029 20 10 CGCDMN CCC(O)(CC)C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000862539815 620299426 /nfs/dbraw/zinc/29/94/26/620299426.db2.gz SIDNQOJXKSCWAT-UHFFFAOYSA-N 0 1 271.788 3.029 20 10 CGCDMN C[C@H]1CC2(CC([NH2+]Cc3c([O-])cccc3Cl)C2)CO1 ZINC000897779849 620430370 /nfs/dbraw/zinc/43/03/70/620430370.db2.gz CGQJSFFFUSLEOX-NLTNOIMHSA-N 0 1 281.783 3.093 20 10 CGCDMN CSCC(C)(C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000898305859 620509020 /nfs/dbraw/zinc/50/90/20/620509020.db2.gz VPKISMYOUDNNCO-UHFFFAOYSA-N 0 1 259.802 3.277 20 10 CGCDMN CCC[C@H](O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000927016067 620561828 /nfs/dbraw/zinc/56/18/28/620561828.db2.gz HNSPRHRJSMWCPV-JQWIXIFHSA-N 0 1 271.788 3.247 20 10 CGCDMN [O-]c1ccccc1C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898516173 620595449 /nfs/dbraw/zinc/59/54/49/620595449.db2.gz NNWOETNWCKNQIR-GDBMZVCRSA-N 0 1 275.392 3.031 20 10 CGCDMN [O-]c1ccccc1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898516173 620595455 /nfs/dbraw/zinc/59/54/55/620595455.db2.gz NNWOETNWCKNQIR-GDBMZVCRSA-N 0 1 275.392 3.031 20 10 CGCDMN CCC[N@@H+](CC)Cc1cc(Cl)cc(OC)c1O ZINC000228560988 623062846 /nfs/dbraw/zinc/06/28/46/623062846.db2.gz UUTWGHBYMSEYNV-UHFFFAOYSA-N 0 1 257.761 3.286 20 10 CGCDMN CCC[N@H+](CC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000228560988 623062854 /nfs/dbraw/zinc/06/28/54/623062854.db2.gz UUTWGHBYMSEYNV-UHFFFAOYSA-N 0 1 257.761 3.286 20 10 CGCDMN CCC[N@@H+](CC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000228560988 623062857 /nfs/dbraw/zinc/06/28/57/623062857.db2.gz UUTWGHBYMSEYNV-UHFFFAOYSA-N 0 1 257.761 3.286 20 10 CGCDMN Cc1cccc(CNC(C)(C)c2nccs2)c1O ZINC000182213276 624956555 /nfs/dbraw/zinc/95/65/55/624956555.db2.gz UCWUUQHPKNVLAX-UHFFFAOYSA-N 0 1 262.378 3.182 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2ccncc2Cl)c1 ZINC000182435187 625001150 /nfs/dbraw/zinc/00/11/50/625001150.db2.gz LDEAEMQFKURJHN-JTQLQIEISA-N 0 1 292.766 3.300 20 10 CGCDMN [O-]c1ccccc1C[N@@H+](CCC1(O)CCC1)C1CCCC1 ZINC000839491834 626355895 /nfs/dbraw/zinc/35/58/95/626355895.db2.gz MVODGWDZVFMFBN-UHFFFAOYSA-N 0 1 289.419 3.442 20 10 CGCDMN [O-]c1ccccc1C[N@H+](CCC1(O)CCC1)C1CCCC1 ZINC000839491834 626355898 /nfs/dbraw/zinc/35/58/98/626355898.db2.gz MVODGWDZVFMFBN-UHFFFAOYSA-N 0 1 289.419 3.442 20 10 CGCDMN Cc1csc([C@@H](C)NCc2cccc(C)c2O)n1 ZINC000124792273 634506919 /nfs/dbraw/zinc/50/69/19/634506919.db2.gz SDABCVZHOPBTEG-LLVKDONJSA-N 0 1 262.378 3.316 20 10 CGCDMN C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000756384719 626699236 /nfs/dbraw/zinc/69/92/36/626699236.db2.gz OFJJPMQTEMZKRC-RNCFNFMXSA-N 0 1 281.739 3.023 20 10 CGCDMN C[C@H]([NH2+]CC[C@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000756397998 626701414 /nfs/dbraw/zinc/70/14/14/626701414.db2.gz BDELCLBKNLMXTO-CMPLNLGQSA-N 0 1 269.772 3.265 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000756611584 626720455 /nfs/dbraw/zinc/72/04/55/626720455.db2.gz WNJLWYACMTZJIE-UHXUPSOCSA-N 0 1 293.382 3.220 20 10 CGCDMN CO[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000756836069 626736165 /nfs/dbraw/zinc/73/61/65/626736165.db2.gz SCVZXSCHKFEWAR-HQJQHLMTSA-N 0 1 297.704 3.274 20 10 CGCDMN CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000840823241 626760933 /nfs/dbraw/zinc/76/09/33/626760933.db2.gz YPTUNJIQOCJXDK-BHYNMZESSA-N 0 1 269.772 3.264 20 10 CGCDMN COc1cc(Cl)cc(C[N@@H+](C)Cc2cccn2C)c1O ZINC000761202856 627024683 /nfs/dbraw/zinc/02/46/83/627024683.db2.gz PSYDGSAHSVNPMC-UHFFFAOYSA-N 0 1 294.782 3.025 20 10 CGCDMN COc1cc(Cl)cc(CN(C)Cc2cccn2C)c1O ZINC000761202856 627024686 /nfs/dbraw/zinc/02/46/86/627024686.db2.gz PSYDGSAHSVNPMC-UHFFFAOYSA-N 0 1 294.782 3.025 20 10 CGCDMN CCCC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H](C)CC ZINC000768439075 627479805 /nfs/dbraw/zinc/47/98/05/627479805.db2.gz GNDQWMJXMPJTRB-BLLLJJGKSA-N 0 1 293.407 3.219 20 10 CGCDMN CCCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@@H](C)CC ZINC000768439075 627479808 /nfs/dbraw/zinc/47/98/08/627479808.db2.gz GNDQWMJXMPJTRB-BLLLJJGKSA-N 0 1 293.407 3.219 20 10 CGCDMN CCOc1ccc(C[N@H+](C)C(C2CC2)C2CC2)c([O-])c1 ZINC000769192708 627530599 /nfs/dbraw/zinc/53/05/99/627530599.db2.gz VTUBDWLCIGXXIW-UHFFFAOYSA-N 0 1 275.392 3.411 20 10 CGCDMN CCOc1ccc(C[N@@H+](C)C(C2CC2)C2CC2)c([O-])c1 ZINC000769192708 627530603 /nfs/dbraw/zinc/53/06/03/627530603.db2.gz VTUBDWLCIGXXIW-UHFFFAOYSA-N 0 1 275.392 3.411 20 10 CGCDMN CN(C)c1ccc(CN2CCC(C(F)F)CC2)cc1F ZINC000769446372 627552581 /nfs/dbraw/zinc/55/25/81/627552581.db2.gz MNLYDWWJARYPOH-UHFFFAOYSA-N 0 1 286.341 3.369 20 10 CGCDMN CCN(C)c1ccc(CN2CCOC3(CCCC3)C2)cc1 ZINC000773766703 627914003 /nfs/dbraw/zinc/91/40/03/627914003.db2.gz ULSKKSGRZLHDAL-UHFFFAOYSA-N 0 1 288.435 3.288 20 10 CGCDMN CC[C@H]([NH2+]CCCOC)c1cc(Cl)ccc1[O-] ZINC000775482956 628098884 /nfs/dbraw/zinc/09/88/84/628098884.db2.gz JGYMCMCRUUDFQT-LBPRGKRZSA-N 0 1 257.761 3.123 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000775552224 628105854 /nfs/dbraw/zinc/10/58/54/628105854.db2.gz SZNCUTKSGAMUNJ-KWBADKCTSA-N 0 1 271.788 3.246 20 10 CGCDMN Cc1nsc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000777505699 628276514 /nfs/dbraw/zinc/27/65/14/628276514.db2.gz VYSKHFGHVUSBES-UHFFFAOYSA-N 0 1 290.175 3.471 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1F ZINC000779151132 628391119 /nfs/dbraw/zinc/39/11/19/628391119.db2.gz VMKCGINIMAROHK-SKDRFNHKSA-N 0 1 257.736 3.226 20 10 CGCDMN CC(C)c1cc(CN[C@@H](C)c2ccccc2O)on1 ZINC000783510651 628719476 /nfs/dbraw/zinc/71/94/76/628719476.db2.gz QKUIWGFEGUUUTK-NSHDSACASA-N 0 1 260.337 3.354 20 10 CGCDMN Cc1cc(C)c(O)c(CN2CCc3ncsc3C2)c1 ZINC000783547610 628723663 /nfs/dbraw/zinc/72/36/63/628723663.db2.gz SNMLITHYQJJMFX-UHFFFAOYSA-N 0 1 274.389 3.024 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@H](C)[C@H](C)O1 ZINC000783737074 628743917 /nfs/dbraw/zinc/74/39/17/628743917.db2.gz JMVPHOGLARCYLX-BBBLOLIVSA-N 0 1 287.762 3.182 20 10 CGCDMN C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000785987199 628905762 /nfs/dbraw/zinc/90/57/62/628905762.db2.gz GCTGUIMZSWSXML-SUNKGSAMSA-N 0 1 283.799 3.027 20 10 CGCDMN CO[C@H](CC[NH2+]Cc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000786822809 628965070 /nfs/dbraw/zinc/96/50/70/628965070.db2.gz CWMRZBSUFLTPQE-LLVKDONJSA-N 0 1 297.704 3.103 20 10 CGCDMN Cc1cn[nH]c1CN(Cc1ccco1)Cc1ccccc1O ZINC000788839868 629085949 /nfs/dbraw/zinc/08/59/49/629085949.db2.gz FNEWIQQDKQZSHT-UHFFFAOYSA-N 0 1 297.358 3.219 20 10 CGCDMN CN(C)c1cc[nH+]c(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790241492 629196667 /nfs/dbraw/zinc/19/66/67/629196667.db2.gz VNQLQTSXQVBBDA-UHFFFAOYSA-N 0 1 295.745 3.258 20 10 CGCDMN CO[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862353848 629347350 /nfs/dbraw/zinc/34/73/50/629347350.db2.gz CAGIPUNHJGFAST-DGCLKSJQSA-N 0 1 298.377 3.030 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccns1 ZINC000862538685 629394457 /nfs/dbraw/zinc/39/44/57/629394457.db2.gz CNVPGQDIBNCVMX-GFCCVEGCSA-N 0 1 275.421 3.368 20 10 CGCDMN Oc1c(CNc2ccc3c(c2)CCOC3)ccc(F)c1F ZINC000864040145 629736006 /nfs/dbraw/zinc/73/60/06/629736006.db2.gz AANKGCKWAFPJMR-UHFFFAOYSA-N 0 1 291.297 3.355 20 10 CGCDMN Cn1nccc1CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000801919348 630366513 /nfs/dbraw/zinc/36/65/13/630366513.db2.gz DJAQLRKNZIMDIG-UHFFFAOYSA-N 0 1 299.418 3.113 20 10 CGCDMN Cn1nccc1CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000801919348 630366516 /nfs/dbraw/zinc/36/65/16/630366516.db2.gz DJAQLRKNZIMDIG-UHFFFAOYSA-N 0 1 299.418 3.113 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](CO)C(C)C)c1cc(Cl)ccc1[O-] ZINC000806170238 630553168 /nfs/dbraw/zinc/55/31/68/630553168.db2.gz XWVQCKAGGDOISB-BXUZGUMPSA-N 0 1 285.815 3.351 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000809729088 630793726 /nfs/dbraw/zinc/79/37/26/630793726.db2.gz QINJPNTZXKFJMY-OAHLLOKOSA-N 0 1 272.323 3.263 20 10 CGCDMN COc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1O ZINC000809739938 630796629 /nfs/dbraw/zinc/79/66/29/630796629.db2.gz GZWVXYGKXWYLKK-UHFFFAOYSA-N 0 1 293.750 3.050 20 10 CGCDMN CC[C@H](CO)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208526 630853710 /nfs/dbraw/zinc/85/37/10/630853710.db2.gz WJGWJLRDQFEYAT-PWSUYJOCSA-N 0 1 291.313 3.223 20 10 CGCDMN CCOCC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211332 630854587 /nfs/dbraw/zinc/85/45/87/630854587.db2.gz PRIGPAGLKDZAIJ-LBPRGKRZSA-N 0 1 291.313 3.488 20 10 CGCDMN Cc1cn[nH]c1CN1CCCc2cc(OC(F)F)ccc21 ZINC000811489820 631074591 /nfs/dbraw/zinc/07/45/91/631074591.db2.gz IANJKHFDLRFVFK-UHFFFAOYSA-N 0 1 293.317 3.272 20 10 CGCDMN CCc1cc(CN2CCO[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000813170604 631377108 /nfs/dbraw/zinc/37/71/08/631377108.db2.gz IURQCJQOOJDSQX-CYBMUJFWSA-N 0 1 291.435 3.473 20 10 CGCDMN Cc1cc(C)c([C@H](C)NCc2cscn2)c(O)c1 ZINC000815571780 631796568 /nfs/dbraw/zinc/79/65/68/631796568.db2.gz LZTWMVWYEIKNKQ-NSHDSACASA-N 0 1 262.378 3.316 20 10 CGCDMN CC(C)(C)C[C@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816551117 632009176 /nfs/dbraw/zinc/00/91/76/632009176.db2.gz PMFJBMRTPXYXTO-HNNXBMFYSA-N 0 1 287.403 3.432 20 10 CGCDMN C[N@H+](CCc1cnccn1)Cc1ccc2ccccc2c1[O-] ZINC000816565607 632014456 /nfs/dbraw/zinc/01/44/56/632014456.db2.gz VJXVUPNEAIBNFK-UHFFFAOYSA-N 0 1 293.370 3.010 20 10 CGCDMN C[N@@H+](CCc1cnccn1)Cc1ccc2ccccc2c1[O-] ZINC000816565607 632014465 /nfs/dbraw/zinc/01/44/65/632014465.db2.gz VJXVUPNEAIBNFK-UHFFFAOYSA-N 0 1 293.370 3.010 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H](C)OC ZINC000816617106 632025082 /nfs/dbraw/zinc/02/50/82/632025082.db2.gz OZVDTJJZTCMUEC-VIFPVBQESA-N 0 1 275.751 3.042 20 10 CGCDMN CO[C@](C)(C[NH2+]Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000816616002 632025500 /nfs/dbraw/zinc/02/55/00/632025500.db2.gz LZKHPKHSGWNEQY-GOSISDBHSA-N 0 1 285.387 3.450 20 10 CGCDMN Cc1cc(C[NH2+]Cc2c([O-])cccc2Cl)cc(C)n1 ZINC000817410074 632141606 /nfs/dbraw/zinc/14/16/06/632141606.db2.gz IXYLERWTCXQHFQ-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN CC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000817414961 632145704 /nfs/dbraw/zinc/14/57/04/632145704.db2.gz NIVLLRVEVZIPIF-OLZOCXBDSA-N 0 1 269.772 3.093 20 10 CGCDMN CCN[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817971145 632264045 /nfs/dbraw/zinc/26/40/45/632264045.db2.gz AZJROHCCHPILLH-BDAKNGLRSA-N 0 1 291.222 3.348 20 10 CGCDMN CC[C@@H](N)C[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817979563 632270255 /nfs/dbraw/zinc/27/02/55/632270255.db2.gz LWTVXWAKNVBQKD-BXKDBHETSA-N 0 1 291.222 3.477 20 10 CGCDMN Cc1ccc([C@@H](C)NCc2nn(C)cc2C(F)F)c(O)c1 ZINC000866564833 633197632 /nfs/dbraw/zinc/19/76/32/633197632.db2.gz CQIDGVIZOYYCCH-SNVBAGLBSA-N 0 1 295.333 3.223 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCCn2nccc21)c1cc(Cl)ccc1[O-] ZINC000866634772 633223629 /nfs/dbraw/zinc/22/36/29/633223629.db2.gz ULEDKCQDHXGARO-GWCFXTLKSA-N 0 1 291.782 3.428 20 10 CGCDMN CC[C@@H](NCc1c(O)ccc(Cl)c1F)C(F)F ZINC000824510349 633251448 /nfs/dbraw/zinc/25/14/48/633251448.db2.gz VHTCDKQZXSNDRB-MRVPVSSYSA-N 0 1 267.678 3.318 20 10 CGCDMN CC[C@@H](NCc1cc(Cl)cc(F)c1O)C(F)F ZINC000824510189 633252014 /nfs/dbraw/zinc/25/20/14/633252014.db2.gz SNSWCSOYXLNPBZ-SECBINFHSA-N 0 1 267.678 3.318 20 10 CGCDMN COC[C@@]1(C)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000824583189 633262458 /nfs/dbraw/zinc/26/24/58/633262458.db2.gz IXGVOMLWRZHPRZ-SFHVURJKSA-N 0 1 285.387 3.404 20 10 CGCDMN COC[C@@]1(C)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000824583189 633262459 /nfs/dbraw/zinc/26/24/59/633262459.db2.gz IXGVOMLWRZHPRZ-SFHVURJKSA-N 0 1 285.387 3.404 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000824820250 633296476 /nfs/dbraw/zinc/29/64/76/633296476.db2.gz BXDNWWGNODCJBE-XPTSAGLGSA-N 0 1 287.762 3.042 20 10 CGCDMN Cc1noc(C)c1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825138087 633331437 /nfs/dbraw/zinc/33/14/37/633331437.db2.gz GWNZIHKKCJSHQS-UHFFFAOYSA-N 0 1 280.755 3.249 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCC(C)(C)CO)cc1Cl ZINC000825297797 633343336 /nfs/dbraw/zinc/34/33/36/633343336.db2.gz NTVGTTQOIBSJHP-UHFFFAOYSA-N 0 1 285.815 3.242 20 10 CGCDMN COC(=O)CCCCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825903563 633388141 /nfs/dbraw/zinc/38/81/41/633388141.db2.gz KYVLJOYJOLHPQD-UHFFFAOYSA-N 0 1 299.798 3.177 20 10 CGCDMN COC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826036925 633399408 /nfs/dbraw/zinc/39/94/08/633399408.db2.gz RPDNEJZNTJWSID-HNNXBMFYSA-N 0 1 283.799 3.212 20 10 CGCDMN COC[C@@]1(C)CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000826036925 633399416 /nfs/dbraw/zinc/39/94/16/633399416.db2.gz RPDNEJZNTJWSID-HNNXBMFYSA-N 0 1 283.799 3.212 20 10 CGCDMN COC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000826036925 633399423 /nfs/dbraw/zinc/39/94/23/633399423.db2.gz RPDNEJZNTJWSID-HNNXBMFYSA-N 0 1 283.799 3.212 20 10 CGCDMN CCc1cccc(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c1O ZINC000827958154 633540221 /nfs/dbraw/zinc/54/02/21/633540221.db2.gz YYWWKRXFPICEEW-ZBEGNZNMSA-N 0 1 299.361 3.199 20 10 CGCDMN CCc1cccc(CN2C[C@@H](C)O[C@](C)(C(F)F)C2)c1O ZINC000827958150 633540424 /nfs/dbraw/zinc/54/04/24/633540424.db2.gz YYWWKRXFPICEEW-BZNIZROVSA-N 0 1 299.361 3.199 20 10 CGCDMN CC[C@H](NCc1nnc(C2CC2)s1)c1ccccc1O ZINC000828686934 633642338 /nfs/dbraw/zinc/64/23/38/633642338.db2.gz CBBCXLKTGIUIQF-LBPRGKRZSA-N 0 1 289.404 3.362 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000834588402 634192120 /nfs/dbraw/zinc/19/21/20/634192120.db2.gz BMSRWNLOXMBBNQ-XJKSGUPXSA-N 0 1 284.407 3.053 20 10 CGCDMN CC[C@H]([NH2+]CCC(C)(C)CO)c1cc(Cl)ccc1[O-] ZINC000834869912 634259913 /nfs/dbraw/zinc/25/99/13/634259913.db2.gz DMTVDJRPZOCYRY-ZDUSSCGKSA-N 0 1 285.815 3.495 20 10 CGCDMN C[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1cc(F)ccc1O ZINC000834893850 634271319 /nfs/dbraw/zinc/27/13/19/634271319.db2.gz HITZZAKFQWABOG-KWBADKCTSA-N 0 1 275.327 3.084 20 10 CGCDMN CCc1cc(CNC/C=C/c2ccc(N(C)C)cc2)on1 ZINC000835033311 634327640 /nfs/dbraw/zinc/32/76/40/634327640.db2.gz SFMRZOLCUSLFNB-AATRIKPKSA-N 0 1 285.391 3.106 20 10 CGCDMN CN(C)c1ccc(/C=C/CN(C)Cc2cccnc2)cc1 ZINC000835044530 634331273 /nfs/dbraw/zinc/33/12/73/634331273.db2.gz LKKRXNXWZDSLRN-FNORWQNLSA-N 0 1 281.403 3.293 20 10 CGCDMN CCc1nc(C)c(CNC/C=C/c2ccc(N(C)C)cc2)o1 ZINC000835055945 634340175 /nfs/dbraw/zinc/34/01/75/634340175.db2.gz QGWGDCUNRYNJEN-VOTSOKGWSA-N 0 1 299.418 3.414 20 10 CGCDMN C[C@H]1CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])O1 ZINC000835087999 634350409 /nfs/dbraw/zinc/35/04/09/634350409.db2.gz SGKGZWLURHQHPB-WFASDCNBSA-N 0 1 271.360 3.203 20 10 CGCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C(C1CC1)C1CC1 ZINC000876651569 634875910 /nfs/dbraw/zinc/87/59/10/634875910.db2.gz GEAFWCBCAHQNKL-UHFFFAOYSA-N 0 1 267.319 3.291 20 10 CGCDMN CCCO[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876720168 634885480 /nfs/dbraw/zinc/88/54/80/634885480.db2.gz CNOSWKLHUNTNIB-ZDUSSCGKSA-N 0 1 299.361 3.452 20 10 CGCDMN CC[C@@H](NCc1cnc(C)o1)c1ccc(N(C)C)cc1 ZINC000840799091 635053881 /nfs/dbraw/zinc/05/38/81/635053881.db2.gz YLQQPESTBATUNU-MRXNPFEDSA-N 0 1 273.380 3.290 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)N[C@H](C)c2ccn(C)n2)c1O ZINC000840815891 635057517 /nfs/dbraw/zinc/05/75/17/635057517.db2.gz QQLAVYFFXPSXKZ-GHMZBOCLSA-N 0 1 293.798 3.499 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCCO2)c(Cl)c1 ZINC000840884346 635074745 /nfs/dbraw/zinc/07/47/45/635074745.db2.gz KQOZCXYIBLBEFV-NSHDSACASA-N 0 1 269.772 3.013 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000840916229 635080887 /nfs/dbraw/zinc/08/08/87/635080887.db2.gz HXUGPPRGWJMQBT-STQMWFEESA-N 0 1 295.810 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000840916229 635080892 /nfs/dbraw/zinc/08/08/92/635080892.db2.gz HXUGPPRGWJMQBT-STQMWFEESA-N 0 1 295.810 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H]2CCCCO2)c(Cl)c1 ZINC000840911574 635081207 /nfs/dbraw/zinc/08/12/07/635081207.db2.gz HYSONHNDCUIPNZ-LBPRGKRZSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCCCO2)c(Cl)c1 ZINC000840911574 635081208 /nfs/dbraw/zinc/08/12/08/635081208.db2.gz HYSONHNDCUIPNZ-LBPRGKRZSA-N 0 1 283.799 3.355 20 10 CGCDMN CO[C@@H]1C[N@H+](Cc2c([O-])cc(C)cc2Cl)CC[C@@H]1C ZINC000840940128 635087327 /nfs/dbraw/zinc/08/73/27/635087327.db2.gz UWZFFLCAGZHEMN-XHDPSFHLSA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@@H]1C[N@@H+](Cc2c([O-])cc(C)cc2Cl)CC[C@@H]1C ZINC000840940128 635087331 /nfs/dbraw/zinc/08/73/31/635087331.db2.gz UWZFFLCAGZHEMN-XHDPSFHLSA-N 0 1 283.799 3.211 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)c(Cl)c1 ZINC000840952523 635092055 /nfs/dbraw/zinc/09/20/55/635092055.db2.gz CURFTLGRUIUSGC-TXEJJXNPSA-N 0 1 283.799 3.400 20 10 CGCDMN CC[C@H]([NH2+]Cc1ccc2ccccc2c1[O-])[C@H](O)C(C)C ZINC000840968205 635095760 /nfs/dbraw/zinc/09/57/60/635095760.db2.gz OSDYYRFLQJZDJG-DLBZAZTESA-N 0 1 287.403 3.431 20 10 CGCDMN Cc1cc(CN[C@H](C)Cc2ccc(N(C)C)cc2C)no1 ZINC000840976591 635098764 /nfs/dbraw/zinc/09/87/64/635098764.db2.gz OMLPZSWPTTYGGT-CYBMUJFWSA-N 0 1 287.407 3.078 20 10 CGCDMN Cc1ncc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])c(C)n1 ZINC000877612076 635112784 /nfs/dbraw/zinc/11/27/84/635112784.db2.gz CIPGTBVOTHQAIC-VIFPVBQESA-N 0 1 291.782 3.303 20 10 CGCDMN COc1cccc(C)c1CN1Cc2cccc(O)c2C1 ZINC000877703069 635155169 /nfs/dbraw/zinc/15/51/69/635155169.db2.gz PYLDLFUTWAJSOD-UHFFFAOYSA-N 0 1 269.344 3.225 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877737326 635171559 /nfs/dbraw/zinc/17/15/59/635171559.db2.gz FMJCLIUINTUSIS-CMPLNLGQSA-N 0 1 283.824 3.231 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877737326 635171561 /nfs/dbraw/zinc/17/15/61/635171561.db2.gz FMJCLIUINTUSIS-CMPLNLGQSA-N 0 1 283.824 3.231 20 10 CGCDMN CCc1nn(C)c(Cl)c1CN[C@H](C)c1ccccc1O ZINC000877756558 635185702 /nfs/dbraw/zinc/18/57/02/635185702.db2.gz RSPYAKYGUYMFNL-SNVBAGLBSA-N 0 1 293.798 3.192 20 10 CGCDMN Cc1ccc(CNCc2ncc(Cl)s2)c(O)c1 ZINC000877806254 635209472 /nfs/dbraw/zinc/20/94/72/635209472.db2.gz IIZZVLJMMIVZFZ-UHFFFAOYSA-N 0 1 268.769 3.100 20 10 CGCDMN CCN(CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(C)C ZINC000841748042 635223788 /nfs/dbraw/zinc/22/37/88/635223788.db2.gz VMLUIHVLSIVMBW-GFCCVEGCSA-N 0 1 284.831 3.427 20 10 CGCDMN C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(Cl)cc1[O-] ZINC000841754251 635228163 /nfs/dbraw/zinc/22/81/63/635228163.db2.gz JLRGUPPWPBHWJU-SNVBAGLBSA-N 0 1 264.756 3.235 20 10 CGCDMN CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757201 635231054 /nfs/dbraw/zinc/23/10/54/635231054.db2.gz BUZGFHGZCDUIOV-YGRLFVJLSA-N 0 1 271.788 3.103 20 10 CGCDMN C[C@@H]([NH2+]CCc1cscn1)c1ccc(Cl)cc1[O-] ZINC000841757387 635231772 /nfs/dbraw/zinc/23/17/72/635231772.db2.gz GBWZMBWNJWEJRB-SECBINFHSA-N 0 1 282.796 3.395 20 10 CGCDMN COCC1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000842222078 635312176 /nfs/dbraw/zinc/31/21/76/635312176.db2.gz DBOOXYHYLJKTNT-UHFFFAOYSA-N 0 1 283.799 3.340 20 10 CGCDMN C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1cc(Cl)ccc1[O-] ZINC000842896167 635508931 /nfs/dbraw/zinc/50/89/31/635508931.db2.gz USVFWGJVMQMRSH-LLVKDONJSA-N 0 1 291.778 3.389 20 10 CGCDMN CC[N@@H+](CCSC)Cc1c([O-])ccc(Cl)c1F ZINC000843437737 635676327 /nfs/dbraw/zinc/67/63/27/635676327.db2.gz VQMGATIGHUVEJO-UHFFFAOYSA-N 0 1 277.792 3.370 20 10 CGCDMN C[C@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCCS1 ZINC000127896525 635823868 /nfs/dbraw/zinc/82/38/68/635823868.db2.gz PHXRGYCVJVWOHW-CYBMUJFWSA-N 0 1 271.813 3.421 20 10 CGCDMN C[NH+](C)Cc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000882908107 636456706 /nfs/dbraw/zinc/45/67/06/636456706.db2.gz DCOKAXVNULHQAN-UHFFFAOYSA-N 0 1 292.329 3.344 20 10 CGCDMN C[C@@H]([NH2+]CCc1ccns1)c1cc(Cl)ccc1[O-] ZINC000883247614 636617003 /nfs/dbraw/zinc/61/70/03/636617003.db2.gz QMVZIZIQTQDHJP-SECBINFHSA-N 0 1 282.796 3.395 20 10 CGCDMN CN(Cc1ccccc1O)Cc1ccc(F)cc1F ZINC000084862576 636767824 /nfs/dbraw/zinc/76/78/24/636767824.db2.gz REYXZGRILVXEJE-UHFFFAOYSA-N 0 1 263.287 3.302 20 10 CGCDMN CCOC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000132462787 636809854 /nfs/dbraw/zinc/80/98/54/636809854.db2.gz RPJVWQLZNRQFFX-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCc1ccco1 ZINC000850407444 637050511 /nfs/dbraw/zinc/05/05/11/637050511.db2.gz INMFJUOCMHWOJR-UHFFFAOYSA-N 0 1 265.740 3.361 20 10 CGCDMN C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000850526827 637105579 /nfs/dbraw/zinc/10/55/79/637105579.db2.gz XEDFNEQUBXHOOG-ZYHUDNBSSA-N 0 1 281.783 3.408 20 10 CGCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1nccn1C ZINC000850573163 637129584 /nfs/dbraw/zinc/12/95/84/637129584.db2.gz VMUFLOXIQBYDTL-UWVGGRQHSA-N 0 1 279.771 3.191 20 10 CGCDMN C[C@@H](N[C@H](C)c1cc(Cl)ccc1O)c1nccn1C ZINC000850572191 637129982 /nfs/dbraw/zinc/12/99/82/637129982.db2.gz HXHUAWZHMVRBLJ-NXEZZACHSA-N 0 1 279.771 3.191 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C)CC2)c1[O-] ZINC000110806762 637702874 /nfs/dbraw/zinc/70/28/74/637702874.db2.gz VVSNNLHECGCTCD-LLVKDONJSA-N 0 1 279.355 3.356 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)CNC)c1cc(Cl)cc(Cl)c1[O-] ZINC000854231115 638029129 /nfs/dbraw/zinc/02/91/29/638029129.db2.gz DUPHHXARWLQTDT-UFBFGSQYSA-N 0 1 291.222 3.348 20 10 CGCDMN CN(C)c1cc(F)c(CNCCOC2CCCC2)cc1F ZINC000858118203 638636368 /nfs/dbraw/zinc/63/63/68/638636368.db2.gz RQZDRWRUZWBGRY-UHFFFAOYSA-N 0 1 298.377 3.080 20 10 CGCDMN Cc1cc(CNCc2cc(F)c(N(C)C)cc2F)ccn1 ZINC000858171807 638649470 /nfs/dbraw/zinc/64/94/70/638649470.db2.gz VFNPHOVXRUTEMW-UHFFFAOYSA-N 0 1 291.345 3.024 20 10 CGCDMN CCCN(Cc1ccccc1O)[C@H](C)C(=O)OC(C)(C)C ZINC000076074246 640173170 /nfs/dbraw/zinc/17/31/70/640173170.db2.gz ZENIXDDPHVIVBK-CYBMUJFWSA-N 0 1 293.407 3.334 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]([C@@H](C)C2CC2)C2CC2)c1[O-] ZINC000079399284 640399605 /nfs/dbraw/zinc/39/96/05/640399605.db2.gz ZTDBNQARYBRPRA-JTQLQIEISA-N 0 1 291.366 3.497 20 10 CGCDMN CC[C@@H](NCc1cccc(OC)c1O)c1nccs1 ZINC000080260288 640458797 /nfs/dbraw/zinc/45/87/97/640458797.db2.gz QJUZQZBTESFXRT-LLVKDONJSA-N 0 1 278.377 3.098 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2cc(Cl)cn2C)cc1 ZINC000091930509 640727533 /nfs/dbraw/zinc/72/75/33/640727533.db2.gz YMRCXSFHDDTVEA-UHFFFAOYSA-N 0 1 291.826 3.377 20 10 CGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC3(CCC3)C2)c1[O-] ZINC000093455846 640772227 /nfs/dbraw/zinc/77/22/27/640772227.db2.gz QRNVXZSOIUQQGA-UHFFFAOYSA-N 0 1 296.754 3.330 20 10 CGCDMN CCN(CC)c1ccc(CN2CCOCC23CCC3)cc1 ZINC000093510686 640774408 /nfs/dbraw/zinc/77/44/08/640774408.db2.gz PETIZMJCLJDERN-UHFFFAOYSA-N 0 1 288.435 3.288 20 10 CGCDMN C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000305712692 640899810 /nfs/dbraw/zinc/89/98/10/640899810.db2.gz GFBSHISFCDLRQG-HZMBPMFUSA-N 0 1 295.766 3.240 20 10 CGCDMN CC(C)C[N@@H+](CCN(C)C)Cc1cccc(Cl)c1[O-] ZINC000160204532 799075592 /nfs/dbraw/zinc/07/55/92/799075592.db2.gz LZALYYOODPIQPU-UHFFFAOYSA-N 0 1 284.831 3.065 20 10 CGCDMN CS[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000381540225 799382110 /nfs/dbraw/zinc/38/21/10/799382110.db2.gz HKCGLTNZXXEKQI-CMPLNLGQSA-N 0 1 257.786 3.029 20 10 CGCDMN CC(C)OCCC[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000382823233 799398773 /nfs/dbraw/zinc/39/87/73/799398773.db2.gz YYEBDYTWSMKCMX-UHFFFAOYSA-N 0 1 271.788 3.293 20 10 CGCDMN CC(C)OCCC[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000382823233 799398778 /nfs/dbraw/zinc/39/87/78/799398778.db2.gz YYEBDYTWSMKCMX-UHFFFAOYSA-N 0 1 271.788 3.293 20 10 CGCDMN CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000394095776 799494468 /nfs/dbraw/zinc/49/44/68/799494468.db2.gz QSUYPKXLDOGIMH-HIFRSBDPSA-N 0 1 287.403 3.461 20 10 CGCDMN CC/C=C\C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000395186950 799503399 /nfs/dbraw/zinc/50/33/99/799503399.db2.gz VBHASVOMBHZSHS-ARJAWSKDSA-N 0 1 270.170 3.211 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CS1 ZINC000397897086 799523531 /nfs/dbraw/zinc/52/35/31/799523531.db2.gz ROLIAEZVEZQSKX-RKDXNWHRSA-N 0 1 257.786 3.029 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+]C(C1CC1)C1CC1 ZINC000691477506 799785698 /nfs/dbraw/zinc/78/56/98/799785698.db2.gz TUPGXILHDQWDFK-UHFFFAOYSA-N 0 1 296.208 3.433 20 10 CGCDMN CC[C@H](C)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000691734008 799786819 /nfs/dbraw/zinc/78/68/19/799786819.db2.gz LZCWWXRGJWDXFS-VIFPVBQESA-N 0 1 272.186 3.385 20 10 CGCDMN CC[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000691734008 799786821 /nfs/dbraw/zinc/78/68/21/799786821.db2.gz LZCWWXRGJWDXFS-VIFPVBQESA-N 0 1 272.186 3.385 20 10 CGCDMN C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1(F)F ZINC000701803462 799895491 /nfs/dbraw/zinc/89/54/91/799895491.db2.gz OKAYCYUFIDEUHH-LLVKDONJSA-N 0 1 261.699 3.181 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H](C)C2)c1[O-] ZINC000703271376 799922158 /nfs/dbraw/zinc/92/21/58/799922158.db2.gz CNAQBLNHZUNBQI-NSHDSACASA-N 0 1 279.355 3.356 20 10 CGCDMN [O-]c1c(C[N@H+]2CCCC(F)(F)CC2)ccc(F)c1F ZINC000703501945 799924005 /nfs/dbraw/zinc/92/40/05/799924005.db2.gz LWOUPWSIPLZFDC-UHFFFAOYSA-N 0 1 277.261 3.292 20 10 CGCDMN CCCO[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000706217050 799959598 /nfs/dbraw/zinc/95/95/98/799959598.db2.gz QAHOBPHRYXRJRB-LLVKDONJSA-N 0 1 269.772 3.047 20 10 CGCDMN CCCO[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000706217050 799959602 /nfs/dbraw/zinc/95/96/02/799959602.db2.gz QAHOBPHRYXRJRB-LLVKDONJSA-N 0 1 269.772 3.047 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715701656 800145085 /nfs/dbraw/zinc/14/50/85/800145085.db2.gz GGZDQVYIVVYXSM-MRVPVSSYSA-N 0 1 288.160 3.136 20 10 CGCDMN COc1ccc(CN[C@H](C)c2ccns2)cc1C ZINC000715966381 800156221 /nfs/dbraw/zinc/15/62/21/800156221.db2.gz OKCBORHFQWZDAW-LLVKDONJSA-N 0 1 262.378 3.311 20 10 CGCDMN CCc1cccc(CNCc2nc(C)c(C)s2)c1O ZINC000719527811 800240711 /nfs/dbraw/zinc/24/07/11/800240711.db2.gz NDHHXGZNCGRINQ-UHFFFAOYSA-N 0 1 276.405 3.318 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725125938 800375726 /nfs/dbraw/zinc/37/57/26/800375726.db2.gz OAGWCZLRJPXOPD-AWEZNQCLSA-N 0 1 283.799 3.076 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1C=CCCC1 ZINC001118801034 802605044 /nfs/dbraw/zinc/60/50/44/802605044.db2.gz LGIFYHZAZXOGLC-JTQLQIEISA-N 0 1 282.181 3.353 20 10 CGCDMN CO[C@@H]1CC=C(c2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001243817296 803028661 /nfs/dbraw/zinc/02/86/61/803028661.db2.gz WPXTYHDEKYRJDX-GOSISDBHSA-N 0 1 286.419 3.021 20 10 CGCDMN Cc1csc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001137160120 803691334 /nfs/dbraw/zinc/69/13/34/803691334.db2.gz SAPABMSVICDNTK-UHFFFAOYSA-N 0 1 289.400 3.416 20 10 CGCDMN Cc1csc(CN2CCCc3cc(O)c(O)cc3C2)c1 ZINC001137160120 803691336 /nfs/dbraw/zinc/69/13/36/803691336.db2.gz SAPABMSVICDNTK-UHFFFAOYSA-N 0 1 289.400 3.416 20 10 CGCDMN C[N@H+](Cc1c([O-])cccc1F)CC1CC(F)(F)C1 ZINC001137838586 803780598 /nfs/dbraw/zinc/78/05/98/803780598.db2.gz DLRWLTPBCDJSFK-UHFFFAOYSA-N 0 1 259.271 3.008 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001138122664 803861008 /nfs/dbraw/zinc/86/10/08/803861008.db2.gz SPVXHYWAOXMNHV-LLVKDONJSA-N 0 1 277.261 3.101 20 10 CGCDMN O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138131010 803865602 /nfs/dbraw/zinc/86/56/02/803865602.db2.gz NGTGQQURKQBKNK-OAHLLOKOSA-N 0 1 299.345 3.236 20 10 CGCDMN Cc1cc(CN2CC3(C2)C[C@H](F)CS3)ccc1N(C)C ZINC001139673834 804247743 /nfs/dbraw/zinc/24/77/43/804247743.db2.gz LDZBXZQPOSTUSV-AWEZNQCLSA-N 0 1 294.439 3.090 20 10 CGCDMN Oc1ccc(F)cc1CN(Cc1ccco1)C1CC1 ZINC001140058459 804365238 /nfs/dbraw/zinc/36/52/38/804365238.db2.gz AQYMANLJFMCJCO-UHFFFAOYSA-N 0 1 261.296 3.289 20 10 CGCDMN COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC001140341450 804419650 /nfs/dbraw/zinc/41/96/50/804419650.db2.gz ONWVWBPJCIMQJF-AWEZNQCLSA-N 0 1 283.799 3.435 20 10 CGCDMN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC001140341450 804419651 /nfs/dbraw/zinc/41/96/51/804419651.db2.gz ONWVWBPJCIMQJF-AWEZNQCLSA-N 0 1 283.799 3.435 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+](CC1CC1)C1CC1 ZINC001140464488 804441149 /nfs/dbraw/zinc/44/11/49/804441149.db2.gz RSWROARGGKZXIU-UHFFFAOYSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+](CC1CC1)C1CC1 ZINC001140464488 804441151 /nfs/dbraw/zinc/44/11/51/804441151.db2.gz RSWROARGGKZXIU-UHFFFAOYSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001140466955 804442603 /nfs/dbraw/zinc/44/26/03/804442603.db2.gz NNNRITXERLJHRW-VIFPVBQESA-N 0 1 279.689 3.430 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001140466955 804442608 /nfs/dbraw/zinc/44/26/08/804442608.db2.gz NNNRITXERLJHRW-VIFPVBQESA-N 0 1 279.689 3.430 20 10 CGCDMN 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ZINC000294136401 372591699 /nfs/dbraw/zinc/59/16/99/372591699.db2.gz USYPTYWDMAXUMY-MRXNPFEDSA-N 0 1 297.826 3.276 20 10 CGCDMN CC(C)[C@]1(CO)CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000294136401 372591703 /nfs/dbraw/zinc/59/17/03/372591703.db2.gz USYPTYWDMAXUMY-MRXNPFEDSA-N 0 1 297.826 3.276 20 10 CGCDMN CC(C)[C@]1(CO)CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000294136401 372591710 /nfs/dbraw/zinc/59/17/10/372591710.db2.gz USYPTYWDMAXUMY-MRXNPFEDSA-N 0 1 297.826 3.276 20 10 CGCDMN Cc1nccnc1CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000295011198 372686570 /nfs/dbraw/zinc/68/65/70/372686570.db2.gz MTPIYDHTMMYVRR-SNVBAGLBSA-N 0 1 291.782 3.037 20 10 CGCDMN COc1ccc(F)c(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000295253072 372717357 /nfs/dbraw/zinc/71/73/57/372717357.db2.gz GEGUZPZLALOPEF-UHFFFAOYSA-N 0 1 275.323 3.172 20 10 CGCDMN CO[C@H](C)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000182022131 374204620 /nfs/dbraw/zinc/20/46/20/374204620.db2.gz OIPRGPCFIXYCOM-OAHLLOKOSA-N 0 1 276.424 3.144 20 10 CGCDMN CC[C@H](NCc1ccc2c(c1)CCCN2C)c1nccn1C ZINC000182684940 374315218 /nfs/dbraw/zinc/31/52/18/374315218.db2.gz VOFREIXQSICBAQ-INIZCTEOSA-N 0 1 298.434 3.043 20 10 CGCDMN CCN(CC)c1ccc(CN[C@H](C)c2cn[nH]c2)cc1F ZINC000270234274 378325679 /nfs/dbraw/zinc/32/56/79/378325679.db2.gz RCKNYXVYLDNCNO-GFCCVEGCSA-N 0 1 290.386 3.246 20 10 CGCDMN COC1(C)CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000272320607 378611803 /nfs/dbraw/zinc/61/18/03/378611803.db2.gz ANYBSLZCXPIIPN-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000373179472 379234624 /nfs/dbraw/zinc/23/46/24/379234624.db2.gz ZTJIIKWIPSTQAR-SFHVURJKSA-N 0 1 298.434 3.132 20 10 CGCDMN COc1cc(Cl)cc(CN(C)Cc2ccco2)c1O ZINC000184674757 262026207 /nfs/dbraw/zinc/02/62/07/262026207.db2.gz VZVIZQFCAUBOPL-UHFFFAOYSA-N 0 1 281.739 3.279 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000364061975 382262023 /nfs/dbraw/zinc/26/20/23/382262023.db2.gz FKXRUSCVLZFQPA-UHFFFAOYSA-N 0 1 281.783 3.094 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000185190821 262045273 /nfs/dbraw/zinc/04/52/73/262045273.db2.gz YQNXEEDYQKIODF-YGRLFVJLSA-N 0 1 285.815 3.493 20 10 CGCDMN Cc1ccc(O)c(CN2CCn3cccc3[C@H]2C)c1 ZINC000179568254 392704032 /nfs/dbraw/zinc/70/40/32/392704032.db2.gz MZAVVPZUMQHOTP-CYBMUJFWSA-N 0 1 256.349 3.079 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])CC1(C)C ZINC000295013463 286059209 /nfs/dbraw/zinc/05/92/09/286059209.db2.gz MITYPNIEIOMFHT-ZDUSSCGKSA-N 0 1 283.799 3.293 20 10 CGCDMN CC[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000037328875 173129825 /nfs/dbraw/zinc/12/98/25/173129825.db2.gz CREZWANYNBYZPR-LBPRGKRZSA-N 0 1 279.355 3.356 20 10 CGCDMN CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000037328875 173129827 /nfs/dbraw/zinc/12/98/27/173129827.db2.gz CREZWANYNBYZPR-LBPRGKRZSA-N 0 1 279.355 3.356 20 10 CGCDMN Fc1ccccc1CNCc1ccc2c(c1)CCO2 ZINC000037362661 173151849 /nfs/dbraw/zinc/15/18/49/173151849.db2.gz VADAPOQXELAMOC-UHFFFAOYSA-N 0 1 257.308 3.050 20 10 CGCDMN CCc1noc(CC)c1C[NH2+]Cc1c([O-])cccc1Cl ZINC000152800208 261069471 /nfs/dbraw/zinc/06/94/71/261069471.db2.gz XYVZLXOFSBTZJT-UHFFFAOYSA-N 0 1 294.782 3.448 20 10 CGCDMN CCc1noc(CC)c1CNCc1c(O)cccc1Cl ZINC000152800208 261069473 /nfs/dbraw/zinc/06/94/73/261069473.db2.gz XYVZLXOFSBTZJT-UHFFFAOYSA-N 0 1 294.782 3.448 20 10 CGCDMN CCC(O)(CC)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185231352 262046929 /nfs/dbraw/zinc/04/69/29/262046929.db2.gz MIVPKHORZUXEON-SNVBAGLBSA-N 0 1 271.788 3.247 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000186798175 262324323 /nfs/dbraw/zinc/32/43/23/262324323.db2.gz DXUPSTFYOZFZQZ-JCURWCKSSA-N 0 1 285.387 3.500 20 10 CGCDMN CCOC1CC2(C1)CC[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000368037472 267139769 /nfs/dbraw/zinc/13/97/69/267139769.db2.gz NARHNYCAPXLIRV-UHFFFAOYSA-N 0 1 295.810 3.437 20 10 CGCDMN CCOC1CC2(C1)CC[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000368037472 267139772 /nfs/dbraw/zinc/13/97/72/267139772.db2.gz NARHNYCAPXLIRV-UHFFFAOYSA-N 0 1 295.810 3.437 20 10 CGCDMN CN(C)c1ccc(CN(Cc2ccccn2)C2CC2)cc1F ZINC000290665296 522174069 /nfs/dbraw/zinc/17/40/69/522174069.db2.gz ZZHZNAOFDLUPMX-UHFFFAOYSA-N 0 1 299.393 3.451 20 10 CGCDMN COc1ccc(F)cc1CN(C)Cc1ccccc1O ZINC000264626247 524308459 /nfs/dbraw/zinc/30/84/59/524308459.db2.gz SSEPRIXHQFYUHX-UHFFFAOYSA-N 0 1 275.323 3.172 20 10 CGCDMN Cc1ccc([C@H](O)C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113326215 525977293 /nfs/dbraw/zinc/97/72/93/525977293.db2.gz ZGFGKCBEKCIYPS-MRXNPFEDSA-N 0 1 291.778 3.177 20 10 CGCDMN C[C@@H]1C[C@@H](C)[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000740857872 571885579 /nfs/dbraw/zinc/88/55/79/571885579.db2.gz BAKBAWYDGXENMS-VXGBXAGGSA-N 0 1 256.349 3.171 20 10 CGCDMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000740857872 571885582 /nfs/dbraw/zinc/88/55/82/571885582.db2.gz BAKBAWYDGXENMS-VXGBXAGGSA-N 0 1 256.349 3.171 20 10 CGCDMN CC[N@@H+](Cc1c([O-])ccc2ccncc21)CC1CC1 ZINC000732662872 572476947 /nfs/dbraw/zinc/47/69/47/572476947.db2.gz BJJSILADPLJNGB-UHFFFAOYSA-N 0 1 256.349 3.172 20 10 CGCDMN CC[N@H+](Cc1c([O-])ccc2ccncc21)CC1CC1 ZINC000732662872 572476953 /nfs/dbraw/zinc/47/69/53/572476953.db2.gz BJJSILADPLJNGB-UHFFFAOYSA-N 0 1 256.349 3.172 20 10 CGCDMN C[C@H]1C[NH+](Cc2c([O-])ccc3ccncc32)C[C@H](C)S1 ZINC000743376732 572655670 /nfs/dbraw/zinc/65/56/70/572655670.db2.gz URHIAXFXNRBJDA-RYUDHWBXSA-N 0 1 288.416 3.266 20 10 CGCDMN Cc1ccncc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000746336345 572866875 /nfs/dbraw/zinc/86/68/75/572866875.db2.gz YMWYINTVLGJWOC-UHFFFAOYSA-N 0 1 269.392 3.088 20 10 CGCDMN O=C([O-])C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000316592990 597046465 /nfs/dbraw/zinc/04/64/65/597046465.db2.gz UDMVIHWTAYRKNW-ZDUSSCGKSA-N 0 1 299.370 3.232 20 10 CGCDMN CC(C)c1nc(CSc2ncc(Cl)s2)n[nH]1 ZINC000850000037 618752684 /nfs/dbraw/zinc/75/26/84/618752684.db2.gz HGQNARUUVKMKOQ-UHFFFAOYSA-N 0 1 274.802 3.330 20 10 CGCDMN Cc1ccc(CNCc2ccc(N(C)C)cc2)nc1C ZINC000314782161 619236519 /nfs/dbraw/zinc/23/65/19/619236519.db2.gz MGNCZOHTAZSZCO-UHFFFAOYSA-N 0 1 269.392 3.054 20 10 CGCDMN [O-]c1c(C[NH2+][C@H]2CCC[C@@H](CO)C2)ccc2ccccc21 ZINC000840980379 619310883 /nfs/dbraw/zinc/31/08/83/619310883.db2.gz YHQGITYQHFQEFQ-CJNGLKHVSA-N 0 1 285.387 3.186 20 10 CGCDMN COc1cc(C)cc(CN[C@H](C)c2ncc(C)s2)c1O ZINC000894323824 619491480 /nfs/dbraw/zinc/49/14/80/619491480.db2.gz PHILBTKRYKBQQS-LLVKDONJSA-N 0 1 292.404 3.325 20 10 CGCDMN Cc1cc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)on1 ZINC000185357358 625351163 /nfs/dbraw/zinc/35/11/63/625351163.db2.gz QDSGWAQGEDWLAB-LBPRGKRZSA-N 0 1 286.375 3.418 20 10 CGCDMN CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185615563 625397350 /nfs/dbraw/zinc/39/73/50/625397350.db2.gz JHYKVZYRFQHLGY-OLZOCXBDSA-N 0 1 283.387 3.227 20 10 CGCDMN Cc1noc(C)c1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000073007069 625405274 /nfs/dbraw/zinc/40/52/74/625405274.db2.gz UQIBXRASMNSGKU-SNVBAGLBSA-N 0 1 272.348 3.077 20 10 CGCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CC1(C)C ZINC000864050667 620359423 /nfs/dbraw/zinc/35/94/23/620359423.db2.gz MYNJGTDUGDUXAI-JTQLQIEISA-N 0 1 255.308 3.148 20 10 CGCDMN C[C@H](Cc1cccnc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000897969016 620459066 /nfs/dbraw/zinc/45/90/66/620459066.db2.gz BYTVWTZFSGWOBX-LLVKDONJSA-N 0 1 276.767 3.161 20 10 CGCDMN CC[C@@H](NCc1csc(N)n1)c1ccc(N(C)C)cc1 ZINC000902488587 621356212 /nfs/dbraw/zinc/35/62/12/621356212.db2.gz HOMWAKMACOXQTQ-CQSZACIVSA-N 0 1 290.436 3.032 20 10 CGCDMN C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc2ccccc2c1[O-] ZINC000903288000 621670786 /nfs/dbraw/zinc/67/07/86/621670786.db2.gz UZXYFNMTYPKTFV-FPQFGWEOSA-N 0 1 295.382 3.372 20 10 CGCDMN CCC(CC)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163752582 622800142 /nfs/dbraw/zinc/80/01/42/622800142.db2.gz NSJIEFZOLBVTSU-UHFFFAOYSA-N 0 1 272.186 3.433 20 10 CGCDMN C[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC000163760293 622800524 /nfs/dbraw/zinc/80/05/24/622800524.db2.gz PPYQAWLIWQUEGP-VIFPVBQESA-N 0 1 284.197 3.290 20 10 CGCDMN CCC1(C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000165461873 622864221 /nfs/dbraw/zinc/86/42/21/622864221.db2.gz RLWFOLMDXQEHQD-UHFFFAOYSA-N 0 1 284.197 3.435 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1[O-] ZINC000224711470 622882980 /nfs/dbraw/zinc/88/29/80/622882980.db2.gz BQXUHCCWEFMTAY-MNOVXSKESA-N 0 1 279.355 3.354 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1[O-] ZINC000224711470 622882984 /nfs/dbraw/zinc/88/29/84/622882984.db2.gz BQXUHCCWEFMTAY-MNOVXSKESA-N 0 1 279.355 3.354 20 10 CGCDMN Oc1ccccc1CN(Cc1ccco1)CC1=CCCOC1 ZINC000154717293 624347010 /nfs/dbraw/zinc/34/70/10/624347010.db2.gz UEVCDBUUPKDBNS-UHFFFAOYSA-N 0 1 299.370 3.334 20 10 CGCDMN CC(C)CC[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000921050524 624565435 /nfs/dbraw/zinc/56/54/35/624565435.db2.gz TZEVXDCYWODOAN-UHFFFAOYSA-N 0 1 258.365 3.418 20 10 CGCDMN CC(C)CC[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000921050524 624565443 /nfs/dbraw/zinc/56/54/43/624565443.db2.gz TZEVXDCYWODOAN-UHFFFAOYSA-N 0 1 258.365 3.418 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)[C@@H]1C ZINC000751945179 626412675 /nfs/dbraw/zinc/41/26/75/626412675.db2.gz YHIGYJPDTDKMRN-VXGBXAGGSA-N 0 1 256.349 3.171 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)[C@@H]1C ZINC000751945179 626412676 /nfs/dbraw/zinc/41/26/76/626412676.db2.gz YHIGYJPDTDKMRN-VXGBXAGGSA-N 0 1 256.349 3.171 20 10 CGCDMN CC[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000755922829 626661488 /nfs/dbraw/zinc/66/14/88/626661488.db2.gz JVHZPGSFQDXJQH-GFCCVEGCSA-N 0 1 256.349 3.172 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000755922829 626661490 /nfs/dbraw/zinc/66/14/90/626661490.db2.gz JVHZPGSFQDXJQH-GFCCVEGCSA-N 0 1 256.349 3.172 20 10 CGCDMN C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756496888 626710170 /nfs/dbraw/zinc/71/01/70/626710170.db2.gz YJBKJRNSRCRCFE-MNOVXSKESA-N 0 1 291.782 3.117 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C1CCOCC1 ZINC000756627364 626721438 /nfs/dbraw/zinc/72/14/38/626721438.db2.gz HPMPOTCCWQZOET-ABAIWWIYSA-N 0 1 281.371 3.387 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)c2c1c(F)ccc2[O-] ZINC000756665427 626726188 /nfs/dbraw/zinc/72/61/88/626726188.db2.gz WKBFIPDTVIGQCA-DGCLKSJQSA-N 0 1 295.398 3.468 20 10 CGCDMN CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000756789594 626732352 /nfs/dbraw/zinc/73/23/52/626732352.db2.gz HUSJLBSJULUBEW-ABAIWWIYSA-N 0 1 297.826 3.493 20 10 CGCDMN COc1cccc(O)c1CN1CCc2sccc2C1 ZINC000768227984 627469463 /nfs/dbraw/zinc/46/94/63/627469463.db2.gz XEMVZYQDKQMQAM-UHFFFAOYSA-N 0 1 275.373 3.021 20 10 CGCDMN COC(=O)CC[N@@H+](Cc1cc(Cl)ccc1[O-])CC(C)C ZINC000768852143 627504195 /nfs/dbraw/zinc/50/41/95/627504195.db2.gz GGWOLLQSYNEKAC-UHFFFAOYSA-N 0 1 299.798 3.067 20 10 CGCDMN COC(=O)CC[N@H+](Cc1cc(Cl)ccc1[O-])CC(C)C ZINC000768852143 627504197 /nfs/dbraw/zinc/50/41/97/627504197.db2.gz GGWOLLQSYNEKAC-UHFFFAOYSA-N 0 1 299.798 3.067 20 10 CGCDMN CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CC2)c(O)c1 ZINC000769331794 627542411 /nfs/dbraw/zinc/54/24/11/627542411.db2.gz XMGWNIWVYXPMMB-OAHLLOKOSA-N 0 1 261.365 3.165 20 10 CGCDMN COc1cccc(O)c1C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000769451191 627554176 /nfs/dbraw/zinc/55/41/76/627554176.db2.gz JDIZWOLCRYQCHR-CHWSQXEVSA-N 0 1 263.381 3.411 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000769451191 627554178 /nfs/dbraw/zinc/55/41/78/627554178.db2.gz JDIZWOLCRYQCHR-CHWSQXEVSA-N 0 1 263.381 3.411 20 10 CGCDMN COc1cccc([O-])c1C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000769451191 627554181 /nfs/dbraw/zinc/55/41/81/627554181.db2.gz JDIZWOLCRYQCHR-CHWSQXEVSA-N 0 1 263.381 3.411 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000770304242 627612608 /nfs/dbraw/zinc/61/26/08/627612608.db2.gz LBYFRZOAWNAJBY-SECBINFHSA-N 0 1 284.743 3.186 20 10 CGCDMN CC[C@@H](NCc1cc(C)ncn1)c1ccc(N(C)C)cc1 ZINC000773105672 627857016 /nfs/dbraw/zinc/85/70/16/627857016.db2.gz ILGFIRRQCFDQQS-QGZVFWFLSA-N 0 1 284.407 3.092 20 10 CGCDMN CCN(C)c1ccc(CN2CCOC[C@]2(C)CC)cc1 ZINC000773829254 627917408 /nfs/dbraw/zinc/91/74/08/627917408.db2.gz ZVJFGWRPPIOKKC-KRWDZBQOSA-N 0 1 276.424 3.144 20 10 CGCDMN CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775177289 628068783 /nfs/dbraw/zinc/06/87/83/628068783.db2.gz QNYMPPONOIFSDS-INIZCTEOSA-N 0 1 297.826 3.481 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775494097 628101048 /nfs/dbraw/zinc/10/10/48/628101048.db2.gz YCDKTSPKUKTTKW-KOLCDFICSA-N 0 1 297.704 3.010 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](CC)CCO)c1cc(Cl)ccc1[O-] ZINC000775513908 628102468 /nfs/dbraw/zinc/10/24/68/628102468.db2.gz WFANCYIMARHQEL-SMDDNHRTSA-N 0 1 285.815 3.495 20 10 CGCDMN CC1(C)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775689327 628126564 /nfs/dbraw/zinc/12/65/64/628126564.db2.gz DBORTMZIMBHFCK-UHFFFAOYSA-N 0 1 257.736 3.417 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000775725700 628129367 /nfs/dbraw/zinc/12/93/67/628129367.db2.gz LXJLAOJWOYPYRT-QWRGUYRKSA-N 0 1 299.773 3.043 20 10 CGCDMN CCOc1ccc(C[N@@H+]2CCCC[C@H](C)C2)c([O-])c1 ZINC000775995481 628156439 /nfs/dbraw/zinc/15/64/39/628156439.db2.gz DXENVRYZHCOGEZ-ZDUSSCGKSA-N 0 1 263.381 3.413 20 10 CGCDMN CCOc1ccc(C[N@H+]2CCCC[C@H](C)C2)c([O-])c1 ZINC000775995481 628156442 /nfs/dbraw/zinc/15/64/42/628156442.db2.gz DXENVRYZHCOGEZ-ZDUSSCGKSA-N 0 1 263.381 3.413 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000776254708 628185149 /nfs/dbraw/zinc/18/51/49/628185149.db2.gz KSVNOSFICMSFSL-UHFFFAOYSA-N 0 1 283.158 3.384 20 10 CGCDMN CC(C)(C)[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1O ZINC000779432258 628413428 /nfs/dbraw/zinc/41/34/28/628413428.db2.gz QDERGUVXKVBSGT-WFASDCNBSA-N 0 1 297.826 3.275 20 10 CGCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1O ZINC000779432258 628413429 /nfs/dbraw/zinc/41/34/29/628413429.db2.gz QDERGUVXKVBSGT-WFASDCNBSA-N 0 1 297.826 3.275 20 10 CGCDMN Oc1ccc(Cl)cc1CN1CCC[C@@H](OC(F)F)C1 ZINC000781533226 628568686 /nfs/dbraw/zinc/56/86/86/628568686.db2.gz ZUUYOLKKGTUHTM-LLVKDONJSA-N 0 1 291.725 3.249 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781533226 628568690 /nfs/dbraw/zinc/56/86/90/628568690.db2.gz ZUUYOLKKGTUHTM-LLVKDONJSA-N 0 1 291.725 3.249 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781533226 628568695 /nfs/dbraw/zinc/56/86/95/628568695.db2.gz ZUUYOLKKGTUHTM-LLVKDONJSA-N 0 1 291.725 3.249 20 10 CGCDMN CN(C)c1ccc(CNCc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000788507813 629060721 /nfs/dbraw/zinc/06/07/21/629060721.db2.gz QGKDWVXQYBETIQ-UHFFFAOYSA-N 0 1 296.374 3.026 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000788984250 629093894 /nfs/dbraw/zinc/09/38/94/629093894.db2.gz JGDNANWNDSYISK-OSMZGAPFSA-N 0 1 283.799 3.247 20 10 CGCDMN C[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000789557071 629144862 /nfs/dbraw/zinc/14/48/62/629144862.db2.gz FWMISXJKAMHRKR-CYBMUJFWSA-N 0 1 290.190 3.046 20 10 CGCDMN Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1Cl ZINC000789938978 629175255 /nfs/dbraw/zinc/17/52/55/629175255.db2.gz HRXGIGAQLVFQHQ-UHFFFAOYSA-N 0 1 295.697 3.451 20 10 CGCDMN CN(C)c1cc(F)c(CN2C3CCC2CC3)cc1F ZINC000862215167 629323688 /nfs/dbraw/zinc/32/36/88/629323688.db2.gz FEQTZYQNWWMKPV-UHFFFAOYSA-N 0 1 266.335 3.158 20 10 CGCDMN CCCN(Cc1cccc(C)c1O)[C@H](CC)C(=O)OCC ZINC000792184530 629346172 /nfs/dbraw/zinc/34/61/72/629346172.db2.gz BTDQCZSXZOWUKW-OAHLLOKOSA-N 0 1 293.407 3.254 20 10 CGCDMN CCN(Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCCOC1 ZINC000862403224 629364500 /nfs/dbraw/zinc/36/45/00/629364500.db2.gz NENVPKAZJRPLTE-CYBMUJFWSA-N 0 1 298.377 3.032 20 10 CGCDMN Cc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)nc(C)n1 ZINC000793567980 629484674 /nfs/dbraw/zinc/48/46/74/629484674.db2.gz MXDUXKGQGQLWOP-ZDUSSCGKSA-N 0 1 284.407 3.010 20 10 CGCDMN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000793906996 629507734 /nfs/dbraw/zinc/50/77/34/629507734.db2.gz JOSAYMYUQDNLBY-UONOGXRCSA-N 0 1 284.407 3.263 20 10 CGCDMN Cc1cc(O)c(CN2CCO[C@H](CCF)C2)cc1C(C)C ZINC000863316207 629532067 /nfs/dbraw/zinc/53/20/67/629532067.db2.gz LFKHNQAFTPVXHT-OAHLLOKOSA-N 0 1 295.398 3.384 20 10 CGCDMN CC(=O)c1cc(F)cc(CN2CC(C)=C[C@@H](C)C2)c1O ZINC000797526279 629956700 /nfs/dbraw/zinc/95/67/00/629956700.db2.gz LAIVIGAQIQLHRJ-SNVBAGLBSA-N 0 1 277.339 3.132 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC(C)=C[C@@H](C)C2)c1[O-] ZINC000797526279 629956703 /nfs/dbraw/zinc/95/67/03/629956703.db2.gz LAIVIGAQIQLHRJ-SNVBAGLBSA-N 0 1 277.339 3.132 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC(C)=C[C@@H](C)C2)c1[O-] ZINC000797526279 629956707 /nfs/dbraw/zinc/95/67/07/629956707.db2.gz LAIVIGAQIQLHRJ-SNVBAGLBSA-N 0 1 277.339 3.132 20 10 CGCDMN CCCCN(Cc1nccn1CC)Cc1ccccc1O ZINC000801594696 630346855 /nfs/dbraw/zinc/34/68/55/630346855.db2.gz KZQJUWVJAGGYSL-UHFFFAOYSA-N 0 1 287.407 3.411 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](C)COC ZINC000802657698 630404010 /nfs/dbraw/zinc/40/40/10/630404010.db2.gz NVPHMQJCUTZLNM-AWEZNQCLSA-N 0 1 265.397 3.277 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](C)COC ZINC000802657698 630404012 /nfs/dbraw/zinc/40/40/12/630404012.db2.gz NVPHMQJCUTZLNM-AWEZNQCLSA-N 0 1 265.397 3.277 20 10 CGCDMN Cc1noc([C@H]2CCCCN2Cc2cccc(C)c2O)n1 ZINC000809718886 630791483 /nfs/dbraw/zinc/79/14/83/630791483.db2.gz QZJNJEPTZNVLKW-CQSZACIVSA-N 0 1 287.363 3.119 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219580 630856248 /nfs/dbraw/zinc/85/62/48/630856248.db2.gz TYQBHNISCDUXLQ-SKDRFNHKSA-N 0 1 291.313 3.223 20 10 CGCDMN CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000815146728 631729429 /nfs/dbraw/zinc/72/94/29/631729429.db2.gz JZZGFTBFYNDHLH-OAHLLOKOSA-N 0 1 283.799 3.076 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000815151318 631731904 /nfs/dbraw/zinc/73/19/04/631731904.db2.gz XQOKFWVTQHRFCF-ZDUSSCGKSA-N 0 1 297.826 3.324 20 10 CGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@H]1CCCO1 ZINC000816484756 631989608 /nfs/dbraw/zinc/98/96/08/631989608.db2.gz NNHJOPPEKWTQAW-OAHLLOKOSA-N 0 1 271.360 3.156 20 10 CGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@H]1CCCO1 ZINC000816484756 631989611 /nfs/dbraw/zinc/98/96/11/631989611.db2.gz NNHJOPPEKWTQAW-OAHLLOKOSA-N 0 1 271.360 3.156 20 10 CGCDMN CCC[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816513083 631997544 /nfs/dbraw/zinc/99/75/44/631997544.db2.gz GCYSYANFJMNSOW-NSHDSACASA-N 0 1 287.762 3.186 20 10 CGCDMN CO[C@@H](C)C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000816515370 631999996 /nfs/dbraw/zinc/99/99/96/631999996.db2.gz XXJHHZPRAXNLAF-JTQLQIEISA-N 0 1 289.778 3.430 20 10 CGCDMN C[N@@H+](Cc1ccc[nH]1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816519832 632002323 /nfs/dbraw/zinc/00/23/23/632002323.db2.gz XNDPGZIEPGHBAE-UHFFFAOYSA-N 0 1 268.719 3.145 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H](CO)C(C)(C)C ZINC000816518864 632002402 /nfs/dbraw/zinc/00/24/02/632002402.db2.gz PRXZSIWBFXMTLE-ZDUSSCGKSA-N 0 1 289.778 3.024 20 10 CGCDMN CCC(O)(CC)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816544114 632007185 /nfs/dbraw/zinc/00/71/85/632007185.db2.gz XUXAVRKTWYPLTA-UHFFFAOYSA-N 0 1 273.376 3.186 20 10 CGCDMN CC(C)(C)OCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816544024 632007907 /nfs/dbraw/zinc/00/79/07/632007907.db2.gz VNQHLATUXWZMLP-UHFFFAOYSA-N 0 1 273.376 3.450 20 10 CGCDMN C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816564366 632013236 /nfs/dbraw/zinc/01/32/36/632013236.db2.gz COEVEDSMEQGISL-UKRRQHHQSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816564366 632013237 /nfs/dbraw/zinc/01/32/37/632013237.db2.gz COEVEDSMEQGISL-UKRRQHHQSA-N 0 1 285.387 3.138 20 10 CGCDMN [O-]c1c(C[NH2+]CCOCC2CCC2)ccc2ccccc21 ZINC000816570490 632016352 /nfs/dbraw/zinc/01/63/52/632016352.db2.gz VXJGVIXKZTUJRD-UHFFFAOYSA-N 0 1 285.387 3.452 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccnn1C ZINC000866616128 633215401 /nfs/dbraw/zinc/21/54/01/633215401.db2.gz YRUOERBEPAIKNP-VHSXEESVSA-N 0 1 279.771 3.191 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCC1CCOCC1 ZINC000824477335 633249352 /nfs/dbraw/zinc/24/93/52/633249352.db2.gz QGZZRSZSKJOEBF-UHFFFAOYSA-N 0 1 283.799 3.342 20 10 CGCDMN F[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824570691 633261060 /nfs/dbraw/zinc/26/10/60/633261060.db2.gz DSNCIOSBYMWMDE-HNNXBMFYSA-N 0 1 262.372 3.221 20 10 CGCDMN C[C@@H]([NH2+]CC(C)(C)CO)c1ccc2ccccc2c1[O-] ZINC000122003342 633296766 /nfs/dbraw/zinc/29/67/66/633296766.db2.gz QESXXUXHXTZGRB-GFCCVEGCSA-N 0 1 273.376 3.215 20 10 CGCDMN Cc1nc(CNCc2cc(Cl)c(C)cc2O)cs1 ZINC000825089550 633327771 /nfs/dbraw/zinc/32/77/71/633327771.db2.gz DVRFFUBGYMSEAL-UHFFFAOYSA-N 0 1 282.796 3.409 20 10 CGCDMN Cc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cn1 ZINC000825119882 633330070 /nfs/dbraw/zinc/33/00/70/633330070.db2.gz HADHIZVPPFLVLM-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCCO2)cc1Cl ZINC000825142780 633331655 /nfs/dbraw/zinc/33/16/55/633331655.db2.gz BYSFIVUOPGOKHH-LBPRGKRZSA-N 0 1 269.772 3.013 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCOC2CCC2)cc1Cl ZINC000825319756 633344928 /nfs/dbraw/zinc/34/49/28/633344928.db2.gz BADUGCYRDXOHQD-UHFFFAOYSA-N 0 1 269.772 3.013 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1Cl ZINC000825338057 633346950 /nfs/dbraw/zinc/34/69/50/633346950.db2.gz RLSYRNGJYPBXLH-JGGQBBKZSA-N 0 1 295.810 3.401 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1Cl ZINC000825731039 633378231 /nfs/dbraw/zinc/37/82/31/633378231.db2.gz CIZDJWWHHKTRLA-TZMCWYRMSA-N 0 1 297.826 3.479 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1Cl ZINC000825731039 633378232 /nfs/dbraw/zinc/37/82/32/633378232.db2.gz CIZDJWWHHKTRLA-TZMCWYRMSA-N 0 1 297.826 3.479 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCOC[C@@H]2C)cc1Cl ZINC000825893193 633387040 /nfs/dbraw/zinc/38/70/40/633387040.db2.gz RTLPXJPVVXBOFH-NWDGAFQWSA-N 0 1 283.799 3.116 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1Cl ZINC000826135262 633407664 /nfs/dbraw/zinc/40/76/64/633407664.db2.gz DQOXNIGNZUDPRT-PEGIJTEDSA-N 0 1 251.757 3.242 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CC2=CCCOC2)c(Cl)c1 ZINC000827190792 633469034 /nfs/dbraw/zinc/46/90/34/633469034.db2.gz YUNIPOJPIQVTGM-UHFFFAOYSA-N 0 1 281.783 3.133 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CC2=CCCOC2)c(Cl)c1 ZINC000827190792 633469036 /nfs/dbraw/zinc/46/90/36/633469036.db2.gz YUNIPOJPIQVTGM-UHFFFAOYSA-N 0 1 281.783 3.133 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(C)CC2(F)F)cc1Cl ZINC000827251668 633474909 /nfs/dbraw/zinc/47/49/09/633474909.db2.gz KPHQTXFCZRGRJY-GFCCVEGCSA-N 0 1 275.726 3.489 20 10 CGCDMN CCc1cccc(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC000827958148 633540815 /nfs/dbraw/zinc/54/08/15/633540815.db2.gz YYWWKRXFPICEEW-BDJLRTHQSA-N 0 1 299.361 3.199 20 10 CGCDMN C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccsc1 ZINC000124138311 634166795 /nfs/dbraw/zinc/16/67/95/634166795.db2.gz YSYWTEHPKJXTEH-CQSZACIVSA-N 0 1 297.807 3.104 20 10 CGCDMN C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccc(N(C)C)cc1 ZINC000834769406 634239055 /nfs/dbraw/zinc/23/90/55/634239055.db2.gz MSYSNWLLABRYEX-DVOMOZLQSA-N 0 1 284.407 3.306 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)N[C@@H]2CCn3ccnc32)c1O ZINC000834832419 634251866 /nfs/dbraw/zinc/25/18/66/634251866.db2.gz OZBJGSUDKXSBMQ-GXFFZTMASA-N 0 1 291.782 3.346 20 10 CGCDMN CCCc1ncc(CN[C@@H](C)c2ccccc2O)o1 ZINC000834899638 634276618 /nfs/dbraw/zinc/27/66/18/634276618.db2.gz LFCSJIZVDGUFCQ-NSHDSACASA-N 0 1 260.337 3.184 20 10 CGCDMN CCc1ncc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000834900925 634277868 /nfs/dbraw/zinc/27/78/68/634277868.db2.gz UELZGFHUTOZZHQ-SKDRFNHKSA-N 0 1 290.338 3.420 20 10 CGCDMN C[C@@H]([NH2+][C@H]1COCC1(C)C)c1cc(Cl)ccc1[O-] ZINC000834903080 634280267 /nfs/dbraw/zinc/28/02/67/634280267.db2.gz IAFJPVPAFJWKMA-RNCFNFMXSA-N 0 1 269.772 3.121 20 10 CGCDMN CCn1cc(CN(C)C/C=C/c2ccc(N(C)C)cc2)cn1 ZINC000835029849 634325503 /nfs/dbraw/zinc/32/55/03/634325503.db2.gz SZEDUNKTJPOYEB-VOTSOKGWSA-N 0 1 298.434 3.114 20 10 CGCDMN CN(C)c1ccc(C=CCN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000835043109 634330437 /nfs/dbraw/zinc/33/04/37/634330437.db2.gz MVCBOZQIUOLJPF-VGOKWCNXSA-N 0 1 296.418 3.156 20 10 CGCDMN CCO[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000124497081 634347762 /nfs/dbraw/zinc/34/77/62/634347762.db2.gz PCONOZVUNXVLTJ-GFCCVEGCSA-N 0 1 269.772 3.047 20 10 CGCDMN Cc1ccc(C[N@H+]2CCSC(C)(C)C2)c(O)c1 ZINC000876748254 634891879 /nfs/dbraw/zinc/89/18/79/634891879.db2.gz ZMIASSYMNFGKPN-UHFFFAOYSA-N 0 1 251.395 3.028 20 10 CGCDMN Cc1ccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000840910144 635080050 /nfs/dbraw/zinc/08/00/50/635080050.db2.gz LEEIZAYKIIZAAO-UHFFFAOYSA-N 0 1 296.418 3.016 20 10 CGCDMN CC[N@@H+](Cc1c([O-])cc(C)cc1Cl)C[C@H]1CCCO1 ZINC000840911584 635081301 /nfs/dbraw/zinc/08/13/01/635081301.db2.gz IOJABFITARABIY-GFCCVEGCSA-N 0 1 283.799 3.355 20 10 CGCDMN CC[N@H+](Cc1c([O-])cc(C)cc1Cl)C[C@H]1CCCO1 ZINC000840911584 635081306 /nfs/dbraw/zinc/08/13/06/635081306.db2.gz IOJABFITARABIY-GFCCVEGCSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000840916226 635081731 /nfs/dbraw/zinc/08/17/31/635081731.db2.gz HXUGPPRGWJMQBT-CHWSQXEVSA-N 0 1 295.810 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000840916226 635081732 /nfs/dbraw/zinc/08/17/32/635081732.db2.gz HXUGPPRGWJMQBT-CHWSQXEVSA-N 0 1 295.810 3.212 20 10 CGCDMN CCC[C@@]1(CO)CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840946184 635089071 /nfs/dbraw/zinc/08/90/71/635089071.db2.gz HUZXNLHOOXYRCX-MRXNPFEDSA-N 0 1 297.826 3.339 20 10 CGCDMN CCC[C@@]1(CO)CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840946184 635089077 /nfs/dbraw/zinc/08/90/77/635089077.db2.gz HUZXNLHOOXYRCX-MRXNPFEDSA-N 0 1 297.826 3.339 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN1CC(CC(F)(F)F)C1 ZINC000840953472 635092088 /nfs/dbraw/zinc/09/20/88/635092088.db2.gz RZISAIONLDVYPP-UHFFFAOYSA-N 0 1 286.341 3.445 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CC[C@@H](C)O2)c(Cl)c1 ZINC000840953500 635092435 /nfs/dbraw/zinc/09/24/35/635092435.db2.gz TUKRISJEMZAQPL-GHMZBOCLSA-N 0 1 269.772 3.011 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000840961792 635094277 /nfs/dbraw/zinc/09/42/77/635094277.db2.gz DUTDZCOGNHYQSA-VXGBXAGGSA-N 0 1 257.736 3.416 20 10 CGCDMN COC1([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000840970304 635097028 /nfs/dbraw/zinc/09/70/28/635097028.db2.gz SZXLMTOADHZNFG-SNVBAGLBSA-N 0 1 269.772 3.093 20 10 CGCDMN COc1cc(C)c(CN2Cc3cccc(O)c3C2)cc1OC ZINC000877702947 635154313 /nfs/dbraw/zinc/15/43/13/635154313.db2.gz LHTXKKQURVLWRU-UHFFFAOYSA-N 0 1 299.370 3.234 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877737328 635171430 /nfs/dbraw/zinc/17/14/30/635171430.db2.gz FMJCLIUINTUSIS-PWSUYJOCSA-N 0 1 283.824 3.231 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877737328 635171434 /nfs/dbraw/zinc/17/14/34/635171434.db2.gz FMJCLIUINTUSIS-PWSUYJOCSA-N 0 1 283.824 3.231 20 10 CGCDMN CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000877778953 635201016 /nfs/dbraw/zinc/20/10/16/635201016.db2.gz WAOMDAXPGNOYHT-WFASDCNBSA-N 0 1 273.376 3.185 20 10 CGCDMN C[C@H](NCc1nccs1)c1ccc(Cl)cc1O ZINC000841745233 635222432 /nfs/dbraw/zinc/22/24/32/635222432.db2.gz OJMUJGXTQZPYCI-QMMMGPOBSA-N 0 1 268.769 3.353 20 10 CGCDMN C[C@H]([NH2+]Cc1nccs1)c1ccc(Cl)cc1[O-] ZINC000841745233 635222435 /nfs/dbraw/zinc/22/24/35/635222435.db2.gz OJMUJGXTQZPYCI-QMMMGPOBSA-N 0 1 268.769 3.353 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(Cl)cc1[O-] ZINC000841753230 635226738 /nfs/dbraw/zinc/22/67/38/635226738.db2.gz FHJQYYDRELSEAI-ZJUUUORDSA-N 0 1 279.771 3.191 20 10 CGCDMN CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757195 635231079 /nfs/dbraw/zinc/23/10/79/635231079.db2.gz BUZGFHGZCDUIOV-HZMBPMFUSA-N 0 1 271.788 3.103 20 10 CGCDMN C[C@H]([NH2+][C@H]1COCC1(C)C)c1ccc(Cl)cc1[O-] ZINC000841757101 635231592 /nfs/dbraw/zinc/23/15/92/635231592.db2.gz MCRDKMJWMMGKSW-ZANVPECISA-N 0 1 269.772 3.121 20 10 CGCDMN C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CC2(CCC2)O1 ZINC000843431698 635673601 /nfs/dbraw/zinc/67/36/01/635673601.db2.gz BSIKUDPXXMHMHM-SNVBAGLBSA-N 0 1 299.773 3.328 20 10 CGCDMN C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C2(CCC2)CO1 ZINC000846067564 636140564 /nfs/dbraw/zinc/14/05/64/636140564.db2.gz SZBMRLGATTYSMM-SNVBAGLBSA-N 0 1 299.773 3.328 20 10 CGCDMN CSc1ccc(CNCc2ccc(N(C)C)c(F)c2)o1 ZINC000882943105 636469945 /nfs/dbraw/zinc/46/99/45/636469945.db2.gz DWARCVRRIYTRFC-UHFFFAOYSA-N 0 1 294.395 3.496 20 10 CGCDMN CN1Cc2ccc(NCc3cc(F)cc(F)c3O)cc2C1 ZINC000883056474 636523046 /nfs/dbraw/zinc/52/30/46/636523046.db2.gz MPAQMSPLOXEJMU-UHFFFAOYSA-N 0 1 290.313 3.228 20 10 CGCDMN Cc1ccc[nH+]c1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000130946819 636535575 /nfs/dbraw/zinc/53/55/75/636535575.db2.gz RXMQCFJVVNCMJX-UHFFFAOYSA-N 0 1 293.710 3.269 20 10 CGCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1cn2ccccc2n1 ZINC000848524346 636588251 /nfs/dbraw/zinc/58/82/51/636588251.db2.gz DQZFPYKRNVZTTD-ZDUSSCGKSA-N 0 1 293.370 3.120 20 10 CGCDMN CCN1CC[C@@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000883355560 636697057 /nfs/dbraw/zinc/69/70/57/636697057.db2.gz UHGZZWUZMPNAHX-DZGCQCFKSA-N 0 1 284.403 3.290 20 10 CGCDMN Clc1cnc(SCCN2CCCCC2)s1 ZINC000849998434 636924053 /nfs/dbraw/zinc/92/40/53/636924053.db2.gz OYYLIGYVBQJPJZ-UHFFFAOYSA-N 0 1 262.831 3.375 20 10 CGCDMN CC[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cc(Cl)ccc1[O-] ZINC000850515642 637099130 /nfs/dbraw/zinc/09/91/30/637099130.db2.gz MRNJDPZWCRRPFY-ZWNOBZJWSA-N 0 1 283.799 3.247 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)C[C@H]2C)c1[O-] ZINC000135821894 637188451 /nfs/dbraw/zinc/18/84/51/637188451.db2.gz LOLLSWCHSACFCW-NXEZZACHSA-N 0 1 281.783 3.479 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@H]2C)c1[O-] ZINC000135821894 637188456 /nfs/dbraw/zinc/18/84/56/637188456.db2.gz LOLLSWCHSACFCW-NXEZZACHSA-N 0 1 281.783 3.479 20 10 CGCDMN Cc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000109768860 637266056 /nfs/dbraw/zinc/26/60/56/637266056.db2.gz WSPQGGACMJJTSG-CQSZACIVSA-N 0 1 298.386 3.160 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC3CC2(C)C3)c1[O-] ZINC000852785287 637712814 /nfs/dbraw/zinc/71/28/14/637712814.db2.gz FGQQDWLSZJRQGZ-UHFFFAOYSA-N 0 1 279.767 3.233 20 10 CGCDMN Cc1noc(C)c1[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000113957478 638306605 /nfs/dbraw/zinc/30/66/05/638306605.db2.gz YHOPEAFTRGVGDD-SNVBAGLBSA-N 0 1 291.370 3.347 20 10 CGCDMN Cc1cc(CNCc2ccc(N(C)C)c(F)c2)c(C)o1 ZINC000114504887 638374441 /nfs/dbraw/zinc/37/44/41/638374441.db2.gz PVCKXSZRTNOAPP-UHFFFAOYSA-N 0 1 276.355 3.391 20 10 CGCDMN CCc1onc(C)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC000929225331 638910619 /nfs/dbraw/zinc/91/06/19/638910619.db2.gz KJBQWMOCAKSUQC-UHFFFAOYSA-N 0 1 287.407 3.243 20 10 CGCDMN CCC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])CC1CC1 ZINC000048994778 640078103 /nfs/dbraw/zinc/07/81/03/640078103.db2.gz CIQVSDOGMNZBKP-UHFFFAOYSA-N 0 1 279.355 3.356 20 10 CGCDMN Cc1noc(C)c1CN(C)Cc1cc(Cl)ccc1O ZINC000091812647 640723105 /nfs/dbraw/zinc/72/31/05/640723105.db2.gz DFIKNFXAFCPPDG-UHFFFAOYSA-N 0 1 280.755 3.282 20 10 CGCDMN C[C@@](O)(C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000114508365 641000292 /nfs/dbraw/zinc/00/02/92/641000292.db2.gz 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CCO[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237084515 819663423 /nfs/dbraw/zinc/66/34/23/819663423.db2.gz KEBBIDKGLZFWBH-SECBINFHSA-N 0 1 290.190 3.310 20 10 CGCDMN C[C@H]1CN(Cc2cc(C(F)(F)F)ccc2O)CCCO1 ZINC001237135031 819675095 /nfs/dbraw/zinc/67/50/95/819675095.db2.gz FONTZVCNFBVTHW-JTQLQIEISA-N 0 1 289.297 3.022 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001237618254 819789468 /nfs/dbraw/zinc/78/94/68/819789468.db2.gz FFGMSKBBRKBALX-QMTHXVAHSA-N 0 1 299.773 3.186 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237940141 819889117 /nfs/dbraw/zinc/88/91/17/819889117.db2.gz BZWIRLTWLHECSR-VIFPVBQESA-N 0 1 257.736 3.417 20 10 CGCDMN C[N@@H+](CCc1ccncc1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237935301 819889613 /nfs/dbraw/zinc/88/96/13/819889613.db2.gz CEWBIUKVBGOGMQ-UHFFFAOYSA-N 0 1 294.757 3.254 20 10 CGCDMN CCCO[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237937114 819889729 /nfs/dbraw/zinc/88/97/29/819889729.db2.gz NUBHRAOVOHMLTB-NSHDSACASA-N 0 1 287.762 3.186 20 10 CGCDMN Cc1nc2c[nH]cc(-c3ccc4ccn(C)c4c3)c-2n1 ZINC001240575766 821161447 /nfs/dbraw/zinc/16/14/47/821161447.db2.gz BEYRBBPQERJDAO-UHFFFAOYSA-N 0 1 262.316 3.425 20 10 CGCDMN Cc1nc2c(cncc2-c2ccc3ccn(C)c3c2)[nH]1 ZINC001240575766 821161455 /nfs/dbraw/zinc/16/14/55/821161455.db2.gz BEYRBBPQERJDAO-UHFFFAOYSA-N 0 1 262.316 3.425 20 10 CGCDMN CC(C)Oc1ccc(-c2nccc3c2ccn3C)cn1 ZINC001240808005 821349403 /nfs/dbraw/zinc/34/94/03/821349403.db2.gz KEGPUZACOQTGOA-UHFFFAOYSA-N 0 1 267.332 3.423 20 10 CGCDMN Cn1ccc2c1ccnc2-c1ccc(OCC2CC2)nc1 ZINC001242212966 822912141 /nfs/dbraw/zinc/91/21/41/822912141.db2.gz XVUINOJRHPRMQN-UHFFFAOYSA-N 0 1 279.343 3.424 20 10 CGCDMN CC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)[C@H](C)CO1 ZINC001349536128 936951652 /nfs/dbraw/zinc/95/16/52/936951652.db2.gz UQGLPTGBXBRNTG-CRAIPNDOSA-N 0 1 288.435 3.286 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C/C=C/C2CC2)c(Cl)c1 ZINC001474156317 937842116 /nfs/dbraw/zinc/84/21/16/937842116.db2.gz ZLVSLWSCMYAETB-NSCUHMNNSA-N 0 1 251.757 3.410 20 10 CGCDMN CC[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1C ZINC001462128767 937619540 /nfs/dbraw/zinc/61/95/40/937619540.db2.gz VCARGDBMEOGGAB-UWVGGRQHSA-N 0 1 255.308 3.291 20 10 CGCDMN CC(C)[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])CCS1 ZINC001308611664 933141868 /nfs/dbraw/zinc/14/18/68/933141868.db2.gz SXXOIKCFFVTKJY-CQSZACIVSA-N 0 1 287.375 3.244 20 10 CGCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001308728932 933166365 /nfs/dbraw/zinc/16/63/65/933166365.db2.gz CHONHKSBMHRJSU-IONNQARKSA-N 0 1 295.251 3.443 20 10 CGCDMN COc1cccc(NCc2ccc(F)c(F)c2O)c1OC ZINC001308939136 933207218 /nfs/dbraw/zinc/20/72/18/933207218.db2.gz UXPLKERBSMDFPQ-UHFFFAOYSA-N 0 1 295.285 3.300 20 10 CGCDMN CCN(CC)c1ccc(CN(C)Cc2cc(C)[nH]n2)cc1 ZINC001319687870 933915190 /nfs/dbraw/zinc/91/51/90/933915190.db2.gz XKABQULXRUTSIC-UHFFFAOYSA-N 0 1 286.423 3.196 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CC[C@H](C)O2)cc1Cl ZINC001327823737 935087378 /nfs/dbraw/zinc/08/73/78/935087378.db2.gz IZUZZWVCDQJOIF-CMPLNLGQSA-N 0 1 269.772 3.011 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccn1C1CC1 ZINC001328707398 935162080 /nfs/dbraw/zinc/16/20/80/935162080.db2.gz AUBSOTPLFOHIKR-UHFFFAOYSA-N 0 1 276.767 3.472 20 10 CGCDMN C[S@](=O)c1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC001331027883 935344058 /nfs/dbraw/zinc/34/40/58/935344058.db2.gz WWRXQIMCPDCYRK-FQEVSTJZSA-N 0 1 297.326 3.020 20 10 CGCDMN Cc1ccc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)c(O)c1 ZINC001331729663 935406850 /nfs/dbraw/zinc/40/68/50/935406850.db2.gz YIEFJJHCMDSYQS-UHFFFAOYSA-N 0 1 287.407 3.353 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H](CF)C1 ZINC001332136980 935443228 /nfs/dbraw/zinc/44/32/28/935443228.db2.gz UREYIDVJGYANTG-GFCCVEGCSA-N 0 1 274.339 3.122 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H](CF)C1 ZINC001332136980 935443230 /nfs/dbraw/zinc/44/32/30/935443230.db2.gz UREYIDVJGYANTG-GFCCVEGCSA-N 0 1 274.339 3.122 20 10 CGCDMN CC1(C)CC[C@H](C[NH2+]Cc2ccc(Cl)cc2[O-])O1 ZINC001474460943 937860725 /nfs/dbraw/zinc/86/07/25/937860725.db2.gz JLDDILWCHOCJBR-GFCCVEGCSA-N 0 1 269.772 3.093 20 10 CGCDMN CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001474478485 937862310 /nfs/dbraw/zinc/86/23/10/937862310.db2.gz HBORUBMTEOBICV-INIZCTEOSA-N 0 1 299.361 3.452 20 10 CGCDMN C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001474582936 937868413 /nfs/dbraw/zinc/86/84/13/937868413.db2.gz TXEGEZWFJBSIRR-SECBINFHSA-N 0 1 255.308 3.291 20 10 CGCDMN c1cc2[nH]nnc2c(NCc2ccc(N3CCCC3)cc2)c1 ZINC001560476900 938259482 /nfs/dbraw/zinc/25/94/82/938259482.db2.gz BMZYMDNNQSDFIR-UHFFFAOYSA-N 0 1 293.374 3.170 20 10 CGCDMN C[N@H+](CCOC(C)(C)C)Cc1ccc(Cl)cc1[O-] ZINC001560633402 938266896 /nfs/dbraw/zinc/26/68/96/938266896.db2.gz UQLSKPXDFZQHQI-UHFFFAOYSA-N 0 1 271.788 3.293 20 10 CGCDMN C[N@@H+](CCOC(C)(C)C)Cc1ccc(Cl)cc1[O-] ZINC001560633402 938266898 /nfs/dbraw/zinc/26/68/98/938266898.db2.gz UQLSKPXDFZQHQI-UHFFFAOYSA-N 0 1 271.788 3.293 20 10 CGCDMN CCC(O)(CC)C[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC001560958277 938286488 /nfs/dbraw/zinc/28/64/88/938286488.db2.gz OUUOADUUYCKPPC-UHFFFAOYSA-N 0 1 285.815 3.337 20 10 CGCDMN CCC(O)(CC)C[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC001560958277 938286491 /nfs/dbraw/zinc/28/64/91/938286491.db2.gz OUUOADUUYCKPPC-UHFFFAOYSA-N 0 1 285.815 3.337 20 10 CGCDMN CCC(O)(CC)C[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC001560958277 938286492 /nfs/dbraw/zinc/28/64/92/938286492.db2.gz OUUOADUUYCKPPC-UHFFFAOYSA-N 0 1 285.815 3.337 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@]1(C)C(=O)[O-] ZINC001599929239 985275292 /nfs/dbraw/zinc/27/52/92/985275292.db2.gz ASGUFZCTVGZHJM-SGTLLEGYSA-N 0 1 299.370 3.088 20 10 CGCDMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001593776939 996481197 /nfs/dbraw/zinc/48/11/97/996481197.db2.gz VHUMUMIOPOVEMF-GOSISDBHSA-N 0 1 299.370 3.232 20 10 CGCDMN C[C@H]([NH2+]CCC(C)(C)CO)c1cc(Cl)ccc1[O-] ZINC000295861576 299287526 /nfs/dbraw/zinc/28/75/26/299287526.db2.gz BOLKIZUHTGKXFW-JTQLQIEISA-N 0 1 271.788 3.105 20 10 CGCDMN C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000159745525 372176076 /nfs/dbraw/zinc/17/60/76/372176076.db2.gz PSUOKCPZKQXQMB-CYBMUJFWSA-N 0 1 295.386 3.172 20 10 CGCDMN Cc1cc(CN2CCC[C@H]2c2cc[nH]n2)ccc1N(C)C ZINC000294108723 372582816 /nfs/dbraw/zinc/58/28/16/372582816.db2.gz MUKNRVHAPCEBSH-KRWDZBQOSA-N 0 1 284.407 3.121 20 10 CGCDMN Cc1cccnc1CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000295053113 372688495 /nfs/dbraw/zinc/68/84/95/372688495.db2.gz PRMILRNKTACPTK-UHFFFAOYSA-N 0 1 290.794 3.471 20 10 CGCDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCCOC1 ZINC000295399585 372765614 /nfs/dbraw/zinc/76/56/14/372765614.db2.gz QNYJVVPZFXIVAZ-SNVBAGLBSA-N 0 1 287.762 3.043 20 10 CGCDMN COc1cccc(CN(C)Cc2ccccc2F)c1O ZINC000179607416 373893407 /nfs/dbraw/zinc/89/34/07/373893407.db2.gz FWSAMJKXBVKCHI-UHFFFAOYSA-N 0 1 275.323 3.172 20 10 CGCDMN Cc1cccc(CN(C)Cc2ccccc2[N+](=O)[O-])c1O ZINC000179694373 373905735 /nfs/dbraw/zinc/90/57/35/373905735.db2.gz UUASWGKNSUGXRT-UHFFFAOYSA-N 0 1 286.331 3.241 20 10 CGCDMN COCCN(Cc1cccc(Cl)c1O)CC(F)(F)F ZINC000179901019 373936439 /nfs/dbraw/zinc/93/64/39/373936439.db2.gz JAOMGLOOFJWBRQ-UHFFFAOYSA-N 0 1 297.704 3.056 20 10 CGCDMN C[N@@H+](CCC1CCOCC1)Cc1cccc(Cl)c1[O-] ZINC000180379942 373996252 /nfs/dbraw/zinc/99/62/52/373996252.db2.gz GPHAYQYZKYIXSA-UHFFFAOYSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@@H](N[C@H](C)c1ccccc1O)c1ccc(C)o1 ZINC000183541196 374426281 /nfs/dbraw/zinc/42/62/81/374426281.db2.gz GHVWDBGPPDMZDM-TZMCWYRMSA-N 0 1 275.348 3.332 20 10 CGCDMN CCN(CC)c1ccc(CN[C@@H](C)c2cn[nH]c2)cc1F ZINC000270234276 378325885 /nfs/dbraw/zinc/32/58/85/378325885.db2.gz RCKNYXVYLDNCNO-LBPRGKRZSA-N 0 1 290.386 3.246 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000271180068 378472360 /nfs/dbraw/zinc/47/23/60/378472360.db2.gz KYSBNZCDAUFUQK-UHFFFAOYSA-N 0 1 295.810 3.438 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000271180068 378472368 /nfs/dbraw/zinc/47/23/68/378472368.db2.gz KYSBNZCDAUFUQK-UHFFFAOYSA-N 0 1 295.810 3.438 20 10 CGCDMN C[C@@H](CCO)C1(C[NH2+]Cc2c([O-])cccc2Cl)CCC1 ZINC000271873929 378509624 /nfs/dbraw/zinc/50/96/24/378509624.db2.gz YNXHXXVINDCNHH-LBPRGKRZSA-N 0 1 297.826 3.324 20 10 CGCDMN COCC[C@@H](NCc1ccc(OC)c(C)c1)c1ccco1 ZINC000272420188 378633393 /nfs/dbraw/zinc/63/33/93/378633393.db2.gz DEXVJRXWRSRPHV-OAHLLOKOSA-N 0 1 289.375 3.464 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000273403489 378744407 /nfs/dbraw/zinc/74/44/07/378744407.db2.gz NSTJRYGKSIBKCE-CMPLNLGQSA-N 0 1 269.772 3.265 20 10 CGCDMN C[C@H]([NH2+]CCNc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000273467956 378747268 /nfs/dbraw/zinc/74/72/68/378747268.db2.gz FDVOVPRBVBJDAA-NSHDSACASA-N 0 1 291.782 3.203 20 10 CGCDMN C[C@H]([NH2+]CC(C)(C)CCCO)c1cc(Cl)ccc1[O-] ZINC000273466545 378748937 /nfs/dbraw/zinc/74/89/37/378748937.db2.gz IZPBKJANHJKTSX-NSHDSACASA-N 0 1 285.815 3.495 20 10 CGCDMN CO[C@H](C)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273600666 378756304 /nfs/dbraw/zinc/75/63/04/378756304.db2.gz RWBHMOHCIUGFFE-NXEZZACHSA-N 0 1 257.761 3.121 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375320201 379489902 /nfs/dbraw/zinc/48/99/02/379489902.db2.gz MUHUCIPWNLEIET-UKRRQHHQSA-N 0 1 281.783 3.189 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375320201 379489912 /nfs/dbraw/zinc/48/99/12/379489912.db2.gz MUHUCIPWNLEIET-UKRRQHHQSA-N 0 1 281.783 3.189 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cc(Cl)ccc1[O-] ZINC000281274287 379828430 /nfs/dbraw/zinc/82/84/30/379828430.db2.gz XCPPHYNPTQOBRF-ZWNOBZJWSA-N 0 1 283.799 3.247 20 10 CGCDMN CCCCN(Cc1ccccc1O)[C@H](C)c1nnc(C)o1 ZINC000282472596 379926884 /nfs/dbraw/zinc/92/68/84/379926884.db2.gz NYZYJDQDKMQMRC-GFCCVEGCSA-N 0 1 289.379 3.447 20 10 CGCDMN CCCCN(Cc1cc(C)on1)Cc1ccccc1O ZINC000282559314 379945734 /nfs/dbraw/zinc/94/57/34/379945734.db2.gz YFWJUBYHPBYWGI-UHFFFAOYSA-N 0 1 274.364 3.491 20 10 CGCDMN C[C@H](N[C@@H](C)c1c(F)cncc1F)c1ccccc1O ZINC000285707421 380152828 /nfs/dbraw/zinc/15/28/28/380152828.db2.gz PHEQEMDYOOZZNH-UWVGGRQHSA-N 0 1 278.302 3.477 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc2ccccc2c1[O-] ZINC000109543543 392366368 /nfs/dbraw/zinc/36/63/68/392366368.db2.gz UHOPRBXSUYQVEZ-OCCSQVGLSA-N 0 1 271.360 3.375 20 10 CGCDMN Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121218309 392411264 /nfs/dbraw/zinc/41/12/64/392411264.db2.gz UTQUXQVYOQHHLW-LLVKDONJSA-N 0 1 291.782 3.148 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121218309 392411266 /nfs/dbraw/zinc/41/12/66/392411266.db2.gz UTQUXQVYOQHHLW-LLVKDONJSA-N 0 1 291.782 3.148 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121218309 392411269 /nfs/dbraw/zinc/41/12/69/392411269.db2.gz UTQUXQVYOQHHLW-LLVKDONJSA-N 0 1 291.782 3.148 20 10 CGCDMN C[C@@H]1CN(Cc2ccccc2O)C[C@H](c2ccsc2)O1 ZINC000179582201 392704216 /nfs/dbraw/zinc/70/42/16/392704216.db2.gz BMTAIFFPNQFUGS-MLGOLLRUSA-N 0 1 289.400 3.416 20 10 CGCDMN COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000019907434 170919712 /nfs/dbraw/zinc/91/97/12/170919712.db2.gz MSVVCYHYSCBZIN-UHFFFAOYSA-N 0 1 291.778 3.387 20 10 CGCDMN CC[C@H](C)[N@@H+](CC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037323243 173123208 /nfs/dbraw/zinc/12/32/08/173123208.db2.gz MSLLEPFGTAIJMS-JTQLQIEISA-N 0 1 267.344 3.354 20 10 CGCDMN Cc1ccc([C@@H](C)NCc2ccc3c(c2)CCO3)o1 ZINC000037363219 173152808 /nfs/dbraw/zinc/15/28/08/173152808.db2.gz NRNCQLGQZSQVQM-GFCCVEGCSA-N 0 1 257.333 3.374 20 10 CGCDMN CC[C@H](NCc1cccnc1OC)c1ccc(N(C)C)cc1 ZINC000151152567 260978667 /nfs/dbraw/zinc/97/86/67/260978667.db2.gz PAFVFONKBLQXRB-KRWDZBQOSA-N 0 1 299.418 3.397 20 10 CGCDMN CC[C@](C)(NCc1ccccc1O)c1nccs1 ZINC000152636422 261066560 /nfs/dbraw/zinc/06/65/60/261066560.db2.gz WSIANDRKEBGCGO-AWEZNQCLSA-N 0 1 262.378 3.264 20 10 CGCDMN C[C@@H]([NH2+]CCCN(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184843054 262030895 /nfs/dbraw/zinc/03/08/95/262030895.db2.gz ZNZMPDSVFLPAIA-SECBINFHSA-N 0 1 291.222 3.301 20 10 CGCDMN C[C@@H](NCc1nccs1)c1cc(Cl)ccc1O ZINC000185087610 262040857 /nfs/dbraw/zinc/04/08/57/262040857.db2.gz SIBJGLTUEJLHPR-MRVPVSSYSA-N 0 1 268.769 3.353 20 10 CGCDMN CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185154790 262044130 /nfs/dbraw/zinc/04/41/30/262044130.db2.gz YXSHQQKGQKCVLF-QWRGUYRKSA-N 0 1 298.814 3.001 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000377273762 268063083 /nfs/dbraw/zinc/06/30/83/268063083.db2.gz RFGXAGKSCAGSGR-JTQLQIEISA-N 0 1 287.762 3.186 20 10 CGCDMN C[C@H](C[N@@H+](C)Cc1cccc(F)c1[O-])c1nccs1 ZINC000273168730 279281439 /nfs/dbraw/zinc/28/14/39/279281439.db2.gz MAIYRGCQNTUDEH-SNVBAGLBSA-N 0 1 280.368 3.223 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527804723 330284427 /nfs/dbraw/zinc/28/44/27/330284427.db2.gz ABDRFGSFCXCIFB-ZDUSSCGKSA-N 0 1 294.826 3.152 20 10 CGCDMN C[C@@H]([NH2+]CC(C)(C)CCCO)c1cc(Cl)ccc1[O-] ZINC000273466544 525414095 /nfs/dbraw/zinc/41/40/95/525414095.db2.gz IZPBKJANHJKTSX-LLVKDONJSA-N 0 1 285.815 3.495 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CC=CCC1 ZINC000076771121 526341485 /nfs/dbraw/zinc/34/14/85/526341485.db2.gz LCOJGDXLYFRLFS-GFCCVEGCSA-N 0 1 282.181 3.353 20 10 CGCDMN Cc1ncsc1CN(C)Cc1ccc(N(C)C)c(C)c1 ZINC000293261584 527497667 /nfs/dbraw/zinc/49/76/67/527497667.db2.gz XNIGHAGIGBCVEQ-UHFFFAOYSA-N 0 1 289.448 3.458 20 10 CGCDMN C[N@@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C1CCC1 ZINC000737454561 572345747 /nfs/dbraw/zinc/34/57/47/572345747.db2.gz UUAADIASQUWLBI-UHFFFAOYSA-N 0 1 285.343 3.228 20 10 CGCDMN Fc1ccc(CNCc2ccc3c(c2)CCO3)c(F)c1 ZINC000050198586 618071955 /nfs/dbraw/zinc/07/19/55/618071955.db2.gz BBCMLLBJUUHOLD-UHFFFAOYSA-N 0 1 275.298 3.190 20 10 CGCDMN COC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000307767197 618077041 /nfs/dbraw/zinc/07/70/41/618077041.db2.gz GINWBVYWQKPUFT-ZDUSSCGKSA-N 0 1 299.798 3.055 20 10 CGCDMN Cc1ccc(CN(C)Cc2ccc(N(C)C)c(F)c2)o1 ZINC000160853257 618162060 /nfs/dbraw/zinc/16/20/60/618162060.db2.gz GZFJSGCNEZADAF-UHFFFAOYSA-N 0 1 276.355 3.425 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@@H](C)[C@H](C)O1 ZINC000783737083 618917071 /nfs/dbraw/zinc/91/70/71/618917071.db2.gz JMVPHOGLARCYLX-UTLUCORTSA-N 0 1 287.762 3.182 20 10 CGCDMN CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185615513 619063101 /nfs/dbraw/zinc/06/31/01/619063101.db2.gz JHYKVZYRFQHLGY-QWHCGFSZSA-N 0 1 283.387 3.227 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000840907449 619113174 /nfs/dbraw/zinc/11/31/74/619113174.db2.gz FAPSZDVTYCNQSY-ZSBIGDGJSA-N 0 1 283.799 3.400 20 10 CGCDMN CCOC[C@H]1CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840918182 619137560 /nfs/dbraw/zinc/13/75/60/619137560.db2.gz DSHPUFZOMMHCTH-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN CCOC[C@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840918182 619137562 /nfs/dbraw/zinc/13/75/62/619137562.db2.gz DSHPUFZOMMHCTH-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN CCOC[C@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840918182 619137564 /nfs/dbraw/zinc/13/75/64/619137564.db2.gz DSHPUFZOMMHCTH-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1ccc(O)c([C@@H](C)NCc2nccn2CC(C)C)c1 ZINC000185545828 625374645 /nfs/dbraw/zinc/37/46/45/625374645.db2.gz IUSHWAIRTXHNTH-CQSZACIVSA-N 0 1 287.407 3.404 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2CCC3(COC3)CC2)cc1Cl ZINC000895695395 619873142 /nfs/dbraw/zinc/87/31/42/619873142.db2.gz XKDRULSJCDKRMC-UHFFFAOYSA-N 0 1 295.810 3.403 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CCn2cccc2C1 ZINC000896761664 620057497 /nfs/dbraw/zinc/05/74/97/620057497.db2.gz TVXAGPVZOBUJRE-UHFFFAOYSA-N 0 1 280.730 3.002 20 10 CGCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Cl)c1cncs1 ZINC000897934259 620448378 /nfs/dbraw/zinc/44/83/78/620448378.db2.gz GMXWTJNLLSWCOX-MRVPVSSYSA-N 0 1 268.769 3.353 20 10 CGCDMN C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc2ccccc2c1[O-] ZINC000157444533 622906750 /nfs/dbraw/zinc/90/67/50/622906750.db2.gz GQEWXDYZWUBOLT-CYBMUJFWSA-N 0 1 285.387 3.359 20 10 CGCDMN Cc1csc([C@H](C)NCc2cc(F)ccc2O)n1 ZINC000226590741 622987064 /nfs/dbraw/zinc/98/70/64/622987064.db2.gz UZYAONDGYPXOJH-VIFPVBQESA-N 0 1 266.341 3.147 20 10 CGCDMN CC[C@@H](CCO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168794878 623016010 /nfs/dbraw/zinc/01/60/10/623016010.db2.gz DZFTWMOQTNULBP-JSGCOSHPSA-N 0 1 273.376 3.357 20 10 CGCDMN CS[C@@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000230698209 623263275 /nfs/dbraw/zinc/26/32/75/623263275.db2.gz RGJOXXVEZKFGQY-NXEZZACHSA-N 0 1 271.813 3.419 20 10 CGCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCCCC1 ZINC000083552074 625646134 /nfs/dbraw/zinc/64/61/34/625646134.db2.gz RDLFAMZPVYKXHF-LBPRGKRZSA-N 0 1 282.815 3.010 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccc(O)cc1 ZINC000083552224 625647741 /nfs/dbraw/zinc/64/77/41/625647741.db2.gz PUJPBTPHWXTFFO-UHFFFAOYSA-N 0 1 277.751 3.084 20 10 CGCDMN c1ccc2c(c1)OC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000921691244 625843462 /nfs/dbraw/zinc/84/34/62/625843462.db2.gz VATJOMMYSPGFOU-MRXNPFEDSA-N 0 1 281.355 3.235 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCS1 ZINC000922843338 626055998 /nfs/dbraw/zinc/05/59/98/626055998.db2.gz QASBUCHZGWTIBR-SKDRFNHKSA-N 0 1 271.813 3.419 20 10 CGCDMN CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cnn(C)c1 ZINC000922893886 626091236 /nfs/dbraw/zinc/09/12/36/626091236.db2.gz JMGIELUQQZGYIR-HNNXBMFYSA-N 0 1 293.798 3.266 20 10 CGCDMN CC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000842927806 626291937 /nfs/dbraw/zinc/29/19/37/626291937.db2.gz GVKQJZPVFSMLNH-NDMJEZRESA-N 0 1 269.772 3.264 20 10 CGCDMN C[C@@H](N[C@@H](C)c1ccn(C)n1)c1cc2c(cc1O)CCCC2 ZINC000840818802 626322026 /nfs/dbraw/zinc/32/20/26/626322026.db2.gz ZSWVKTAODHHYMS-OLZOCXBDSA-N 0 1 299.418 3.416 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839186622 626327620 /nfs/dbraw/zinc/32/76/20/626327620.db2.gz MJMBNWLLWUTIBM-ICCXJUOJSA-N 0 1 251.757 3.324 20 10 CGCDMN C[C@H]1C[NH+](Cc2c([O-])ccc3ccncc32)C[C@@H]1C ZINC000751930825 626412278 /nfs/dbraw/zinc/41/22/78/626412278.db2.gz UXDCTYAQDLZEQA-RYUDHWBXSA-N 0 1 256.349 3.028 20 10 CGCDMN C[C@@H]1C[C@@H](NCc2nccs2)c2c1c(F)ccc2O ZINC000756443926 626706337 /nfs/dbraw/zinc/70/63/37/626706337.db2.gz WHAISAGHNSUIRJ-PSASIEDQSA-N 0 1 278.352 3.326 20 10 CGCDMN C[C@H]([NH2+]CCN1CCC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000756618150 626721254 /nfs/dbraw/zinc/72/12/54/626721254.db2.gz RIJJWHZHAJIMSC-NEPJUHHUSA-N 0 1 282.815 3.181 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C1CCOCC1 ZINC000756627367 626721321 /nfs/dbraw/zinc/72/13/21/626721321.db2.gz HPMPOTCCWQZOET-NHYWBVRUSA-N 0 1 281.371 3.387 20 10 CGCDMN CC[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756646383 626724030 /nfs/dbraw/zinc/72/40/30/626724030.db2.gz MSHVZUFPITZICH-NQBHXWOUSA-N 0 1 281.371 3.078 20 10 CGCDMN COCCC1(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756762442 626730018 /nfs/dbraw/zinc/73/00/18/626730018.db2.gz ZZINHUSMLHKQLR-AAEUAGOBSA-N 0 1 293.382 3.486 20 10 CGCDMN C[C@@H]([NH2+]Cc1cccc(F)n1)c1cc(Cl)ccc1[O-] ZINC000756768243 626730713 /nfs/dbraw/zinc/73/07/13/626730713.db2.gz KYSDQYJVNVKSSG-SECBINFHSA-N 0 1 280.730 3.431 20 10 CGCDMN CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000756789600 626732492 /nfs/dbraw/zinc/73/24/92/626732492.db2.gz HUSJLBSJULUBEW-IAQYHMDHSA-N 0 1 297.826 3.493 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](CO)CC(F)F)c1cc(Cl)ccc1[O-] ZINC000760040577 626937328 /nfs/dbraw/zinc/93/73/28/626937328.db2.gz SQJYEWQDLNJALK-MWLCHTKSSA-N 0 1 293.741 3.102 20 10 CGCDMN CCn1cc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000768257125 627470973 /nfs/dbraw/zinc/47/09/73/627470973.db2.gz GXVTWSJGLIMCHY-UHFFFAOYSA-N 0 1 298.434 3.134 20 10 CGCDMN CCN(CC)c1ccc(CN2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000768537119 627485268 /nfs/dbraw/zinc/48/52/68/627485268.db2.gz MNGXCONBYSOTOP-LSDHHAIUSA-N 0 1 276.424 3.142 20 10 CGCDMN CCOc1ccc(CN(C)Cc2c(C)noc2C)c(O)c1 ZINC000768782707 627499020 /nfs/dbraw/zinc/49/90/20/627499020.db2.gz WQUJXCXDDGFTNX-UHFFFAOYSA-N 0 1 290.363 3.028 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC[C@H]2C)c1[O-] ZINC000771791411 627731916 /nfs/dbraw/zinc/73/19/16/627731916.db2.gz LCPHEVXSFHBWTE-BMIGLBTASA-N 0 1 279.355 3.402 20 10 CGCDMN CCN(C)c1ccc(CN2CC(C)(C)OC[C@@H]2C)cc1 ZINC000773887167 627925383 /nfs/dbraw/zinc/92/53/83/627925383.db2.gz CFQGHLHMUQIAOY-AWEZNQCLSA-N 0 1 276.424 3.142 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)CCCO)c1cc(Cl)ccc1[O-] ZINC000775512726 628102323 /nfs/dbraw/zinc/10/23/23/628102323.db2.gz MEHZHCNVWZAQSO-MFKMUULPSA-N 0 1 271.788 3.247 20 10 CGCDMN C[N@@H+](Cc1ccco1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775643884 628118359 /nfs/dbraw/zinc/11/83/59/628118359.db2.gz XAIRZKICEZZKBG-UHFFFAOYSA-N 0 1 269.703 3.410 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000775706794 628127705 /nfs/dbraw/zinc/12/77/05/628127705.db2.gz DMOVULRLISRBEP-DTORHVGOSA-N 0 1 257.736 3.273 20 10 CGCDMN Cc1cccc(C[N@H+](C)Cc2cccc(Cl)c2[O-])n1 ZINC000775716192 628128616 /nfs/dbraw/zinc/12/86/16/628128616.db2.gz RHEOLGWYFBEBFU-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN Cc1cc(Cl)cc(CNCc2ccc(F)cn2)c1O ZINC000776251681 628184552 /nfs/dbraw/zinc/18/45/52/628184552.db2.gz SUJGQPPSSGICQW-UHFFFAOYSA-N 0 1 280.730 3.178 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1O ZINC000779432242 628413359 /nfs/dbraw/zinc/41/33/59/628413359.db2.gz PQLMPRHVHGSJDG-UKRRQHHQSA-N 0 1 297.826 3.275 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1O ZINC000779432242 628413361 /nfs/dbraw/zinc/41/33/61/628413361.db2.gz PQLMPRHVHGSJDG-UKRRQHHQSA-N 0 1 297.826 3.275 20 10 CGCDMN C[C@H]1C[C@H](CC[NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000784643679 628826942 /nfs/dbraw/zinc/82/69/42/628826942.db2.gz NRFQYZMATKPUGL-NWDGAFQWSA-N 0 1 283.799 3.340 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]2C)c1[O-] ZINC000787994707 629038313 /nfs/dbraw/zinc/03/83/13/629038313.db2.gz KTMOMCNAJRTDSF-LKFCYVNXSA-N 0 1 265.328 3.012 20 10 CGCDMN Cc1cc(O)c(CN2Cc3ccc(O)cc3C2)cc1C ZINC000862449834 629380581 /nfs/dbraw/zinc/38/05/81/629380581.db2.gz KPUXHBUMSZYXLY-UHFFFAOYSA-N 0 1 269.344 3.230 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1Cl ZINC000862529540 629391294 /nfs/dbraw/zinc/39/12/94/629391294.db2.gz MMPQFUIRHVUDMI-SWLSCSKDSA-N 0 1 281.783 3.011 20 10 CGCDMN CC[C@@H](NCc1nnc(C)s1)c1ccc(C)cc1O ZINC000794820035 629581901 /nfs/dbraw/zinc/58/19/01/629581901.db2.gz ZYMWAJARLFDOOL-GFCCVEGCSA-N 0 1 277.393 3.101 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC[C@@H]2C)c2c1c(F)ccc2[O-] ZINC000797077087 629881831 /nfs/dbraw/zinc/88/18/31/629881831.db2.gz CDTPTRBFBGTIHD-UHXUPSOCSA-N 0 1 293.382 3.342 20 10 CGCDMN COc1cc(CN2CC[C@H](F)C2)c(O)c(C(C)(C)C)c1 ZINC000840107829 630596656 /nfs/dbraw/zinc/59/66/56/630596656.db2.gz ZCIPPPKLAQLTFD-LBPRGKRZSA-N 0 1 281.371 3.242 20 10 CGCDMN C[N@@H+](Cc1ccc(O)cc1)Cc1cccc(Cl)c1[O-] ZINC000809753634 630800205 /nfs/dbraw/zinc/80/02/05/630800205.db2.gz NTWXIXAWRWAPDP-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN CC[C@H]([NH2+]CC[C@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219503 630856109 /nfs/dbraw/zinc/85/61/09/630856109.db2.gz SZEATVVYFHUIIJ-CABZTGNLSA-N 0 1 291.313 3.223 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCC1(F)F ZINC000811778684 631119745 /nfs/dbraw/zinc/11/97/45/631119745.db2.gz KMQKFIZKKWTIHZ-LLVKDONJSA-N 0 1 292.329 3.418 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCC1(F)F ZINC000811778684 631119748 /nfs/dbraw/zinc/11/97/48/631119748.db2.gz KMQKFIZKKWTIHZ-LLVKDONJSA-N 0 1 292.329 3.418 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCC1(F)F ZINC000811778684 631119752 /nfs/dbraw/zinc/11/97/52/631119752.db2.gz KMQKFIZKKWTIHZ-LLVKDONJSA-N 0 1 292.329 3.418 20 10 CGCDMN CCN(C)c1ccc(CN2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000815104799 631717606 /nfs/dbraw/zinc/71/76/06/631717606.db2.gz VLDSPDWKFRIYAH-KRWDZBQOSA-N 0 1 284.407 3.203 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816491166 631991191 /nfs/dbraw/zinc/99/11/91/631991191.db2.gz AWCCSAZSDGABCU-HNNXBMFYSA-N 0 1 271.360 3.156 20 10 CGCDMN CO[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816491166 631991195 /nfs/dbraw/zinc/99/11/95/631991195.db2.gz AWCCSAZSDGABCU-HNNXBMFYSA-N 0 1 271.360 3.156 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816491166 631991197 /nfs/dbraw/zinc/99/11/97/631991197.db2.gz AWCCSAZSDGABCU-HNNXBMFYSA-N 0 1 271.360 3.156 20 10 CGCDMN COC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816509477 631997413 /nfs/dbraw/zinc/99/74/13/631997413.db2.gz RHINIZLZOCGFGJ-AWEZNQCLSA-N 0 1 285.387 3.404 20 10 CGCDMN COC[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816509477 631997419 /nfs/dbraw/zinc/99/74/19/631997419.db2.gz RHINIZLZOCGFGJ-AWEZNQCLSA-N 0 1 285.387 3.404 20 10 CGCDMN COC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816509477 631997425 /nfs/dbraw/zinc/99/74/25/631997425.db2.gz RHINIZLZOCGFGJ-AWEZNQCLSA-N 0 1 285.387 3.404 20 10 CGCDMN C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816513206 632000672 /nfs/dbraw/zinc/00/06/72/632000672.db2.gz JWKZZCFUQSCTMM-CJNGLKHVSA-N 0 1 285.387 3.281 20 10 CGCDMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816513206 632000675 /nfs/dbraw/zinc/00/06/75/632000675.db2.gz JWKZZCFUQSCTMM-CJNGLKHVSA-N 0 1 285.387 3.281 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816516833 632002477 /nfs/dbraw/zinc/00/24/77/632002477.db2.gz SNPCDCLAZAKWPK-DOTOQJQBSA-N 0 1 297.398 3.404 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816516833 632002481 /nfs/dbraw/zinc/00/24/81/632002481.db2.gz SNPCDCLAZAKWPK-DOTOQJQBSA-N 0 1 297.398 3.404 20 10 CGCDMN Cc1nn(C)c(C)c1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816545892 632007797 /nfs/dbraw/zinc/00/77/97/632007797.db2.gz MKNAZRYXBUPCOE-UHFFFAOYSA-N 0 1 295.386 3.186 20 10 CGCDMN CO[C@@H](C[NH2+]Cc1ccc2ccccc2c1[O-])C(C)C ZINC000816553674 632010558 /nfs/dbraw/zinc/01/05/58/632010558.db2.gz DDANUXHWSHMGCQ-INIZCTEOSA-N 0 1 273.376 3.306 20 10 CGCDMN COCCC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816557278 632011467 /nfs/dbraw/zinc/01/14/67/632011467.db2.gz KMHSEZGHWAPPFC-UHFFFAOYSA-N 0 1 285.387 3.452 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816559021 632011512 /nfs/dbraw/zinc/01/15/12/632011512.db2.gz VAHLJFDVQVMXGD-SWLSCSKDSA-N 0 1 271.360 3.203 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCC(F)(F)C1 ZINC000816559998 632013390 /nfs/dbraw/zinc/01/33/90/632013390.db2.gz BHRZCQRJHFXYPT-UHFFFAOYSA-N 0 1 265.662 3.026 20 10 CGCDMN CC[C@@]1(C)CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816586452 632017319 /nfs/dbraw/zinc/01/73/19/632017319.db2.gz IGKKIUWFULMABI-AWEZNQCLSA-N 0 1 287.762 3.186 20 10 CGCDMN C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816660523 632038938 /nfs/dbraw/zinc/03/89/38/632038938.db2.gz HJIDZAKLYHEUHC-UGSOOPFHSA-N 0 1 285.387 3.186 20 10 CGCDMN C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816660522 632039527 /nfs/dbraw/zinc/03/95/27/632039527.db2.gz HJIDZAKLYHEUHC-SCLBCKFNSA-N 0 1 285.387 3.186 20 10 CGCDMN CC[C@@H]1C[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC000817414762 632145036 /nfs/dbraw/zinc/14/50/36/632145036.db2.gz JQQZHQWCFWGXQN-VXGBXAGGSA-N 0 1 283.799 3.401 20 10 CGCDMN C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942159 632240763 /nfs/dbraw/zinc/24/07/63/632240763.db2.gz XMEFISKATSTVIL-RKDXNWHRSA-N 0 1 289.206 3.102 20 10 CGCDMN COc1ccc(N2CC[C@@H](CNc3cccc(C)n3)C2)cc1 ZINC000819933917 632541379 /nfs/dbraw/zinc/54/13/79/632541379.db2.gz ANCWSXLCRSPDNI-HNNXBMFYSA-N 0 1 297.402 3.337 20 10 CGCDMN COc1ccc(CNCc2c(F)cc(C)cc2F)c(O)c1 ZINC000822476637 632938934 /nfs/dbraw/zinc/93/89/34/632938934.db2.gz RLCWMBPLLRSFEJ-UHFFFAOYSA-N 0 1 293.313 3.277 20 10 CGCDMN CC[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Cl)ccc1[O-] ZINC000866442466 633133523 /nfs/dbraw/zinc/13/35/23/633133523.db2.gz MIYBDJQFZIXWBO-CMPLNLGQSA-N 0 1 293.741 3.102 20 10 CGCDMN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cc(Cl)ccc1[O-] ZINC000866446620 633135825 /nfs/dbraw/zinc/13/58/25/633135825.db2.gz VYYCMPKICFXTNA-RFEWNFQQSA-N 0 1 293.794 3.120 20 10 CGCDMN CC[C@@H](NCc1nn(C)cc1C(F)F)c1ccccc1O ZINC000866566353 633197346 /nfs/dbraw/zinc/19/73/46/633197346.db2.gz ZMCDCDDNCSLURW-GFCCVEGCSA-N 0 1 295.333 3.304 20 10 CGCDMN C[C@@H](CCCCO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824654954 633269637 /nfs/dbraw/zinc/26/96/37/633269637.db2.gz SKSXJXNGNQKFMF-ZDUSSCGKSA-N 0 1 273.376 3.186 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000824814743 633294227 /nfs/dbraw/zinc/29/42/27/633294227.db2.gz FAZHKJUQFPUFSP-ZANVPECISA-N 0 1 287.762 3.042 20 10 CGCDMN Cc1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000876581548 634862384 /nfs/dbraw/zinc/86/23/84/634862384.db2.gz MODWGEMLGCOGRE-UHFFFAOYSA-N 0 1 286.331 3.241 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H](CO)C(C)(C)C)cc1Cl ZINC000824905785 633304216 /nfs/dbraw/zinc/30/42/16/633304216.db2.gz CXWBHFKQXXFLDJ-CQSZACIVSA-N 0 1 285.815 3.193 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1Cl ZINC000824905785 633304219 /nfs/dbraw/zinc/30/42/19/633304219.db2.gz CXWBHFKQXXFLDJ-CQSZACIVSA-N 0 1 285.815 3.193 20 10 CGCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])[C@H](CO)CC(C)(C)C ZINC000825040624 633321110 /nfs/dbraw/zinc/32/11/10/633321110.db2.gz QENLCOCMUUZBFH-ZDUSSCGKSA-N 0 1 285.815 3.275 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H](CO)CC(C)(C)C ZINC000825040624 633321116 /nfs/dbraw/zinc/32/11/16/633321116.db2.gz QENLCOCMUUZBFH-ZDUSSCGKSA-N 0 1 285.815 3.275 20 10 CGCDMN Cc1cnccc1CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825379385 633350936 /nfs/dbraw/zinc/35/09/36/633350936.db2.gz PDDFSLFZDRESGH-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCCSCC2)cc1Cl ZINC000825450654 633355506 /nfs/dbraw/zinc/35/55/06/633355506.db2.gz KBLSXCOINCZFQC-UHFFFAOYSA-N 0 1 271.813 3.293 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCCSCC2)cc1Cl ZINC000825450654 633355508 /nfs/dbraw/zinc/35/55/08/633355508.db2.gz KBLSXCOINCZFQC-UHFFFAOYSA-N 0 1 271.813 3.293 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCCSCC2)cc1Cl ZINC000825450654 633355510 /nfs/dbraw/zinc/35/55/10/633355510.db2.gz KBLSXCOINCZFQC-UHFFFAOYSA-N 0 1 271.813 3.293 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H]2CCCOC2)cc1Cl ZINC000825469064 633356482 /nfs/dbraw/zinc/35/64/82/633356482.db2.gz UXULNSRVTDBRIG-VXGBXAGGSA-N 0 1 283.799 3.259 20 10 CGCDMN CC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000825634549 633369220 /nfs/dbraw/zinc/36/92/20/633369220.db2.gz OJYLUCIQAWBUSQ-OAHLLOKOSA-N 0 1 283.799 3.091 20 10 CGCDMN CC[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC000825634549 633369223 /nfs/dbraw/zinc/36/92/23/633369223.db2.gz OJYLUCIQAWBUSQ-OAHLLOKOSA-N 0 1 283.799 3.091 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CSC[C@@H]2C)cc1Cl ZINC000825886471 633386190 /nfs/dbraw/zinc/38/61/90/633386190.db2.gz PKGFXNZVUFJBFS-CABZTGNLSA-N 0 1 271.813 3.195 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1Cl ZINC000826097033 633405301 /nfs/dbraw/zinc/40/53/01/633405301.db2.gz MTRXLQFUAXQEGH-INIZCTEOSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1Cl ZINC000826097033 633405305 /nfs/dbraw/zinc/40/53/05/633405305.db2.gz MTRXLQFUAXQEGH-INIZCTEOSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(C)CC2(F)F)cc1Cl ZINC000827251669 633475367 /nfs/dbraw/zinc/47/53/67/633475367.db2.gz KPHQTXFCZRGRJY-LBPRGKRZSA-N 0 1 275.726 3.489 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506583 633495663 /nfs/dbraw/zinc/49/56/63/633495663.db2.gz JJBZYXSICDGSGW-IUCAKERBSA-N 0 1 255.720 3.027 20 10 CGCDMN C[C@@H]([NH2+]CCC1(CO)CCC1)c1cc(Cl)ccc1[O-] ZINC000846209501 636159398 /nfs/dbraw/zinc/15/93/98/636159398.db2.gz DXIWBSWZYVVULA-LLVKDONJSA-N 0 1 283.799 3.249 20 10 CGCDMN CCn1ccnc1[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000834768595 634239141 /nfs/dbraw/zinc/23/91/41/634239141.db2.gz CPSZDHDXMOVNKX-ZIAGYGMSSA-N 0 1 286.423 3.381 20 10 CGCDMN Cc1ccc([C@H](C)N[C@@H]2CCn3ccnc32)c(O)c1C ZINC000834833271 634251847 /nfs/dbraw/zinc/25/18/47/634251847.db2.gz XMKQFIQETZMFKM-GXTWGEPZSA-N 0 1 271.364 3.001 20 10 CGCDMN CCn1ccnc1CN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834880265 634263814 /nfs/dbraw/zinc/26/38/14/634263814.db2.gz QUYUHUKPRPXAOH-CMPLNLGQSA-N 0 1 289.354 3.086 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873157502 634265926 /nfs/dbraw/zinc/26/59/26/634265926.db2.gz ZXYHFMDTUUZVJG-RIEGTJTDSA-N 0 1 281.783 3.093 20 10 CGCDMN CCCc1ncc(CNC/C=C\c2ccc(N(C)C)cc2)o1 ZINC000835054303 634337770 /nfs/dbraw/zinc/33/77/70/634337770.db2.gz JGCMNFGAFCNXCP-ALCCZGGFSA-N 0 1 299.418 3.496 20 10 CGCDMN Cc1ncsc1C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876687028 634880814 /nfs/dbraw/zinc/88/08/14/634880814.db2.gz DEAQMBZNAQIMDL-UHFFFAOYSA-N 0 1 284.331 3.067 20 10 CGCDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000876723953 634886706 /nfs/dbraw/zinc/88/67/06/634886706.db2.gz JLGLTYJYIYZDAS-JTQLQIEISA-N 0 1 279.286 3.253 20 10 CGCDMN CC[C@H]1C[N@@H+](Cc2c(C)cccc2O)CCS1 ZINC000876747717 634891639 /nfs/dbraw/zinc/89/16/39/634891639.db2.gz KUZMVNBNVBGNPT-LBPRGKRZSA-N 0 1 251.395 3.028 20 10 CGCDMN Cc1ccc(CN(C)Cc2cnc(C(C)C)nc2)c(O)c1 ZINC000877499420 635062502 /nfs/dbraw/zinc/06/25/02/635062502.db2.gz PDQPAYPWNXNSJR-UHFFFAOYSA-N 0 1 285.391 3.246 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2nc(Cl)cs2)c1 ZINC000877534084 635076149 /nfs/dbraw/zinc/07/61/49/635076149.db2.gz XMPMDGHJCKQZMF-QMMMGPOBSA-N 0 1 298.795 3.362 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2CCSCC2)c(Cl)c1 ZINC000840890857 635076631 /nfs/dbraw/zinc/07/66/31/635076631.db2.gz SEMYMXMIUUVKNK-UHFFFAOYSA-N 0 1 271.813 3.339 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)C[C@H](C)O)c(Cl)c1 ZINC000840898889 635078343 /nfs/dbraw/zinc/07/83/43/635078343.db2.gz GZVBQGLWXVDCNZ-NSHDSACASA-N 0 1 285.815 3.241 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCc2ccccn2)c(Cl)c1 ZINC000840908384 635080127 /nfs/dbraw/zinc/08/01/27/635080127.db2.gz WGDPGYFAIYFPKO-UHFFFAOYSA-N 0 1 290.794 3.471 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](C)C2)c(Cl)c1 ZINC000840908875 635080499 /nfs/dbraw/zinc/08/04/99/635080499.db2.gz YPMPVXQWZHSTLX-MNOVXSKESA-N 0 1 269.772 3.011 20 10 CGCDMN COC[C@@]1(C)CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840950633 635090643 /nfs/dbraw/zinc/09/06/43/635090643.db2.gz MDIIPUHRGDOPEQ-HNNXBMFYSA-N 0 1 283.799 3.212 20 10 CGCDMN COC[C@@]1(C)CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840950633 635090644 /nfs/dbraw/zinc/09/06/44/635090644.db2.gz MDIIPUHRGDOPEQ-HNNXBMFYSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]2C2CC2)c(Cl)c1 ZINC000840950790 635091561 /nfs/dbraw/zinc/09/15/61/635091561.db2.gz NTZQIYQYXMLGAT-ZDUSSCGKSA-N 0 1 251.757 3.338 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]2C2CC2)c(Cl)c1 ZINC000840950790 635091563 /nfs/dbraw/zinc/09/15/63/635091563.db2.gz NTZQIYQYXMLGAT-ZDUSSCGKSA-N 0 1 251.757 3.338 20 10 CGCDMN CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753347 635226846 /nfs/dbraw/zinc/22/68/46/635226846.db2.gz HELISUCVXUKRRB-NEPJUHHUSA-N 0 1 284.831 3.425 20 10 CGCDMN CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754219 635228410 /nfs/dbraw/zinc/22/84/10/635228410.db2.gz JAWGUGRJCXLXTD-ONGXEEELSA-N 0 1 257.761 3.121 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841758114 635231297 /nfs/dbraw/zinc/23/12/97/635231297.db2.gz SDDUOQQYPXKTGT-YGRLFVJLSA-N 0 1 283.799 3.247 20 10 CGCDMN CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757675 635231670 /nfs/dbraw/zinc/23/16/70/635231670.db2.gz FEEDCXJCFWBJOM-FIXISWKDSA-N 0 1 285.815 3.493 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2scnc2Cl)c1 ZINC000878361175 635474133 /nfs/dbraw/zinc/47/41/33/635474133.db2.gz WUOQNGAKNJAVBQ-MRVPVSSYSA-N 0 1 298.795 3.362 20 10 CGCDMN C[N@H+](CCC1CCOCC1)Cc1cc(Cl)ccc1[O-] ZINC000129650257 636330717 /nfs/dbraw/zinc/33/07/17/636330717.db2.gz AUVBZRVUEYCOOX-UHFFFAOYSA-N 0 1 283.799 3.294 20 10 CGCDMN C[N@@H+](CCC1CCOCC1)Cc1cc(Cl)ccc1[O-] ZINC000129650257 636330725 /nfs/dbraw/zinc/33/07/25/636330725.db2.gz AUVBZRVUEYCOOX-UHFFFAOYSA-N 0 1 283.799 3.294 20 10 CGCDMN CC(C)[C@H](NCc1cc(F)cc(F)c1O)C(F)(F)F ZINC000883100706 636541311 /nfs/dbraw/zinc/54/13/11/636541311.db2.gz IENDSTDQWJYZOM-NSHDSACASA-N 0 1 283.240 3.347 20 10 CGCDMN CCc1cccc(CNCc2cc(C(C)C)no2)c1O ZINC000848896371 636679776 /nfs/dbraw/zinc/67/97/76/636679776.db2.gz ZSASMDFAADZMSO-UHFFFAOYSA-N 0 1 274.364 3.356 20 10 CGCDMN CCc1cccc(CN[C@H](C)c2nnc(C(C)C)[nH]2)c1O ZINC000848900759 636681790 /nfs/dbraw/zinc/68/17/90/636681790.db2.gz PZLMVHOOFHDJST-LLVKDONJSA-N 0 1 288.395 3.047 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000850392996 637045315 /nfs/dbraw/zinc/04/53/15/637045315.db2.gz PIKGSSWQEUPKEX-MSRIBSCDSA-N 0 1 251.757 3.242 20 10 CGCDMN CSCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134908042 637050278 /nfs/dbraw/zinc/05/02/78/637050278.db2.gz IKBKNAAZAJVLJR-QMMMGPOBSA-N 0 1 290.226 3.168 20 10 CGCDMN C[C@@H](N[C@@H](C)c1nccn1C)c1cc(Cl)ccc1O ZINC000850572194 637129495 /nfs/dbraw/zinc/12/94/95/637129495.db2.gz HXHUAWZHMVRBLJ-ZJUUUORDSA-N 0 1 279.771 3.191 20 10 CGCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1ccnc(F)c1 ZINC000859067295 639070112 /nfs/dbraw/zinc/07/01/12/639070112.db2.gz OCHJCXKVTVDJOT-UHFFFAOYSA-N 0 1 287.382 3.309 20 10 CGCDMN CCN(C)c1ccc(CN[C@H](C)c2ccns2)cc1 ZINC000860061767 639276362 /nfs/dbraw/zinc/27/63/62/639276362.db2.gz NKUYVFZCJGZDFI-GFCCVEGCSA-N 0 1 275.421 3.450 20 10 CGCDMN CCOC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(C)C ZINC000188866989 640156132 /nfs/dbraw/zinc/15/61/32/640156132.db2.gz ZVNRUGDDPGIODM-ZDUSSCGKSA-N 0 1 271.788 3.196 20 10 CGCDMN C[C@H]1OCCN(Cc2ccc(N3CCCCC3)cc2)[C@@H]1C ZINC000093417770 640770720 /nfs/dbraw/zinc/77/07/20/640770720.db2.gz ZFRLHTRQCZRKNS-HZPDHXFCSA-N 0 1 288.435 3.286 20 10 CGCDMN CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000037323212 798866614 /nfs/dbraw/zinc/86/66/14/798866614.db2.gz ZNKZUOQSLRHQJL-SECBINFHSA-N 0 1 269.772 3.479 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000383903821 799410065 /nfs/dbraw/zinc/41/00/65/799410065.db2.gz XBGWDESDJOMHTN-QMMMGPOBSA-N 0 1 261.699 3.323 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])[C@H](C)O ZINC000386713553 799439249 /nfs/dbraw/zinc/43/92/49/799439249.db2.gz QCCUKVLTPMUJDV-WQGACYEGSA-N 0 1 273.376 3.355 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCOC1 ZINC000401575532 799555716 /nfs/dbraw/zinc/55/57/16/799555716.db2.gz NSICBFGQCMJPPF-NSHDSACASA-N 0 1 290.190 3.310 20 10 CGCDMN CCc1nc(CNCc2cccc(CC)c2O)cs1 ZINC000691448677 799783271 /nfs/dbraw/zinc/78/32/71/799783271.db2.gz BNZSOFOPZDRPOQ-UHFFFAOYSA-N 0 1 276.405 3.263 20 10 CGCDMN CC(C)(C)OCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000695280541 799827956 /nfs/dbraw/zinc/82/79/56/799827956.db2.gz NYFULRDQPVHLSU-UHFFFAOYSA-N 0 1 271.788 3.340 20 10 CGCDMN COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000903129401 800594437 /nfs/dbraw/zinc/59/44/37/800594437.db2.gz VVWDDVJXWXRVOW-FOGDFJRCSA-N 0 1 297.782 3.038 20 10 CGCDMN CC(C)[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001116507825 802367979 /nfs/dbraw/zinc/36/79/79/802367979.db2.gz UYHUNSFGBAARAS-GOSISDBHSA-N 0 1 288.435 3.144 20 10 CGCDMN CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC001117966352 802514098 /nfs/dbraw/zinc/51/40/98/802514098.db2.gz PUGBJGOCZLBBKD-CHWSQXEVSA-N 0 1 296.842 3.428 20 10 CGCDMN CN1CCCc2cc(C[N@@H+](C)C3CC(F)(F)C3)ccc21 ZINC001138354517 803900302 /nfs/dbraw/zinc/90/03/02/803900302.db2.gz MGWGAXROFWIDQO-UHFFFAOYSA-N 0 1 280.362 3.299 20 10 CGCDMN C[C@@]1(CO)CCC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC001140338125 804418812 /nfs/dbraw/zinc/41/88/12/804418812.db2.gz VYEMWMXBXMUSSK-OAHLLOKOSA-N 0 1 283.799 3.030 20 10 CGCDMN C[C@@]1(CO)CCC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC001140338125 804418815 /nfs/dbraw/zinc/41/88/15/804418815.db2.gz VYEMWMXBXMUSSK-OAHLLOKOSA-N 0 1 283.799 3.030 20 10 CGCDMN C[C@@]1(CO)CCC[N@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140462932 804441984 /nfs/dbraw/zinc/44/19/84/804441984.db2.gz OOHWWEBLMHMFDM-OAHLLOKOSA-N 0 1 283.799 3.030 20 10 CGCDMN C[C@@]1(CO)CCC[N@@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140462932 804441989 /nfs/dbraw/zinc/44/19/89/804441989.db2.gz OOHWWEBLMHMFDM-OAHLLOKOSA-N 0 1 283.799 3.030 20 10 CGCDMN [O-]c1cc(Cl)ccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC001140467218 804444382 /nfs/dbraw/zinc/44/43/82/804444382.db2.gz QBBNTLVABXUMDX-OAHLLOKOSA-N 0 1 294.826 3.106 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001140585730 804467868 /nfs/dbraw/zinc/46/78/68/804467868.db2.gz SHEILNCOXPRNNN-UHFFFAOYSA-N 0 1 297.345 3.204 20 10 CGCDMN Cc1cc([C@H]2CCCN2Cc2ccc(O)c(C)c2O)no1 ZINC001140742159 804503527 /nfs/dbraw/zinc/50/35/27/804503527.db2.gz JCHCNZNKAWXAHK-CQSZACIVSA-N 0 1 288.347 3.040 20 10 CGCDMN CCN(Cc1ccc(N(C)C)cc1Cl)C1CC1 ZINC001140921840 804548974 /nfs/dbraw/zinc/54/89/74/804548974.db2.gz RYYIGPVCMHVAHY-UHFFFAOYSA-N 0 1 252.789 3.390 20 10 CGCDMN CCN(Cc1ccccc1O)Cc1c(N)cccc1F ZINC001140877412 804541220 /nfs/dbraw/zinc/54/12/20/804541220.db2.gz NBDCXIMFWTYUGP-UHFFFAOYSA-N 0 1 274.339 3.136 20 10 CGCDMN Cc1nc2c(s1)CN(Cc1ccc(C)cc1O)CC2 ZINC001140950727 804557464 /nfs/dbraw/zinc/55/74/64/804557464.db2.gz FTYODRRQYMBQMI-UHFFFAOYSA-N 0 1 274.389 3.024 20 10 CGCDMN COc1cc(O)c(CN2CCCC[C@](C)(F)C2)c(OC)c1 ZINC001141032004 804574977 /nfs/dbraw/zinc/57/49/77/804574977.db2.gz PUOSFAAFYFEXKI-INIZCTEOSA-N 0 1 297.370 3.124 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC2(CCCC2)C1 ZINC001142525108 804731769 /nfs/dbraw/zinc/73/17/69/804731769.db2.gz XSHNWASGFHUCFH-UHFFFAOYSA-N 0 1 267.319 3.437 20 10 CGCDMN CCC(CC)[N@H+](CC)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249207379 805113725 /nfs/dbraw/zinc/11/37/25/805113725.db2.gz FDFOPPYSKXOJRA-UHFFFAOYSA-N 0 1 293.407 3.118 20 10 CGCDMN CCC(CC)[N@@H+](CC)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249207379 805113728 /nfs/dbraw/zinc/11/37/28/805113728.db2.gz FDFOPPYSKXOJRA-UHFFFAOYSA-N 0 1 293.407 3.118 20 10 CGCDMN CCCN(Cc1csnc1OC)Cc1ccccc1O ZINC001167521830 807202816 /nfs/dbraw/zinc/20/28/16/807202816.db2.gz KHUGGNIXHAUGPP-UHFFFAOYSA-N 0 1 292.404 3.270 20 10 CGCDMN [O-]c1cc2ccccc2cc1C[NH2+][C@@H]1CCCOCC1 ZINC001170791803 807907586 /nfs/dbraw/zinc/90/75/86/807907586.db2.gz FDLJPUGQIHYTEL-MRXNPFEDSA-N 0 1 271.360 3.204 20 10 CGCDMN CN1CC2(C1)CCC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC001276373977 809005633 /nfs/dbraw/zinc/00/56/33/809005633.db2.gz NCNZITUOIDDUGK-UHFFFAOYSA-N 0 1 296.414 3.073 20 10 CGCDMN CN1CC2(C1)CCC[N@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC001276373977 809005641 /nfs/dbraw/zinc/00/56/41/809005641.db2.gz NCNZITUOIDDUGK-UHFFFAOYSA-N 0 1 296.414 3.073 20 10 CGCDMN CN1CC2(C1)CCC[N@@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC001276373977 809005649 /nfs/dbraw/zinc/00/56/49/809005649.db2.gz NCNZITUOIDDUGK-UHFFFAOYSA-N 0 1 296.414 3.073 20 10 CGCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001181428122 810052101 /nfs/dbraw/zinc/05/21/01/810052101.db2.gz SACLKSNQXKJTFF-OAHLLOKOSA-N 0 1 285.334 3.061 20 10 CGCDMN C[C@@H]1CC2(C[N@H+]1Cc1cc(F)c(F)cc1[O-])CCOCC2 ZINC001182542887 810114516 /nfs/dbraw/zinc/11/45/16/810114516.db2.gz HRHICXSEEAIFQL-LLVKDONJSA-N 0 1 297.345 3.061 20 10 CGCDMN Cc1ccc(O)c(CNCc2c(Cl)ccnc2F)c1 ZINC001182959255 810132036 /nfs/dbraw/zinc/13/20/36/810132036.db2.gz ISESDGJXIYQOBV-UHFFFAOYSA-N 0 1 280.730 3.178 20 10 CGCDMN Cc1ccc(O)c(CNCc2nc(-c3ccccc3)c[nH]2)c1 ZINC001182958818 810132477 /nfs/dbraw/zinc/13/24/77/810132477.db2.gz DDEPSSAHGNLZLG-UHFFFAOYSA-N 0 1 293.370 3.381 20 10 CGCDMN CO[C@@H](C[NH2+]Cc1ccc(Cl)cc1[O-])C1CCCC1 ZINC001183059019 810136209 /nfs/dbraw/zinc/13/62/09/810136209.db2.gz JNJIAHKMKCHYFH-HNNXBMFYSA-N 0 1 283.799 3.340 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC001183406121 810148091 /nfs/dbraw/zinc/14/80/91/810148091.db2.gz BXEUMEGPXYEYHD-XJKSGUPXSA-N 0 1 295.810 3.340 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]CC1(Br)CC1 ZINC001184115270 810177970 /nfs/dbraw/zinc/17/79/70/810177970.db2.gz BRRAHYOOFDBBGU-UHFFFAOYSA-N 0 1 290.588 3.063 20 10 CGCDMN CC[C@@H](C)C[C@H](C)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626241 810921096 /nfs/dbraw/zinc/92/10/96/810921096.db2.gz SVAFXLXYULFJBJ-BDAKNGLRSA-N 0 1 285.771 3.306 20 10 CGCDMN C[C@@H]1CCCC[C@H]1CNC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626234 810921409 /nfs/dbraw/zinc/92/14/09/810921409.db2.gz SSAIDQFLXBMRLY-ZJUUUORDSA-N 0 1 297.782 3.307 20 10 CGCDMN CC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203584617 812400680 /nfs/dbraw/zinc/40/06/80/812400680.db2.gz DJHQIJDDVWYAML-SECBINFHSA-N 0 1 288.174 3.110 20 10 CGCDMN COc1ccc(C[N@H+]2CCc3cccc(O)c3C2)cc1F ZINC001203792565 812464164 /nfs/dbraw/zinc/46/41/64/812464164.db2.gz XJBWNAYLQLCKQU-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN COc1ccc(CN2CCc3cccc(O)c3C2)cc1F ZINC001203792565 812464166 /nfs/dbraw/zinc/46/41/66/812464166.db2.gz XJBWNAYLQLCKQU-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC001206116809 813205370 /nfs/dbraw/zinc/20/53/70/813205370.db2.gz TUJWHUJJDDEQNN-NSHDSACASA-N 0 1 267.319 3.292 20 10 CGCDMN CCC1(C)CN(Cc2ccc(Br)cc2O)C1 ZINC001206194521 813234755 /nfs/dbraw/zinc/23/47/55/813234755.db2.gz HSOOYBHJUJEKLQ-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN 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1 293.407 3.194 20 10 CGCDMN c1ccn(-c2ccc(-c3nnc([C@@H]4CCCCN4)o3)cc2)c1 ZINC001217694289 815938493 /nfs/dbraw/zinc/93/84/93/815938493.db2.gz GDZDRKYATIBGIN-HNNXBMFYSA-N 0 1 294.358 3.342 20 10 CGCDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)c(O)c1 ZINC001231452276 818102641 /nfs/dbraw/zinc/10/26/41/818102641.db2.gz JUZXBWJRXCHWAY-MRXNPFEDSA-N 0 1 297.354 3.428 20 10 CGCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001231566469 818124112 /nfs/dbraw/zinc/12/41/12/818124112.db2.gz LSRBATKIWZYWIB-TZMCWYRMSA-N 0 1 289.375 3.103 20 10 CGCDMN CC[N@@H+](Cc1cccs1)Cc1cc(C(=O)[O-])ccc1O ZINC001231565591 818124723 /nfs/dbraw/zinc/12/47/23/818124723.db2.gz HRUSVUOSNKCBNP-UHFFFAOYSA-N 0 1 291.372 3.174 20 10 CGCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC001231561341 818124826 /nfs/dbraw/zinc/12/48/26/818124826.db2.gz SGXWTJHPCABDIP-HNNXBMFYSA-N 0 1 297.354 3.080 20 10 CGCDMN Oc1ccc2ccccc2c1C[N@H+]1CCCCC12COC2 ZINC001231590403 818129175 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10 CGCDMN CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])CC1(C)C ZINC001462254764 937627792 /nfs/dbraw/zinc/62/77/92/937627792.db2.gz JLJCKFVGXZBXOA-AWEZNQCLSA-N 0 1 283.799 3.293 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])CC1(C)C ZINC001462254764 937627794 /nfs/dbraw/zinc/62/77/94/937627794.db2.gz JLJCKFVGXZBXOA-AWEZNQCLSA-N 0 1 283.799 3.293 20 10 CGCDMN C[C@H](O)[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001462479303 937644344 /nfs/dbraw/zinc/64/43/44/937644344.db2.gz NOSUIAHZXQPMOP-MEDUHNTESA-N 0 1 291.778 3.257 20 10 CGCDMN C[C@]12C[N@@H+](Cc3cccc(F)c3[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001462617659 937654489 /nfs/dbraw/zinc/65/44/89/937654489.db2.gz KHVXJBHOBZZWCP-XZBIERFOSA-N 0 1 273.351 3.175 20 10 CGCDMN CO[C@H]1C[C@@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C12CCC2 ZINC001308431681 933110650 /nfs/dbraw/zinc/11/06/50/933110650.db2.gz SNWFINBLOIQELG-CABCVRRESA-N 0 1 295.810 3.401 20 10 CGCDMN Cc1ccc([C@H](O)C[NH2+]Cc2ccc(Cl)cc2[O-])cc1 ZINC001308724895 933166131 /nfs/dbraw/zinc/16/61/31/933166131.db2.gz UMKBXICUWBJDGC-MRXNPFEDSA-N 0 1 291.778 3.177 20 10 CGCDMN CO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCC2 ZINC001308763946 933172297 /nfs/dbraw/zinc/17/22/97/933172297.db2.gz CIPFROYXBWVTJN-GJZGRUSLSA-N 0 1 297.345 3.060 20 10 CGCDMN CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001320072074 933993412 /nfs/dbraw/zinc/99/34/12/933993412.db2.gz QWBCIWJBKWCLON-KGLIPLIRSA-N 0 1 282.815 3.008 20 10 CGCDMN CCN(Cc1cnn(C)c1)Cc1ccc(N2CCCC2)cc1 ZINC001320494508 934055447 /nfs/dbraw/zinc/05/54/47/934055447.db2.gz RXFONTGLKFSQOP-UHFFFAOYSA-N 0 1 298.434 3.042 20 10 CGCDMN CC[C@]1(C)CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001321703238 934204981 /nfs/dbraw/zinc/20/49/81/934204981.db2.gz VVEQJSIXNFZDFD-GOSISDBHSA-N 0 1 288.435 3.288 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c(Cl)c1 ZINC001328080005 935115227 /nfs/dbraw/zinc/11/52/27/935115227.db2.gz RDTIQNZUGFCIEQ-GUDFOSOFSA-N 0 1 287.737 3.487 20 10 CGCDMN Cc1cc(C)c(O)c(CN(C)Cc2ccns2)c1 ZINC001333322095 935525998 /nfs/dbraw/zinc/52/59/98/935525998.db2.gz AUEWSLDULXGXIZ-UHFFFAOYSA-N 0 1 262.378 3.098 20 10 CGCDMN CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2O)C1 ZINC001337395955 936255756 /nfs/dbraw/zinc/25/57/56/936255756.db2.gz MSKXRFHEGWUPIY-CHWSQXEVSA-N 0 1 269.385 3.247 20 10 CGCDMN C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001474369536 937855547 /nfs/dbraw/zinc/85/55/47/937855547.db2.gz MNPIWEDAZZRZJP-ZJUUUORDSA-N 0 1 271.813 3.371 20 10 CGCDMN C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001474369536 937855549 /nfs/dbraw/zinc/85/55/49/937855549.db2.gz MNPIWEDAZZRZJP-ZJUUUORDSA-N 0 1 271.813 3.371 20 10 CGCDMN Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC001474394253 937857219 /nfs/dbraw/zinc/85/72/19/937857219.db2.gz FYRFPEMMRZMYDP-OAHLLOKOSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC001474394253 937857221 /nfs/dbraw/zinc/85/72/21/937857221.db2.gz FYRFPEMMRZMYDP-OAHLLOKOSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC001474394253 937857223 /nfs/dbraw/zinc/85/72/23/937857223.db2.gz FYRFPEMMRZMYDP-OAHLLOKOSA-N 0 1 295.810 3.437 20 10 CGCDMN Oc1ccc(F)cc1CNCc1noc2cc(F)ccc12 ZINC001474681112 937874943 /nfs/dbraw/zinc/87/49/43/937874943.db2.gz WTCARFNPGBWLHL-UHFFFAOYSA-N 0 1 290.269 3.101 20 10 CGCDMN C[C@@]1(c2ccccc2)CN(Cc2ccc(N)cc2)CCO1 ZINC001576561352 962469079 /nfs/dbraw/zinc/46/90/79/962469079.db2.gz KLLWIPUKLOJKDD-SFHVURJKSA-N 0 1 282.387 3.016 20 10 CGCDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(F)cn1 ZINC000092743104 345855700 /nfs/dbraw/zinc/85/57/00/345855700.db2.gz OXQOKSGLHXSPKE-ZDUSSCGKSA-N 0 1 299.393 3.454 20 10 CGCDMN Oc1ccccc1CN1CCc2[nH]c3ccccc3c2C1 ZINC000179555007 346253266 /nfs/dbraw/zinc/25/32/66/346253266.db2.gz ZXXSGTOIESTTDH-UHFFFAOYSA-N 0 1 278.355 3.432 20 10 CGCDMN Cc1ccccc1[C@@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000113342137 370471615 /nfs/dbraw/zinc/47/16/15/370471615.db2.gz UCISMOVNXYWNHD-INIZCTEOSA-N 0 1 291.778 3.177 20 10 CGCDMN C[C@@H]([NH2+]CC1=CCCOC1)c1cc(Cl)ccc1[O-] ZINC000287239841 371625675 /nfs/dbraw/zinc/62/56/75/371625675.db2.gz YSPLTKDDBRZMPM-SNVBAGLBSA-N 0 1 267.756 3.043 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000293973922 372542793 /nfs/dbraw/zinc/54/27/93/372542793.db2.gz QWUDVIHJTXLRLA-AWEZNQCLSA-N 0 1 299.773 3.064 20 10 CGCDMN C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000296653795 373209082 /nfs/dbraw/zinc/20/90/82/373209082.db2.gz ZCHMADLPBSYMOO-UWVGGRQHSA-N 0 1 271.788 3.246 20 10 CGCDMN COC[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccc(C)o1 ZINC000297516802 373274852 /nfs/dbraw/zinc/27/48/52/373274852.db2.gz CWORKZVUKVTSSJ-UONOGXRCSA-N 0 1 287.359 3.258 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000179878436 373935072 /nfs/dbraw/zinc/93/50/72/373935072.db2.gz HLYKRDGFWXVJSO-AWEZNQCLSA-N 0 1 294.826 3.106 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000179878436 373935074 /nfs/dbraw/zinc/93/50/74/373935074.db2.gz HLYKRDGFWXVJSO-AWEZNQCLSA-N 0 1 294.826 3.106 20 10 CGCDMN Cc1cc(Cl)cc(CN[C@@H](CCO)c2ccco2)c1O ZINC000187528728 375036106 /nfs/dbraw/zinc/03/61/06/375036106.db2.gz GJOGCJGCEMWJRR-ZDUSSCGKSA-N 0 1 295.766 3.160 20 10 CGCDMN CC[C@@]1(CO)CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000190226946 375486646 /nfs/dbraw/zinc/48/66/46/375486646.db2.gz AUJVKHGENAEKRV-OAHLLOKOSA-N 0 1 283.799 3.030 20 10 CGCDMN [O-]c1c(F)cccc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000272332568 378614100 /nfs/dbraw/zinc/61/41/00/378614100.db2.gz WTZDMNRYWJBWNT-UHFFFAOYSA-N 0 1 275.245 3.226 20 10 CGCDMN Cc1ccc([C@@H](C)NCc2nccs2)c(O)c1C ZINC000273399582 378743370 /nfs/dbraw/zinc/74/33/70/378743370.db2.gz MUIBWWUPFWYNRH-LLVKDONJSA-N 0 1 262.378 3.316 20 10 CGCDMN C[C@@H](c1cccnc1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000273379573 378744400 /nfs/dbraw/zinc/74/44/00/378744400.db2.gz HKJSGVVQOKNOAE-ZDUSSCGKSA-N 0 1 287.382 3.480 20 10 CGCDMN C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000273475306 378748012 /nfs/dbraw/zinc/74/80/12/378748012.db2.gz KNLYUWSPIAUPSZ-KGLIPLIRSA-N 0 1 295.386 3.481 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@H]1CCOC1 ZINC000273622756 378758279 /nfs/dbraw/zinc/75/82/79/378758279.db2.gz ZOHQEGAJNRFTMR-OUAUKWLOSA-N 0 1 269.772 3.121 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000274035267 378767353 /nfs/dbraw/zinc/76/73/53/378767353.db2.gz BWYHDICNUNRJPR-NHYWBVRUSA-N 0 1 281.783 3.093 20 10 CGCDMN C[C@@H]([NH2+]CCCCCO)c1ccc2ccccc2c1[O-] ZINC000192926276 227387368 /nfs/dbraw/zinc/38/73/68/227387368.db2.gz MGBOGKSFYBCLAA-CYBMUJFWSA-N 0 1 273.376 3.359 20 10 CGCDMN C[C@@H]([NH2+]CCc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000184980331 262035536 /nfs/dbraw/zinc/03/55/36/262035536.db2.gz ZKXZVPORUGOWSD-LLVKDONJSA-N 0 1 276.767 3.334 20 10 CGCDMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000289756032 263111753 /nfs/dbraw/zinc/11/17/53/263111753.db2.gz QWBQZHVEABDHLM-GXTWGEPZSA-N 0 1 281.371 3.047 20 10 CGCDMN C[C@@H](N[C@H]1CCc2cccc(O)c21)c1c(F)cncc1F ZINC000297348417 278387407 /nfs/dbraw/zinc/38/74/07/278387407.db2.gz PAISRGGRKTTYBY-RNCFNFMXSA-N 0 1 290.313 3.404 20 10 CGCDMN CC1CC([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000165128271 331305930 /nfs/dbraw/zinc/30/59/30/331305930.db2.gz DKWNBADXKGKGCK-UHFFFAOYSA-N 0 1 270.170 3.043 20 10 CGCDMN CCCN(Cc1n[nH]c(C(C)C)n1)Cc1ccccc1O ZINC000292541279 521693062 /nfs/dbraw/zinc/69/30/62/521693062.db2.gz QACJIDDIHJZXFX-UHFFFAOYSA-N 0 1 288.395 3.046 20 10 CGCDMN CN(C)c1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1F ZINC000292739803 522180282 /nfs/dbraw/zinc/18/02/82/522180282.db2.gz HGUAKTTUQJRVTJ-CABCVRRESA-N 0 1 298.352 3.369 20 10 CGCDMN C[C@@H]([NH2+]CC1(C)COC1)c1ccc2ccccc2c1[O-] ZINC000094721582 525418731 /nfs/dbraw/zinc/41/87/31/525418731.db2.gz MOVWKUVVMLYLMS-GFCCVEGCSA-N 0 1 271.360 3.233 20 10 CGCDMN CCC[N@H+](Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000728902762 571846754 /nfs/dbraw/zinc/84/67/54/571846754.db2.gz ONVYNBOHZVCLFO-UHFFFAOYSA-N 0 1 256.349 3.315 20 10 CGCDMN CCC[N@@H+](Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000728902762 571846758 /nfs/dbraw/zinc/84/67/58/571846758.db2.gz ONVYNBOHZVCLFO-UHFFFAOYSA-N 0 1 256.349 3.315 20 10 CGCDMN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1C=CCCC1 ZINC000739794251 572424130 /nfs/dbraw/zinc/42/41/30/572424130.db2.gz XJTMICFSAQAVGP-CYBMUJFWSA-N 0 1 295.766 3.041 20 10 CGCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCC[C@H](C)C1 ZINC000733324692 572555195 /nfs/dbraw/zinc/55/51/95/572555195.db2.gz TXKNGQZSLLVJPS-STQMWFEESA-N 0 1 296.842 3.256 20 10 CGCDMN CC[N@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)CC1CC1 ZINC000737102006 572860756 /nfs/dbraw/zinc/86/07/56/572860756.db2.gz PGEREKMKJHKDEX-UHFFFAOYSA-N 0 1 299.370 3.476 20 10 CGCDMN COc1c(C)cnc(CNCc2ccc(N(C)C)cc2)c1C ZINC000747852816 572951642 /nfs/dbraw/zinc/95/16/42/572951642.db2.gz IIVDIUHDJRMIEK-UHFFFAOYSA-N 0 1 299.418 3.063 20 10 CGCDMN C[C@H]1C[NH+](Cc2c([O-])cccc2Cl)C[C@H](C)S1 ZINC000120516732 617717398 /nfs/dbraw/zinc/71/73/98/617717398.db2.gz JDCUCFGUHVKCPY-UWVGGRQHSA-N 0 1 271.813 3.371 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000120515816 617717467 /nfs/dbraw/zinc/71/74/67/617717467.db2.gz FEVZBRCJWLBGNC-UHFFFAOYSA-N 0 1 281.714 3.180 20 10 CGCDMN CC(=O)c1cc(F)cc(CN(C)Cc2ccccc2)c1O ZINC000050132555 618650556 /nfs/dbraw/zinc/65/05/56/618650556.db2.gz FAKLUOOZHAKYPT-UHFFFAOYSA-N 0 1 287.334 3.366 20 10 CGCDMN c1ccc(CNCc2ccc(N3CCCCC3)cc2)nc1 ZINC000020091628 618975285 /nfs/dbraw/zinc/97/52/85/618975285.db2.gz WUYOHUDZIHODHV-UHFFFAOYSA-N 0 1 281.403 3.362 20 10 CGCDMN COc1ccc2c(c1)CN(Cc1cc(F)ccc1O)CC2 ZINC000179992705 619011503 /nfs/dbraw/zinc/01/15/03/619011503.db2.gz XRYNSNZALOEUPD-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN CC[C@H](C)[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184679657 619054149 /nfs/dbraw/zinc/05/41/49/619054149.db2.gz LZMYKGJRWSMYQR-VIFPVBQESA-N 0 1 257.761 3.285 20 10 CGCDMN CC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184679657 619054150 /nfs/dbraw/zinc/05/41/50/619054150.db2.gz LZMYKGJRWSMYQR-VIFPVBQESA-N 0 1 257.761 3.285 20 10 CGCDMN C[C@H]1c2cccn2CCN1Cc1cc(F)cc(F)c1O ZINC000893879440 619325997 /nfs/dbraw/zinc/32/59/97/619325997.db2.gz GGCGVTFWLIAFFK-JTQLQIEISA-N 0 1 278.302 3.049 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000895156026 619759517 /nfs/dbraw/zinc/75/95/17/619759517.db2.gz QGBXJNHBEMCHQF-UHFFFAOYSA-N 0 1 291.782 3.257 20 10 CGCDMN C[C@@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCOC2(CCC2)C1 ZINC000895822948 619890622 /nfs/dbraw/zinc/89/06/22/619890622.db2.gz PGPRRGAIYDCTEB-MRXNPFEDSA-N 0 1 293.382 3.360 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895842744 619892859 /nfs/dbraw/zinc/89/28/59/619892859.db2.gz FHVOESFPFMKNRL-IAQYHMDHSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895842744 619892863 /nfs/dbraw/zinc/89/28/63/619892863.db2.gz FHVOESFPFMKNRL-IAQYHMDHSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895869944 619900369 /nfs/dbraw/zinc/90/03/69/619900369.db2.gz KHOPDHSNAGORFQ-UHFFFAOYSA-N 0 1 295.810 3.221 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@H]1C1CC1 ZINC000862384993 620297851 /nfs/dbraw/zinc/29/78/51/620297851.db2.gz NHURQVRGQBQXDE-LBPRGKRZSA-N 0 1 282.181 3.139 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H]1C1CC1 ZINC000862384993 620297856 /nfs/dbraw/zinc/29/78/56/620297856.db2.gz NHURQVRGQBQXDE-LBPRGKRZSA-N 0 1 282.181 3.139 20 10 CGCDMN C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000903435280 621745583 /nfs/dbraw/zinc/74/55/83/621745583.db2.gz CCUFLIDGWQLLIR-CUOATXAZSA-N 0 1 281.783 3.121 20 10 CGCDMN Oc1ccccc1CNCc1cc(F)c(F)cc1F ZINC000225269599 622904452 /nfs/dbraw/zinc/90/44/52/622904452.db2.gz BLOSFXCSGSFSMM-UHFFFAOYSA-N 0 1 267.250 3.099 20 10 CGCDMN C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000228072729 623038620 /nfs/dbraw/zinc/03/86/20/623038620.db2.gz HNKJWDRGANAYJP-AVGNSLFASA-N 0 1 273.376 3.355 20 10 CGCDMN C[C@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000231750891 623338801 /nfs/dbraw/zinc/33/88/01/623338801.db2.gz PVPWLEQDQPLUEA-SSDOTTSWSA-N 0 1 267.678 3.476 20 10 CGCDMN CCC[C@H]1CN(Cc2cc(C)c(C)cc2O)CCO1 ZINC000152541597 623688907 /nfs/dbraw/zinc/68/89/07/623688907.db2.gz YNDMRSVXOWZHIU-HNNXBMFYSA-N 0 1 263.381 3.010 20 10 CGCDMN CC(C)[C@@H](C)[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000915208475 623917805 /nfs/dbraw/zinc/91/78/05/623917805.db2.gz NQUZCGCLMRFQTE-GFCCVEGCSA-N 0 1 258.365 3.417 20 10 CGCDMN CC(C)[C@@H](C)[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000915208475 623917823 /nfs/dbraw/zinc/91/78/23/623917823.db2.gz NQUZCGCLMRFQTE-GFCCVEGCSA-N 0 1 258.365 3.417 20 10 CGCDMN CC(C)[C@@H](C)[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000915208475 623917833 /nfs/dbraw/zinc/91/78/33/623917833.db2.gz NQUZCGCLMRFQTE-GFCCVEGCSA-N 0 1 258.365 3.417 20 10 CGCDMN O=[N+]([O-])c1ccccc1CN(Cc1ccccc1O)C1CC1 ZINC000179557525 624665825 /nfs/dbraw/zinc/66/58/25/624665825.db2.gz HLONMTGGTVOYDH-UHFFFAOYSA-N 0 1 298.342 3.465 20 10 CGCDMN CCc1nc(CN[C@@H](C)c2cc(OC)ccc2O)cs1 ZINC000182363230 624988288 /nfs/dbraw/zinc/98/82/88/624988288.db2.gz UHMFAXCQYYNONA-JTQLQIEISA-N 0 1 292.404 3.271 20 10 CGCDMN CCc1onc(C)c1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000922987280 626115343 /nfs/dbraw/zinc/11/53/43/626115343.db2.gz DATCIHLOMPDCKO-UHFFFAOYSA-N 0 1 280.755 3.194 20 10 CGCDMN CCc1onc(C)c1CNCc1ccc(OC)c(C)c1 ZINC000922989037 626116109 /nfs/dbraw/zinc/11/61/09/626116109.db2.gz XVJDHLXCWWEOOO-UHFFFAOYSA-N 0 1 274.364 3.152 20 10 CGCDMN C[C@H]([NH2+]CCN1CCC(C)CC1)c1cc(Cl)ccc1[O-] ZINC000756413090 626703307 /nfs/dbraw/zinc/70/33/07/626703307.db2.gz BOUVWWBQEOGHTL-ZDUSSCGKSA-N 0 1 296.842 3.428 20 10 CGCDMN CC[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccn(C)n1 ZINC000756496946 626709923 /nfs/dbraw/zinc/70/99/23/626709923.db2.gz KIZWTYIFCMJMOB-MRXNPFEDSA-N 0 1 298.434 3.043 20 10 CGCDMN Cc1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])[nH]n1 ZINC000756586673 626718670 /nfs/dbraw/zinc/71/86/70/626718670.db2.gz VGHYRCCIJCNRGN-LBPRGKRZSA-N 0 1 281.359 3.428 20 10 CGCDMN COCCC1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756762448 626730012 /nfs/dbraw/zinc/73/00/12/626730012.db2.gz ZZINHUSMLHKQLR-YPMHNXCESA-N 0 1 293.382 3.486 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC2(CCC2)C1 ZINC000758393265 626841305 /nfs/dbraw/zinc/84/13/05/626841305.db2.gz FAZJMOOBVDNGFA-UHFFFAOYSA-N 0 1 268.360 3.316 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC2(CCC2)C1 ZINC000758393265 626841307 /nfs/dbraw/zinc/84/13/07/626841307.db2.gz FAZJMOOBVDNGFA-UHFFFAOYSA-N 0 1 268.360 3.316 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccc2ccccc2c1[O-] ZINC000760038005 626937474 /nfs/dbraw/zinc/93/74/74/626937474.db2.gz LVRLKPVOQIKYAL-ZYHUDNBSSA-N 0 1 295.329 3.212 20 10 CGCDMN COc1cccc(O)c1CN(Cc1ccco1)C(C)C ZINC000768249733 627470684 /nfs/dbraw/zinc/47/06/84/627470684.db2.gz JCGHGLFZXVRBKQ-UHFFFAOYSA-N 0 1 275.348 3.404 20 10 CGCDMN C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccccc1O ZINC000770506226 627623172 /nfs/dbraw/zinc/62/31/72/627623172.db2.gz ZNHMRJKMHOALJP-SCLBCKFNSA-N 0 1 283.371 3.216 20 10 CGCDMN CCN(C)c1ccc(CN(C)Cc2ccc(OC)nc2)cc1 ZINC000773808780 627916571 /nfs/dbraw/zinc/91/65/71/627916571.db2.gz QMKDHHWAGLEASO-UHFFFAOYSA-N 0 1 299.418 3.178 20 10 CGCDMN CCN(C)c1ccc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000773887223 627924951 /nfs/dbraw/zinc/92/49/51/627924951.db2.gz DZPRHWLNYVIPNJ-ZNMIVQPWSA-N 0 1 276.424 3.140 20 10 CGCDMN CC[C@@H]([NH2+]C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775494280 628101077 /nfs/dbraw/zinc/10/10/77/628101077.db2.gz YXMMEMFZCTWPRI-CYBMUJFWSA-N 0 1 269.772 3.265 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@](C)(O)CC)c1cc(Cl)ccc1[O-] ZINC000775502848 628101689 /nfs/dbraw/zinc/10/16/89/628101689.db2.gz WLBYEGKZGLIZMR-OCCSQVGLSA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@@H]([NH2+][C@H](CCO)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775507770 628101956 /nfs/dbraw/zinc/10/19/56/628101956.db2.gz DYHOQSPDPOGVAW-ZIAGYGMSSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775501843 628102037 /nfs/dbraw/zinc/10/20/37/628102037.db2.gz LVAFRTFHMQMCCB-SWLSCSKDSA-N 0 1 294.826 3.323 20 10 CGCDMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775716370 628127358 /nfs/dbraw/zinc/12/73/58/628127358.db2.gz VGYWPIXSBQIRRC-RKDXNWHRSA-N 0 1 257.736 3.415 20 10 CGCDMN [O-]c1c(Cl)cccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000776022886 628159221 /nfs/dbraw/zinc/15/92/21/628159221.db2.gz BJUFKMAWOHKCQP-UHFFFAOYSA-N 0 1 294.826 3.010 20 10 CGCDMN COc1cccc(O)c1CNCc1ccc(Cl)cc1F ZINC000778182276 628332603 /nfs/dbraw/zinc/33/26/03/628332603.db2.gz VSRHEMXYXKMQMD-UHFFFAOYSA-N 0 1 295.741 3.483 20 10 CGCDMN CCOC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000779070985 628386508 /nfs/dbraw/zinc/38/65/08/628386508.db2.gz CMCYWMYAQKAJPT-UWVGGRQHSA-N 0 1 257.761 3.121 20 10 CGCDMN CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000779083599 628387825 /nfs/dbraw/zinc/38/78/25/628387825.db2.gz NIUQIJWPFXJTCG-IPYPFGDCSA-N 0 1 283.799 3.390 20 10 CGCDMN COc1cccc(O)c1CN1Cc2ccccc2OC[C@H]1C ZINC000783598484 628730655 /nfs/dbraw/zinc/73/06/55/628730655.db2.gz SZKBWTCOWREXPI-CYBMUJFWSA-N 0 1 299.370 3.184 20 10 CGCDMN CC[C@@H]([NH2+]CCc1cncn1C)c1cc(Cl)ccc1[O-] ZINC000788255383 629043545 /nfs/dbraw/zinc/04/35/45/629043545.db2.gz HOBOEGSTMCFTQX-CQSZACIVSA-N 0 1 293.798 3.063 20 10 CGCDMN CN(Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccc1O ZINC000788495128 629059610 /nfs/dbraw/zinc/05/96/10/629059610.db2.gz ZRVADFIGUNGJMH-UHFFFAOYSA-N 0 1 290.294 3.072 20 10 CGCDMN CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000790484663 629212686 /nfs/dbraw/zinc/21/26/86/629212686.db2.gz HFCHJGVOHKFJNH-OAHLLOKOSA-N 0 1 296.842 3.256 20 10 CGCDMN CCN(Cc1cnc(C)o1)Cc1ccc(N(C)C)cc1 ZINC000862212550 629323837 /nfs/dbraw/zinc/32/38/37/629323837.db2.gz UDRGMYDUXHVBRT-UHFFFAOYSA-N 0 1 273.380 3.071 20 10 CGCDMN CC1=CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792166159 629342492 /nfs/dbraw/zinc/34/24/92/629342492.db2.gz PPFOLSJBUYSCKK-UHFFFAOYSA-N 0 1 255.720 3.337 20 10 CGCDMN CC(C)Cn1ccnc1NCc1ccc(N(C)C)c(F)c1 ZINC000795806347 629718007 /nfs/dbraw/zinc/71/80/07/629718007.db2.gz VWLPBOIDXPHOEE-UHFFFAOYSA-N 0 1 290.386 3.356 20 10 CGCDMN CC(C)(C)C(F)(F)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000864052445 629745955 /nfs/dbraw/zinc/74/59/55/629745955.db2.gz LNMVDBXYUDUCNX-UHFFFAOYSA-N 0 1 279.277 3.441 20 10 CGCDMN Cc1cccc(CCC[NH2+]Cc2cc(Cl)ccc2[O-])n1 ZINC000796448851 629781800 /nfs/dbraw/zinc/78/18/00/629781800.db2.gz NITKTYILJIKROX-UHFFFAOYSA-N 0 1 290.794 3.471 20 10 CGCDMN Cn1ccnc1[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000796465260 629785658 /nfs/dbraw/zinc/78/56/58/629785658.db2.gz HSSVMLGACHZYEU-AWEZNQCLSA-N 0 1 291.782 3.020 20 10 CGCDMN Cn1ccnc1[C@@H](NCc1cc(Cl)ccc1O)C1CC1 ZINC000796465260 629785661 /nfs/dbraw/zinc/78/56/61/629785661.db2.gz HSSVMLGACHZYEU-AWEZNQCLSA-N 0 1 291.782 3.020 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)CCOC ZINC000801599200 630346308 /nfs/dbraw/zinc/34/63/08/630346308.db2.gz FGLUUEOPDKODJN-AWEZNQCLSA-N 0 1 265.397 3.419 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)CCOC ZINC000801599200 630346311 /nfs/dbraw/zinc/34/63/11/630346311.db2.gz FGLUUEOPDKODJN-AWEZNQCLSA-N 0 1 265.397 3.419 20 10 CGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N1CCCC1 ZINC000808478832 630649952 /nfs/dbraw/zinc/64/99/52/630649952.db2.gz AXIHDTHMZHUXMG-UHFFFAOYSA-N 0 1 289.162 3.004 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](C)CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219579 630856017 /nfs/dbraw/zinc/85/60/17/630856017.db2.gz TYQBHNISCDUXLQ-JOYOIKCWSA-N 0 1 291.313 3.223 20 10 CGCDMN CC[C@H]([NH2+]CCc1cn[nH]c1)c1cc(Cl)ccc1[O-] ZINC000810246487 630859232 /nfs/dbraw/zinc/85/92/32/630859232.db2.gz AXCXWRBGONLRJP-ZDUSSCGKSA-N 0 1 279.771 3.052 20 10 CGCDMN COCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000813883966 631476756 /nfs/dbraw/zinc/47/67/56/631476756.db2.gz YRZXMAKYKPBYMU-ZYHUDNBSSA-N 0 1 281.371 3.342 20 10 CGCDMN Cc1cc(CN2CCn3cccc3[C@H]2C)ccc1N(C)C ZINC000815011624 631704262 /nfs/dbraw/zinc/70/42/62/631704262.db2.gz UICNPAHPDONERK-OAHLLOKOSA-N 0 1 283.419 3.439 20 10 CGCDMN C[C@@H]1COCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816513850 632000432 /nfs/dbraw/zinc/00/04/32/632000432.db2.gz DOFYLDBJKPJPEW-ZDUSSCGKSA-N 0 1 271.360 3.014 20 10 CGCDMN C[C@@H]1COCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816513850 632000443 /nfs/dbraw/zinc/00/04/43/632000443.db2.gz DOFYLDBJKPJPEW-ZDUSSCGKSA-N 0 1 271.360 3.014 20 10 CGCDMN C[C@@H]1COCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816513850 632000447 /nfs/dbraw/zinc/00/04/47/632000447.db2.gz DOFYLDBJKPJPEW-ZDUSSCGKSA-N 0 1 271.360 3.014 20 10 CGCDMN [O-]c1c(C[NH2+]CC[C@H]2CCCO2)ccc2ccccc21 ZINC000816534241 632005272 /nfs/dbraw/zinc/00/52/72/632005272.db2.gz BXGOBRULYVQPBO-OAHLLOKOSA-N 0 1 271.360 3.204 20 10 CGCDMN CCOCC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816565686 632015258 /nfs/dbraw/zinc/01/52/58/632015258.db2.gz YMOADOLFTMFXCP-UHFFFAOYSA-N 0 1 259.349 3.014 20 10 CGCDMN CCOCC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816565686 632015260 /nfs/dbraw/zinc/01/52/60/632015260.db2.gz YMOADOLFTMFXCP-UHFFFAOYSA-N 0 1 259.349 3.014 20 10 CGCDMN CO[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@@H]1C ZINC000816586422 632017306 /nfs/dbraw/zinc/01/73/06/632017306.db2.gz HMFZYTGAHDSWCQ-GUYCJALGSA-N 0 1 285.387 3.402 20 10 CGCDMN CO[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@@H]1C ZINC000816586422 632017312 /nfs/dbraw/zinc/01/73/12/632017312.db2.gz HMFZYTGAHDSWCQ-GUYCJALGSA-N 0 1 285.387 3.402 20 10 CGCDMN CCCC[N@@H+](CCCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610944 632022617 /nfs/dbraw/zinc/02/26/17/632022617.db2.gz DDRFMIRLQBTCPW-UHFFFAOYSA-N 0 1 289.778 3.169 20 10 CGCDMN CO[C@H](C)C[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816609824 632023663 /nfs/dbraw/zinc/02/36/63/632023663.db2.gz NTUFUWXIIZITCT-GFCCVEGCSA-N 0 1 259.349 3.012 20 10 CGCDMN CO[C@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816609824 632023666 /nfs/dbraw/zinc/02/36/66/632023666.db2.gz NTUFUWXIIZITCT-GFCCVEGCSA-N 0 1 259.349 3.012 20 10 CGCDMN C[C@H](NCc1cc(Cl)c(F)cc1O)C(F)(F)F ZINC000816613435 632025033 /nfs/dbraw/zinc/02/50/33/632025033.db2.gz UKUWCOJZGCRBLN-YFKPBYRVSA-N 0 1 271.641 3.225 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1cccc(Cl)c1[O-] ZINC000817959789 632255109 /nfs/dbraw/zinc/25/51/09/632255109.db2.gz VCANBWMHRWJHNU-CHWSQXEVSA-N 0 1 270.804 3.070 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](C)N)c1ccc(Cl)c(Cl)c1[O-] ZINC000817973759 632266521 /nfs/dbraw/zinc/26/65/21/632266521.db2.gz WBXMGOZHCRFRQE-GMSGAONNSA-N 0 1 277.195 3.087 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CC12CC2)c1cc(Br)ccc1[O-] ZINC000818355497 632312869 /nfs/dbraw/zinc/31/28/69/632312869.db2.gz GYSHMIDLUBOQMT-PELKAZGASA-N 0 1 282.181 3.358 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865874778 632935064 /nfs/dbraw/zinc/93/50/64/632935064.db2.gz IOZBCLPGAOVONH-OAHLLOKOSA-N 0 1 283.799 3.076 20 10 CGCDMN C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000866443656 633133965 /nfs/dbraw/zinc/13/39/65/633133965.db2.gz RJXLNGXRYHGBCN-QYTUQVAYSA-N 0 1 269.772 3.262 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@@H]1CCOC1 ZINC000824575138 633261183 /nfs/dbraw/zinc/26/11/83/633261183.db2.gz BTMSXQFBBLRJPJ-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@@H]1CCOC1 ZINC000824575138 633261186 /nfs/dbraw/zinc/26/11/86/633261186.db2.gz BTMSXQFBBLRJPJ-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN CC[N@@H+](Cc1ccc(Br)cc1[O-])CC1CC1 ZINC000824801494 633292489 /nfs/dbraw/zinc/29/24/89/633292489.db2.gz AVIAIYKKHYLUDO-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN CC[N@H+](Cc1ccc(Br)cc1[O-])CC1CC1 ZINC000824801494 633292509 /nfs/dbraw/zinc/29/25/09/633292509.db2.gz AVIAIYKKHYLUDO-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN COC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000825322138 633345868 /nfs/dbraw/zinc/34/58/68/633345868.db2.gz YGWCOLMNZAOFDQ-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C[C@H]2CCOC2)cc1Cl ZINC000825347082 633348107 /nfs/dbraw/zinc/34/81/07/633348107.db2.gz IROGXKBTZXZONW-NWDGAFQWSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1Cl ZINC000825501503 633358725 /nfs/dbraw/zinc/35/87/25/633358725.db2.gz QMHJLVWQCONYNI-CQSZACIVSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1Cl ZINC000825501503 633358730 /nfs/dbraw/zinc/35/87/30/633358730.db2.gz QMHJLVWQCONYNI-CQSZACIVSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000825699063 633374934 /nfs/dbraw/zinc/37/49/34/633374934.db2.gz RVDHNELQELUAFZ-AWEZNQCLSA-N 0 1 296.842 3.270 20 10 CGCDMN Cc1cc(O)c(CN[C@@H](C)C[N@H+](C)C(C)C)cc1Cl ZINC000825943890 633390474 /nfs/dbraw/zinc/39/04/74/633390474.db2.gz LTHMLSYLRSAMCN-LBPRGKRZSA-N 0 1 284.831 3.172 20 10 CGCDMN CCCC[C@](C)(CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000842745443 633409365 /nfs/dbraw/zinc/40/93/65/633409365.db2.gz BAVZQHFOZZBUSA-CQSZACIVSA-N 0 1 271.788 3.076 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)O1 ZINC000827371373 633486090 /nfs/dbraw/zinc/48/60/90/633486090.db2.gz SOEUHHYPPZJAHC-ZJUUUORDSA-N 0 1 287.762 3.184 20 10 CGCDMN CCn1ccnc1[C@H](C)N[C@@H](C)c1ccccc1O ZINC000834894799 634272014 /nfs/dbraw/zinc/27/20/14/634272014.db2.gz MGRQFQFJBYZTRZ-RYUDHWBXSA-N 0 1 259.353 3.020 20 10 CGCDMN CCc1ncc(CN[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000834899593 634276356 /nfs/dbraw/zinc/27/63/56/634276356.db2.gz LBFHKDVTTRBXKX-LBPRGKRZSA-N 0 1 273.380 3.154 20 10 CGCDMN CCC1(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])COC1 ZINC000834899455 634276761 /nfs/dbraw/zinc/27/67/61/634276761.db2.gz KHWRZMQRJKBEJD-SNVBAGLBSA-N 0 1 269.772 3.123 20 10 CGCDMN CCc1noc(C)c1CNC/C=C\c1ccc(N(C)C)cc1 ZINC000835055929 634339345 /nfs/dbraw/zinc/33/93/45/634339345.db2.gz PSEOSSFNKCXEPY-SREVYHEPSA-N 0 1 299.418 3.414 20 10 CGCDMN CC1(C)C[C@H](C[NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000835060638 634341861 /nfs/dbraw/zinc/34/18/61/634341861.db2.gz SLKRXFCHMUUSSS-LLVKDONJSA-N 0 1 283.799 3.340 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC000126356993 634987104 /nfs/dbraw/zinc/98/71/04/634987104.db2.gz UJXXCITYVDGWSH-UHFFFAOYSA-N 0 1 272.732 3.184 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)N[C@H](C)c2ccn(C)n2)c1O ZINC000840815894 635057982 /nfs/dbraw/zinc/05/79/82/635057982.db2.gz QQLAVYFFXPSXKZ-WDEREUQCSA-N 0 1 293.798 3.499 20 10 CGCDMN Cc1cccc(O)c1CN(C)Cc1cnc(C(C)C)nc1 ZINC000877500063 635062314 /nfs/dbraw/zinc/06/23/14/635062314.db2.gz YJFXNGIADNVQOX-UHFFFAOYSA-N 0 1 285.391 3.246 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCOC(C)(C)C)c(Cl)c1 ZINC000840886642 635075393 /nfs/dbraw/zinc/07/53/93/635075393.db2.gz KHAAWLYZNWWTQM-UHFFFAOYSA-N 0 1 271.788 3.259 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](CO)C2)c2c1c(F)ccc2[O-] ZINC000840894987 635077829 /nfs/dbraw/zinc/07/78/29/635077829.db2.gz GPYDQUXRCPYGLQ-UHXUPSOCSA-N 0 1 293.382 3.220 20 10 CGCDMN CO[C@@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)C(C)C ZINC000840901522 635078975 /nfs/dbraw/zinc/07/89/75/635078975.db2.gz KFYBJINXNZRILI-AWEZNQCLSA-N 0 1 271.788 3.115 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCC(F)(F)F)c(Cl)c1 ZINC000840901468 635079148 /nfs/dbraw/zinc/07/91/48/635079148.db2.gz JVDLMKOKVHYMOL-UHFFFAOYSA-N 0 1 267.678 3.396 20 10 CGCDMN Cc1ncc(CN(C)Cc2ccc(N(C)C)cc2C)s1 ZINC000840910761 635080279 /nfs/dbraw/zinc/08/02/79/635080279.db2.gz LHLSYGVCKRPBST-UHFFFAOYSA-N 0 1 289.448 3.458 20 10 CGCDMN COCC[C@H](C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840955766 635093057 /nfs/dbraw/zinc/09/30/57/635093057.db2.gz WVAIPCBEPJTJTM-JTQLQIEISA-N 0 1 271.788 3.116 20 10 CGCDMN [O-]c1c(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)ccc2ccccc21 ZINC000877683022 635144012 /nfs/dbraw/zinc/14/40/12/635144012.db2.gz SCWNCMDSIMDLNY-RFEVWBHWSA-N 0 1 295.382 3.058 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)ccc2ccccc21 ZINC000877683019 635144358 /nfs/dbraw/zinc/14/43/58/635144358.db2.gz SCWNCMDSIMDLNY-OVLUMVCASA-N 0 1 295.382 3.058 20 10 CGCDMN Cc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])on1 ZINC000841748056 635223874 /nfs/dbraw/zinc/22/38/74/635223874.db2.gz VRVDZQOSQUXVSR-VIFPVBQESA-N 0 1 266.728 3.193 20 10 CGCDMN CC(C)[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(C)(C)O ZINC000841752351 635225462 /nfs/dbraw/zinc/22/54/62/635225462.db2.gz OQMXGBBSJAOPNE-YGRLFVJLSA-N 0 1 285.815 3.492 20 10 CGCDMN CCn1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841749802 635226088 /nfs/dbraw/zinc/22/60/88/635226088.db2.gz QQVFSRGOFZLEKD-JTQLQIEISA-N 0 1 279.771 3.113 20 10 CGCDMN CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753834 635227278 /nfs/dbraw/zinc/22/72/78/635227278.db2.gz WZOUTKXPLUZUIV-GUBZILKMSA-N 0 1 257.761 3.120 20 10 CGCDMN CCn1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841755596 635229706 /nfs/dbraw/zinc/22/97/06/635229706.db2.gz KBJKAIIKYVWDHU-JTQLQIEISA-N 0 1 279.771 3.113 20 10 CGCDMN CCn1ccc(CN[C@@H](C)c2ccc(Cl)cc2O)n1 ZINC000841755596 635229709 /nfs/dbraw/zinc/22/97/09/635229709.db2.gz KBJKAIIKYVWDHU-JTQLQIEISA-N 0 1 279.771 3.113 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@@H]1C ZINC000878150427 635379902 /nfs/dbraw/zinc/37/99/02/635379902.db2.gz DCHPKFQNWPQRKZ-ZIAGYGMSSA-N 0 1 263.381 3.029 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@@H]1C ZINC000878150427 635379908 /nfs/dbraw/zinc/37/99/08/635379908.db2.gz DCHPKFQNWPQRKZ-ZIAGYGMSSA-N 0 1 263.381 3.029 20 10 CGCDMN CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000843427941 635671132 /nfs/dbraw/zinc/67/11/32/635671132.db2.gz WUYCROFCSWIKKF-XJKSGUPXSA-N 0 1 287.403 3.432 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCC[C@@H](F)C1 ZINC000846121205 636148398 /nfs/dbraw/zinc/14/83/98/636148398.db2.gz WHXPFLONHZPRRY-SECBINFHSA-N 0 1 261.699 3.119 20 10 CGCDMN C[C@@H](NCc1ccn(C)n1)c1ccc2ccccc2c1O ZINC000212215788 636311314 /nfs/dbraw/zinc/31/13/14/636311314.db2.gz PWIZIOBGUIRQAG-GFCCVEGCSA-N 0 1 281.359 3.130 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000129964867 636401755 /nfs/dbraw/zinc/40/17/55/636401755.db2.gz KTYYERZAHJMPLP-LLVKDONJSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000129964867 636401760 /nfs/dbraw/zinc/40/17/60/636401760.db2.gz KTYYERZAHJMPLP-LLVKDONJSA-N 0 1 281.783 3.047 20 10 CGCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)C(=O)OC(C)(C)C ZINC000848566354 636609483 /nfs/dbraw/zinc/60/94/83/636609483.db2.gz VVQMCOIIMPDGRP-JTQLQIEISA-N 0 1 299.798 3.113 20 10 CGCDMN CCc1cccc(C[N@@H+](C)Cc2ccc(C)o2)c1O ZINC000848880973 636670833 /nfs/dbraw/zinc/67/08/33/636670833.db2.gz VGWSVUMBFVPDSK-UHFFFAOYSA-N 0 1 259.349 3.488 20 10 CGCDMN CCc1cccc(CNCc2cn3ccc(C)cc3n2)c1O ZINC000848894928 636679047 /nfs/dbraw/zinc/67/90/47/636679047.db2.gz HVPIAGFCSVNITE-UHFFFAOYSA-N 0 1 295.386 3.201 20 10 CGCDMN CCc1cccc(CN[C@H](C)c2c(F)cncc2F)c1O ZINC000848910487 636686247 /nfs/dbraw/zinc/68/62/47/636686247.db2.gz KBVOJYSHZSBOMR-SNVBAGLBSA-N 0 1 292.329 3.479 20 10 CGCDMN CCc1cccc(CN2CCCC[C@@H]2c2cc[nH]n2)c1O ZINC000848910319 636686596 /nfs/dbraw/zinc/68/65/96/636686596.db2.gz IUIPHKYTOFUDDN-MRXNPFEDSA-N 0 1 285.391 3.405 20 10 CGCDMN CCc1nocc1CN(C)Cc1cccc(CC)c1O ZINC000848914733 636689115 /nfs/dbraw/zinc/68/91/15/636689115.db2.gz RULHWGXIEYCTRX-UHFFFAOYSA-N 0 1 274.364 3.137 20 10 CGCDMN CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000850515434 637099274 /nfs/dbraw/zinc/09/92/74/637099274.db2.gz XXOLEKGLTONNFV-YUSALJHKSA-N 0 1 269.772 3.264 20 10 CGCDMN CCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000850554416 637119944 /nfs/dbraw/zinc/11/99/44/637119944.db2.gz JJEIGYMCCYREAI-AAEUAGOBSA-N 0 1 282.815 3.181 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC2(C)C)c2c1c(F)ccc2[O-] ZINC000850571196 637128935 /nfs/dbraw/zinc/12/89/35/637128935.db2.gz OODCZPLIZNVHJV-NQBHXWOUSA-N 0 1 293.382 3.484 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CC[C@@H](OC)C1 ZINC000851793048 637505746 /nfs/dbraw/zinc/50/57/46/637505746.db2.gz VUIGTHLCOAMFET-HUUCEWRRSA-N 0 1 263.381 3.172 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CC[C@@H](OC)C1 ZINC000851793048 637505750 /nfs/dbraw/zinc/50/57/50/637505750.db2.gz VUIGTHLCOAMFET-HUUCEWRRSA-N 0 1 263.381 3.172 20 10 CGCDMN CCCN(Cc1nc(C)oc1C)Cc1ccccc1O ZINC000851791931 637505770 /nfs/dbraw/zinc/50/57/70/637505770.db2.gz JGGCELJMDHSHOU-UHFFFAOYSA-N 0 1 274.364 3.409 20 10 CGCDMN Cc1ccc([C@H](C)NCc2cc(C3CC3)no2)c(O)c1 ZINC000886684162 637650987 /nfs/dbraw/zinc/65/09/87/637650987.db2.gz GJEYKSOCTSVATK-NSHDSACASA-N 0 1 272.348 3.417 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(Cl)ccc1[O-] ZINC000926935841 638827266 /nfs/dbraw/zinc/82/72/66/638827266.db2.gz HOOYAYPAVCFXPU-FMSGJZPZSA-N 0 1 293.794 3.287 20 10 CGCDMN CC[C@@H](NCc1csc(C)n1)c1ccccc1O ZINC000041010388 639898116 /nfs/dbraw/zinc/89/81/16/639898116.db2.gz DRULYILHJDGAFA-CYBMUJFWSA-N 0 1 262.378 3.398 20 10 CGCDMN COc1cnccc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000189554675 640199215 /nfs/dbraw/zinc/19/92/15/640199215.db2.gz UDBNDDAEZZYVMN-CYBMUJFWSA-N 0 1 285.391 3.007 20 10 CGCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C1CCC1 ZINC000093475649 640772682 /nfs/dbraw/zinc/77/26/82/640772682.db2.gz PEMYCJXCRCEOGH-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C1CCC1 ZINC000093475649 640772685 /nfs/dbraw/zinc/77/26/85/640772685.db2.gz PEMYCJXCRCEOGH-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C)CC2)c1[O-] ZINC000037322532 798866252 /nfs/dbraw/zinc/86/62/52/798866252.db2.gz FMMDUTOLHPJUPL-UHFFFAOYSA-N 0 1 281.783 3.480 20 10 CGCDMN CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037322989 798866738 /nfs/dbraw/zinc/86/67/38/798866738.db2.gz MNYOOGHXWWNREK-CQSZACIVSA-N 0 1 279.355 3.498 20 10 CGCDMN CC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037322989 798866741 /nfs/dbraw/zinc/86/67/41/798866741.db2.gz MNYOOGHXWWNREK-CQSZACIVSA-N 0 1 279.355 3.498 20 10 CGCDMN C[C@H]([NH2+]C[C@H](O)C1CCC1)c1ccc2ccccc2c1[O-] ZINC000316723681 799241803 /nfs/dbraw/zinc/24/18/03/799241803.db2.gz IHIIRDCSGQPLMW-SJCJKPOMSA-N 0 1 285.387 3.357 20 10 CGCDMN C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccc2ccccc2c1[O-] ZINC000316723680 799242448 /nfs/dbraw/zinc/24/24/48/799242448.db2.gz IHIIRDCSGQPLMW-PXAZEXFGSA-N 0 1 285.387 3.357 20 10 CGCDMN CC(C)OCCC[N@H+](C)Cc1c([O-])cccc1Cl ZINC000382807218 799396741 /nfs/dbraw/zinc/39/67/41/799396741.db2.gz NMJRNCHMZQTFIT-UHFFFAOYSA-N 0 1 271.788 3.293 20 10 CGCDMN CC(C)OCCC[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000382807218 799396746 /nfs/dbraw/zinc/39/67/46/799396746.db2.gz NMJRNCHMZQTFIT-UHFFFAOYSA-N 0 1 271.788 3.293 20 10 CGCDMN CCN(CC)c1ccc(CNCc2oc(C)nc2C)cc1 ZINC000386669698 799439257 /nfs/dbraw/zinc/43/92/57/799439257.db2.gz HLESBEMRIWWZRH-UHFFFAOYSA-N 0 1 287.407 3.427 20 10 CGCDMN Cc1ccc(CC[NH2+]Cc2cc(Cl)ccc2[O-])nc1 ZINC000689470776 799764382 /nfs/dbraw/zinc/76/43/82/799764382.db2.gz ISXZDDRNBPFQSE-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN CO[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000692058703 799791436 /nfs/dbraw/zinc/79/14/36/799791436.db2.gz BRTRLWAJUWCKEU-NSHDSACASA-N 0 1 269.772 3.047 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000692058703 799791438 /nfs/dbraw/zinc/79/14/38/799791438.db2.gz BRTRLWAJUWCKEU-NSHDSACASA-N 0 1 269.772 3.047 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000694870386 799823732 /nfs/dbraw/zinc/82/37/32/799823732.db2.gz JDVVMYCSCDMQRT-MNOVXSKESA-N 0 1 269.772 3.045 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000694870386 799823738 /nfs/dbraw/zinc/82/37/38/799823738.db2.gz JDVVMYCSCDMQRT-MNOVXSKESA-N 0 1 269.772 3.045 20 10 CGCDMN CC(C)O[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000701719965 799892915 /nfs/dbraw/zinc/89/29/15/799892915.db2.gz KKZBEMLRFAMITQ-NSHDSACASA-N 0 1 269.772 3.045 20 10 CGCDMN CC(C)O[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000701719965 799892921 /nfs/dbraw/zinc/89/29/21/799892921.db2.gz KKZBEMLRFAMITQ-NSHDSACASA-N 0 1 269.772 3.045 20 10 CGCDMN COC1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000703821104 799930230 /nfs/dbraw/zinc/93/02/30/799930230.db2.gz AYBHMJGYFPNPBH-UHFFFAOYSA-N 0 1 269.772 3.093 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+]CCC1CC1 ZINC000706829902 799968037 /nfs/dbraw/zinc/96/80/37/799968037.db2.gz GQFHFRKACBMFNN-UHFFFAOYSA-N 0 1 270.170 3.044 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000707138886 799973849 /nfs/dbraw/zinc/97/38/49/799973849.db2.gz IOGUODLZSGAAQC-GHMZBOCLSA-N 0 1 296.208 3.387 20 10 CGCDMN CC(C)(C)[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC000709000230 800001136 /nfs/dbraw/zinc/00/11/36/800001136.db2.gz LVCRJGBWXBDFDN-CYBMUJFWSA-N 0 1 283.799 3.293 20 10 CGCDMN CC(F)(F)CNCc1cc(Br)cc(F)c1O ZINC000715819267 800147625 /nfs/dbraw/zinc/14/76/25/800147625.db2.gz VJCDBHLAMRXPMJ-UHFFFAOYSA-N 0 1 298.102 3.039 20 10 CGCDMN C[C@H](NCc1nc2c(s1)CCC2)c1cc(F)ccc1O ZINC000719582689 800244451 /nfs/dbraw/zinc/24/44/51/800244451.db2.gz LUKFEZXEFSHATA-VIFPVBQESA-N 0 1 292.379 3.327 20 10 CGCDMN CN(Cc1ccns1)Cc1cc2c(cc1O)CCCC2 ZINC001119333931 802650027 /nfs/dbraw/zinc/65/00/27/802650027.db2.gz FDOQUPDZWUBSCE-UHFFFAOYSA-N 0 1 288.416 3.360 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2c([O-])cccc2F)CCC1(F)F ZINC001137832019 803777217 /nfs/dbraw/zinc/77/72/17/803777217.db2.gz XCPXPUWKKWAZPN-JTQLQIEISA-N 0 1 273.298 3.399 20 10 CGCDMN Cc1c(CN2CCC(=O)C(C)(C)C2)c2ccccc2n1C ZINC001138258325 803885512 /nfs/dbraw/zinc/88/55/12/803885512.db2.gz QBPDJFCRFHPGSL-UHFFFAOYSA-N 0 1 284.403 3.288 20 10 CGCDMN CC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)CCCN2C ZINC001138355786 803900173 /nfs/dbraw/zinc/90/01/73/803900173.db2.gz CTZYVZDRSPDTHS-KRWDZBQOSA-N 0 1 286.419 3.013 20 10 CGCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)[C@](C)(CO)C1 ZINC001140337839 804417761 /nfs/dbraw/zinc/41/77/61/804417761.db2.gz IWFAZAVBOPPWFY-HNNXBMFYSA-N 0 1 283.799 3.029 20 10 CGCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)[C@](C)(CO)C1 ZINC001140337839 804417765 /nfs/dbraw/zinc/41/77/65/804417765.db2.gz IWFAZAVBOPPWFY-HNNXBMFYSA-N 0 1 283.799 3.029 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001140341714 804420657 /nfs/dbraw/zinc/42/06/57/804420657.db2.gz DLJHYGYJJAEKBV-CYBMUJFWSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001140341714 804420660 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CGCDMN CCN(CC)c1ccc(CN2CCCC(=O)CC2)cc1 ZINC001203939591 812497309 /nfs/dbraw/zinc/49/73/09/812497309.db2.gz DFSMUZGETVHISO-UHFFFAOYSA-N 0 1 274.408 3.088 20 10 CGCDMN CC[N@@H+](Cc1ccc2c(c1)CCO2)Cc1ccccc1O ZINC001204490739 812655976 /nfs/dbraw/zinc/65/59/76/812655976.db2.gz ASIXWGDTCYBIPV-UHFFFAOYSA-N 0 1 283.371 3.349 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@@H]2Cc2ccccc2)ccc(F)c1F ZINC001204579122 812680695 /nfs/dbraw/zinc/68/06/95/812680695.db2.gz GGUFDLDSULXSOS-CQSZACIVSA-N 0 1 289.325 3.487 20 10 CGCDMN C[C@]1([NH3+])CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001204946439 812793288 /nfs/dbraw/zinc/79/32/88/812793288.db2.gz OAOOIOGNXWIZIW-ZDUSSCGKSA-N 0 1 289.206 3.012 20 10 CGCDMN CCC(CC)[N@@H+](CC)Cc1ccc(C(=O)[O-])cc1O ZINC001231454712 818103059 /nfs/dbraw/zinc/10/30/59/818103059.db2.gz IPETTWYRNDYNKT-UHFFFAOYSA-N 0 1 265.353 3.101 20 10 CGCDMN CCC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231563735 818124476 /nfs/dbraw/zinc/12/44/76/818124476.db2.gz KVKNKEFDVRTMTJ-AWEZNQCLSA-N 0 1 277.364 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FFNASYADTFRSTO-CYBMUJFWSA-N 0 1 283.799 3.435 20 10 CGCDMN C[N@@H+](Cc1cncs1)Cc1cccc(Cl)c1[O-] ZINC001231912899 818211356 /nfs/dbraw/zinc/21/13/56/818211356.db2.gz DKINLCUSIJKVJQ-UHFFFAOYSA-N 0 1 268.769 3.134 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)c(OC)cc1O)C(C)C ZINC001232263861 818297117 /nfs/dbraw/zinc/29/71/17/818297117.db2.gz DYCSVUPASQYNBS-UHFFFAOYSA-N 0 1 257.761 3.285 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)c(OC)cc1[O-])C(C)C ZINC001232263861 818297123 /nfs/dbraw/zinc/29/71/23/818297123.db2.gz DYCSVUPASQYNBS-UHFFFAOYSA-N 0 1 257.761 3.285 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)c(OC)cc1[O-])C(C)C ZINC001232263861 818297128 /nfs/dbraw/zinc/29/71/28/818297128.db2.gz DYCSVUPASQYNBS-UHFFFAOYSA-N 0 1 257.761 3.285 20 10 CGCDMN CCC[N@@H+](CC)Cc1cc(Cl)c(OC)cc1O ZINC001232263683 818297973 /nfs/dbraw/zinc/29/79/73/818297973.db2.gz DBGFURICPWDBQS-UHFFFAOYSA-N 0 1 257.761 3.286 20 10 CGCDMN CCC[N@H+](CC)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232263683 818297976 /nfs/dbraw/zinc/29/79/76/818297976.db2.gz 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CC[C@]1(CO)CCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001462130548 937620209 /nfs/dbraw/zinc/62/02/09/937620209.db2.gz WLIOFAMDDJVHNZ-HNNXBMFYSA-N 0 1 283.799 3.030 20 10 CGCDMN Cc1ccc(CNCc2noc3cc(F)ccc32)c(O)c1 ZINC001462526620 937648124 /nfs/dbraw/zinc/64/81/24/937648124.db2.gz ADTZZCPOKUOMDC-UHFFFAOYSA-N 0 1 286.306 3.271 20 10 CGCDMN Cc1cccnc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC001308155507 933059492 /nfs/dbraw/zinc/05/94/92/933059492.db2.gz ZLIOTZPPMHSRED-CQSZACIVSA-N 0 1 269.392 3.307 20 10 CGCDMN COc1cc(C)c(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c(O)c1 ZINC001308771838 933173791 /nfs/dbraw/zinc/17/37/91/933173791.db2.gz NGFVTJHSJWXCMX-SJLPKXTDSA-N 0 1 287.403 3.330 20 10 CGCDMN Oc1ccc(F)cc1CNCc1cc(F)cnc1Cl ZINC001308782103 933174864 /nfs/dbraw/zinc/17/48/64/933174864.db2.gz KOKUTDCTDGFDGY-UHFFFAOYSA-N 0 1 284.693 3.009 20 10 CGCDMN CCOC(=O)CC[N@@H+](Cc1ccc(Cl)cc1O)C(C)C ZINC001308839498 933188212 /nfs/dbraw/zinc/18/82/12/933188212.db2.gz DXVXIKUDACKCOB-UHFFFAOYSA-N 0 1 299.798 3.209 20 10 CGCDMN CCOC(=O)CC[N@H+](Cc1ccc(Cl)cc1[O-])C(C)C ZINC001308839498 933188214 /nfs/dbraw/zinc/18/82/14/933188214.db2.gz DXVXIKUDACKCOB-UHFFFAOYSA-N 0 1 299.798 3.209 20 10 CGCDMN CCOC(=O)CC[N@@H+](Cc1ccc(Cl)cc1[O-])C(C)C ZINC001308839498 933188217 /nfs/dbraw/zinc/18/82/17/933188217.db2.gz DXVXIKUDACKCOB-UHFFFAOYSA-N 0 1 299.798 3.209 20 10 CGCDMN CC[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)CO1 ZINC001308848296 933188942 /nfs/dbraw/zinc/18/89/42/933188942.db2.gz KZELVXRUAPKCRN-XDWWLABZSA-N 0 1 288.435 3.265 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001308961665 933215081 /nfs/dbraw/zinc/21/50/81/933215081.db2.gz ZVPGSXJYHGYCHY-ZFWWWQNUSA-N 0 1 281.783 3.093 20 10 CGCDMN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1C[C@H](C)n2ncnc21 ZINC001333321375 935526069 /nfs/dbraw/zinc/52/60/69/935526069.db2.gz JAMWSPUPUOORIV-MROQNXINSA-N 0 1 298.390 3.136 20 10 CGCDMN CCc1onc(C)c1CNCc1ccc(N(C)C)cc1C ZINC001334170831 936088750 /nfs/dbraw/zinc/08/87/50/936088750.db2.gz JBWBUFBWHMRMRU-UHFFFAOYSA-N 0 1 287.407 3.210 20 10 CGCDMN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1csc(N)n1 ZINC001335252461 936135916 /nfs/dbraw/zinc/13/59/16/936135916.db2.gz ILGPPMITIVGBJR-KOLCDFICSA-N 0 1 289.404 3.077 20 10 CGCDMN CC(C)(O)C1CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001474670041 937873917 /nfs/dbraw/zinc/87/39/17/937873917.db2.gz WEIQMLGZNCFWEB-UHFFFAOYSA-N 0 1 283.799 3.029 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC001560701329 938271203 /nfs/dbraw/zinc/27/12/03/938271203.db2.gz JWJOQMTWQMOEOG-AWEZNQCLSA-N 0 1 278.302 3.336 20 10 CGCDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001573698762 962278632 /nfs/dbraw/zinc/27/86/32/962278632.db2.gz QAVZCDJTFNWAPJ-DOMZBBRYSA-N 0 1 299.370 3.088 20 10 CGCDMN Nc1cccc2c1C[N@@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC001580459711 962723890 /nfs/dbraw/zinc/72/38/90/962723890.db2.gz OBTZDDVOUJPQSM-UHFFFAOYSA-N 0 1 288.778 3.186 20 10 CGCDMN CN(C)c1ccccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000265891964 346407726 /nfs/dbraw/zinc/40/77/26/346407726.db2.gz ZEBZBIVIDPHSFV-UHFFFAOYSA-N 0 1 290.794 3.401 20 10 CGCDMN COc1ccc(CNCc2ccccc2F)cc1C ZINC000035052614 368993995 /nfs/dbraw/zinc/99/39/95/368993995.db2.gz SPAFQXABXMQIPN-UHFFFAOYSA-N 0 1 259.324 3.433 20 10 CGCDMN Cc1ccc(O)c(CN2CCO[C@@H](c3cccs3)C2)c1 ZINC000092594646 370097729 /nfs/dbraw/zinc/09/77/29/370097729.db2.gz FOQAJIZLBLLUCH-OAHLLOKOSA-N 0 1 289.400 3.336 20 10 CGCDMN CC(C)[C@@]1(CO)CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000294136380 372591586 /nfs/dbraw/zinc/59/15/86/372591586.db2.gz USYPTYWDMAXUMY-INIZCTEOSA-N 0 1 297.826 3.276 20 10 CGCDMN CC(C)[C@@]1(CO)CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000294136380 372591593 /nfs/dbraw/zinc/59/15/93/372591593.db2.gz USYPTYWDMAXUMY-INIZCTEOSA-N 0 1 297.826 3.276 20 10 CGCDMN CC(C)[C@@]1(CO)CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000294136380 372591598 /nfs/dbraw/zinc/59/15/98/372591598.db2.gz USYPTYWDMAXUMY-INIZCTEOSA-N 0 1 297.826 3.276 20 10 CGCDMN CC[C@@H](NCc1cnccc1OC)c1ccc(N(C)C)cc1 ZINC000293979875 372544691 /nfs/dbraw/zinc/54/46/91/372544691.db2.gz BHHMUCXMQJBQSL-QGZVFWFLSA-N 0 1 299.418 3.397 20 10 CGCDMN CN(Cc1cn(C)nc1C(C)(C)C)Cc1ccccc1O ZINC000179770648 373914725 /nfs/dbraw/zinc/91/47/25/373914725.db2.gz YLGJVSSQFPPFCK-UHFFFAOYSA-N 0 1 287.407 3.055 20 10 CGCDMN COCCC(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000183943218 374475601 /nfs/dbraw/zinc/47/56/01/374475601.db2.gz UGLGLJFIIJWFHJ-NSHDSACASA-N 0 1 269.360 3.245 20 10 CGCDMN CC1(C)C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000228085017 376426150 /nfs/dbraw/zinc/42/61/50/376426150.db2.gz KAWOOZOSDMFFNY-SNVBAGLBSA-N 0 1 269.772 3.093 20 10 CGCDMN CO[C@@]1(C)CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000230300126 376500204 /nfs/dbraw/zinc/50/02/04/376500204.db2.gz VBGISYXYEREQNU-AWEZNQCLSA-N 0 1 269.772 3.047 20 10 CGCDMN CO[C@@]1(C)CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000230300126 376500209 /nfs/dbraw/zinc/50/02/09/376500209.db2.gz VBGISYXYEREQNU-AWEZNQCLSA-N 0 1 269.772 3.047 20 10 CGCDMN CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273596466 378755761 /nfs/dbraw/zinc/75/57/61/378755761.db2.gz QVNKDWYDAFBCEW-ZWNOBZJWSA-N 0 1 271.788 3.103 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000274035270 378767375 /nfs/dbraw/zinc/76/73/75/378767375.db2.gz BWYHDICNUNRJPR-XHDPSFHLSA-N 0 1 281.783 3.093 20 10 CGCDMN Cc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c(O)c1 ZINC000373519863 379293564 /nfs/dbraw/zinc/29/35/64/379293564.db2.gz GWHUAKMWJFDZHL-FHERZECASA-N 0 1 288.435 3.368 20 10 CGCDMN CCC[C@H](CCO)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185605369 262061741 /nfs/dbraw/zinc/06/17/41/262061741.db2.gz LSZWNNAUARPJBX-VXGBXAGGSA-N 0 1 285.815 3.495 20 10 CGCDMN CC[C@@H]([NH2+][C@H](C)CCN(C)C)c1cccc(Cl)c1[O-] ZINC000287617019 392403397 /nfs/dbraw/zinc/40/33/97/392403397.db2.gz JQOCWWBOVUARAG-BXUZGUMPSA-N 0 1 284.831 3.427 20 10 CGCDMN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1cnccn1 ZINC000358997422 393533416 /nfs/dbraw/zinc/53/34/16/393533416.db2.gz WWGHBROYIKEUCP-ZDUSSCGKSA-N 0 1 280.375 3.128 20 10 CGCDMN C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc2ccccc2c1[O-] ZINC000128093835 260371798 /nfs/dbraw/zinc/37/17/98/260371798.db2.gz YFNIJCNUTGHFQK-UVBJJODRSA-N 0 1 285.387 3.355 20 10 CGCDMN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185154774 262043796 /nfs/dbraw/zinc/04/37/96/262043796.db2.gz YXSHQQKGQKCVLF-MNOVXSKESA-N 0 1 298.814 3.001 20 10 CGCDMN CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185438411 262053953 /nfs/dbraw/zinc/05/39/53/262053953.db2.gz SMLIOXVBRINAKD-PKFCDNJMSA-N 0 1 271.788 3.103 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000186558635 262098828 /nfs/dbraw/zinc/09/88/28/262098828.db2.gz CRPWLENWWKRMGF-MFKMUULPSA-N 0 1 295.766 3.413 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(F)c(F)c1[O-] ZINC000276939653 328220534 /nfs/dbraw/zinc/22/05/34/328220534.db2.gz PITJATPSTCYGOB-PELKAZGASA-N 0 1 293.317 3.122 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000377827032 329030659 /nfs/dbraw/zinc/03/06/59/329030659.db2.gz SDCILQVHARRUAJ-KBPBESRZSA-N 0 1 293.382 3.170 20 10 CGCDMN CO[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000378633453 329057282 /nfs/dbraw/zinc/05/72/82/329057282.db2.gz OJIUHHCPXZHOGV-GFCCVEGCSA-N 0 1 269.772 3.047 20 10 CGCDMN CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000527980501 330298148 /nfs/dbraw/zinc/29/81/48/330298148.db2.gz QCFKPFITLKJDES-FZQKWOKYSA-N 0 1 269.772 3.264 20 10 CGCDMN Cc1c2ccccc2n(C)c1CN[C@H](C)c1ccncn1 ZINC000453216124 331102549 /nfs/dbraw/zinc/10/25/49/331102549.db2.gz LHFUZKGLXPRZPR-CYBMUJFWSA-N 0 1 280.375 3.128 20 10 CGCDMN C[C@H]([NH2+]CC1CC1)c1cc(Br)ccc1[O-] ZINC000134911905 334108170 /nfs/dbraw/zinc/10/81/70/334108170.db2.gz HPLKOFCURSVYSF-QMMMGPOBSA-N 0 1 270.170 3.215 20 10 CGCDMN CCN(CC)[C@@H](C(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000237041367 520820364 /nfs/dbraw/zinc/82/03/64/520820364.db2.gz MXHPIXNSQBBILY-QGZVFWFLSA-N 0 1 297.402 3.290 20 10 CGCDMN COCC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000293301482 522813176 /nfs/dbraw/zinc/81/31/76/522813176.db2.gz DTYHMBFRMXZUCM-JTQLQIEISA-N 0 1 271.788 3.369 20 10 CGCDMN CC[C@@H](NCc1cc(C)no1)c1ccc(N(C)C)cc1 ZINC000125591658 522868331 /nfs/dbraw/zinc/86/83/31/522868331.db2.gz VJYSVRZJDPICTA-MRXNPFEDSA-N 0 1 273.380 3.290 20 10 CGCDMN CC[C@@H](NCc1nccs1)c1ccc(C)cc1O ZINC000279996202 522895306 /nfs/dbraw/zinc/89/53/06/522895306.db2.gz FQLYFSXLIANRPZ-GFCCVEGCSA-N 0 1 262.378 3.398 20 10 CGCDMN COCc1nc(CN[C@H](C)c2ccc(C)cc2O)cs1 ZINC000289717061 523204824 /nfs/dbraw/zinc/20/48/24/523204824.db2.gz JKSOUDJCPSDDNC-LLVKDONJSA-N 0 1 292.404 3.154 20 10 CGCDMN Cc1ccc(CNCc2ccc(N(C)C)c(F)c2)o1 ZINC000058474852 524582101 /nfs/dbraw/zinc/58/21/01/524582101.db2.gz QYMVBOHPUNEVFW-UHFFFAOYSA-N 0 1 262.328 3.083 20 10 CGCDMN Cc1ccc(F)c(CNCc2ccc(N(C)C)cc2)c1 ZINC000116912506 524808825 /nfs/dbraw/zinc/80/88/25/524808825.db2.gz ZOCQTJPGSVUTIO-UHFFFAOYSA-N 0 1 272.367 3.490 20 10 CGCDMN C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000280586218 525821580 /nfs/dbraw/zinc/82/15/80/525821580.db2.gz XDYBHXUWEOSTEK-YPMHNXCESA-N 0 1 283.799 3.171 20 10 CGCDMN Cc1cn[nH]c1CN(C)c1ccc(OC(C)C)cc1 ZINC000291608836 526022915 /nfs/dbraw/zinc/02/29/15/526022915.db2.gz QVJRPEXDQFVKDE-UHFFFAOYSA-N 0 1 259.353 3.142 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000129995433 526363327 /nfs/dbraw/zinc/36/33/27/526363327.db2.gz XIWOMEQVUPQNPQ-NSHDSACASA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000129995433 526363332 /nfs/dbraw/zinc/36/33/32/526363332.db2.gz XIWOMEQVUPQNPQ-NSHDSACASA-N 0 1 281.783 3.047 20 10 CGCDMN CO[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000746754084 572894892 /nfs/dbraw/zinc/89/48/92/572894892.db2.gz KETCFHGQHPFIMY-OLZOCXBDSA-N 0 1 269.772 3.093 20 10 CGCDMN CO[C@]1(C)C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1(C)C ZINC000744448314 572753559 /nfs/dbraw/zinc/75/35/59/572753559.db2.gz IBYQQUHVMDVKPH-DZGCQCFKSA-N 0 1 283.799 3.339 20 10 CGCDMN COC[C@H](NCc1cc(Cl)ccc1O)c1ccco1 ZINC000177574396 617933279 /nfs/dbraw/zinc/93/32/79/617933279.db2.gz BAIDPPUMYNXRSD-LBPRGKRZSA-N 0 1 281.739 3.116 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c1[O-] ZINC000088706191 618128976 /nfs/dbraw/zinc/12/89/76/618128976.db2.gz YLYXDCHCYZEDEI-MNOVXSKESA-N 0 1 279.355 3.354 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)CC[C@@H]2C)c1[O-] ZINC000088706191 618128978 /nfs/dbraw/zinc/12/89/78/618128978.db2.gz YLYXDCHCYZEDEI-MNOVXSKESA-N 0 1 279.355 3.354 20 10 CGCDMN Cc1ncc(CN(C)Cc2cc(Cl)ccc2O)s1 ZINC000179382138 618780605 /nfs/dbraw/zinc/78/06/05/618780605.db2.gz BFGVAYTVJVPFLO-UHFFFAOYSA-N 0 1 282.796 3.443 20 10 CGCDMN COC1(CC[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000310782854 619093388 /nfs/dbraw/zinc/09/33/88/619093388.db2.gz FUYDDPCKLQVINB-UHFFFAOYSA-N 0 1 269.772 3.094 20 10 CGCDMN Cc1ncc(CC[NH2+]Cc2c([O-])cc(C)cc2Cl)s1 ZINC000840908739 619116113 /nfs/dbraw/zinc/11/61/13/619116113.db2.gz ZUKRJHZLJZCINR-UHFFFAOYSA-N 0 1 296.823 3.451 20 10 CGCDMN CCOC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000313480869 619175694 /nfs/dbraw/zinc/17/56/94/619175694.db2.gz GNFXQXBGFLPLQX-ZDUSSCGKSA-N 0 1 283.799 3.437 20 10 CGCDMN CCCO[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894017320 619351156 /nfs/dbraw/zinc/35/11/56/619351156.db2.gz LRSZSHIKASPGRE-CQSZACIVSA-N 0 1 299.361 3.452 20 10 CGCDMN COc1cc(C)cc(CN[C@@H](C)c2ncc(C)s2)c1O ZINC000894323825 619491615 /nfs/dbraw/zinc/49/16/15/619491615.db2.gz PHILBTKRYKBQQS-NSHDSACASA-N 0 1 292.404 3.325 20 10 CGCDMN COc1cccc(CNCc2cc(C)cnc2Cl)c1O ZINC000894458412 619543476 /nfs/dbraw/zinc/54/34/76/619543476.db2.gz QQRBKYOLWDKFGZ-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN COc1ccc(CNCc2ccc(C#N)cc2F)cc1C ZINC000237219844 619730193 /nfs/dbraw/zinc/73/01/93/619730193.db2.gz MTXJATLXVSTCGM-UHFFFAOYSA-N 0 1 284.334 3.304 20 10 CGCDMN C[N@@H+](Cc1ccns1)Cc1cccc(Cl)c1[O-] ZINC000895453543 619830422 /nfs/dbraw/zinc/83/04/22/619830422.db2.gz MGOBEVQJWXHFPT-UHFFFAOYSA-N 0 1 268.769 3.134 20 10 CGCDMN CN(Cc1ccns1)Cc1c(O)ccc(Cl)c1F ZINC000895452398 619832215 /nfs/dbraw/zinc/83/22/15/619832215.db2.gz LIGHJGJUCUCIGN-UHFFFAOYSA-N 0 1 286.759 3.273 20 10 CGCDMN Cc1cnc(CN[C@@H](C)c2cc(F)ccc2O)s1 ZINC000185569459 625385644 /nfs/dbraw/zinc/38/56/44/625385644.db2.gz TTWQOUORUNJGSI-VIFPVBQESA-N 0 1 266.341 3.147 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000797904954 620238324 /nfs/dbraw/zinc/23/83/24/620238324.db2.gz SMLTVKXWVVJFMT-QWHCGFSZSA-N 0 1 251.757 3.324 20 10 CGCDMN Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841746196 620352263 /nfs/dbraw/zinc/35/22/63/620352263.db2.gz CXEHJCGYPKGZSG-VHSXEESVSA-N 0 1 293.798 3.499 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(Cl)cc1[O-] ZINC000841751687 620375251 /nfs/dbraw/zinc/37/52/51/620375251.db2.gz IQDVRAMIAPYVOP-MFKMUULPSA-N 0 1 295.766 3.413 20 10 CGCDMN CC[C@H](N[C@@H](c1ncccn1)C1CC1)c1ccccc1O ZINC000903326652 621700634 /nfs/dbraw/zinc/70/06/34/621700634.db2.gz MDZJBHOVWPKJCZ-GOEBONIOSA-N 0 1 283.375 3.374 20 10 CGCDMN CC[C@H]([NH2+]Cc1cn(C)cn1)c1cc(Cl)ccc1[O-] ZINC000903353218 621710801 /nfs/dbraw/zinc/71/08/01/621710801.db2.gz ZSQFVAZLJPXCSA-ZDUSSCGKSA-N 0 1 279.771 3.020 20 10 CGCDMN CC[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903406195 621730226 /nfs/dbraw/zinc/73/02/26/621730226.db2.gz HIFBYHMPDRUOOI-KGLIPLIRSA-N 0 1 283.799 3.247 20 10 CGCDMN COc1cc(C)ccc1CNCc1ccc2c(c1)CCO2 ZINC000151033758 622723638 /nfs/dbraw/zinc/72/36/38/622723638.db2.gz XGRCRVXPSDQRBN-UHFFFAOYSA-N 0 1 283.371 3.228 20 10 CGCDMN COc1cccc2c1CCN(Cc1cc(F)ccc1O)C2 ZINC000180784201 624772272 /nfs/dbraw/zinc/77/22/72/624772272.db2.gz UXHVDTFEMNREIT-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN CC[C@@H]([NH2+]CC1(C)OCCCO1)c1cc(Cl)ccc1[O-] ZINC000754120670 626558637 /nfs/dbraw/zinc/55/86/37/626558637.db2.gz BFKJDMPLYQCZPC-CYBMUJFWSA-N 0 1 299.798 3.239 20 10 CGCDMN CN(C)c1ccccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000754349857 626568753 /nfs/dbraw/zinc/56/87/53/626568753.db2.gz PFKXNDRDHBJWLT-UHFFFAOYSA-N 0 1 290.794 3.401 20 10 CGCDMN C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000756417107 626703952 /nfs/dbraw/zinc/70/39/52/626703952.db2.gz PKFDJNFKTNLUFP-CHWSQXEVSA-N 0 1 296.842 3.428 20 10 CGCDMN C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756496884 626709955 /nfs/dbraw/zinc/70/99/55/626709955.db2.gz YJBKJRNSRCRCFE-GHMZBOCLSA-N 0 1 291.782 3.117 20 10 CGCDMN C[C@@H]([NH2+]CCOc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000756570199 626716503 /nfs/dbraw/zinc/71/65/03/626716503.db2.gz BJSXRXSWHQNHKP-LLVKDONJSA-N 0 1 292.766 3.170 20 10 CGCDMN Cc1ccc(O)c([C@H](C)NCc2ccn(C(C)C)n2)c1 ZINC000756591294 626718469 /nfs/dbraw/zinc/71/84/69/626718469.db2.gz FHCNKKKMZSXPCO-ZDUSSCGKSA-N 0 1 273.380 3.329 20 10 CGCDMN C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000756618152 626721357 /nfs/dbraw/zinc/72/13/57/626721357.db2.gz RIJJWHZHAJIMSC-RYUDHWBXSA-N 0 1 282.815 3.181 20 10 CGCDMN CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756628737 626722295 /nfs/dbraw/zinc/72/22/95/626722295.db2.gz XEHPYDTURSDYPY-NQBHXWOUSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc2ccccc2c1[O-] ZINC000756770631 626730413 /nfs/dbraw/zinc/73/04/13/626730413.db2.gz YSVZKQCODLHEMR-SWLSCSKDSA-N 0 1 285.387 3.357 20 10 CGCDMN CCC(CC)(CO)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756770895 626730543 /nfs/dbraw/zinc/73/05/43/626730543.db2.gz PIMHXMPMHLXTDY-AAEUAGOBSA-N 0 1 295.398 3.468 20 10 CGCDMN COc1cc(Cl)cc(C[N@@H+](C)Cc2ccc[nH]2)c1O ZINC000761203749 627024917 /nfs/dbraw/zinc/02/49/17/627024917.db2.gz MEJNDTQGXJGXSG-UHFFFAOYSA-N 0 1 280.755 3.014 20 10 CGCDMN COc1cc(Cl)cc(CN(C)Cc2ccc[nH]2)c1O ZINC000761203749 627024919 /nfs/dbraw/zinc/02/49/19/627024919.db2.gz MEJNDTQGXJGXSG-UHFFFAOYSA-N 0 1 280.755 3.014 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000763332560 627151897 /nfs/dbraw/zinc/15/18/97/627151897.db2.gz MLMXISHHQADGSH-CQSZACIVSA-N 0 1 268.360 3.172 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000763332560 627151900 /nfs/dbraw/zinc/15/19/00/627151900.db2.gz MLMXISHHQADGSH-CQSZACIVSA-N 0 1 268.360 3.172 20 10 CGCDMN CCOc1ccc(C[N@@H+](C)Cc2cccs2)c(O)c1 ZINC000768160776 627464588 /nfs/dbraw/zinc/46/45/88/627464588.db2.gz PHKNEDKXCNYBDR-UHFFFAOYSA-N 0 1 277.389 3.484 20 10 CGCDMN CC[C@@]1(C)CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769446305 627552574 /nfs/dbraw/zinc/55/25/74/627552574.db2.gz LOHWFIOJMFTJIS-INIZCTEOSA-N 0 1 263.381 3.413 20 10 CGCDMN CC[C@@]1(C)CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769446305 627552576 /nfs/dbraw/zinc/55/25/76/627552576.db2.gz LOHWFIOJMFTJIS-INIZCTEOSA-N 0 1 263.381 3.413 20 10 CGCDMN C[C@@H](N[C@@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000769991618 627596278 /nfs/dbraw/zinc/59/62/78/627596278.db2.gz YZRQVSCTOFIPHJ-WBMJQRKESA-N 0 1 290.432 3.198 20 10 CGCDMN CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(Cl)ccc1[O-] ZINC000775492196 628100586 /nfs/dbraw/zinc/10/05/86/628100586.db2.gz NHVMMIUKKUCYDK-DOMZBBRYSA-N 0 1 296.842 3.428 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775493946 628100986 /nfs/dbraw/zinc/10/09/86/628100986.db2.gz WUKMGSLSOJHYII-LSDHHAIUSA-N 0 1 296.842 3.427 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775503594 628101936 /nfs/dbraw/zinc/10/19/36/628101936.db2.gz KEYZJDCZOZXPRB-UKRRQHHQSA-N 0 1 283.799 3.247 20 10 CGCDMN C[N@@H+](CCC1CC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775740405 628132074 /nfs/dbraw/zinc/13/20/74/628132074.db2.gz WBEHYNMQAYNEAN-UHFFFAOYSA-N 0 1 257.736 3.417 20 10 CGCDMN CC(C)[C@@H]1CC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000775764918 628134594 /nfs/dbraw/zinc/13/45/94/628134594.db2.gz LPRUZLWIPNWRRN-LBPRGKRZSA-N 0 1 284.197 3.385 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000776251710 628184655 /nfs/dbraw/zinc/18/46/55/628184655.db2.gz UUUCWKXDJLQCJT-LBPRGKRZSA-N 0 1 295.745 3.075 20 10 CGCDMN CC[C@@H](NCc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC000777501355 628275941 /nfs/dbraw/zinc/27/59/41/628275941.db2.gz RQCRZBXUUMHMAJ-GFCCVEGCSA-N 0 1 299.798 3.256 20 10 CGCDMN CC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cc(Cl)ccc1[O-] ZINC000779063578 628386211 /nfs/dbraw/zinc/38/62/11/628386211.db2.gz HBYYUXJYUIAHFQ-FPMFFAJLSA-N 0 1 283.799 3.246 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000779188661 628393181 /nfs/dbraw/zinc/39/31/81/628393181.db2.gz WPHMVABUTCMNFH-HNNXBMFYSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000779188661 628393183 /nfs/dbraw/zinc/39/31/83/628393183.db2.gz WPHMVABUTCMNFH-HNNXBMFYSA-N 0 1 295.810 3.437 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)C2CCC2)c1 ZINC000781912511 628604818 /nfs/dbraw/zinc/60/48/18/628604818.db2.gz QHZVDMXAHYWGNI-UHFFFAOYSA-N 0 1 284.197 3.447 20 10 CGCDMN C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1cc(Cl)ccc1[O-] ZINC000783310211 628702534 /nfs/dbraw/zinc/70/25/34/628702534.db2.gz LPRNMBCWXSPVMC-ZYHUDNBSSA-N 0 1 267.756 3.389 20 10 CGCDMN CC[C@@H]([NH2+]CCOCC(F)F)c1cc(Cl)ccc1[O-] ZINC000788260341 629043318 /nfs/dbraw/zinc/04/33/18/629043318.db2.gz ZJSZCETVAXCKAE-LLVKDONJSA-N 0 1 293.741 3.368 20 10 CGCDMN C[C@@H](C1CC1)[N@H+](C)Cc1c([O-])cccc1Br ZINC000862224082 629326277 /nfs/dbraw/zinc/32/62/77/629326277.db2.gz HSEIBMFPMPHHNX-VIFPVBQESA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@@H](C1CC1)[N@@H+](C)Cc1c([O-])cccc1Br ZINC000862224082 629326279 /nfs/dbraw/zinc/32/62/79/629326279.db2.gz HSEIBMFPMPHHNX-VIFPVBQESA-N 0 1 284.197 3.385 20 10 CGCDMN CCC(O)(CC)C[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000862540022 629396032 /nfs/dbraw/zinc/39/60/32/629396032.db2.gz XDSQLLLOGHKSGB-UHFFFAOYSA-N 0 1 289.778 3.168 20 10 CGCDMN C[C@H]1C[C@H](C)N1Cc1cc(Br)ccc1O ZINC000793219948 629430506 /nfs/dbraw/zinc/43/05/06/629430506.db2.gz ILTYPCUGJKZCBW-IUCAKERBSA-N 0 1 270.170 3.137 20 10 CGCDMN COc1ccc(N2CCC(NC(C)(C)C(F)F)CC2)cc1 ZINC000793255810 629437089 /nfs/dbraw/zinc/43/70/89/629437089.db2.gz SDBJWSRGSOJGLP-UHFFFAOYSA-N 0 1 298.377 3.297 20 10 CGCDMN C[C@@H]([NH2+]Cc1cccnc1F)c1cc(Cl)ccc1[O-] ZINC000794835161 629585044 /nfs/dbraw/zinc/58/50/44/629585044.db2.gz KXNIYIKJTVXFLI-SECBINFHSA-N 0 1 280.730 3.431 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798965013 630130540 /nfs/dbraw/zinc/13/05/40/630130540.db2.gz OPGBDCHSRJVZQE-GFCCVEGCSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798965013 630130548 /nfs/dbraw/zinc/13/05/48/630130548.db2.gz OPGBDCHSRJVZQE-GFCCVEGCSA-N 0 1 288.778 3.430 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000806181298 630553741 /nfs/dbraw/zinc/55/37/41/630553741.db2.gz WWOVFMZBENKKCZ-QPUJVOFHSA-N 0 1 286.278 3.139 20 10 CGCDMN C[C@H](N[C@@H](C)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000806660885 630573129 /nfs/dbraw/zinc/57/31/29/630573129.db2.gz QNJZCZQFQOOVNO-WDSKDSINSA-N 0 1 269.213 3.272 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000809729087 630793270 /nfs/dbraw/zinc/79/32/70/630793270.db2.gz QINJPNTZXKFJMY-HNNXBMFYSA-N 0 1 272.323 3.263 20 10 CGCDMN CC1(C)C[N@H+](Cc2cc(Cl)ccc2[O-])[C@H]1[C@H]1CCCO1 ZINC000811510321 631079233 /nfs/dbraw/zinc/07/92/33/631079233.db2.gz CENWMUDWTHOCQU-CABCVRRESA-N 0 1 295.810 3.435 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cc(Cl)ccc2[O-])[C@H]1[C@H]1CCCO1 ZINC000811510321 631079237 /nfs/dbraw/zinc/07/92/37/631079237.db2.gz CENWMUDWTHOCQU-CABCVRRESA-N 0 1 295.810 3.435 20 10 CGCDMN O=C(/C=C/C1CC1)NCc1cc(Cl)cc(Cl)c1O ZINC000813683895 631452819 /nfs/dbraw/zinc/45/28/19/631452819.db2.gz GRWXLSYJUOWFTJ-ONEGZZNKSA-N 0 1 286.158 3.281 20 10 CGCDMN C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CC(C)(C)O1 ZINC000816496372 631993648 /nfs/dbraw/zinc/99/36/48/631993648.db2.gz HIARMXFXDKLPLC-VIFPVBQESA-N 0 1 287.762 3.184 20 10 CGCDMN CC[N@H+](Cc1cnn(C)c1)Cc1ccc2ccccc2c1[O-] ZINC000816495708 631994721 /nfs/dbraw/zinc/99/47/21/631994721.db2.gz GZTXMADNHYRMBA-UHFFFAOYSA-N 0 1 295.386 3.301 20 10 CGCDMN CC[N@@H+](Cc1cnn(C)c1)Cc1ccc2ccccc2c1[O-] ZINC000816495708 631994725 /nfs/dbraw/zinc/99/47/25/631994725.db2.gz GZTXMADNHYRMBA-UHFFFAOYSA-N 0 1 295.386 3.301 20 10 CGCDMN CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816551118 632008256 /nfs/dbraw/zinc/00/82/56/632008256.db2.gz PMFJBMRTPXYXTO-OAHLLOKOSA-N 0 1 287.403 3.432 20 10 CGCDMN Cc1ccc([C@H](O)C[NH2+]Cc2ccc3ccccc3c2[O-])o1 ZINC000816553553 632009669 /nfs/dbraw/zinc/00/96/69/632009669.db2.gz ZGHKXIMHHHXDOX-MRXNPFEDSA-N 0 1 297.354 3.270 20 10 CGCDMN CCC[C@H](CCO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816553850 632010690 /nfs/dbraw/zinc/01/06/90/632010690.db2.gz INIYALJGQFSSIF-CQSZACIVSA-N 0 1 287.403 3.434 20 10 CGCDMN Cn1ccc(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816555668 632012152 /nfs/dbraw/zinc/01/21/52/632012152.db2.gz MLVQNJYQFZOLME-UHFFFAOYSA-N 0 1 266.344 3.174 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCC=C(F)C1 ZINC000816565517 632013292 /nfs/dbraw/zinc/01/32/92/632013292.db2.gz RGHHJXYQULHPAW-UHFFFAOYSA-N 0 1 259.683 3.244 20 10 CGCDMN C[C@@]1(O)CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816594672 632020215 /nfs/dbraw/zinc/02/02/15/632020215.db2.gz LXRSYSQUKOYAGT-GOSISDBHSA-N 0 1 285.387 3.282 20 10 CGCDMN C[C@@]1(O)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816594672 632020228 /nfs/dbraw/zinc/02/02/28/632020228.db2.gz LXRSYSQUKOYAGT-GOSISDBHSA-N 0 1 285.387 3.282 20 10 CGCDMN CCOc1ccc(O)c(CN2C[C@H](CC)O[C@@H](CC)C2)c1 ZINC000817413516 632143778 /nfs/dbraw/zinc/14/37/78/632143778.db2.gz YRDPEGUYBAIFJB-GJZGRUSLSA-N 0 1 293.407 3.180 20 10 CGCDMN CC[C@H]1C[C@@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC000817414760 632145519 /nfs/dbraw/zinc/14/55/19/632145519.db2.gz JQQZHQWCFWGXQN-RYUDHWBXSA-N 0 1 283.799 3.401 20 10 CGCDMN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1O ZINC000817880838 632229511 /nfs/dbraw/zinc/22/95/11/632229511.db2.gz JREJPLNTUVQXTJ-WDEREUQCSA-N 0 1 297.782 3.039 20 10 CGCDMN CCC[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000866414550 633127142 /nfs/dbraw/zinc/12/71/42/633127142.db2.gz IAIVSUUHLAPAGE-ZYHUDNBSSA-N 0 1 271.788 3.247 20 10 CGCDMN CCOC1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824575503 633260484 /nfs/dbraw/zinc/26/04/84/633260484.db2.gz GSJVMLACSUTLJZ-UHFFFAOYSA-N 0 1 283.799 3.355 20 10 CGCDMN COC[C@]1(C)CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000824583820 633262033 /nfs/dbraw/zinc/26/20/33/633262033.db2.gz RKKCDTCFCKOKFA-CQSZACIVSA-N 0 1 287.762 3.043 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824654415 633269850 /nfs/dbraw/zinc/26/98/50/633269850.db2.gz NWDZTCLBTHDAOE-GFCCVEGCSA-N 0 1 255.720 3.169 20 10 CGCDMN CCn1ccnc1[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000825005359 633316861 /nfs/dbraw/zinc/31/68/61/633316861.db2.gz IITDEZSETVRGDK-RYUDHWBXSA-N 0 1 289.379 3.029 20 10 CGCDMN COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])cn1 ZINC000825096837 633327792 /nfs/dbraw/zinc/32/77/92/633327792.db2.gz KVKBCXWFBQIPON-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C2CCOCC2)cc1Cl ZINC000825347532 633348556 /nfs/dbraw/zinc/34/85/56/633348556.db2.gz NXTWEDWLFAXZQP-LLVKDONJSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1Cl ZINC000825525511 633361944 /nfs/dbraw/zinc/36/19/44/633361944.db2.gz FVTULQUUJQWTCK-CZUORRHYSA-N 0 1 295.810 3.401 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000825774563 633381403 /nfs/dbraw/zinc/38/14/03/633381403.db2.gz YLMSKEOZJAZVSZ-WCQYABFASA-N 0 1 283.799 3.353 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000825774563 633381404 /nfs/dbraw/zinc/38/14/04/633381404.db2.gz YLMSKEOZJAZVSZ-WCQYABFASA-N 0 1 283.799 3.353 20 10 CGCDMN CC[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2[O-])CCCO1 ZINC000825768438 633381463 /nfs/dbraw/zinc/38/14/63/633381463.db2.gz MGDIAAYQOUVQEG-ZDUSSCGKSA-N 0 1 283.799 3.355 20 10 CGCDMN CC[C@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2[O-])CCCO1 ZINC000825768438 633381465 /nfs/dbraw/zinc/38/14/65/633381465.db2.gz MGDIAAYQOUVQEG-ZDUSSCGKSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCOC(F)F)cc1Cl ZINC000825784223 633382075 /nfs/dbraw/zinc/38/20/75/633382075.db2.gz CJYXIVTXUXMSHS-UHFFFAOYSA-N 0 1 279.714 3.073 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]2C2CC2)cc1Cl ZINC000826043698 633400859 /nfs/dbraw/zinc/40/08/59/633400859.db2.gz ORJHGMHJRBIEJX-CYBMUJFWSA-N 0 1 251.757 3.338 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]2C2CC2)cc1Cl ZINC000826043698 633400866 /nfs/dbraw/zinc/40/08/66/633400866.db2.gz ORJHGMHJRBIEJX-CYBMUJFWSA-N 0 1 251.757 3.338 20 10 CGCDMN CCn1ccnc1[C@@H](C)NCc1cc(Cl)c(C)cc1O ZINC000826074485 633402916 /nfs/dbraw/zinc/40/29/16/633402916.db2.gz BRJZOPMGNVSXAO-LLVKDONJSA-N 0 1 293.798 3.421 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1Cl ZINC000826791655 633433414 /nfs/dbraw/zinc/43/34/14/633433414.db2.gz YXCNTFOQQCZHHU-ZDUSSCGKSA-N 0 1 296.842 3.316 20 10 CGCDMN CC1(C)OCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000827707790 633511389 /nfs/dbraw/zinc/51/13/89/633511389.db2.gz SLFHIZNIQYLFCH-HNNXBMFYSA-N 0 1 285.387 3.450 20 10 CGCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1cccc(O)c1F ZINC000872017539 633938140 /nfs/dbraw/zinc/93/81/40/633938140.db2.gz BNFJMKOJWGMMSQ-LBPRGKRZSA-N 0 1 288.366 3.448 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](CC)c1cc(Cl)ccc1[O-])[C@@H](C)O ZINC000834888205 634269257 /nfs/dbraw/zinc/26/92/57/634269257.db2.gz NNSVFKFMUXISRF-WQAKAFBOSA-N 0 1 271.788 3.246 20 10 CGCDMN C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000834903532 634280088 /nfs/dbraw/zinc/28/00/88/634280088.db2.gz IRARDJZHXUPFLY-JTQLQIEISA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@@H](NCc1ncccc1OC)c1ccc(C)cc1O ZINC000834905010 634281137 /nfs/dbraw/zinc/28/11/37/634281137.db2.gz DSPUCACGVIEWMB-CQSZACIVSA-N 0 1 286.375 3.345 20 10 CGCDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CCCc2occc2C1 ZINC000877538149 635078313 /nfs/dbraw/zinc/07/83/13/635078313.db2.gz WUJSAIVNKYOYGY-UHFFFAOYSA-N 0 1 279.286 3.212 20 10 CGCDMN CCO[C@@H]1CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840907736 635079794 /nfs/dbraw/zinc/07/97/94/635079794.db2.gz HZYDNOKREYQDPX-GFCCVEGCSA-N 0 1 283.799 3.355 20 10 CGCDMN CCO[C@@H]1CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840907736 635079800 /nfs/dbraw/zinc/07/98/00/635079800.db2.gz HZYDNOKREYQDPX-GFCCVEGCSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)c(Cl)c1 ZINC000840907445 635080028 /nfs/dbraw/zinc/08/00/28/635080028.db2.gz FAPSZDVTYCNQSY-GHMZBOCLSA-N 0 1 283.799 3.400 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCO[C@H](C)C2)c(Cl)c1 ZINC000840908745 635080357 /nfs/dbraw/zinc/08/03/57/635080357.db2.gz WKGANINXRAAMCO-NEPJUHHUSA-N 0 1 283.799 3.259 20 10 CGCDMN CCc1ncc(CN(CC)Cc2ccc(N(C)C)cc2)cn1 ZINC000840907491 635080367 /nfs/dbraw/zinc/08/03/67/635080367.db2.gz FNAWHMMZBGUBST-UHFFFAOYSA-N 0 1 298.434 3.127 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H]2CCCCO2)c(Cl)c1 ZINC000840911573 635081366 /nfs/dbraw/zinc/08/13/66/635081366.db2.gz HYSONHNDCUIPNZ-GFCCVEGCSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2CCCCO2)c(Cl)c1 ZINC000840911573 635081369 /nfs/dbraw/zinc/08/13/69/635081369.db2.gz HYSONHNDCUIPNZ-GFCCVEGCSA-N 0 1 283.799 3.355 20 10 CGCDMN COCC1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CCC1 ZINC000840942904 635088571 /nfs/dbraw/zinc/08/85/71/635088571.db2.gz MPFBTCQSGQJAIM-UHFFFAOYSA-N 0 1 283.799 3.260 20 10 CGCDMN Cc1cc(F)ccc1CN1Cc2cccc(O)c2C1 ZINC000877704048 635154956 /nfs/dbraw/zinc/15/49/56/635154956.db2.gz YGNLUSPDFNNKKJ-UHFFFAOYSA-N 0 1 257.308 3.356 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000841746029 635222422 /nfs/dbraw/zinc/22/24/22/635222422.db2.gz UGIHWHDYCFCQRK-PWSUYJOCSA-N 0 1 269.772 3.265 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(Cl)cc1[O-] ZINC000841748497 635224350 /nfs/dbraw/zinc/22/43/50/635224350.db2.gz ACPPLYCTZQVLMN-YMTOWFKASA-N 0 1 297.807 3.491 20 10 CGCDMN COc1ccncc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753357 635227299 /nfs/dbraw/zinc/22/72/99/635227299.db2.gz HGKFRBHLASRXBA-JTQLQIEISA-N 0 1 292.766 3.300 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(Cl)cc1[O-] ZINC000841758600 635232028 /nfs/dbraw/zinc/23/20/28/635232028.db2.gz TUYDGBMKNFSJTM-CABZTGNLSA-N 0 1 277.755 3.038 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841764115 635233244 /nfs/dbraw/zinc/23/32/44/635233244.db2.gz PFEXADVTFPNQHH-RISCZKNCSA-N 0 1 294.826 3.181 20 10 CGCDMN CC[N@@H+](CCSC)Cc1cc(Cl)cc(F)c1[O-] ZINC000843437765 635676505 /nfs/dbraw/zinc/67/65/05/635676505.db2.gz WKMZFWOEKDWMOS-UHFFFAOYSA-N 0 1 277.792 3.370 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000844907095 635981215 /nfs/dbraw/zinc/98/12/15/635981215.db2.gz HHPBMMIZQPFOEN-CQSZACIVSA-N 0 1 288.778 3.172 20 10 CGCDMN CN(Cc1c(O)ccc2ccccc21)C[C@H]1CCC[N@@H+]1C ZINC000211291173 636067786 /nfs/dbraw/zinc/06/77/86/636067786.db2.gz DBQZSMHYKRJWKR-OAHLLOKOSA-N 0 1 284.403 3.071 20 10 CGCDMN CN(Cc1c(O)ccc2ccccc21)C[C@H]1CCC[N@H+]1C ZINC000211291173 636067788 /nfs/dbraw/zinc/06/77/88/636067788.db2.gz DBQZSMHYKRJWKR-OAHLLOKOSA-N 0 1 284.403 3.071 20 10 CGCDMN CC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)[C@@H](C)CO1 ZINC000846044465 636138085 /nfs/dbraw/zinc/13/80/85/636138085.db2.gz QZOHCAZQZBXFLL-VHSXEESVSA-N 0 1 287.762 3.184 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846109566 636145298 /nfs/dbraw/zinc/14/52/98/636145298.db2.gz DPVMTTDXIWFHAV-DTORHVGOSA-N 0 1 294.128 3.396 20 10 CGCDMN CCc1cccc(CNc2cc3c(cn2)CCC3)c1O ZINC000848915140 636688338 /nfs/dbraw/zinc/68/83/38/636688338.db2.gz YULDQYGYCSSQGE-UHFFFAOYSA-N 0 1 268.360 3.450 20 10 CGCDMN CC[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000132514889 636814684 /nfs/dbraw/zinc/81/46/84/636814684.db2.gz MWOHHPUBPAPILF-SECBINFHSA-N 0 1 272.186 3.385 20 10 CGCDMN CC[C@H]([NH2+]C/C=C\CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000850506914 637094229 /nfs/dbraw/zinc/09/42/29/637094229.db2.gz CNFYTWQFVZDYMN-MVZIDQBPSA-N 0 1 289.297 3.000 20 10 CGCDMN COc1cccc([C@H](C)N[C@H](C)c2cscn2)c1O ZINC000850511262 637097618 /nfs/dbraw/zinc/09/76/18/637097618.db2.gz ARVFIDLSTVPYJO-VHSXEESVSA-N 0 1 278.377 3.269 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cc(Cl)ccc1[O-] ZINC000850547812 637116423 /nfs/dbraw/zinc/11/64/23/637116423.db2.gz XAHRUKPYLZRETM-CFVMTHIKSA-N 0 1 295.810 3.390 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)c2c1c(F)ccc2[O-] ZINC000850571197 637128746 /nfs/dbraw/zinc/12/87/46/637128746.db2.gz OODCZPLIZNVHJV-NTZNESFSSA-N 0 1 293.382 3.484 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886288566 637485823 /nfs/dbraw/zinc/48/58/23/637485823.db2.gz BSAKCCIPSKHZEW-NSHDSACASA-N 0 1 281.783 3.094 20 10 CGCDMN CN(Cc1cnn(-c2ccccc2)c1)Cc1ccccc1O ZINC000111235282 637804189 /nfs/dbraw/zinc/80/41/89/637804189.db2.gz OYSZTAKPUKAKCC-UHFFFAOYSA-N 0 1 293.370 3.210 20 10 CGCDMN C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@H]1C ZINC000300416118 637838217 /nfs/dbraw/zinc/83/82/17/637838217.db2.gz KCBMRKRVNUINQT-UHIISALHSA-N 0 1 251.345 3.446 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CC2(CCC2)C1 ZINC000829314227 638215898 /nfs/dbraw/zinc/21/58/98/638215898.db2.gz LTAQGVJUERSKSS-UHFFFAOYSA-N 0 1 251.757 3.468 20 10 CGCDMN CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000858484839 638736467 /nfs/dbraw/zinc/73/64/67/638736467.db2.gz CPJKWDXRXHISHQ-WCQYABFASA-N 0 1 285.815 3.493 20 10 CGCDMN Cc1ncc(C[NH2+]Cc2cc(Cl)ccc2[O-])s1 ZINC000040997440 639898750 /nfs/dbraw/zinc/89/87/50/639898750.db2.gz DQVADWXRJQTWCL-UHFFFAOYSA-N 0 1 268.769 3.100 20 10 CGCDMN C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000041158831 639900177 /nfs/dbraw/zinc/90/01/77/639900177.db2.gz QCBXOWVRDKVRKE-LBPRGKRZSA-N 0 1 281.359 3.130 20 10 CGCDMN CC1(C)CC[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])O1 ZINC000189735154 640205685 /nfs/dbraw/zinc/20/56/85/640205685.db2.gz YQMFTCWFKHYGMM-GFCCVEGCSA-N 0 1 269.772 3.093 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccccc1 ZINC000083551316 640596955 /nfs/dbraw/zinc/59/69/55/640596955.db2.gz KSVJUGWTYORPCN-UHFFFAOYSA-N 0 1 261.752 3.378 20 10 CGCDMN CC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000037323214 798866759 /nfs/dbraw/zinc/86/67/59/798866759.db2.gz ZNKZUOQSLRHQJL-VIFPVBQESA-N 0 1 269.772 3.479 20 10 CGCDMN C[C@@H]([NH2+]C1(C)CC1)c1cc(Br)ccc1[O-] ZINC000308892801 799218209 /nfs/dbraw/zinc/21/82/09/799218209.db2.gz YJLPRDQONSEPLL-MRVPVSSYSA-N 0 1 270.170 3.358 20 10 CGCDMN Cc1cc(CNCc2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000315396572 799235984 /nfs/dbraw/zinc/23/59/84/799235984.db2.gz SLVJSCTVOFNREH-UHFFFAOYSA-N 0 1 294.402 3.117 20 10 CGCDMN Oc1c(Br)cccc1CN1CCC[C@@H](F)C1 ZINC000689881723 799770395 /nfs/dbraw/zinc/77/03/95/799770395.db2.gz BFSLRDXQGSGAOF-SNVBAGLBSA-N 0 1 288.160 3.089 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+]CCCC1CC1 ZINC000691424299 799783387 /nfs/dbraw/zinc/78/33/87/799783387.db2.gz ASADECGIRMFVFG-UHFFFAOYSA-N 0 1 284.197 3.435 20 10 CGCDMN CCOc1cccc(CNCc2ccc(Cl)o2)c1O ZINC000698119066 799853109 /nfs/dbraw/zinc/85/31/09/799853109.db2.gz ATFBPVZYGJACCO-UHFFFAOYSA-N 0 1 281.739 3.327 20 10 CGCDMN C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000700863466 799881445 /nfs/dbraw/zinc/88/14/45/799881445.db2.gz SALHYHPZGQDYLA-SECBINFHSA-N 0 1 270.170 3.139 20 10 CGCDMN C[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000700863466 799881452 /nfs/dbraw/zinc/88/14/52/799881452.db2.gz SALHYHPZGQDYLA-SECBINFHSA-N 0 1 270.170 3.139 20 10 CGCDMN CN(C)c1ccccc1NCc1ccc(F)c(F)c1O ZINC000703234083 799920747 /nfs/dbraw/zinc/92/07/47/799920747.db2.gz OCPCIMUELYEYKP-UHFFFAOYSA-N 0 1 278.302 3.349 20 10 CGCDMN C[C@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706853876 799967604 /nfs/dbraw/zinc/96/76/04/799967604.db2.gz GWTSTXHZQSWLHJ-VHSXEESVSA-N 0 1 284.197 3.433 20 10 CGCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Br)C1CC1 ZINC000706854170 799967914 /nfs/dbraw/zinc/96/79/14/799967914.db2.gz RWNIZIPYHHAVMU-SECBINFHSA-N 0 1 284.197 3.290 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCCS1 ZINC000715666545 800142129 /nfs/dbraw/zinc/14/21/29/800142129.db2.gz KGOFVRPUCGKPSO-LBPRGKRZSA-N 0 1 271.813 3.421 20 10 CGCDMN COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000903129402 800593887 /nfs/dbraw/zinc/59/38/87/800593887.db2.gz VVWDDVJXWXRVOW-UMNHJUIQSA-N 0 1 297.782 3.038 20 10 CGCDMN [O-]c1c(Nc2cc[nH+]cc2)ccc(Cl)c1Cl ZINC001173884439 808739821 /nfs/dbraw/zinc/73/98/21/808739821.db2.gz IUUCCXRZJDAPAJ-UHFFFAOYSA-N 0 1 255.104 3.260 20 10 CGCDMN Cc1nnsc1[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001119743554 802696802 /nfs/dbraw/zinc/69/68/02/802696802.db2.gz LSLMCFJOVNBWTI-MNOVXSKESA-N 0 1 290.436 3.324 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2F)C[C@H]1C ZINC001137831758 803777864 /nfs/dbraw/zinc/77/78/64/803777864.db2.gz MKJSONBQXXXGDH-NWDGAFQWSA-N 0 1 251.345 3.399 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001137837304 803780813 /nfs/dbraw/zinc/78/08/13/803780813.db2.gz AMVSUCHOJXLSOO-ZDUSSCGKSA-N 0 1 286.350 3.306 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C[C@H]1F ZINC001138355007 803900259 /nfs/dbraw/zinc/90/02/59/803900259.db2.gz YHOWHGQKDVXGFH-CZUORRHYSA-N 0 1 276.399 3.249 20 10 CGCDMN C[C@@H]1CCN(Cc2ccc3c(c2)CCCN3C)C[C@H]1F ZINC001138355007 803900263 /nfs/dbraw/zinc/90/02/63/803900263.db2.gz YHOWHGQKDVXGFH-CZUORRHYSA-N 0 1 276.399 3.249 20 10 CGCDMN Cc1n[nH]c(C)c1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001139099352 804127677 /nfs/dbraw/zinc/12/76/77/804127677.db2.gz WIPPDNVDPUBBRO-UHFFFAOYSA-N 0 1 298.434 3.259 20 10 CGCDMN CCOc1ccncc1CN(CC)Cc1ccccc1O ZINC001139629063 804235951 /nfs/dbraw/zinc/23/59/51/804235951.db2.gz KNTPZKRIDXQKLQ-UHFFFAOYSA-N 0 1 286.375 3.208 20 10 CGCDMN C[N@H+](Cc1c(F)ccc(F)c1[O-])CC1CC(F)(F)C1 ZINC001139686143 804255282 /nfs/dbraw/zinc/25/52/82/804255282.db2.gz OZGVQKZSRCUMHF-UHFFFAOYSA-N 0 1 277.261 3.148 20 10 CGCDMN CC(C)[C@@H]1CCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139688012 804255161 /nfs/dbraw/zinc/25/51/61/804255161.db2.gz VTEXPHHOKPQAJX-ZDUSSCGKSA-N 0 1 255.308 3.291 20 10 CGCDMN C[N@@H+](CCC(=O)c1ccccc1)Cc1cc(F)ccc1O ZINC001140055387 804362724 /nfs/dbraw/zinc/36/27/24/804362724.db2.gz UNMYWOULPLPZJD-UHFFFAOYSA-N 0 1 287.334 3.236 20 10 CGCDMN Oc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001140461886 804441407 /nfs/dbraw/zinc/44/14/07/804441407.db2.gz WXPFPZJRJJYXQQ-PHIMTYICSA-N 0 1 251.757 3.278 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001140461886 804441408 /nfs/dbraw/zinc/44/14/08/804441408.db2.gz WXPFPZJRJJYXQQ-PHIMTYICSA-N 0 1 251.757 3.278 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001140461886 804441411 /nfs/dbraw/zinc/44/14/11/804441411.db2.gz WXPFPZJRJJYXQQ-PHIMTYICSA-N 0 1 251.757 3.278 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001140466469 804442764 /nfs/dbraw/zinc/44/27/64/804442764.db2.gz GSLDUQDFZUMSFS-GFCCVEGCSA-N 0 1 273.710 3.277 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001140466469 804442771 /nfs/dbraw/zinc/44/27/71/804442771.db2.gz GSLDUQDFZUMSFS-GFCCVEGCSA-N 0 1 273.710 3.277 20 10 CGCDMN CC(C)O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466161 804444393 /nfs/dbraw/zinc/44/43/93/804444393.db2.gz ZJSXBDNFLNXERG-ZDUSSCGKSA-N 0 1 269.772 3.045 20 10 CGCDMN CC(C)O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466161 804444399 /nfs/dbraw/zinc/44/43/99/804444399.db2.gz ZJSXBDNFLNXERG-ZDUSSCGKSA-N 0 1 269.772 3.045 20 10 CGCDMN CC[N@@H+](Cc1ccc2c(c1)ncn2C)Cc1ccccc1O ZINC001140509492 804449976 /nfs/dbraw/zinc/44/99/76/804449976.db2.gz MHCGDAUEBMABEM-UHFFFAOYSA-N 0 1 295.386 3.301 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001140580633 804465897 /nfs/dbraw/zinc/46/58/97/804465897.db2.gz BKKXLUYYKKEEGK-KCJUWKMLSA-N 0 1 289.272 3.148 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC12CCCC2 ZINC001140583039 804465926 /nfs/dbraw/zinc/46/59/26/804465926.db2.gz UPWFAICLIMUQLU-UHFFFAOYSA-N 0 1 253.292 3.189 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001140583488 804466662 /nfs/dbraw/zinc/46/66/62/804466662.db2.gz IWBIRWKFDWNNBF-HZMBPMFUSA-N 0 1 267.319 3.435 20 10 CGCDMN C[C@H]1CCN(Cc2c(O)cc(F)cc2F)CC1(F)F ZINC001140583155 804466877 /nfs/dbraw/zinc/46/68/77/804466877.db2.gz XJSKVYRORJCYEK-QMMMGPOBSA-N 0 1 277.261 3.148 20 10 CGCDMN COc1cc(O)c(CN(C)Cc2cccs2)c(OC)c1 ZINC001141028193 804575920 /nfs/dbraw/zinc/57/59/20/804575920.db2.gz FKAZJSFIAPVKKS-UHFFFAOYSA-N 0 1 293.388 3.103 20 10 CGCDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2CC[C@@](C)(O)C2)cc1Cl ZINC001248880750 805031555 /nfs/dbraw/zinc/03/15/55/805031555.db2.gz MFRACJPZTAUNAS-MRXNPFEDSA-N 0 1 297.826 3.300 20 10 CGCDMN CC(C)(C)c1cc([O-])c(C[N@H+]2CC[C@@](C)(O)C2)cc1Cl ZINC001248880750 805031564 /nfs/dbraw/zinc/03/15/64/805031564.db2.gz MFRACJPZTAUNAS-MRXNPFEDSA-N 0 1 297.826 3.300 20 10 CGCDMN CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001258065593 807285254 /nfs/dbraw/zinc/28/52/54/807285254.db2.gz MDKHCGIJVVTBEZ-QWHCGFSZSA-N 0 1 293.407 3.331 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])CCO1 ZINC001184374274 810197024 /nfs/dbraw/zinc/19/70/24/810197024.db2.gz LFMCNSRJKQIVIR-AWEZNQCLSA-N 0 1 299.361 3.307 20 10 CGCDMN Cc1ncc(CN(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001203112033 812243104 /nfs/dbraw/zinc/24/31/04/812243104.db2.gz VRXDVRJTFYJNMD-UHFFFAOYSA-N 0 1 296.418 3.017 20 10 CGCDMN CCC(CC)[N@H+](CC)Cc1ccc(OC)cc1[O-] ZINC001203628985 812410506 /nfs/dbraw/zinc/41/05/06/812410506.db2.gz MKWPHTHRFSCPAG-UHFFFAOYSA-N 0 1 251.370 3.411 20 10 CGCDMN CCC(CC)[N@@H+](CC)Cc1ccc(OC)cc1[O-] ZINC001203628985 812410512 /nfs/dbraw/zinc/41/05/12/812410512.db2.gz MKWPHTHRFSCPAG-UHFFFAOYSA-N 0 1 251.370 3.411 20 10 CGCDMN COc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001203627384 812411371 /nfs/dbraw/zinc/41/13/71/812411371.db2.gz BEHSLUUZMWLRKS-CQSZACIVSA-N 0 1 298.386 3.175 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001203651759 812414843 /nfs/dbraw/zinc/41/48/43/812414843.db2.gz UATVJYVAXSAOOP-NHYWBVRUSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001203651759 812414846 /nfs/dbraw/zinc/41/48/46/812414846.db2.gz UATVJYVAXSAOOP-NHYWBVRUSA-N 0 1 281.783 3.047 20 10 CGCDMN CC1(F)CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC001203651679 812415370 /nfs/dbraw/zinc/41/53/70/812415370.db2.gz SLFUNTTZOCSJDA-UHFFFAOYSA-N 0 1 257.736 3.370 20 10 CGCDMN COc1ccc(CN2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001203957699 812502411 /nfs/dbraw/zinc/50/24/11/812502411.db2.gz QPFQQRXMDWLDDE-UHFFFAOYSA-N 0 1 299.370 3.055 20 10 CGCDMN COC1(C)CN(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204233294 812580451 /nfs/dbraw/zinc/58/04/51/812580451.db2.gz PRRWILWBQPLJET-UHFFFAOYSA-N 0 1 284.403 3.127 20 10 CGCDMN Cc1cc(N)ncc1Nc1nc(-c2ccncc2)cs1 ZINC001209961412 814214871 /nfs/dbraw/zinc/21/48/71/814214871.db2.gz HXEGDEGGBBVKMK-UHFFFAOYSA-N 0 1 283.360 3.234 20 10 CGCDMN COc1cnccc1Nc1cc(Cl)cc(Cl)c1O ZINC001211263701 814866021 /nfs/dbraw/zinc/86/60/21/814866021.db2.gz ZTHGHBJHBZTOEN-UHFFFAOYSA-N 0 1 285.130 3.268 20 10 CGCDMN Nc1ccc(Nc2cncn2Cc2ccccc2)cc1 ZINC001216553966 815857788 /nfs/dbraw/zinc/85/77/88/815857788.db2.gz YLKJOBTUVBFOLW-UHFFFAOYSA-N 0 1 264.332 3.257 20 10 CGCDMN Oc1cccc(Nc2cncn2Cc2ccccc2)c1O ZINC001216553485 815857800 /nfs/dbraw/zinc/85/78/00/815857800.db2.gz CHLARXOVXLYQTC-UHFFFAOYSA-N 0 1 281.315 3.086 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2O)Cc2ccccc21 ZINC001231446342 818100738 /nfs/dbraw/zinc/10/07/38/818100738.db2.gz HEKIPWKKHGQZBQ-GFCCVEGCSA-N 0 1 297.354 3.210 20 10 CGCDMN CCC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231452347 818101745 /nfs/dbraw/zinc/10/17/45/818101745.db2.gz MNWRHOGIEWYOCU-CQSZACIVSA-N 0 1 277.364 3.245 20 10 CGCDMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231565218 818124500 /nfs/dbraw/zinc/12/45/00/818124500.db2.gz BJDKAERMYNCUGX-GFCCVEGCSA-N 0 1 297.354 3.037 20 10 CGCDMN Cc1cc(C)c(CN(C)Cc2cncs2)c(O)c1 ZINC001231849102 818188428 /nfs/dbraw/zinc/18/84/28/818188428.db2.gz MQMLRQALRGENLM-UHFFFAOYSA-N 0 1 262.378 3.098 20 10 CGCDMN COc1cc(N(C)C)ccc1CN1CCCC[C@@](C)(F)C1 ZINC001231849717 818189408 /nfs/dbraw/zinc/18/94/08/818189408.db2.gz XGVVYVWREOJMNH-QGZVFWFLSA-N 0 1 294.414 3.475 20 10 CGCDMN CN1CCC([N@H+](C)Cc2ccc3ccccc3c2[O-])CC1 ZINC001231877999 818197505 /nfs/dbraw/zinc/19/75/05/818197505.db2.gz CRIZGIYPVCWXJL-UHFFFAOYSA-N 0 1 284.403 3.071 20 10 CGCDMN CN1CCC([N@@H+](C)Cc2ccc3ccccc3c2[O-])CC1 ZINC001231877999 818197510 /nfs/dbraw/zinc/19/75/10/818197510.db2.gz CRIZGIYPVCWXJL-UHFFFAOYSA-N 0 1 284.403 3.071 20 10 CGCDMN C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879234 818198744 /nfs/dbraw/zinc/19/87/44/818198744.db2.gz AYEWPZQJWMSPBO-KBPBESRZSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879234 818198745 /nfs/dbraw/zinc/19/87/45/818198745.db2.gz AYEWPZQJWMSPBO-KBPBESRZSA-N 0 1 285.387 3.138 20 10 CGCDMN Cc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cc(C)n1 ZINC001232003578 818231709 /nfs/dbraw/zinc/23/17/09/818231709.db2.gz RWNANXGALMJRNI-UHFFFAOYSA-N 0 1 298.386 3.058 20 10 CGCDMN Cc1cc(CN2CCCc3cc(O)c(O)cc3C2)cc(C)n1 ZINC001232003578 818231713 /nfs/dbraw/zinc/23/17/13/818231713.db2.gz RWNANXGALMJRNI-UHFFFAOYSA-N 0 1 298.386 3.058 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC3(CCC3)C2)cc1Cl ZINC001232269465 818299423 /nfs/dbraw/zinc/29/94/23/818299423.db2.gz BIAJUZWVTWQRNF-UHFFFAOYSA-N 0 1 281.783 3.430 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC3(CCC3)C2)cc1Cl ZINC001232269465 818299430 /nfs/dbraw/zinc/29/94/30/818299430.db2.gz BIAJUZWVTWQRNF-UHFFFAOYSA-N 0 1 281.783 3.430 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC001232270167 818300311 /nfs/dbraw/zinc/30/03/11/818300311.db2.gz WIAPZVPKZGCXHY-GXSJLCMTSA-N 0 1 267.756 3.039 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC001232270167 818300319 /nfs/dbraw/zinc/30/03/19/818300319.db2.gz WIAPZVPKZGCXHY-GXSJLCMTSA-N 0 1 267.756 3.039 20 10 CGCDMN CCOc1ncc(C[N@H+]2CCc3cccc(O)c3C2)cc1C ZINC001232307281 818311378 /nfs/dbraw/zinc/31/13/78/818311378.db2.gz VGFSHTXZTWLEGN-UHFFFAOYSA-N 0 1 298.386 3.053 20 10 CGCDMN CCOc1ncc(CN2CCc3cccc(O)c3C2)cc1C ZINC001232307281 818311385 /nfs/dbraw/zinc/31/13/85/818311385.db2.gz VGFSHTXZTWLEGN-UHFFFAOYSA-N 0 1 298.386 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ZINC000828062716 633555454 /nfs/dbraw/zinc/55/54/54/633555454.db2.gz QCFSIXCSBTUEGY-QGZVFWFLSA-N 0 1 287.403 3.484 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCCS1 ZINC000123954585 634020266 /nfs/dbraw/zinc/02/02/66/634020266.db2.gz DTNUXHNNAOYJJG-VIFPVBQESA-N 0 1 257.786 3.031 20 10 CGCDMN CC(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000872799958 634211793 /nfs/dbraw/zinc/21/17/93/634211793.db2.gz IPTRCZJRVZPCPK-HNNXBMFYSA-N 0 1 283.371 3.346 20 10 CGCDMN CC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000872799958 634211798 /nfs/dbraw/zinc/21/17/98/634211798.db2.gz IPTRCZJRVZPCPK-HNNXBMFYSA-N 0 1 283.371 3.346 20 10 CGCDMN CCn1ccnc1[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000834768589 634239258 /nfs/dbraw/zinc/23/92/58/634239258.db2.gz CPSZDHDXMOVNKX-KBPBESRZSA-N 0 1 286.423 3.381 20 10 CGCDMN CCc1nc(CN[C@@H](CC)c2ccc(C)cc2O)co1 ZINC000834897048 634274429 /nfs/dbraw/zinc/27/44/29/634274429.db2.gz FIEKTPYHGSXXCQ-AWEZNQCLSA-N 0 1 274.364 3.492 20 10 CGCDMN CCc1nc(CN[C@H](C)c2cc(F)cc(F)c2O)co1 ZINC000834898580 634275098 /nfs/dbraw/zinc/27/50/98/634275098.db2.gz MERTYFYSFMURAT-MRVPVSSYSA-N 0 1 282.290 3.072 20 10 CGCDMN CCn1cc(CN(C)C/C=C\c2ccc(N(C)C)cc2)cn1 ZINC000835029847 634325612 /nfs/dbraw/zinc/32/56/12/634325612.db2.gz SZEDUNKTJPOYEB-SREVYHEPSA-N 0 1 298.434 3.114 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000102675102 634836345 /nfs/dbraw/zinc/83/63/45/634836345.db2.gz IDDGCENVPDEJDG-UHFFFAOYSA-N 0 1 299.374 3.293 20 10 CGCDMN CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000840764687 635048988 /nfs/dbraw/zinc/04/89/88/635048988.db2.gz XXOLEKGLTONNFV-ZMLRMANQSA-N 0 1 269.772 3.264 20 10 CGCDMN CO[C@]1(C)CCC[N@@H+](Cc2ccc(C)cc2O)CC1 ZINC000877491555 635058703 /nfs/dbraw/zinc/05/87/03/635058703.db2.gz MLSKVMQYRBLFIY-MRXNPFEDSA-N 0 1 263.381 3.092 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCS2)c(Cl)c1 ZINC000840903974 635079326 /nfs/dbraw/zinc/07/93/26/635079326.db2.gz FNYJXRQRDJABSF-SNVBAGLBSA-N 0 1 271.813 3.339 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2(C)CCOCC2)c(Cl)c1 ZINC000840904684 635078961 /nfs/dbraw/zinc/07/89/61/635078961.db2.gz LIAJYHYJCRZDCA-UHFFFAOYSA-N 0 1 283.799 3.260 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCCCO2)c(Cl)c1 ZINC000840936026 635085794 /nfs/dbraw/zinc/08/57/94/635085794.db2.gz DEPPFPBURAESFJ-LBPRGKRZSA-N 0 1 283.799 3.403 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC=CO2)c(Cl)c1 ZINC000840939256 635086808 /nfs/dbraw/zinc/08/68/08/635086808.db2.gz LPURAYNEMXUWSF-NSHDSACASA-N 0 1 267.756 3.136 20 10 CGCDMN Cc1cccc(O)c1CNc1cc2c(cn1)CCC2 ZINC000877553466 635087245 /nfs/dbraw/zinc/08/72/45/635087245.db2.gz STANKABBKZYCLA-UHFFFAOYSA-N 0 1 254.333 3.196 20 10 CGCDMN CO[C@](C)([C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000840961002 635094193 /nfs/dbraw/zinc/09/41/93/635094193.db2.gz PHEOOOBOQZIEOU-ZUZCIYMTSA-N 0 1 283.799 3.339 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)ccc(F)c1F ZINC000877603372 635107338 /nfs/dbraw/zinc/10/73/38/635107338.db2.gz LOZXKBQGUBNXSA-TZMCWYRMSA-N 0 1 297.345 3.061 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])[C@@H](C)O1 ZINC000877683124 635145348 /nfs/dbraw/zinc/14/53/48/635145348.db2.gz SSZIINAAFJMNSC-XHBSWPGZSA-N 0 1 271.360 3.201 20 10 CGCDMN CC(C)(O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877796221 635206662 /nfs/dbraw/zinc/20/66/62/635206662.db2.gz ADBNDLGEXMFZMP-LBPRGKRZSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1[C@@H](C)[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C ZINC000841690682 635211722 /nfs/dbraw/zinc/21/17/22/635211722.db2.gz MWIGNFRQOIGYGI-JHJVBQTASA-N 0 1 270.376 3.417 20 10 CGCDMN C[C@H]1[C@@H](C)[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C ZINC000841690682 635211729 /nfs/dbraw/zinc/21/17/29/635211729.db2.gz MWIGNFRQOIGYGI-JHJVBQTASA-N 0 1 270.376 3.417 20 10 CGCDMN CC(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747545 635223638 /nfs/dbraw/zinc/22/36/38/635223638.db2.gz RCFRFBQCUBIBHJ-JQWIXIFHSA-N 0 1 271.788 3.103 20 10 CGCDMN COC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841752118 635225283 /nfs/dbraw/zinc/22/52/83/635225283.db2.gz FZTBYIJOUWHQBA-JTQLQIEISA-N 0 1 269.772 3.265 20 10 CGCDMN CO[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000841749873 635225329 /nfs/dbraw/zinc/22/53/29/635225329.db2.gz IUGMVGWHBYPCEX-CPCISQLKSA-N 0 1 297.704 3.274 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(C)(C)O ZINC000841753366 635226951 /nfs/dbraw/zinc/22/69/51/635226951.db2.gz HGXHARXGLSWVFH-RNCFNFMXSA-N 0 1 271.788 3.246 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(C)(C)O ZINC000841753368 635227091 /nfs/dbraw/zinc/22/70/91/635227091.db2.gz HGXHARXGLSWVFH-TVQRCGJNSA-N 0 1 271.788 3.246 20 10 CGCDMN C[C@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841754845 635228333 /nfs/dbraw/zinc/22/83/33/635228333.db2.gz MONLOHTZGXFTFW-NEPJUHHUSA-N 0 1 282.815 3.181 20 10 CGCDMN COC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(C)C ZINC000841755795 635229542 /nfs/dbraw/zinc/22/95/42/635229542.db2.gz SAHMTQKRIWVUEE-GXFFZTMASA-N 0 1 271.788 3.367 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1COCc2ccccc21 ZINC000841889431 635247969 /nfs/dbraw/zinc/24/79/69/635247969.db2.gz BJBUXYUFLZGVLA-HNNXBMFYSA-N 0 1 289.762 3.407 20 10 CGCDMN [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(Cl)cc(F)c1[O-] ZINC000843053733 635551749 /nfs/dbraw/zinc/55/17/49/635551749.db2.gz GSBKFFFTVKACPB-YHWZYXNKSA-N 0 1 298.789 3.029 20 10 CGCDMN C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC2(CCC2)O1 ZINC000843432728 635673988 /nfs/dbraw/zinc/67/39/88/635673988.db2.gz OLCLOYLCXKTACZ-JTQLQIEISA-N 0 1 299.773 3.328 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC2(CCC2)O1 ZINC000843432728 635673996 /nfs/dbraw/zinc/67/39/96/635673996.db2.gz OLCLOYLCXKTACZ-JTQLQIEISA-N 0 1 299.773 3.328 20 10 CGCDMN C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CC2(CCC2)O1 ZINC000843432728 635674002 /nfs/dbraw/zinc/67/40/02/635674002.db2.gz OLCLOYLCXKTACZ-JTQLQIEISA-N 0 1 299.773 3.328 20 10 CGCDMN CC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@@H](C)CO1 ZINC000846045417 636137844 /nfs/dbraw/zinc/13/78/44/636137844.db2.gz XCSUYSBLXUCUDA-JOYOIKCWSA-N 0 1 287.762 3.184 20 10 CGCDMN COc1cccc([C@H](C)NCc2cc(C(C)C)no2)c1O ZINC000846142975 636149214 /nfs/dbraw/zinc/14/92/14/636149214.db2.gz DRZNGFUBTMKXIS-NSHDSACASA-N 0 1 290.363 3.363 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(C2CC2)CC1 ZINC000130697198 636500352 /nfs/dbraw/zinc/50/03/52/636500352.db2.gz CXUXUKSKSSPOSZ-UHFFFAOYSA-N 0 1 251.757 3.325 20 10 CGCDMN CCc1cccc(CN(CCOC)Cc2ccco2)c1O ZINC000848882651 636672017 /nfs/dbraw/zinc/67/20/17/636672017.db2.gz WWBWHJKWNROPEX-UHFFFAOYSA-N 0 1 289.375 3.196 20 10 CGCDMN CCc1cccc(CN2CCC[C@@H]2c2ncc[nH]2)c1O ZINC000848903400 636684306 /nfs/dbraw/zinc/68/43/06/636684306.db2.gz RWCGNKMBLIKOLG-CQSZACIVSA-N 0 1 271.364 3.015 20 10 CGCDMN Cc1noc([C@@H](C)N(C)Cc2cc(Cl)cc(F)c2O)n1 ZINC000848926002 636699218 /nfs/dbraw/zinc/69/92/18/636699218.db2.gz PAKFHXJHAWDRQM-SSDOTTSWSA-N 0 1 299.733 3.069 20 10 CGCDMN CCCC[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132428201 636808294 /nfs/dbraw/zinc/80/82/94/636808294.db2.gz UELMJYFULRCUDX-UHFFFAOYSA-N 0 1 272.186 3.387 20 10 CGCDMN CCCC[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132428201 636808298 /nfs/dbraw/zinc/80/82/98/636808298.db2.gz UELMJYFULRCUDX-UHFFFAOYSA-N 0 1 272.186 3.387 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCOC2(C)C)c(Cl)c1 ZINC000850409319 637051436 /nfs/dbraw/zinc/05/14/36/637051436.db2.gz QPQKMRAMHOMVIS-NSHDSACASA-N 0 1 283.799 3.259 20 10 CGCDMN CC[C@@H](O)C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000850529239 637107513 /nfs/dbraw/zinc/10/75/13/637107513.db2.gz OXNJPSGTUPXHHC-ZYHUDNBSSA-N 0 1 291.313 3.223 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@]12CCOC2 ZINC000886192454 637453961 /nfs/dbraw/zinc/45/39/61/637453961.db2.gz XBFGJQJYIPGOIP-WMZOPIPTSA-N 0 1 289.419 3.421 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@]12CCOC2 ZINC000886192454 637453964 /nfs/dbraw/zinc/45/39/64/637453964.db2.gz XBFGJQJYIPGOIP-WMZOPIPTSA-N 0 1 289.419 3.421 20 10 CGCDMN Cc1cc(O)c(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1C ZINC000853629836 637877048 /nfs/dbraw/zinc/87/70/48/637877048.db2.gz LSOCYTTUQIJMBQ-MLGOLLRUSA-N 0 1 299.361 3.254 20 10 CGCDMN Cc1cc(C)c([C@@H](C)NCc2cc(C3CC3)n(C)n2)c(O)c1 ZINC000927108482 638843132 /nfs/dbraw/zinc/84/31/32/638843132.db2.gz QKTLOARLTOMDQR-CYBMUJFWSA-N 0 1 299.418 3.471 20 10 CGCDMN CC[C@H]([NH2+][C@H]1C[C@H](OC)C1)c1cc(Cl)ccc1[O-] ZINC000858583930 638998353 /nfs/dbraw/zinc/99/83/53/638998353.db2.gz JJXOHIGKQNXLSM-GVXVVHGQSA-N 0 1 269.772 3.264 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCSC[C@@H]2C)c1[O-] ZINC000934301696 639574985 /nfs/dbraw/zinc/57/49/85/639574985.db2.gz WYFMZNLIYWXZAD-JTQLQIEISA-N 0 1 297.395 3.061 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCSC[C@@H]2C)c1[O-] ZINC000934301696 639574993 /nfs/dbraw/zinc/57/49/93/639574993.db2.gz WYFMZNLIYWXZAD-JTQLQIEISA-N 0 1 297.395 3.061 20 10 CGCDMN CC(=O)c1cc(F)cc(CN2CCCSC[C@@H]2C)c1O ZINC000934301696 639574996 /nfs/dbraw/zinc/57/49/96/639574996.db2.gz WYFMZNLIYWXZAD-JTQLQIEISA-N 0 1 297.395 3.061 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1ccsc1 ZINC000083551681 640597564 /nfs/dbraw/zinc/59/75/64/640597564.db2.gz YQDQERCRXKGZTL-UHFFFAOYSA-N 0 1 267.781 3.439 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])[C@@H]1C ZINC000091859986 640725255 /nfs/dbraw/zinc/72/52/55/640725255.db2.gz AQBPSBYJGNQYFP-NXEZZACHSA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)[C@H](C)CO1 ZINC000092017211 640729730 /nfs/dbraw/zinc/72/97/30/640729730.db2.gz OOXKRSAQVAQPOT-HZPDHXFCSA-N 0 1 288.435 3.286 20 10 CGCDMN CCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000037323064 798866772 /nfs/dbraw/zinc/86/67/72/798866772.db2.gz NRFXNRVQZXLTHY-UHFFFAOYSA-N 0 1 267.344 3.354 20 10 CGCDMN CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000394095775 799494345 /nfs/dbraw/zinc/49/43/45/799494345.db2.gz QSUYPKXLDOGIMH-DZGCQCFKSA-N 0 1 287.403 3.461 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000693136153 799808472 /nfs/dbraw/zinc/80/84/72/799808472.db2.gz BJQYXVIPIYKSMO-ZWNOBZJWSA-N 0 1 282.181 3.187 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCC1SCCS1 ZINC000693781521 799814723 /nfs/dbraw/zinc/81/47/23/799814723.db2.gz VCHZJHCGEYHRHM-UHFFFAOYSA-N 0 1 289.853 3.331 20 10 CGCDMN CC[C@@H]1C[C@H]1C[NH2+]Cc1c([O-])cccc1Br ZINC000706831881 799967299 /nfs/dbraw/zinc/96/72/99/799967299.db2.gz SLRINIJTDWNMEA-ZJUUUORDSA-N 0 1 284.197 3.290 20 10 CGCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Br)C1CC1 ZINC000706854171 799967959 /nfs/dbraw/zinc/96/79/59/799967959.db2.gz RWNIZIPYHHAVMU-VIFPVBQESA-N 0 1 284.197 3.290 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000706872019 799969020 /nfs/dbraw/zinc/96/90/20/799969020.db2.gz CRJNJSGYHMTXGF-GBIKHYSHSA-N 0 1 296.208 3.433 20 10 CGCDMN Cc1ccc(O)c(CNCc2csc(C3CC3)n2)c1 ZINC000708228268 799982967 /nfs/dbraw/zinc/98/29/67/799982967.db2.gz PGMKURKURIZPPD-UHFFFAOYSA-N 0 1 274.389 3.324 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000708385460 799987576 /nfs/dbraw/zinc/98/75/76/799987576.db2.gz SKJZPQXSZJXNJD-UHFFFAOYSA-N 0 1 277.261 3.292 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715701657 800145197 /nfs/dbraw/zinc/14/51/97/800145197.db2.gz GGZDQVYIVVYXSM-QMMMGPOBSA-N 0 1 288.160 3.136 20 10 CGCDMN CCN(Cc1ncc(C(F)(F)F)[nH]1)Cc1ccccc1O ZINC001137018965 803672224 /nfs/dbraw/zinc/67/22/24/803672224.db2.gz LYLFBPDOERRCIV-UHFFFAOYSA-N 0 1 299.296 3.156 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C[C@H]1C ZINC001138122583 803861641 /nfs/dbraw/zinc/86/16/41/803861641.db2.gz ONJWDXDVPDNHMH-NWDGAFQWSA-N 0 1 251.345 3.399 20 10 CGCDMN C[C@@]1(F)CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC001138122674 803863427 /nfs/dbraw/zinc/86/34/27/803863427.db2.gz UEUHDMYQVVBLGW-CQSZACIVSA-N 0 1 255.308 3.245 20 10 CGCDMN Cc1cc(CN2CCC[C@@H]2c2cnccn2)ccc1N(C)C ZINC001139673602 804247817 /nfs/dbraw/zinc/24/78/17/804247817.db2.gz VVKGDDBNYOGNBP-GOSISDBHSA-N 0 1 296.418 3.188 20 10 CGCDMN C[N@@H+](CCOc1ccccc1)Cc1c(F)ccc(F)c1[O-] ZINC001139682972 804252999 /nfs/dbraw/zinc/25/29/99/804252999.db2.gz DDJWCQFBBWUVDR-UHFFFAOYSA-N 0 1 293.313 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[O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895842747 619892734 /nfs/dbraw/zinc/89/27/34/619892734.db2.gz FHVOESFPFMKNRL-XHDPSFHLSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895842747 619892735 /nfs/dbraw/zinc/89/27/35/619892735.db2.gz FHVOESFPFMKNRL-XHDPSFHLSA-N 0 1 281.783 3.047 20 10 CGCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CC1(C)C ZINC000864050668 620359634 /nfs/dbraw/zinc/35/96/34/620359634.db2.gz MYNJGTDUGDUXAI-SNVBAGLBSA-N 0 1 255.308 3.148 20 10 CGCDMN Cc1nc(CN[C@H](C)c2ccc(C)cc2O)cs1 ZINC000041010448 620550111 /nfs/dbraw/zinc/55/01/11/620550111.db2.gz DCDQGBXRXGWVOS-SNVBAGLBSA-N 0 1 262.378 3.316 20 10 CGCDMN C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1cc(F)ccc1[O-] ZINC000927069850 620570677 /nfs/dbraw/zinc/57/06/77/620570677.db2.gz NJLHVGRMIKTEKW-XTQGRXLLSA-N 0 1 293.382 3.387 20 10 CGCDMN [O-]c1ccccc1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000898516175 620595096 /nfs/dbraw/zinc/59/50/96/620595096.db2.gz 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QTBNYNWTLKMPOT-ZDUSSCGKSA-N 0 1 298.814 3.001 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775493945 628100761 /nfs/dbraw/zinc/10/07/61/628100761.db2.gz WUKMGSLSOJHYII-HUUCEWRRSA-N 0 1 296.842 3.427 20 10 CGCDMN CC[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000775503737 628101622 /nfs/dbraw/zinc/10/16/22/628101622.db2.gz NIUQIJWPFXJTCG-YDHLFZDLSA-N 0 1 283.799 3.390 20 10 CGCDMN CC[C@@H]([NH2+][C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000775502809 628101874 /nfs/dbraw/zinc/10/18/74/628101874.db2.gz WCZBHUHCFDMOCP-DGCLKSJQSA-N 0 1 269.772 3.265 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)C(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000775533781 628103797 /nfs/dbraw/zinc/10/37/97/628103797.db2.gz PJFGMRCQWHHMFR-SKDRFNHKSA-N 0 1 271.788 3.246 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000775552220 628105807 /nfs/dbraw/zinc/10/58/07/628105807.db2.gz SZNCUTKSGAMUNJ-CWSCBRNRSA-N 0 1 271.788 3.246 20 10 CGCDMN C[C@@H](C1CC1)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775650618 628120263 /nfs/dbraw/zinc/12/02/63/628120263.db2.gz SLQGCFBPFYGHID-QMMMGPOBSA-N 0 1 257.736 3.415 20 10 CGCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCCOC1 ZINC000775681304 628124534 /nfs/dbraw/zinc/12/45/34/628124534.db2.gz OQPSJPXHMAGXDH-JTQLQIEISA-N 0 1 287.762 3.043 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000775738554 628131522 /nfs/dbraw/zinc/13/15/22/628131522.db2.gz HFPIBPHKGSHNTI-OCCSQVGLSA-N 0 1 295.810 3.294 20 10 CGCDMN CCC[N@@H+](Cc1cncc(F)c1)Cc1ccccc1O ZINC000779155225 628391207 /nfs/dbraw/zinc/39/12/07/628391207.db2.gz BXWGNAQPPJYDLY-UHFFFAOYSA-N 0 1 274.339 3.339 20 10 CGCDMN C[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C[C@H]1F ZINC000779151363 628391225 /nfs/dbraw/zinc/39/12/25/628391225.db2.gz XJIVCCHYTSXYTQ-QPUJVOFHSA-N 0 1 275.726 3.365 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1nccnc1C ZINC000783247432 628694324 /nfs/dbraw/zinc/69/43/24/628694324.db2.gz WXFBXLKWXLWOKP-CQSZACIVSA-N 0 1 284.407 3.010 20 10 CGCDMN CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000783603208 628731341 /nfs/dbraw/zinc/73/13/41/628731341.db2.gz MSEPUEQWTFIUOL-GFCCVEGCSA-N 0 1 287.762 3.186 20 10 CGCDMN C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000790934632 629242231 /nfs/dbraw/zinc/24/22/31/629242231.db2.gz PVOABYWPTTUSLX-BXUZGUMPSA-N 0 1 283.799 3.171 20 10 CGCDMN C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000790934632 629242232 /nfs/dbraw/zinc/24/22/32/629242232.db2.gz PVOABYWPTTUSLX-BXUZGUMPSA-N 0 1 283.799 3.171 20 10 CGCDMN CC[N@H+](Cc1c([O-])cccc1Br)C1CC1 ZINC000862220975 629325438 /nfs/dbraw/zinc/32/54/38/629325438.db2.gz OXZSJNVYLOCUOB-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN CC[N@@H+](Cc1c([O-])cccc1Br)C1CC1 ZINC000862220975 629325441 /nfs/dbraw/zinc/32/54/41/629325441.db2.gz OXZSJNVYLOCUOB-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN CCN(Cc1c(O)cccc1Br)C1CC1 ZINC000862220975 629325445 /nfs/dbraw/zinc/32/54/45/629325445.db2.gz OXZSJNVYLOCUOB-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN CC[N@@H+](Cc1c([O-])cccc1Br)CC1CC1 ZINC000862244115 629329549 /nfs/dbraw/zinc/32/95/49/629329549.db2.gz WCRHHAMAYHZVQM-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN CC[N@H+](Cc1c([O-])cccc1Br)CC1CC1 ZINC000862244115 629329552 /nfs/dbraw/zinc/32/95/52/629329552.db2.gz WCRHHAMAYHZVQM-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN CCn1cc(CN(C)Cc2c(O)ccc(Cl)c2F)cn1 ZINC000792167081 629343558 /nfs/dbraw/zinc/34/35/58/629343558.db2.gz ZABMKXDSLRZDQM-UHFFFAOYSA-N 0 1 297.761 3.033 20 10 CGCDMN CC[C@H]1CC[N@@H+]1Cc1c([O-])cccc1Br ZINC000862377245 629357216 /nfs/dbraw/zinc/35/72/16/629357216.db2.gz OKDFJBQSZLJKCV-VIFPVBQESA-N 0 1 270.170 3.139 20 10 CGCDMN CC[C@H]1CC[N@H+]1Cc1c([O-])cccc1Br ZINC000862377245 629357222 /nfs/dbraw/zinc/35/72/22/629357222.db2.gz OKDFJBQSZLJKCV-VIFPVBQESA-N 0 1 270.170 3.139 20 10 CGCDMN CCOc1ccc(CNc2ccnc(C)c2Cl)c(O)c1 ZINC000792691526 629375275 /nfs/dbraw/zinc/37/52/75/629375275.db2.gz OQEZSNVKHSGNCD-UHFFFAOYSA-N 0 1 292.766 3.182 20 10 CGCDMN COc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)c(O)c1 ZINC000793389638 629453967 /nfs/dbraw/zinc/45/39/67/629453967.db2.gz KUFYHDGQSNRQKO-UHFFFAOYSA-N 0 1 293.750 3.050 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cc(C)nn1C)c1cc(Cl)ccc1[O-] ZINC000793560337 629483999 /nfs/dbraw/zinc/48/39/99/629483999.db2.gz NQFYOPFHZPWFLT-CQSZACIVSA-N 0 1 293.798 3.328 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000793621530 629491050 /nfs/dbraw/zinc/49/10/50/629491050.db2.gz XLUANOOLTLSXAK-HNNXBMFYSA-N 0 1 299.773 3.187 20 10 CGCDMN Cc1cnc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000793906992 629507611 /nfs/dbraw/zinc/50/76/11/629507611.db2.gz JOSAYMYUQDNLBY-KBPBESRZSA-N 0 1 284.407 3.263 20 10 CGCDMN CC(C)Cn1ccnc1NCc1ccc(N(C)C)cc1 ZINC000795806415 629717780 /nfs/dbraw/zinc/71/77/80/629717780.db2.gz YPOFNFTUEBUOQM-UHFFFAOYSA-N 0 1 272.396 3.217 20 10 CGCDMN CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)OCCC ZINC000801596662 630346930 /nfs/dbraw/zinc/34/69/30/630346930.db2.gz JBKSEUOHGCXMQM-AWEZNQCLSA-N 0 1 293.407 3.336 20 10 CGCDMN CS[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000865734296 630453524 /nfs/dbraw/zinc/45/35/24/630453524.db2.gz RNIDNFWBVLNJSC-KYZUINATSA-N 0 1 257.786 3.029 20 10 CGCDMN CC(C)C[C@H](CO)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000809767568 630801945 /nfs/dbraw/zinc/80/19/45/630801945.db2.gz OHWIFJYLSSDZKD-SNVBAGLBSA-N 0 1 289.778 3.024 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCC1(F)F ZINC000811778686 631119352 /nfs/dbraw/zinc/11/93/52/631119352.db2.gz KMQKFIZKKWTIHZ-NSHDSACASA-N 0 1 292.329 3.418 20 10 CGCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCC1(F)F ZINC000811778686 631119355 /nfs/dbraw/zinc/11/93/55/631119355.db2.gz KMQKFIZKKWTIHZ-NSHDSACASA-N 0 1 292.329 3.418 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCC1(F)F ZINC000811778686 631119362 /nfs/dbraw/zinc/11/93/62/631119362.db2.gz KMQKFIZKKWTIHZ-NSHDSACASA-N 0 1 292.329 3.418 20 10 CGCDMN CC[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@H](C)OC ZINC000812807981 631316573 /nfs/dbraw/zinc/31/65/73/631316573.db2.gz NQMKXVKMADDYOH-VIFPVBQESA-N 0 1 275.751 3.042 20 10 CGCDMN COCC(C)(C)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000813883881 631476558 /nfs/dbraw/zinc/47/65/58/631476558.db2.gz YRZXMAKYKPBYMU-CMPLNLGQSA-N 0 1 281.371 3.342 20 10 CGCDMN Cc1cc(CN2CCOc3ccccc3C2)ccc1N(C)C ZINC000815021028 631705455 /nfs/dbraw/zinc/70/54/55/631705455.db2.gz AXLKKEGBAVFFQS-UHFFFAOYSA-N 0 1 296.414 3.456 20 10 CGCDMN CO[C@H](C)C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000816515371 632000904 /nfs/dbraw/zinc/00/09/04/632000904.db2.gz XXJHHZPRAXNLAF-SNVBAGLBSA-N 0 1 289.778 3.430 20 10 CGCDMN C[N@H+](CCOCC1CC1)Cc1ccc2ccccc2c1[O-] ZINC000816517551 632002053 /nfs/dbraw/zinc/00/20/53/632002053.db2.gz UQTCDOWYSNODOQ-UHFFFAOYSA-N 0 1 285.387 3.404 20 10 CGCDMN C[N@@H+](CCOCC1CC1)Cc1ccc2ccccc2c1[O-] ZINC000816517551 632002057 /nfs/dbraw/zinc/00/20/57/632002057.db2.gz UQTCDOWYSNODOQ-UHFFFAOYSA-N 0 1 285.387 3.404 20 10 CGCDMN COC(C)(C)C[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816520296 632002787 /nfs/dbraw/zinc/00/27/87/632002787.db2.gz LMLZSHVMOJSNJM-UHFFFAOYSA-N 0 1 273.376 3.402 20 10 CGCDMN COC(C)(C)C[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816520296 632002794 /nfs/dbraw/zinc/00/27/94/632002794.db2.gz LMLZSHVMOJSNJM-UHFFFAOYSA-N 0 1 273.376 3.402 20 10 CGCDMN CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548710 632007308 /nfs/dbraw/zinc/00/73/08/632007308.db2.gz QBJIJHYIEFOFHS-BLLLJJGKSA-N 0 1 273.376 3.042 20 10 CGCDMN COC(C)(C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816554151 632010006 /nfs/dbraw/zinc/01/00/06/632010006.db2.gz QIRQXCYYHCQDHM-UHFFFAOYSA-N 0 1 259.349 3.060 20 10 CGCDMN CCn1cc(C[NH2+]Cc2ccc3ccccc3c2[O-])cn1 ZINC000816552847 632010362 /nfs/dbraw/zinc/01/03/62/632010362.db2.gz ZCEZAMNQSSOPMP-UHFFFAOYSA-N 0 1 281.359 3.052 20 10 CGCDMN Oc1c(CNc2ccc3nn[nH]c3c2)ccc2ccccc21 ZINC000816557307 632011806 /nfs/dbraw/zinc/01/18/06/632011806.db2.gz LNWDYLXVADYKPN-UHFFFAOYSA-N 0 1 290.326 3.429 20 10 CGCDMN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816560658 632013558 /nfs/dbraw/zinc/01/35/58/632013558.db2.gz WRNTUCUEUCLYAB-WMLDXEAASA-N 0 1 285.387 3.450 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)[C@@H](C)[C@@H](C)O1 ZINC000816586362 632017707 /nfs/dbraw/zinc/01/77/07/632017707.db2.gz GHAILAKGSMXYGW-KXUCPTDWSA-N 0 1 287.762 3.182 20 10 CGCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816595066 632019317 /nfs/dbraw/zinc/01/93/17/632019317.db2.gz YDOPYARTXHNSTL-CQSZACIVSA-N 0 1 287.762 3.186 20 10 CGCDMN CC(C)(NCc1cc(Cl)c(F)cc1O)C(F)F ZINC000816594594 632019357 /nfs/dbraw/zinc/01/93/57/632019357.db2.gz JMRRMEBGEUSUIW-UHFFFAOYSA-N 0 1 267.678 3.318 20 10 CGCDMN CC[C@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@H](CC)O1 ZINC000817366083 632133028 /nfs/dbraw/zinc/13/30/28/632133028.db2.gz UAYJQAGAVPHNSB-GJZGRUSLSA-N 0 1 293.407 3.099 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000817419200 632146802 /nfs/dbraw/zinc/14/68/02/632146802.db2.gz QXCZHOOUVMPHQG-LBPRGKRZSA-N 0 1 283.799 3.030 20 10 CGCDMN C[C@H]([NH2+]CC(C)(C)N)c1ccc(Cl)c(Cl)c1[O-] ZINC000817961125 632257673 /nfs/dbraw/zinc/25/76/73/632257673.db2.gz XLIOGJMLLDMJOW-ZETCQYMHSA-N 0 1 277.195 3.087 20 10 CGCDMN CC[C@H](N)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817979892 632270315 /nfs/dbraw/zinc/27/03/15/632270315.db2.gz PZGCNRMIYYGDSC-YUMQZZPRSA-N 0 1 277.195 3.087 20 10 CGCDMN CC[C@H]([NH2+][C@H]1CCCCNC1)c1cccc(Cl)c1[O-] ZINC000817984714 632274190 /nfs/dbraw/zinc/27/41/90/632274190.db2.gz XRWZIAZAAPFUGR-FZMZJTMJSA-N 0 1 282.815 3.228 20 10 CGCDMN COc1cccc(CN[C@H]2C[C@@]2(F)c2ccccc2)c1O ZINC000818231077 632300131 /nfs/dbraw/zinc/30/01/31/632300131.db2.gz UUGWTXQLWOWSMK-DOTOQJQBSA-N 0 1 287.334 3.128 20 10 CGCDMN CC(C)n1cncc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000822438633 632926660 /nfs/dbraw/zinc/92/66/60/632926660.db2.gz LJZIJZKSZNMMEG-UHFFFAOYSA-N 0 1 286.423 3.162 20 10 CGCDMN C[C@@H](NCc1ccncc1F)c1ccc(N(C)C)cc1 ZINC000824195408 633210399 /nfs/dbraw/zinc/21/03/99/633210399.db2.gz DJJFCWIZQOZQSC-GFCCVEGCSA-N 0 1 273.355 3.138 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccnn1C ZINC000866612655 633212532 /nfs/dbraw/zinc/21/25/32/633212532.db2.gz AYEVQEAVVBHKAS-VHSXEESVSA-N 0 1 279.771 3.191 20 10 CGCDMN CC1(C)CCN1Cc1ccc(Br)cc1O ZINC000824826372 633296396 /nfs/dbraw/zinc/29/63/96/633296396.db2.gz ZAZUYBVGOHABND-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN CC1(C)CC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000824826372 633296404 /nfs/dbraw/zinc/29/64/04/633296404.db2.gz ZAZUYBVGOHABND-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN CC1(C)CC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000824826372 633296409 /nfs/dbraw/zinc/29/64/09/633296409.db2.gz ZAZUYBVGOHABND-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN COc1cccc2c1CN(Cc1cc(F)ccc1O)CC2 ZINC000824982242 633314037 /nfs/dbraw/zinc/31/40/37/633314037.db2.gz CWSZNGXXIADORT-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN CCn1ccnc1[C@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000825005357 633317000 /nfs/dbraw/zinc/31/70/00/633317000.db2.gz IITDEZSETVRGDK-NEPJUHHUSA-N 0 1 289.379 3.029 20 10 CGCDMN CCCc1ncc(CNCc2cccc(OCC)c2O)o1 ZINC000825084345 633327161 /nfs/dbraw/zinc/32/71/61/633327161.db2.gz FAFFTSDJMVJIDG-UHFFFAOYSA-N 0 1 290.363 3.021 20 10 CGCDMN CO[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])C(C)C ZINC000825321156 633344482 /nfs/dbraw/zinc/34/44/82/633344482.db2.gz TVNPFCAJLNWMNQ-AWEZNQCLSA-N 0 1 271.788 3.115 20 10 CGCDMN CS[C@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825365970 633349124 /nfs/dbraw/zinc/34/91/24/633349124.db2.gz PPQUDENCWRAASG-SECBINFHSA-N 0 1 259.802 3.195 20 10 CGCDMN CS[C@@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825365971 633349395 /nfs/dbraw/zinc/34/93/95/633349395.db2.gz PPQUDENCWRAASG-VIFPVBQESA-N 0 1 259.802 3.195 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC=CO2)cc1Cl ZINC000825622472 633368311 /nfs/dbraw/zinc/36/83/11/633368311.db2.gz VPFQOWZDALIROB-LBPRGKRZSA-N 0 1 267.756 3.136 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@H]2C[C@H](C)O)cc1Cl ZINC000825731035 633377632 /nfs/dbraw/zinc/37/76/32/633377632.db2.gz CIZDJWWHHKTRLA-JSGCOSHPSA-N 0 1 297.826 3.479 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cc1Cl ZINC000825731035 633377635 /nfs/dbraw/zinc/37/76/35/633377635.db2.gz CIZDJWWHHKTRLA-JSGCOSHPSA-N 0 1 297.826 3.479 20 10 CGCDMN COCC1(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CCC1 ZINC000825773669 633381380 /nfs/dbraw/zinc/38/13/80/633381380.db2.gz MZZSWTGVDBVWBR-UHFFFAOYSA-N 0 1 283.799 3.260 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000825824932 633382859 /nfs/dbraw/zinc/38/28/59/633382859.db2.gz PYHLFQVBIVNYJG-HOCLYGCPSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000825824932 633382862 /nfs/dbraw/zinc/38/28/62/633382862.db2.gz PYHLFQVBIVNYJG-HOCLYGCPSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000825824932 633382864 /nfs/dbraw/zinc/38/28/64/633382864.db2.gz PYHLFQVBIVNYJG-HOCLYGCPSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1Cl ZINC000825842610 633383486 /nfs/dbraw/zinc/38/34/86/633383486.db2.gz ASXQZSCHHBFUSZ-MRXNPFEDSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1Cl ZINC000825842610 633383488 /nfs/dbraw/zinc/38/34/88/633383488.db2.gz ASXQZSCHHBFUSZ-MRXNPFEDSA-N 0 1 295.810 3.357 20 10 CGCDMN CCc1ncc(CNCc2cc(Cl)c(C)cc2O)o1 ZINC000826090072 633404176 /nfs/dbraw/zinc/40/41/76/633404176.db2.gz VFKHNIWCEOOTHA-UHFFFAOYSA-N 0 1 280.755 3.194 20 10 CGCDMN COc1cccc(OC)c1CNCc1cccc(C)c1O ZINC000826921333 633443939 /nfs/dbraw/zinc/44/39/39/633443939.db2.gz PBPWJWOZWCIVNI-UHFFFAOYSA-N 0 1 287.359 3.008 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC[C@@H](C)O2)cc1Cl ZINC000827252043 633475392 /nfs/dbraw/zinc/47/53/92/633475392.db2.gz URKULTGOJJRORC-DGCLKSJQSA-N 0 1 283.799 3.401 20 10 CGCDMN Cc1cc(O)c(CN2CCCc3n[nH]cc3C2)c(Cl)c1 ZINC000828008913 633548313 /nfs/dbraw/zinc/54/83/13/633548313.db2.gz GGWSJGHDVYWRES-UHFFFAOYSA-N 0 1 291.782 3.026 20 10 CGCDMN C[C@@H](N[C@@H]1CCn2ccnc21)c1cc2c(cc1O)CCCC2 ZINC000834829999 634250653 /nfs/dbraw/zinc/25/06/53/634250653.db2.gz AWGXOUZUZWGDNE-MLGOLLRUSA-N 0 1 297.402 3.263 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)N[C@H]2CCn3ccnc32)c1O ZINC000834832422 634252071 /nfs/dbraw/zinc/25/20/71/634252071.db2.gz OZBJGSUDKXSBMQ-MFKMUULPSA-N 0 1 291.782 3.346 20 10 CGCDMN CC[C@@H](N[C@H]1CCn2ccnc21)c1ccc(N(C)C)cc1 ZINC000834835286 634252540 /nfs/dbraw/zinc/25/25/40/634252540.db2.gz HDPCXFLVLLIRLU-CVEARBPZSA-N 0 1 284.407 3.135 20 10 CGCDMN CN(C)c1ccc(/C=C\CN2CC[C@H](OC(F)F)C2)cc1 ZINC000835050737 634336058 /nfs/dbraw/zinc/33/60/58/634336058.db2.gz WUCXJVYSTKSPKC-JZIMQPMSSA-N 0 1 296.361 3.079 20 10 CGCDMN Cc1ccoc1CNC/C=C\c1ccc(N(C)C)cc1 ZINC000835052282 634337331 /nfs/dbraw/zinc/33/73/31/634337331.db2.gz DVHDCWINYPISLO-PLNGDYQASA-N 0 1 270.376 3.457 20 10 CGCDMN CCc1nc(CNCc2c(C)cccc2O)cs1 ZINC000877011781 634949879 /nfs/dbraw/zinc/94/98/79/634949879.db2.gz IJQHNXYVXWPZIG-UHFFFAOYSA-N 0 1 262.378 3.009 20 10 CGCDMN COCC[C@H](C)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000840835737 635060705 /nfs/dbraw/zinc/06/07/05/635060705.db2.gz PDZOFLICKUYBID-GVXVVHGQSA-N 0 1 281.371 3.342 20 10 CGCDMN COCC[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000840836248 635060730 /nfs/dbraw/zinc/06/07/30/635060730.db2.gz WLVJGKRULQHRPR-MNOVXSKESA-N 0 1 271.788 3.369 20 10 CGCDMN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840908053 635080301 /nfs/dbraw/zinc/08/03/01/635080301.db2.gz NXYQBDXBNJDUTG-ABAIWWIYSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000840916228 635081588 /nfs/dbraw/zinc/08/15/88/635081588.db2.gz HXUGPPRGWJMQBT-QWHCGFSZSA-N 0 1 295.810 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000840916228 635081592 /nfs/dbraw/zinc/08/15/92/635081592.db2.gz HXUGPPRGWJMQBT-QWHCGFSZSA-N 0 1 295.810 3.212 20 10 CGCDMN CCOC(C)(C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840939751 635087294 /nfs/dbraw/zinc/08/72/94/635087294.db2.gz PWCKTVXTYWJFOX-UHFFFAOYSA-N 0 1 271.788 3.259 20 10 CGCDMN Cc1cc(CN[C@@H](C)Cc2ccc(N(C)C)cc2C)no1 ZINC000840976592 635098976 /nfs/dbraw/zinc/09/89/76/635098976.db2.gz OMLPZSWPTTYGGT-ZDUSSCGKSA-N 0 1 287.407 3.078 20 10 CGCDMN C[C@@H](C[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O)C(=O)[O-] ZINC000840999173 635101770 /nfs/dbraw/zinc/10/17/70/635101770.db2.gz OYWWSLPLZNDEHR-ZDUSSCGKSA-N 0 1 299.370 3.212 20 10 CGCDMN C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841752255 635225851 /nfs/dbraw/zinc/22/58/51/635225851.db2.gz RUYBNEQPWKMEON-CMPLNLGQSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752422 635226857 /nfs/dbraw/zinc/22/68/57/635226857.db2.gz ARJYNYMXCJGCLU-IUPBHXKESA-N 0 1 269.772 3.264 20 10 CGCDMN Cc1ncc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841752514 635227241 /nfs/dbraw/zinc/22/72/41/635227241.db2.gz BCTVSKOJCIJDRD-MRVPVSSYSA-N 0 1 266.728 3.193 20 10 CGCDMN CCOC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753821 635227710 /nfs/dbraw/zinc/22/77/10/635227710.db2.gz WUZXIKZVWKNOLC-VHSXEESVSA-N 0 1 257.761 3.121 20 10 CGCDMN C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841758495 635231040 /nfs/dbraw/zinc/23/10/40/635231040.db2.gz MFQXPUCICQILNR-GVXVVHGQSA-N 0 1 294.826 3.321 20 10 CGCDMN C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc2ccccc2c1[O-] ZINC000841760023 635233359 /nfs/dbraw/zinc/23/33/59/635233359.db2.gz RJMLEGONJOAMOC-NDGTYSDOSA-N 0 1 271.360 3.109 20 10 CGCDMN C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1c([O-])cccc1Cl ZINC000130486153 636463842 /nfs/dbraw/zinc/46/38/42/636463842.db2.gz KOENOYYCSCHJDE-IINYFYTJSA-N 0 1 295.766 3.240 20 10 CGCDMN CC[C@H]([NH2+]C[C@H]1CCN1CC)c1cc(Cl)ccc1[O-] ZINC000883355674 636697122 /nfs/dbraw/zinc/69/71/22/636697122.db2.gz WAEGFWBSSUBDQI-OCCSQVGLSA-N 0 1 282.815 3.181 20 10 CGCDMN CCc1cccc(CN2Cc3ccc(OC)cc3C2)c1O ZINC000848925750 636698175 /nfs/dbraw/zinc/69/81/75/636698175.db2.gz JBMTUXAVBSRLTM-UHFFFAOYSA-N 0 1 283.371 3.479 20 10 CGCDMN CC(C)C[N@@H+](C)Cc1cc(Br)ccc1O ZINC000132528735 636816840 /nfs/dbraw/zinc/81/68/40/636816840.db2.gz GXYXGHUIJNJHEX-UHFFFAOYSA-N 0 1 272.186 3.243 20 10 CGCDMN CC(C)C[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132528735 636816842 /nfs/dbraw/zinc/81/68/42/636816842.db2.gz GXYXGHUIJNJHEX-UHFFFAOYSA-N 0 1 272.186 3.243 20 10 CGCDMN CC(C)C[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132528735 636816848 /nfs/dbraw/zinc/81/68/48/636816848.db2.gz GXYXGHUIJNJHEX-UHFFFAOYSA-N 0 1 272.186 3.243 20 10 CGCDMN CC[N@@H+](CCOC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133261439 636887627 /nfs/dbraw/zinc/88/76/27/636887627.db2.gz GDHAVIZCKHGBHY-UHFFFAOYSA-N 0 1 278.179 3.167 20 10 CGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C1CC1 ZINC000133287716 636890848 /nfs/dbraw/zinc/89/08/48/636890848.db2.gz YLWCDOMEMWGKOM-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C1CC1 ZINC000133287716 636890851 /nfs/dbraw/zinc/89/08/51/636890851.db2.gz YLWCDOMEMWGKOM-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000134915152 637049542 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CC[C@H](C)[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)OC ZINC000394480911 799497030 /nfs/dbraw/zinc/49/70/30/799497030.db2.gz LDTLXFDMECOERQ-IINYFYTJSA-N 0 1 271.788 3.196 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CS1 ZINC000397897074 799523152 /nfs/dbraw/zinc/52/31/52/799523152.db2.gz ROLIAEZVEZQSKX-BDAKNGLRSA-N 0 1 257.786 3.029 20 10 CGCDMN CC[C@@]1(C)COCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000687973286 799742789 /nfs/dbraw/zinc/74/27/89/799742789.db2.gz KYRUXTAQTPSDTK-AWEZNQCLSA-N 0 1 269.772 3.047 20 10 CGCDMN C[C@H](Cc1ccccn1)[NH2+]Cc1c([O-])cccc1Cl ZINC000694063782 799820413 /nfs/dbraw/zinc/82/04/13/799820413.db2.gz JHAKGOXUUWUKGR-LLVKDONJSA-N 0 1 276.767 3.161 20 10 CGCDMN COc1ccc(O)c([C@@H](C)N[C@H](C)c2cscn2)c1 ZINC000700444503 799871890 /nfs/dbraw/zinc/87/18/90/799871890.db2.gz RXXLTCDITVIKSI-NXEZZACHSA-N 0 1 278.377 3.269 20 10 CGCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C1CCC1 ZINC000701045714 799884083 /nfs/dbraw/zinc/88/40/83/799884083.db2.gz UFARNPXFXIZKNI-SECBINFHSA-N 0 1 284.197 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DLLCKFLZBXNGKD-UHFFFAOYSA-N 0 1 263.381 3.172 20 10 CGCDMN CS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC001119508260 802673913 /nfs/dbraw/zinc/67/39/13/802673913.db2.gz YKCDYDKNKBLYKE-RYUDHWBXSA-N 0 1 287.375 3.386 20 10 CGCDMN CC1(C)C[C@@H]([NH2+]Cc2ccc(Cl)cc2[O-])C(C)(C)O1 ZINC001180350237 809996016 /nfs/dbraw/zinc/99/60/16/809996016.db2.gz WVHGLFOYXYLXJD-CYBMUJFWSA-N 0 1 283.799 3.481 20 10 CGCDMN CN(Cc1cncc(Cl)c1)Cc1ccccc1O ZINC001136996598 803669209 /nfs/dbraw/zinc/66/92/09/803669209.db2.gz RBRDCUKMVQTJDZ-UHFFFAOYSA-N 0 1 262.740 3.073 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CCc2ccccc2C1 ZINC001137831851 803778096 /nfs/dbraw/zinc/77/80/96/803778096.db2.gz PYKSACQXJXTJGZ-UHFFFAOYSA-N 0 1 257.308 3.090 20 10 CGCDMN CN1CCCc2cc(CN3CCc4cccnc4C3)ccc21 ZINC001138357003 803900981 /nfs/dbraw/zinc/90/09/81/803900981.db2.gz XVPCLRHATXXZBZ-UHFFFAOYSA-N 0 1 293.414 3.022 20 10 CGCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H](C)CC12CC2 ZINC001139133586 804134502 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Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1C[C@H](C)n2ncnc21 ZINC001333321377 935526126 /nfs/dbraw/zinc/52/61/26/935526126.db2.gz JAMWSPUPUOORIV-VOAKCMCISA-N 0 1 298.390 3.136 20 10 CGCDMN COc1ccc(C[N@H+]2C[C@H](C)CCC[C@@H]2C)c(O)c1OC ZINC001474371035 937855525 /nfs/dbraw/zinc/85/55/25/937855525.db2.gz LGQNEANFCHXZBB-OLZOCXBDSA-N 0 1 293.407 3.420 20 10 CGCDMN C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474421286 937858910 /nfs/dbraw/zinc/85/89/10/937858910.db2.gz CIYHATHWUVJMQH-ZETCQYMHSA-N 0 1 267.678 3.476 20 10 CGCDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C1(C)C ZINC001560635995 938267257 /nfs/dbraw/zinc/26/72/57/938267257.db2.gz SMTVATZTWDCHKP-STQMWFEESA-N 0 1 299.361 3.306 20 10 CGCDMN Oc1c(CN2CCOc3cc(F)ccc32)ccc(F)c1F ZINC001560766523 938274525 /nfs/dbraw/zinc/27/45/25/938274525.db2.gz RGQPDIJMMKXNJZ-UHFFFAOYSA-N 0 1 295.260 3.209 20 10 CGCDMN CCC[N@@H+](CC(=O)[O-])Cc1cc(C)cc(C(C)(C)C)c1O ZINC001595856238 982788475 /nfs/dbraw/zinc/78/84/75/982788475.db2.gz PXKUWUBPEXHXOR-UHFFFAOYSA-N 0 1 293.407 3.295 20 10 CGCDMN CCOCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000036229021 369014447 /nfs/dbraw/zinc/01/44/47/369014447.db2.gz TWTZGANKMAVTTF-GFCCVEGCSA-N 0 1 259.349 3.233 20 10 CGCDMN Oc1ccccc1CN(C/C=C/Cl)C[C@H]1CCCO1 ZINC000135208623 371401594 /nfs/dbraw/zinc/40/15/94/371401594.db2.gz RTOQCLJBZJAQHH-YOIVXCQUSA-N 0 1 281.783 3.126 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCCSC1 ZINC000288486828 371739146 /nfs/dbraw/zinc/73/91/46/371739146.db2.gz QLFXUNOIRYSXTL-JTQLQIEISA-N 0 1 271.813 3.278 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000293662376 372443152 /nfs/dbraw/zinc/44/31/52/372443152.db2.gz PPZLPWJALKIICM-GFCCVEGCSA-N 0 1 295.745 3.075 20 10 CGCDMN CC[C@@H](NCc1snnc1C)c1ccc(N(C)C)cc1 ZINC000293736238 372466648 /nfs/dbraw/zinc/46/66/48/372466648.db2.gz QKURWOVVNWINGX-CQSZACIVSA-N 0 1 290.436 3.153 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000294743602 372669911 /nfs/dbraw/zinc/66/99/11/372669911.db2.gz QYKLCZMCYWCMBN-GXSJLCMTSA-N 0 1 287.762 3.184 20 10 CGCDMN CCn1ccnc1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000296251905 373067646 /nfs/dbraw/zinc/06/76/46/373067646.db2.gz CXIGFLXMZRKTMK-ZDUSSCGKSA-N 0 1 299.418 3.338 20 10 CGCDMN COc1ccc(O)c(CN(C)Cc2cc(Cl)cn2C)c1 ZINC000180709477 374038169 /nfs/dbraw/zinc/03/81/69/374038169.db2.gz YEYTYSCJLALRPD-UHFFFAOYSA-N 0 1 294.782 3.025 20 10 CGCDMN CC[C@H](NCc1ccc(N2CCCC2)cc1)c1nccn1C ZINC000182386086 374267090 /nfs/dbraw/zinc/26/70/90/374267090.db2.gz PUXHNBSYVFVSRD-KRWDZBQOSA-N 0 1 298.434 3.261 20 10 CGCDMN COC[C@@H](NCc1cc(Cl)cc(C)c1O)c1ccco1 ZINC000182531875 374288216 /nfs/dbraw/zinc/28/82/16/374288216.db2.gz TYPMFWAVJFUXIN-CYBMUJFWSA-N 0 1 295.766 3.424 20 10 CGCDMN Cc1ccc2c(c1)nc(CNCc1cc(C)ccc1O)n2C ZINC000187573848 375045003 /nfs/dbraw/zinc/04/50/03/375045003.db2.gz VQENOBHBWSKZDM-UHFFFAOYSA-N 0 1 295.386 3.186 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cc(Cl)ccc1[O-] ZINC000187975131 375129528 /nfs/dbraw/zinc/12/95/28/375129528.db2.gz XAYKYCVHJXGEJR-MISXGVKJSA-N 0 1 283.799 3.247 20 10 CGCDMN CCOc1cccc(C[N@H+]2CCSCC[C@@H]2C)c1O ZINC000191819368 375666141 /nfs/dbraw/zinc/66/61/41/375666141.db2.gz XEUAGCXZMUABDC-LBPRGKRZSA-N 0 1 281.421 3.118 20 10 CGCDMN CCC(CC)(CCO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000266648195 378024873 /nfs/dbraw/zinc/02/48/73/378024873.db2.gz XHOGCXSCIISBJZ-UHFFFAOYSA-N 0 1 285.815 3.324 20 10 CGCDMN C[C@H]1C[C@@H](CC[NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000273051500 378736197 /nfs/dbraw/zinc/73/61/97/378736197.db2.gz KKDDEGLPBKDFCK-RYUDHWBXSA-N 0 1 283.799 3.340 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(CCCO)CC1 ZINC000272833759 378711729 /nfs/dbraw/zinc/71/17/29/378711729.db2.gz GAXWJXLOSOCEGD-UHFFFAOYSA-N 0 1 283.799 3.030 20 10 CGCDMN C[C@]1([NH2+]Cc2cc(Cl)ccc2[O-])CCO[C@@H]1C1CC1 ZINC000371746904 379174287 /nfs/dbraw/zinc/17/42/87/379174287.db2.gz MXWVQHCCBRTHGU-CABCVRRESA-N 0 1 281.783 3.093 20 10 CGCDMN Oc1ccccc1CN1CCC[C@H]1c1nccs1 ZINC000378493173 379832638 /nfs/dbraw/zinc/83/26/38/379832638.db2.gz HZCLRXVAGAAHCC-LBPRGKRZSA-N 0 1 260.362 3.186 20 10 CGCDMN Cc1ccc(O)c(CN2CCC[C@@H]2c2nccs2)c1 ZINC000374299455 392676477 /nfs/dbraw/zinc/67/64/77/392676477.db2.gz BNIGOALIFNZQPB-CYBMUJFWSA-N 0 1 274.389 3.494 20 10 CGCDMN CCOc1ccc(O)c(CN(C)Cc2scnc2C)c1 ZINC000179429269 392700294 /nfs/dbraw/zinc/70/02/94/392700294.db2.gz XVJGOPZSHMURAK-UHFFFAOYSA-N 0 1 292.404 3.188 20 10 CGCDMN Cc1ccc(O)c(CN2CCn3cccc3[C@@H]2C)c1 ZINC000179568242 392704508 /nfs/dbraw/zinc/70/45/08/392704508.db2.gz MZAVVPZUMQHOTP-ZDUSSCGKSA-N 0 1 256.349 3.079 20 10 CGCDMN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])[nH]n1 ZINC000186130654 262080627 /nfs/dbraw/zinc/08/06/27/262080627.db2.gz GTNRFFPTHMLBRC-MWLCHTKSSA-N 0 1 293.798 3.359 20 10 CGCDMN CCc1cnc(CN[C@H](C)c2cc(F)ccc2O)s1 ZINC000185584794 262305785 /nfs/dbraw/zinc/30/57/85/262305785.db2.gz SHCXLNPAZVLWCB-SECBINFHSA-N 0 1 280.368 3.401 20 10 CGCDMN C[C@H]([NH2+]CCC(C)(C)O)c1ccc2ccccc2c1[O-] ZINC000274753702 328008817 /nfs/dbraw/zinc/00/88/17/328008817.db2.gz BJYSDFZFJSCRNY-LBPRGKRZSA-N 0 1 273.376 3.357 20 10 CGCDMN CCn1ncc(CN[C@H](C)c2ccc3ccccc3c2O)n1 ZINC000527924998 330296396 /nfs/dbraw/zinc/29/63/96/330296396.db2.gz SRHJFWNQUZAEKR-GFCCVEGCSA-N 0 1 296.374 3.008 20 10 CGCDMN COc1ccc(O)c([C@H](C)N[C@@H](C)c2ncccc2F)c1 ZINC000528036014 330302683 /nfs/dbraw/zinc/30/26/83/330302683.db2.gz NEZLKHYWMHBWGA-QWRGUYRKSA-N 0 1 290.338 3.347 20 10 CGCDMN C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000230659262 333319721 /nfs/dbraw/zinc/31/97/21/333319721.db2.gz UWYGDNGNMYZJQR-TVQRCGJNSA-N 0 1 299.292 3.119 20 10 CGCDMN C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc2ccccc2c1[O-] ZINC000038088830 525489693 /nfs/dbraw/zinc/48/96/93/525489693.db2.gz NWRPECRHHCYLAD-QWHCGFSZSA-N 0 1 272.392 3.146 20 10 CGCDMN Cc1nnc(CN(Cc2ccccc2O)C2CCCC2)o1 ZINC000732205069 572451509 /nfs/dbraw/zinc/45/15/09/572451509.db2.gz ZADNDXWDYVYAQW-UHFFFAOYSA-N 0 1 287.363 3.028 20 10 CGCDMN CN(CC[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000733324327 572555026 /nfs/dbraw/zinc/55/50/26/572555026.db2.gz PPAHTFALWHWFFD-UHFFFAOYSA-N 0 1 290.794 3.272 20 10 CGCDMN CC1(C)CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000743390302 572656869 /nfs/dbraw/zinc/65/68/69/572656869.db2.gz IKFKWBRYPXWYQD-UHFFFAOYSA-N 0 1 256.349 3.172 20 10 CGCDMN CC1(C)CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000743390302 572656872 /nfs/dbraw/zinc/65/68/72/572656872.db2.gz IKFKWBRYPXWYQD-UHFFFAOYSA-N 0 1 256.349 3.172 20 10 CGCDMN C[C@H]1CCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000828271679 601369912 /nfs/dbraw/zinc/36/99/12/601369912.db2.gz KDLXRWYREDPFDJ-NSHDSACASA-N 0 1 285.343 3.228 20 10 CGCDMN CCn1ccc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000840840417 618246676 /nfs/dbraw/zinc/24/66/76/618246676.db2.gz KCNZOANHHSGRFH-GXFFZTMASA-N 0 1 289.354 3.086 20 10 CGCDMN CCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775634250 619082108 /nfs/dbraw/zinc/08/21/08/619082108.db2.gz QDTAJUSEMBZZKL-LBPRGKRZSA-N 0 1 287.762 3.186 20 10 CGCDMN Oc1ccc2ccccc2c1CN1CCO[C@@H](C(F)F)C1 ZINC000193440322 619129045 /nfs/dbraw/zinc/12/90/45/619129045.db2.gz NIOFZYADDMQHAM-OAHLLOKOSA-N 0 1 293.313 3.011 20 10 CGCDMN C[C@@H]1C[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])[C@H](C)O1 ZINC000840962745 619282467 /nfs/dbraw/zinc/28/24/67/619282467.db2.gz FABRLUXTQBMDIA-WWGRRREGSA-N 0 1 285.387 3.449 20 10 CGCDMN Oc1c(F)cc(F)cc1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000893987435 619347791 /nfs/dbraw/zinc/34/77/91/619347791.db2.gz RDQPCYOQRMFCQU-ZDUSSCGKSA-N 0 1 293.317 3.121 20 10 CGCDMN COc1ccc2ccc([O-])c(C[N@H+](C)CC3CC3)c2c1 ZINC000047252616 619386723 /nfs/dbraw/zinc/38/67/23/619386723.db2.gz BAYFRZOJVWXSOK-UHFFFAOYSA-N 0 1 271.360 3.396 20 10 CGCDMN COc1ccc2ccc([O-])c(C[N@@H+](C)CC3CC3)c2c1 ZINC000047252616 619386726 /nfs/dbraw/zinc/38/67/26/619386726.db2.gz BAYFRZOJVWXSOK-UHFFFAOYSA-N 0 1 271.360 3.396 20 10 CGCDMN CCOC1CC2(C1)CC[N@@H+](Cc1cc(F)cc(F)c1[O-])C2 ZINC000894751882 619623527 /nfs/dbraw/zinc/62/35/27/619623527.db2.gz AYEDJDSFWBNHGI-UHFFFAOYSA-N 0 1 297.345 3.061 20 10 CGCDMN COc1cc(C)cc(CN(Cc2ccccn2)C2CC2)c1O ZINC000894779279 619632715 /nfs/dbraw/zinc/63/27/15/619632715.db2.gz FLWLPUMJCXJTPR-UHFFFAOYSA-N 0 1 298.386 3.269 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000895185680 619773012 /nfs/dbraw/zinc/77/30/12/619773012.db2.gz CCWHWGQSDMWCJO-AWEZNQCLSA-N 0 1 297.345 3.204 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCn2cccc2C1 ZINC000896761196 620057599 /nfs/dbraw/zinc/05/75/99/620057599.db2.gz QBQPOJBGKARJRP-UHFFFAOYSA-N 0 1 280.730 3.002 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)ccc2ccccc21 ZINC000896851155 620076452 /nfs/dbraw/zinc/07/64/52/620076452.db2.gz QPGSCVKCDWCDEH-UAGQMJEPSA-N 0 1 295.382 3.226 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000797904952 620238377 /nfs/dbraw/zinc/23/83/77/620238377.db2.gz SMLTVKXWVVJFMT-OLZOCXBDSA-N 0 1 251.757 3.324 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@H](C)C1 ZINC000799736222 620303891 /nfs/dbraw/zinc/30/38/91/620303891.db2.gz IMHZNPZMNATQNN-ZJUUUORDSA-N 0 1 287.762 3.184 20 10 CGCDMN [O-]c1c(C[NH2+]CC2(C3(O)CCC3)CC2)ccc2ccccc21 ZINC000897527442 620371049 /nfs/dbraw/zinc/37/10/49/620371049.db2.gz MPWHNSKAIALLKZ-UHFFFAOYSA-N 0 1 297.398 3.330 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@@H](O)C(C)C ZINC000841756273 620402654 /nfs/dbraw/zinc/40/26/54/620402654.db2.gz SLFCTSCRXXNXOI-XEGUGMAKSA-N 0 1 285.815 3.492 20 10 CGCDMN CC[C@H](NCc1cc(C2CC2)n(C)n1)c1ccccc1O ZINC000927109636 620577450 /nfs/dbraw/zinc/57/74/50/620577450.db2.gz UPDRRMGYFAZDOV-HNNXBMFYSA-N 0 1 285.391 3.244 20 10 CGCDMN C[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cc(Cl)ccc1[O-] ZINC000903258159 621645538 /nfs/dbraw/zinc/64/55/38/621645538.db2.gz QTYMXSJFIAAYBR-LLVKDONJSA-N 0 1 295.810 3.391 20 10 CGCDMN CC[C@H]1CCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769008077 625555030 /nfs/dbraw/zinc/55/50/30/625555030.db2.gz NIGDDLQBCPTHNY-NSHDSACASA-N 0 1 284.743 3.328 20 10 CGCDMN C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226586466 622985636 /nfs/dbraw/zinc/98/56/36/622985636.db2.gz AQKJSTUCCUUWNZ-VXGBXAGGSA-N 0 1 251.345 3.447 20 10 CGCDMN Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000060942077 623082588 /nfs/dbraw/zinc/08/25/88/623082588.db2.gz SCJJLCZHIOFNBH-UHFFFAOYSA-N 0 1 262.740 3.039 20 10 CGCDMN CC(C)CCOCC[NH2+]Cc1c([O-])cccc1Cl ZINC000083552282 625648219 /nfs/dbraw/zinc/64/82/19/625648219.db2.gz MYGVHRIBGLDXSM-UHFFFAOYSA-N 0 1 271.788 3.198 20 10 CGCDMN Cc1cc(O)c(CN2CCn3cccc3[C@H]2C)cc1C ZINC000179565549 624665656 /nfs/dbraw/zinc/66/56/56/624665656.db2.gz PKHDUZIXKRLQJH-CQSZACIVSA-N 0 1 270.376 3.387 20 10 CGCDMN COCC[N@H+](C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000068960500 624773253 /nfs/dbraw/zinc/77/32/53/624773253.db2.gz LEFCHSDTYSCHIO-UHFFFAOYSA-N 0 1 289.375 3.095 20 10 CGCDMN COCC[N@@H+](C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000068960500 624773264 /nfs/dbraw/zinc/77/32/64/624773264.db2.gz LEFCHSDTYSCHIO-UHFFFAOYSA-N 0 1 289.375 3.095 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc2ccccc2c1[O-] ZINC000019963532 634441477 /nfs/dbraw/zinc/44/14/77/634441477.db2.gz IATSAEKYGZDSDR-OCCSQVGLSA-N 0 1 271.360 3.375 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000923028089 626119796 /nfs/dbraw/zinc/11/97/96/626119796.db2.gz TXDIIKSCVQIXFH-AWEZNQCLSA-N 0 1 281.783 3.237 20 10 CGCDMN CN(Cc1ccc(N(C)C)cc1)Cc1cnc(C2CC2)nc1 ZINC000838780733 626252316 /nfs/dbraw/zinc/25/23/16/626252316.db2.gz BTVKLPSGDBXDRD-UHFFFAOYSA-N 0 1 296.418 3.052 20 10 CGCDMN C[C@@H](NCc1ccc2c(n1)CCC2)c1ccc(N(C)C)cc1 ZINC000839016082 626298826 /nfs/dbraw/zinc/29/88/26/626298826.db2.gz WNTWJYGYFWUFNJ-CQSZACIVSA-N 0 1 295.430 3.487 20 10 CGCDMN C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000756434824 626705510 /nfs/dbraw/zinc/70/55/10/626705510.db2.gz ZWSMAQQXWWIHQP-HZMBPMFUSA-N 0 1 282.815 3.036 20 10 CGCDMN CCN(CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(C)C ZINC000756526164 626711984 /nfs/dbraw/zinc/71/19/84/626711984.db2.gz SRMDXXRQRFNATF-LBPRGKRZSA-N 0 1 284.831 3.427 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]C2CCC(C)(O)CC2)c2c1c(F)ccc2[O-] ZINC000756637139 626723524 /nfs/dbraw/zinc/72/35/24/626723524.db2.gz ZRUXUDLBPBFEBI-IRRSPDAISA-N 0 1 293.382 3.363 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cc(F)cc(F)c1[O-] ZINC000756757910 626729827 /nfs/dbraw/zinc/72/98/27/626729827.db2.gz DQYSFCRZYKIOGM-OQPBUACISA-N 0 1 293.317 3.122 20 10 CGCDMN Cc1cc(CNCc2ccc(N3CCCCC3)cc2)ncn1 ZINC000756991524 626745250 /nfs/dbraw/zinc/74/52/50/626745250.db2.gz UTZMGADXHQPASE-UHFFFAOYSA-N 0 1 296.418 3.065 20 10 CGCDMN C[N@@H+](Cc1ccccn1)Cc1cc(Cl)cc(F)c1[O-] ZINC000757891116 626812711 /nfs/dbraw/zinc/81/27/11/626812711.db2.gz VSOAZRQKQLGAJN-UHFFFAOYSA-N 0 1 280.730 3.212 20 10 CGCDMN CCc1cc(CN2CCOC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000766632848 627349327 /nfs/dbraw/zinc/34/93/27/627349327.db2.gz LVHSCKIXVZJRDY-CYBMUJFWSA-N 0 1 291.435 3.473 20 10 CGCDMN CCN(CC)c1ccc(CN2C[C@H](C)OC[C@H]2C)cc1 ZINC000768537116 627485219 /nfs/dbraw/zinc/48/52/19/627485219.db2.gz MNGXCONBYSOTOP-CABCVRRESA-N 0 1 276.424 3.142 20 10 CGCDMN COc1cccc([O-])c1C[N@H+](C)C(C1CC1)C1CC1 ZINC000769192188 627530294 /nfs/dbraw/zinc/53/02/94/627530294.db2.gz HEDNLZXIGDPGFW-UHFFFAOYSA-N 0 1 261.365 3.021 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000769192188 627530295 /nfs/dbraw/zinc/53/02/95/627530295.db2.gz HEDNLZXIGDPGFW-UHFFFAOYSA-N 0 1 261.365 3.021 20 10 CGCDMN C[C@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769470019 627556244 /nfs/dbraw/zinc/55/62/44/627556244.db2.gz JEESKHLFGZHVEB-IUCAKERBSA-N 0 1 284.743 3.184 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC1 ZINC000769466988 627556529 /nfs/dbraw/zinc/55/65/29/627556529.db2.gz SAVSERBFBGMANN-UHFFFAOYSA-N 0 1 284.743 3.328 20 10 CGCDMN C[C@H]([NH2+][C@H](CO)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000769986022 627595244 /nfs/dbraw/zinc/59/52/44/627595244.db2.gz GIULRFJTTKKONB-TVQRCGJNSA-N 0 1 297.807 3.491 20 10 CGCDMN CCOc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000775363317 628086296 /nfs/dbraw/zinc/08/62/96/628086296.db2.gz MUZRIXDOUQLSFK-AWEZNQCLSA-N 0 1 299.418 3.397 20 10 CGCDMN CC[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000775493510 628100395 /nfs/dbraw/zinc/10/03/95/628100395.db2.gz UNBOBMMURKASSV-GXTWGEPZSA-N 0 1 282.815 3.181 20 10 CGCDMN Cc1noc(C)c1C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775653765 628120339 /nfs/dbraw/zinc/12/03/39/628120339.db2.gz BFFRWRPFEILRLX-UHFFFAOYSA-N 0 1 298.745 3.422 20 10 CGCDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775716368 628128507 /nfs/dbraw/zinc/12/85/07/628128507.db2.gz VGYWPIXSBQIRRC-DTWKUNHWSA-N 0 1 257.736 3.415 20 10 CGCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCCC[C@@H]1C ZINC000775986816 628156038 /nfs/dbraw/zinc/15/60/38/628156038.db2.gz JIROCWBKXFMSLV-QWHCGFSZSA-N 0 1 296.842 3.398 20 10 CGCDMN COc1cc2c(cc1F)CN(Cc1ccccc1O)CC2 ZINC000779115790 628389167 /nfs/dbraw/zinc/38/91/67/628389167.db2.gz IJBAQKYPFQULNA-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN COCC1(C)CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000779606161 628417834 /nfs/dbraw/zinc/41/78/34/628417834.db2.gz NQSWRVQTPJGEMB-UHFFFAOYSA-N 0 1 283.799 3.294 20 10 CGCDMN O=C(Nc1ccc2ncccc2c1)c1c(F)ccc(O)c1O ZINC000789957661 629176470 /nfs/dbraw/zinc/17/64/70/629176470.db2.gz UHYZYNRBRIMXOA-UHFFFAOYSA-N 0 1 298.273 3.037 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000862249859 629331015 /nfs/dbraw/zinc/33/10/15/629331015.db2.gz FKLLCOGSZXVALP-LLVKDONJSA-N 0 1 296.208 3.387 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000862249859 629331019 /nfs/dbraw/zinc/33/10/19/629331019.db2.gz FKLLCOGSZXVALP-LLVKDONJSA-N 0 1 296.208 3.387 20 10 CGCDMN CO[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC[C@@H]1C ZINC000792180386 629345706 /nfs/dbraw/zinc/34/57/06/629345706.db2.gz QZTPCWAXEPSXOM-TVQRCGJNSA-N 0 1 287.762 3.042 20 10 CGCDMN C[C@@H]1C[C@@H](C)[NH+]1Cc1c([O-])cccc1Br ZINC000862351339 629347541 /nfs/dbraw/zinc/34/75/41/629347541.db2.gz NBYGCIFRJVBLBW-RKDXNWHRSA-N 0 1 270.170 3.137 20 10 CGCDMN CCC(O)(CC)C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000862539179 629394408 /nfs/dbraw/zinc/39/44/08/629394408.db2.gz IWGOBUTWWSADRA-UHFFFAOYSA-N 0 1 271.788 3.029 20 10 CGCDMN Cc1ccncc1CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000793339320 629444901 /nfs/dbraw/zinc/44/49/01/629444901.db2.gz ZUYBDABFONBYHG-UHFFFAOYSA-N 0 1 287.382 3.227 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000793621531 629491288 /nfs/dbraw/zinc/49/12/88/629491288.db2.gz XLUANOOLTLSXAK-OAHLLOKOSA-N 0 1 299.773 3.187 20 10 CGCDMN COc1ccc(OC)c(NCc2ccc(F)c(F)c2O)c1 ZINC000864022592 629728948 /nfs/dbraw/zinc/72/89/48/629728948.db2.gz LHSASEBLCIZCDA-UHFFFAOYSA-N 0 1 295.285 3.300 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)ccc(F)c1F ZINC000864050199 629741036 /nfs/dbraw/zinc/74/10/36/629741036.db2.gz YBSOBBNAADOQOT-MNOVXSKESA-N 0 1 285.359 3.140 20 10 CGCDMN CC1=C[C@@H](C)C[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000797604757 629970541 /nfs/dbraw/zinc/97/05/41/629970541.db2.gz IKWAQTXGBNXKHU-SNVBAGLBSA-N 0 1 251.757 3.444 20 10 CGCDMN CC1=CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000797822757 629988294 /nfs/dbraw/zinc/98/82/94/629988294.db2.gz RAICMPMNWKBYEI-UHFFFAOYSA-N 0 1 254.333 3.092 20 10 CGCDMN CC1=CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000797822757 629988297 /nfs/dbraw/zinc/98/82/97/629988297.db2.gz RAICMPMNWKBYEI-UHFFFAOYSA-N 0 1 254.333 3.092 20 10 CGCDMN CC[C@H](CCO)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808702479 630295828 /nfs/dbraw/zinc/29/58/28/630295828.db2.gz XKODKVMKJYZKFP-VXGBXAGGSA-N 0 1 285.815 3.413 20 10 CGCDMN CCCCN(Cc1ccccc1O)[C@H](CC)C(=O)OCC ZINC000801598551 630346746 /nfs/dbraw/zinc/34/67/46/630346746.db2.gz CAJBCBCYASGHGT-OAHLLOKOSA-N 0 1 293.407 3.336 20 10 CGCDMN CC[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807834083 630599681 /nfs/dbraw/zinc/59/96/81/630599681.db2.gz IMUWDRCPPDOJCO-SSDOTTSWSA-N 0 1 276.163 3.361 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)CCO)c1[O-] ZINC000808698411 630666611 /nfs/dbraw/zinc/66/66/11/630666611.db2.gz OVTCDBVKWBWUTH-ONGXEEELSA-N 0 1 271.788 3.023 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CO)CCC2)c1[O-] ZINC000808713812 630669556 /nfs/dbraw/zinc/66/95/56/630669556.db2.gz KMXVZXQZKQYIFS-LLVKDONJSA-N 0 1 283.799 3.167 20 10 CGCDMN COc1ccc(O)c(CN2CCOc3ccc(C)cc3C2)c1 ZINC000809704239 630787466 /nfs/dbraw/zinc/78/74/66/630787466.db2.gz WXTULIHHZADUJC-UHFFFAOYSA-N 0 1 299.370 3.104 20 10 CGCDMN C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000809757154 630801053 /nfs/dbraw/zinc/80/10/53/630801053.db2.gz KCADRPPMVIKUOR-OAHLLOKOSA-N 0 1 283.799 3.173 20 10 CGCDMN C[C@]1(CCCO)CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000809757154 630801054 /nfs/dbraw/zinc/80/10/54/630801054.db2.gz KCADRPPMVIKUOR-OAHLLOKOSA-N 0 1 283.799 3.173 20 10 CGCDMN CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000810253707 630860336 /nfs/dbraw/zinc/86/03/36/630860336.db2.gz AZXFUFFQUGYMGE-VXGBXAGGSA-N 0 1 284.831 3.425 20 10 CGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])[C@H]1CCSC1 ZINC000816485468 631989952 /nfs/dbraw/zinc/98/99/52/631989952.db2.gz NZVWHLZPNTUPAW-AWEZNQCLSA-N 0 1 273.401 3.483 20 10 CGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])[C@H]1CCSC1 ZINC000816485468 631989960 /nfs/dbraw/zinc/98/99/60/631989960.db2.gz NZVWHLZPNTUPAW-AWEZNQCLSA-N 0 1 273.401 3.483 20 10 CGCDMN COCCC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816497414 631994204 /nfs/dbraw/zinc/99/42/04/631994204.db2.gz ANWKOOGOXZSBDT-UHFFFAOYSA-N 0 1 259.349 3.014 20 10 CGCDMN COCCC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816497414 631994210 /nfs/dbraw/zinc/99/42/10/631994210.db2.gz ANWKOOGOXZSBDT-UHFFFAOYSA-N 0 1 259.349 3.014 20 10 CGCDMN C[C@@H](O)C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816501509 631995759 /nfs/dbraw/zinc/99/57/59/631995759.db2.gz PACZBGNATQBURU-CYBMUJFWSA-N 0 1 285.387 3.138 20 10 CGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])CC1(O)CCCC1 ZINC000816513347 632000938 /nfs/dbraw/zinc/00/09/38/632000938.db2.gz NVVCULTZGVAHJV-UHFFFAOYSA-N 0 1 285.387 3.282 20 10 CGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])CC1(O)CCCC1 ZINC000816513347 632000946 /nfs/dbraw/zinc/00/09/46/632000946.db2.gz NVVCULTZGVAHJV-UHFFFAOYSA-N 0 1 285.387 3.282 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000816516746 632002110 /nfs/dbraw/zinc/00/21/10/632002110.db2.gz ORFQMTARLAOKPU-SNVBAGLBSA-N 0 1 269.747 3.417 20 10 CGCDMN Cc1ccc([C@@H](O)C[NH2+]Cc2ccc3ccccc3c2[O-])o1 ZINC000816553552 632010423 /nfs/dbraw/zinc/01/04/23/632010423.db2.gz ZGHKXIMHHHXDOX-INIZCTEOSA-N 0 1 297.354 3.270 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN[C@H]1CCCC1(F)F ZINC000816612572 632023465 /nfs/dbraw/zinc/02/34/65/632023465.db2.gz SLWKLMZYCFEQBX-NSHDSACASA-N 0 1 279.689 3.462 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](C)N)c1ccc(Cl)c(Cl)c1[O-] ZINC000817973761 632266490 /nfs/dbraw/zinc/26/64/90/632266490.db2.gz WBXMGOZHCRFRQE-XCBNKYQSSA-N 0 1 277.195 3.087 20 10 CGCDMN CC[C@@H]([NH2+][C@H]1CCCCNC1)c1cccc(Cl)c1[O-] ZINC000817984716 632274847 /nfs/dbraw/zinc/27/48/47/632274847.db2.gz XRWZIAZAAPFUGR-SMDDNHRTSA-N 0 1 282.815 3.228 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(Br)cc1[O-] ZINC000818356252 632313521 /nfs/dbraw/zinc/31/35/21/632313521.db2.gz MDLZEOHILQZMNO-PELKAZGASA-N 0 1 282.181 3.358 20 10 CGCDMN Cc1cccc(CNCc2ccc3c(c2)CCO3)c1F ZINC000823753621 633149276 /nfs/dbraw/zinc/14/92/76/633149276.db2.gz YMDNHLJQBRMQRH-UHFFFAOYSA-N 0 1 271.335 3.359 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(Cl)cc1[O-] ZINC000866633142 633222770 /nfs/dbraw/zinc/22/27/70/633222770.db2.gz FZXMMVOURNXIOH-GXFFZTMASA-N 0 1 291.782 3.428 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H]2CCCCO2)cc1Cl ZINC000824610436 633264219 /nfs/dbraw/zinc/26/42/19/633264219.db2.gz MNELBTCLFUYANG-ZDUSSCGKSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCCCO2)cc1Cl ZINC000824610436 633264222 /nfs/dbraw/zinc/26/42/22/633264222.db2.gz MNELBTCLFUYANG-ZDUSSCGKSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H](CO)C(C)(C)C)cc1Cl ZINC000824905784 633303901 /nfs/dbraw/zinc/30/39/01/633303901.db2.gz CXWBHFKQXXFLDJ-AWEZNQCLSA-N 0 1 285.815 3.193 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1Cl ZINC000824905784 633303907 /nfs/dbraw/zinc/30/39/07/633303907.db2.gz CXWBHFKQXXFLDJ-AWEZNQCLSA-N 0 1 285.815 3.193 20 10 CGCDMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000825005358 633316399 /nfs/dbraw/zinc/31/63/99/633316399.db2.gz IITDEZSETVRGDK-NWDGAFQWSA-N 0 1 289.379 3.029 20 10 CGCDMN Cc1cc(O)c(CN[C@H]2C[C@@H](C)n3ccnc32)cc1C ZINC000825017395 633318369 /nfs/dbraw/zinc/31/83/69/633318369.db2.gz QDKFIGUZGROIOY-OCCSQVGLSA-N 0 1 271.364 3.001 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1Cl ZINC000825304005 633343143 /nfs/dbraw/zinc/34/31/43/633343143.db2.gz PJCIWKHEFALPEK-DFBGVHRSSA-N 0 1 295.810 3.257 20 10 CGCDMN CC[C@@H](COC)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000825297774 633343226 /nfs/dbraw/zinc/34/32/26/633343226.db2.gz MZTXQYPRAQFWPV-AWEZNQCLSA-N 0 1 259.349 3.060 20 10 CGCDMN CC1(C)C[N@H+](Cc2ccc3ccccc3c2[O-])[C@@H]2COC[C@@H]21 ZINC000825332501 633346966 /nfs/dbraw/zinc/34/69/66/633346966.db2.gz ZAWRSFYTICFQFL-DLBZAZTESA-N 0 1 297.398 3.402 20 10 CGCDMN CC1(C)C[N@@H+](Cc2ccc3ccccc3c2[O-])[C@@H]2COC[C@@H]21 ZINC000825332501 633346969 /nfs/dbraw/zinc/34/69/69/633346969.db2.gz ZAWRSFYTICFQFL-DLBZAZTESA-N 0 1 297.398 3.402 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1Cl ZINC000825634933 633369037 /nfs/dbraw/zinc/36/90/37/633369037.db2.gz SHNBWNQZNGFKRA-JOCQHMNTSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1Cl ZINC000825634933 633369041 /nfs/dbraw/zinc/36/90/41/633369041.db2.gz SHNBWNQZNGFKRA-JOCQHMNTSA-N 0 1 283.799 3.089 20 10 CGCDMN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826100846 633405026 /nfs/dbraw/zinc/40/50/26/633405026.db2.gz VMZSMFJJTCZQGF-UKRRQHHQSA-N 0 1 283.799 3.401 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cc1Cl ZINC000826122084 633406030 /nfs/dbraw/zinc/40/60/30/633406030.db2.gz XNRLGEIWZIGORI-TUAOUCFPSA-N 0 1 283.799 3.257 20 10 CGCDMN Cc1ccncc1CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826921638 633443797 /nfs/dbraw/zinc/44/37/97/633443797.db2.gz RZNDIHHMSDTGDL-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN Oc1ccccc1CN(Cc1cnns1)C1CCCC1 ZINC000827813200 633521304 /nfs/dbraw/zinc/52/13/04/633521304.db2.gz NZVGZLZOGXXVQN-UHFFFAOYSA-N 0 1 289.404 3.189 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846118745 636147716 /nfs/dbraw/zinc/14/77/16/636147716.db2.gz YUDCYWRNWJQBLO-LBPRGKRZSA-N 0 1 291.700 3.416 20 10 CGCDMN CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000846183318 636154553 /nfs/dbraw/zinc/15/45/53/636154553.db2.gz HJANHTOCVPKTDH-WDMOLILDSA-N 0 1 285.815 3.493 20 10 CGCDMN Cc1nccnc1[C@@H](C)N[C@H](C)c1cc(F)ccc1O ZINC000872134078 634057199 /nfs/dbraw/zinc/05/71/99/634057199.db2.gz RAPZDGLKTUTKGH-MWLCHTKSSA-N 0 1 275.327 3.042 20 10 CGCDMN Oc1cccc2c1[C@H](NCc1ccn(C3CCCC3)n1)CC2 ZINC000834685091 634220104 /nfs/dbraw/zinc/22/01/04/634220104.db2.gz HKZFGTRFVYSEDQ-MRXNPFEDSA-N 0 1 297.402 3.481 20 10 CGCDMN Cc1cc(C)c([C@@H](C)N[C@@H]2CCn3ccnc32)c(O)c1 ZINC000834831067 634251232 /nfs/dbraw/zinc/25/12/32/634251232.db2.gz HUUJFJXHQDXVQC-CHWSQXEVSA-N 0 1 271.364 3.001 20 10 CGCDMN Cc1nccnc1[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000873187225 634276479 /nfs/dbraw/zinc/27/64/79/634276479.db2.gz OFCPFHMQUIFTBO-GEXIGZQTSA-N 0 1 296.418 3.215 20 10 CGCDMN CCc1ncc(CN[C@@H](C)c2ccc(C)cc2O)o1 ZINC000834900986 634277984 /nfs/dbraw/zinc/27/79/84/634277984.db2.gz VKQYMPGUUZBIRG-NSHDSACASA-N 0 1 260.337 3.102 20 10 CGCDMN CN(C)c1ccc(/C=C\CN(C)Cc2cccnc2)cc1 ZINC000835044529 634331316 /nfs/dbraw/zinc/33/13/16/634331316.db2.gz LKKRXNXWZDSLRN-ALCCZGGFSA-N 0 1 281.403 3.293 20 10 CGCDMN Cc1cccc(O)c1CNCc1cc(C(C)C)no1 ZINC000877030402 634956048 /nfs/dbraw/zinc/95/60/48/634956048.db2.gz CTWVLTIZLPLYGN-UHFFFAOYSA-N 0 1 260.337 3.102 20 10 CGCDMN CC[C@H](C)c1nnc([C@@H](C)NCc2ccc(C)cc2O)[nH]1 ZINC000877475545 635050585 /nfs/dbraw/zinc/05/05/85/635050585.db2.gz SKQUGYPYIVIQFV-NWDGAFQWSA-N 0 1 288.395 3.183 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)C[C@@H](C)O)c(Cl)c1 ZINC000840898888 635078112 /nfs/dbraw/zinc/07/81/12/635078112.db2.gz GZVBQGLWXVDCNZ-LLVKDONJSA-N 0 1 285.815 3.241 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(C)CCCO2)c(Cl)c1 ZINC000840906247 635078841 /nfs/dbraw/zinc/07/88/41/635078841.db2.gz WSVDOIYNLUUYJW-AWEZNQCLSA-N 0 1 269.772 3.013 20 10 CGCDMN CC1(C)C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000877540317 635079427 /nfs/dbraw/zinc/07/94/27/635079427.db2.gz WFBSDNACPPXSJZ-WFASDCNBSA-N 0 1 297.345 3.060 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C[C@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000840910543 635080179 /nfs/dbraw/zinc/08/01/79/635080179.db2.gz OYFBJJKGGZBREC-GFCCVEGCSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C[C@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000840910543 635080182 /nfs/dbraw/zinc/08/01/82/635080182.db2.gz OYFBJJKGGZBREC-GFCCVEGCSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCCOC(C)(C)C2)c(Cl)c1 ZINC000840918257 635082926 /nfs/dbraw/zinc/08/29/26/635082926.db2.gz QTVYGSJHZSQYNY-UHFFFAOYSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCCOC(C)(C)C2)c(Cl)c1 ZINC000840918257 635082931 /nfs/dbraw/zinc/08/29/31/635082931.db2.gz QTVYGSJHZSQYNY-UHFFFAOYSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc(N(C)C)ccc1CNCc1ccc(Cl)cn1 ZINC000840938052 635085949 /nfs/dbraw/zinc/08/59/49/635085949.db2.gz ZCDLXPFZPOREJH-UHFFFAOYSA-N 0 1 289.810 3.399 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCSC2)c(Cl)c1 ZINC000840940767 635086748 /nfs/dbraw/zinc/08/67/48/635086748.db2.gz KWOXMDYRGMETRR-SNVBAGLBSA-N 0 1 271.813 3.197 20 10 CGCDMN CC[C@@]1(O)CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000877691158 635148004 /nfs/dbraw/zinc/14/80/04/635148004.db2.gz JSWUJOLVXVYIGY-GOSISDBHSA-N 0 1 285.387 3.282 20 10 CGCDMN CC[C@@]1(O)CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877691158 635148005 /nfs/dbraw/zinc/14/80/05/635148005.db2.gz JSWUJOLVXVYIGY-GOSISDBHSA-N 0 1 285.387 3.282 20 10 CGCDMN CC[C@@]1(O)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877691158 635148006 /nfs/dbraw/zinc/14/80/06/635148006.db2.gz JSWUJOLVXVYIGY-GOSISDBHSA-N 0 1 285.387 3.282 20 10 CGCDMN C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(Cl)cc1[O-] ZINC000841748494 635224065 /nfs/dbraw/zinc/22/40/65/635224065.db2.gz ACPPLYCTZQVLMN-LKFCYVNXSA-N 0 1 297.807 3.491 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(Cl)cc1[O-] ZINC000841755570 635230158 /nfs/dbraw/zinc/23/01/58/635230158.db2.gz JIDPILAEEBZZIY-TVQRCGJNSA-N 0 1 269.772 3.264 20 10 CGCDMN CCCN(Cc1nocc1C)Cc1ccccc1O ZINC000878150907 635379930 /nfs/dbraw/zinc/37/99/30/635379930.db2.gz KKUPGJJOYYZTCV-UHFFFAOYSA-N 0 1 260.337 3.101 20 10 CGCDMN CC[C@H](C)C[C@H](NCc1cccc(Cl)c1O)C(=O)OC ZINC000843415255 635661464 /nfs/dbraw/zinc/66/14/64/635661464.db2.gz HLCPQFCNECWLEZ-GWCFXTLKSA-N 0 1 299.798 3.113 20 10 CGCDMN CC1(CC(F)F)CN(Cc2cc(F)ccc2O)C1 ZINC000843424836 635670043 /nfs/dbraw/zinc/67/00/43/635670043.db2.gz MJFMLSHIFYTFIN-UHFFFAOYSA-N 0 1 259.271 3.008 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)ccc2O)CC2(CCC2)O1 ZINC000843435129 635675690 /nfs/dbraw/zinc/67/56/90/635675690.db2.gz IGCSEKIWBXSQLN-LLVKDONJSA-N 0 1 281.783 3.189 20 10 CGCDMN CC[N@H+](CCSC)Cc1c([O-])cccc1Cl ZINC000843437669 635675953 /nfs/dbraw/zinc/67/59/53/635675953.db2.gz UHNZJUWBCAOXQM-UHFFFAOYSA-N 0 1 259.802 3.231 20 10 CGCDMN CC[N@@H+](CCSC)Cc1c([O-])cccc1Cl ZINC000843437669 635675956 /nfs/dbraw/zinc/67/59/56/635675956.db2.gz UHNZJUWBCAOXQM-UHFFFAOYSA-N 0 1 259.802 3.231 20 10 CGCDMN COc1cccc([C@H](C)NCc2nc(C)cs2)c1O ZINC000846138771 636148875 /nfs/dbraw/zinc/14/88/75/636148875.db2.gz NVCCUBZZIYWPPB-JTQLQIEISA-N 0 1 278.377 3.017 20 10 CGCDMN CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000848567662 636610501 /nfs/dbraw/zinc/61/05/01/636610501.db2.gz ZFTRUXRFOVQTNP-XYPYZODXSA-N 0 1 283.799 3.481 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCCO1 ZINC000132596674 636822814 /nfs/dbraw/zinc/82/28/14/636822814.db2.gz IOBYCZKIJJHYPH-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCCO1 ZINC000132596674 636822821 /nfs/dbraw/zinc/82/28/21/636822821.db2.gz IOBYCZKIJJHYPH-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCN2C(C)(C)C)c(Cl)c1 ZINC000850344022 637021493 /nfs/dbraw/zinc/02/14/93/637021493.db2.gz VFBWAWZRXMKUKD-GFCCVEGCSA-N 0 1 296.842 3.316 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850372103 637034716 /nfs/dbraw/zinc/03/47/16/637034716.db2.gz PXNFHIHSEURHLK-GDBMZVCRSA-N 0 1 289.762 3.314 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc(Br)ccc1[O-] ZINC000134915089 637049437 /nfs/dbraw/zinc/04/94/37/637049437.db2.gz OUWLHIHNLFHBQE-KXUCPTDWSA-N 0 1 284.197 3.461 20 10 CGCDMN Cc1cnc([C@H](C)NCc2cc(C)ccc2O)s1 ZINC000134912146 637049965 /nfs/dbraw/zinc/04/99/65/637049965.db2.gz ZDSYDXJREGJSMO-NSHDSACASA-N 0 1 262.378 3.316 20 10 CGCDMN CC(C)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134901906 637050295 /nfs/dbraw/zinc/05/02/95/637050295.db2.gz BLZNBQUHMWKBFQ-SECBINFHSA-N 0 1 272.186 3.461 20 10 CGCDMN C[C@@H]([NH2+]CCCF)c1cc(Br)ccc1[O-] ZINC000134935554 637053157 /nfs/dbraw/zinc/05/31/57/637053157.db2.gz DOCQSTRWDQJEAN-MRVPVSSYSA-N 0 1 276.149 3.165 20 10 CGCDMN C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(Cl)cc1[O-] ZINC000850524413 637103365 /nfs/dbraw/zinc/10/33/65/637103365.db2.gz YDXFQCRRKFKGTM-CMPLNLGQSA-N 0 1 281.783 3.408 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC2(C)C)c2c1c(F)ccc2[O-] ZINC000850571199 637128617 /nfs/dbraw/zinc/12/86/17/637128617.db2.gz OODCZPLIZNVHJV-WZRBSPASSA-N 0 1 293.382 3.484 20 10 CGCDMN C[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1nccn1C ZINC000850573082 637129973 /nfs/dbraw/zinc/12/99/73/637129973.db2.gz UDPBIOXJEXUZQB-CHWSQXEVSA-N 0 1 299.418 3.416 20 10 CGCDMN CCCCN(Cc1cc(OC)no1)Cc1ccccc1O ZINC000852018217 637574034 /nfs/dbraw/zinc/57/40/34/637574034.db2.gz KWCAFGDMUUYEFC-UHFFFAOYSA-N 0 1 290.363 3.191 20 10 CGCDMN Cc1cc(C)c(O)c(CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1 ZINC000853630092 637876952 /nfs/dbraw/zinc/87/69/52/637876952.db2.gz NJVFMHBQHZFDAY-MLGOLLRUSA-N 0 1 299.361 3.254 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000858176874 638649356 /nfs/dbraw/zinc/64/93/56/638649356.db2.gz CRJNJSGYHMTXGF-NRUUGDAUSA-N 0 1 296.208 3.433 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[NH+](C2CC2)C2CC2)c1[O-] ZINC000859623944 639176408 /nfs/dbraw/zinc/17/64/08/639176408.db2.gz VYZGPDUXMYILQZ-UHFFFAOYSA-N 0 1 279.767 3.375 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1(O)CCCCCC1 ZINC000079619412 640418659 /nfs/dbraw/zinc/41/86/59/640418659.db2.gz LCBLDEYFOGDKNF-UHFFFAOYSA-N 0 1 283.799 3.221 20 10 CGCDMN COc1cc2nc(-c3ccc(N(C)C)cc3)[nH]c2cc1F ZINC001250468971 805636639 /nfs/dbraw/zinc/63/66/39/805636639.db2.gz WSKWCDBYIROLKB-UHFFFAOYSA-N 0 1 285.322 3.444 20 10 CGCDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000161296742 799079250 /nfs/dbraw/zinc/07/92/50/799079250.db2.gz RMSZWHDIHKMYFU-VHSXEESVSA-N 0 1 284.197 3.385 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)[C@H](C)C1 ZINC000305919984 799213241 /nfs/dbraw/zinc/21/32/41/799213241.db2.gz GWLMSQZFKRWJNH-MNOVXSKESA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)[C@H](C)C1 ZINC000305919984 799213247 /nfs/dbraw/zinc/21/32/47/799213247.db2.gz GWLMSQZFKRWJNH-MNOVXSKESA-N 0 1 269.772 3.045 20 10 CGCDMN Cc1csc([C@@H](C)N[C@@H]2CCc3cccc(O)c32)n1 ZINC000389192476 799461042 /nfs/dbraw/zinc/46/10/42/799461042.db2.gz ORTLNUSFXHIZPX-ZYHUDNBSSA-N 0 1 274.389 3.495 20 10 CGCDMN CC[C@H](C)[C@H](C[NH2+]Cc1c([O-])cccc1Cl)OC ZINC000394480908 799496798 /nfs/dbraw/zinc/49/67/98/799496798.db2.gz LDTLXFDMECOERQ-HZMBPMFUSA-N 0 1 271.788 3.196 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H](CC)CO1 ZINC000403891382 799572048 /nfs/dbraw/zinc/57/20/48/799572048.db2.gz WZFOLKDVBCXFAO-QWHCGFSZSA-N 0 1 283.799 3.435 20 10 CGCDMN Oc1c(Br)cccc1CN1CCC[C@H](F)C1 ZINC000689881720 799769776 /nfs/dbraw/zinc/76/97/76/799769776.db2.gz BFSLRDXQGSGAOF-JTQLQIEISA-N 0 1 288.160 3.089 20 10 CGCDMN CO[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000692951354 799804813 /nfs/dbraw/zinc/80/48/13/799804813.db2.gz KCKOWMPASGTFAY-OAHLLOKOSA-N 0 1 283.799 3.340 20 10 CGCDMN C[C@H](Cc1ccccn1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000694063433 799820086 /nfs/dbraw/zinc/82/00/86/799820086.db2.gz HDKJCMIFDGQRFE-LLVKDONJSA-N 0 1 276.767 3.161 20 10 CGCDMN CC(C)OC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000695088494 799825288 /nfs/dbraw/zinc/82/52/88/799825288.db2.gz BLHAXYZJECLXIE-UHFFFAOYSA-N 0 1 283.799 3.435 20 10 CGCDMN C[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])CC(F)F ZINC000697720261 799848842 /nfs/dbraw/zinc/84/88/42/799848842.db2.gz UIBNRNPLOXBLSO-QMMMGPOBSA-N 0 1 263.715 3.427 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCSC1 ZINC000704773419 799939719 /nfs/dbraw/zinc/93/97/19/799939719.db2.gz CFHOLAORCZYWLM-SNVBAGLBSA-N 0 1 271.813 3.278 20 10 CGCDMN CC[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707136572 799972917 /nfs/dbraw/zinc/97/29/17/799972917.db2.gz SRRJORKLEGOJCC-SNVBAGLBSA-N 0 1 284.197 3.387 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707136572 799972921 /nfs/dbraw/zinc/97/29/21/799972921.db2.gz SRRJORKLEGOJCC-SNVBAGLBSA-N 0 1 284.197 3.387 20 10 CGCDMN CCCC[N@H+](C)Cc1c([O-])cccc1Br ZINC000707130168 799974023 /nfs/dbraw/zinc/97/40/23/799974023.db2.gz ZOOXYRBRDNJJPU-UHFFFAOYSA-N 0 1 272.186 3.387 20 10 CGCDMN CCCC[N@@H+](C)Cc1c([O-])cccc1Br ZINC000707130168 799974024 /nfs/dbraw/zinc/97/40/24/799974024.db2.gz ZOOXYRBRDNJJPU-UHFFFAOYSA-N 0 1 272.186 3.387 20 10 CGCDMN c1ccc([C@@H](NCc2ccc3c(c2)CCO3)C2CC2)nc1 ZINC000922586015 800619053 /nfs/dbraw/zinc/61/90/53/800619053.db2.gz JHFBLKFEIDXKBH-SFHVURJKSA-N 0 1 280.371 3.257 20 10 CGCDMN COc1cccc(F)c1CN[C@H]1CCc2cccc(O)c21 ZINC001120261206 802737382 /nfs/dbraw/zinc/73/73/82/802737382.db2.gz ZYXMAZKYHCTNKU-AWEZNQCLSA-N 0 1 287.334 3.317 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001137832686 803776975 /nfs/dbraw/zinc/77/69/75/803776975.db2.gz DIWNPWIVJPBXHM-GFCCVEGCSA-N 0 1 295.251 3.255 20 10 CGCDMN COc1ccc(CC[N@@H+](C)Cc2c([O-])cccc2F)cc1 ZINC001137838798 803780784 /nfs/dbraw/zinc/78/07/84/803780784.db2.gz KTABQCGRGUOWEP-UHFFFAOYSA-N 0 1 289.350 3.214 20 10 CGCDMN c1cc(N2CCCCC2)ccc1CN1CC2(CSC2)C1 ZINC001138222162 803874336 /nfs/dbraw/zinc/87/43/36/803874336.db2.gz JIGYCADPEDCXHO-UHFFFAOYSA-N 0 1 288.460 3.226 20 10 CGCDMN Cc1c(CN2CCC(=O)[C@H](C)CC2)c2ccccc2n1C ZINC001138252604 803879630 /nfs/dbraw/zinc/87/96/30/803879630.db2.gz NDEWYLBSEUOZSO-CYBMUJFWSA-N 0 1 284.403 3.288 20 10 CGCDMN CC[C@@H]1COCCN1Cc1c(C)n(C)c2ccccc21 ZINC001138258733 803883496 /nfs/dbraw/zinc/88/34/96/803883496.db2.gz ZUTQSVLTHAXJBE-CQSZACIVSA-N 0 1 272.392 3.098 20 10 CGCDMN Cc1cc(CN2CC[C@@](C)(F)[C@H](F)C2)ccc1N(C)C ZINC001139669616 804246779 /nfs/dbraw/zinc/24/67/79/804246779.db2.gz DLUNKFJSEUKREA-HZPDHXFCSA-N 0 1 282.378 3.333 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001139684094 804252038 /nfs/dbraw/zinc/25/20/38/804252038.db2.gz QNZLIRJRFVLECY-IINYFYTJSA-N 0 1 267.319 3.435 20 10 CGCDMN C[N@@H+](Cc1c([O-])cccc1Br)CC1CCC1 ZINC001140100976 804377351 /nfs/dbraw/zinc/37/73/51/804377351.db2.gz GMFFXJKZPBDGNR-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN C[N@H+](Cc1c([O-])cccc1Br)CC1CCC1 ZINC001140100976 804377360 /nfs/dbraw/zinc/37/73/60/804377360.db2.gz GMFFXJKZPBDGNR-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001140583489 804466121 /nfs/dbraw/zinc/46/61/21/804466121.db2.gz IWBIRWKFDWNNBF-IINYFYTJSA-N 0 1 267.319 3.435 20 10 CGCDMN C[N@@H+](Cc1cccc(F)c1)Cc1c([O-])cc(F)cc1F ZINC001140582768 804466319 /nfs/dbraw/zinc/46/63/19/804466319.db2.gz MLKLSTUWAHJSJJ-UHFFFAOYSA-N 0 1 281.277 3.442 20 10 CGCDMN CC(=O)c1ccc2c(c1)CN(Cc1cc(C)ccc1O)CC2 ZINC001140623812 804477767 /nfs/dbraw/zinc/47/77/67/804477767.db2.gz SLZPFHKMKUBFPD-UHFFFAOYSA-N 0 1 295.382 3.462 20 10 CGCDMN Cc1c(O)ccc(C[N@@H+](C)Cc2ccc(F)cc2F)c1O ZINC001140748160 804504483 /nfs/dbraw/zinc/50/44/83/804504483.db2.gz SNIWFNDMAUXWHO-UHFFFAOYSA-N 0 1 293.313 3.316 20 10 CGCDMN Cc1c(O)ccc(CN(C)Cc2ccc(F)cc2F)c1O 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Cc1ncc(CN(C)Cc2ccc(C(C)(C)C)cc2O)cn1 ZINC001235680114 819140357 /nfs/dbraw/zinc/14/03/57/819140357.db2.gz SLYJWLOXTSAFRU-UHFFFAOYSA-N 0 1 299.418 3.420 20 10 CGCDMN [O-]c1cccc(F)c1CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236650763 819562210 /nfs/dbraw/zinc/56/22/10/819562210.db2.gz FDLYDRGVFYHQGY-AWEZNQCLSA-N 0 1 292.398 3.028 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC3(CC3)C2)c1 ZINC001236663340 819565786 /nfs/dbraw/zinc/56/57/86/819565786.db2.gz LZVXSQLAMDNLKT-UHFFFAOYSA-N 0 1 296.208 3.449 20 10 CGCDMN COC[C@@H]1CCCC[N@@H+]1Cc1c([O-])cc(OC)cc1Cl ZINC001236800468 819600409 /nfs/dbraw/zinc/60/04/09/819600409.db2.gz ZIWKTVBUHQHABI-NSHDSACASA-N 0 1 299.798 3.055 20 10 CGCDMN COC[C@@H]1CCCC[N@H+]1Cc1c([O-])cc(OC)cc1Cl ZINC001236800468 819600414 /nfs/dbraw/zinc/60/04/14/819600414.db2.gz ZIWKTVBUHQHABI-NSHDSACASA-N 0 1 299.798 3.055 20 10 CGCDMN C[C@H]1C[N@H+](Cc2cc3ccccc3cc2[O-])CCCC1=O ZINC001236826855 819610717 /nfs/dbraw/zinc/61/07/17/819610717.db2.gz OONMXNZRTWOWCI-ZDUSSCGKSA-N 0 1 283.371 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/nfs/dbraw/zinc/23/36/68/822233668.db2.gz UNPGDUGFTYQSKZ-UHFFFAOYSA-N 0 1 289.342 3.427 20 10 CGCDMN Cc1ccc(C)n1-c1ccc(-c2ccc3nn[nH]c3c2)cn1 ZINC001241940975 822233676 /nfs/dbraw/zinc/23/36/76/822233676.db2.gz UNPGDUGFTYQSKZ-UHFFFAOYSA-N 0 1 289.342 3.427 20 10 CGCDMN CN(C)c1ccccc1-c1nccc2c1ccn2C ZINC001242172259 822902011 /nfs/dbraw/zinc/90/20/11/822902011.db2.gz GKSSMLBPQDWFIM-UHFFFAOYSA-N 0 1 251.333 3.306 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001346029712 936835300 /nfs/dbraw/zinc/83/53/00/936835300.db2.gz QWCHESDNEVDSJN-VXGBXAGGSA-N 0 1 257.736 3.416 20 10 CGCDMN CO[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001347393983 936882434 /nfs/dbraw/zinc/88/24/34/936882434.db2.gz FWFZQYCHWXABOM-VXGBXAGGSA-N 0 1 269.772 3.011 20 10 CGCDMN Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC001308711674 933163303 /nfs/dbraw/zinc/16/33/03/933163303.db2.gz VFEXCSJTUSACLV-OAHLLOKOSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC001308711674 933163305 /nfs/dbraw/zinc/16/33/05/933163305.db2.gz VFEXCSJTUSACLV-OAHLLOKOSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC001308711674 933163309 /nfs/dbraw/zinc/16/33/09/933163309.db2.gz VFEXCSJTUSACLV-OAHLLOKOSA-N 0 1 295.810 3.437 20 10 CGCDMN CO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCC2 ZINC001308763948 933172647 /nfs/dbraw/zinc/17/26/47/933172647.db2.gz CIPFROYXBWVTJN-LSDHHAIUSA-N 0 1 297.345 3.060 20 10 CGCDMN C[C@H]1CC(C)(C)C[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001308821948 933184081 /nfs/dbraw/zinc/18/40/81/933184081.db2.gz WPNRLDDCDIDUPO-VIFPVBQESA-N 0 1 255.308 3.291 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CCC(O)(C(C)C)CC2)c(Cl)c1 ZINC001474749366 934090584 /nfs/dbraw/zinc/09/05/84/934090584.db2.gz HRKCLTSICHKSKP-UHFFFAOYSA-N 0 1 297.826 3.337 20 10 CGCDMN CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474498490 937863488 /nfs/dbraw/zinc/86/34/88/937863488.db2.gz UFOZIEXJYOEBOM-OAHLLOKOSA-N 0 1 296.842 3.256 20 10 CGCDMN CS[C@H]1CCCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001560641108 938267557 /nfs/dbraw/zinc/26/75/57/938267557.db2.gz SYDJEGSLYOLMKM-NSHDSACASA-N 0 1 287.375 3.388 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC001560908837 938283391 /nfs/dbraw/zinc/28/33/91/938283391.db2.gz BYUJOTDZPMXFGW-ZDUSSCGKSA-N 0 1 297.345 3.204 20 10 CGCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCCCO1 ZINC000124569960 370926099 /nfs/dbraw/zinc/92/60/99/370926099.db2.gz WQOPDHNLOCMPBL-LBPRGKRZSA-N 0 1 269.772 3.047 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)CC1(C)C ZINC000295122702 372694671 /nfs/dbraw/zinc/69/46/71/372694671.db2.gz XOORGWBDCVHNHI-AWEZNQCLSA-N 0 1 283.799 3.293 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)CC1(C)C ZINC000295122702 372694673 /nfs/dbraw/zinc/69/46/73/372694673.db2.gz XOORGWBDCVHNHI-AWEZNQCLSA-N 0 1 283.799 3.293 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCSC1 ZINC000295424473 372775970 /nfs/dbraw/zinc/77/59/70/372775970.db2.gz SMWNLTYLXZGYEX-SECBINFHSA-N 0 1 275.776 3.122 20 10 CGCDMN COc1cc(O)c(CN(C)[C@@H](C)c2ccco2)cc1OC ZINC000179682657 373905753 /nfs/dbraw/zinc/90/57/53/373905753.db2.gz FLWDBZPHWSCKJB-NSHDSACASA-N 0 1 291.347 3.195 20 10 CGCDMN CCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180622738 374028906 /nfs/dbraw/zinc/02/89/06/374028906.db2.gz RHILRNYOLZZSIK-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCCC[C@H]1O ZINC000272646287 378682752 /nfs/dbraw/zinc/68/27/52/378682752.db2.gz PDOMDGDRHJLDLG-BXUZGUMPSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000273432145 378745521 /nfs/dbraw/zinc/74/55/21/378745521.db2.gz VVKWSVXSKRGGOC-KBPBESRZSA-N 0 1 295.386 3.481 20 10 CGCDMN C[C@@H]([NH2+]C1CCC1)c1ccc(Br)cc1[O-] ZINC000273450648 378746635 /nfs/dbraw/zinc/74/66/35/378746635.db2.gz FWZATQPCHPOEMK-MRVPVSSYSA-N 0 1 270.170 3.358 20 10 CGCDMN Cc1ccc(O)c([C@H](C)N[C@@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273464428 378748590 /nfs/dbraw/zinc/74/85/90/378748590.db2.gz IPYLBGWUZZUFRH-RYUDHWBXSA-N 0 1 288.395 3.354 20 10 CGCDMN Cc1ccc(O)c(C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000373568220 379300857 /nfs/dbraw/zinc/30/08/57/379300857.db2.gz MBGGQLWLSNYXND-UHFFFAOYSA-N 0 1 275.392 3.093 20 10 CGCDMN Cc1cccc(CN2CCOC[C@H]2c2ccccc2)c1O ZINC000374998506 379482326 /nfs/dbraw/zinc/48/23/26/379482326.db2.gz NRGRUQODMHAWNO-KRWDZBQOSA-N 0 1 283.371 3.274 20 10 CGCDMN CCCCN(Cc1ccon1)Cc1ccccc1O ZINC000282523075 379938554 /nfs/dbraw/zinc/93/85/54/379938554.db2.gz UDKVCAWZZSGZEU-UHFFFAOYSA-N 0 1 260.337 3.183 20 10 CGCDMN CCc1ccc([C@H](COC)NCc2ccccc2O)o1 ZINC000174480225 392642370 /nfs/dbraw/zinc/64/23/70/392642370.db2.gz VKNAFZOUGUWMGP-AWEZNQCLSA-N 0 1 275.348 3.025 20 10 CGCDMN Oc1ccccc1CN1CCO[C@@H](c2cccs2)C1 ZINC000179564497 392702790 /nfs/dbraw/zinc/70/27/90/392702790.db2.gz PXSUCAKSQBALEU-CQSZACIVSA-N 0 1 275.373 3.027 20 10 CGCDMN C[C@H]1CN(Cc2ccccc2O)C[C@H](c2ccsc2)O1 ZINC000179582211 392703847 /nfs/dbraw/zinc/70/38/47/392703847.db2.gz BMTAIFFPNQFUGS-BLLLJJGKSA-N 0 1 289.400 3.416 20 10 CGCDMN CC(C)C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185114048 262042067 /nfs/dbraw/zinc/04/20/67/262042067.db2.gz VXEZPAQMUJZVEV-ZYHUDNBSSA-N 0 1 271.788 3.103 20 10 CGCDMN C[C@H]([NH2+]CC(C)(C)CCO)c1cc(Cl)ccc1[O-] ZINC000185608633 262061778 /nfs/dbraw/zinc/06/17/78/262061778.db2.gz FQFGQLXYFDXRLJ-JTQLQIEISA-N 0 1 271.788 3.105 20 10 CGCDMN C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186075018 262078377 /nfs/dbraw/zinc/07/83/77/262078377.db2.gz RMMAHYGMPZBGOB-GHMZBOCLSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@H](N[C@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186546819 262098384 /nfs/dbraw/zinc/09/83/84/262098384.db2.gz CVZCASQXGULVMS-XJKSGUPXSA-N 0 1 288.391 3.120 20 10 CGCDMN C[C@H]([NH2+][C@H](CCO)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000186558651 262099026 /nfs/dbraw/zinc/09/90/26/262099026.db2.gz CRPWLENWWKRMGF-GXFFZTMASA-N 0 1 295.766 3.413 20 10 CGCDMN Cc1c(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cnn1C ZINC000186188159 262312158 /nfs/dbraw/zinc/31/21/58/262312158.db2.gz JEUPZGWMAVWWSS-LBPRGKRZSA-N 0 1 295.386 3.438 20 10 CGCDMN CCCCN(Cc1ncc(C)o1)Cc1ccccc1O ZINC000282481778 263076951 /nfs/dbraw/zinc/07/69/51/263076951.db2.gz OYXUKXBXSHSBOV-UHFFFAOYSA-N 0 1 274.364 3.491 20 10 CGCDMN COCC[C@H]1CCCC[N@H+](Cc2ccccc2[O-])C1 ZINC000368666437 267195989 /nfs/dbraw/zinc/19/59/89/267195989.db2.gz LSQCBQWKYOJGGG-CQSZACIVSA-N 0 1 263.381 3.031 20 10 CGCDMN COCC[C@H]1CCCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000368666437 267195993 /nfs/dbraw/zinc/19/59/93/267195993.db2.gz LSQCBQWKYOJGGG-CQSZACIVSA-N 0 1 263.381 3.031 20 10 CGCDMN CC[C@@H]([NH2+]CC12CC(C1)CO2)c1cc(Cl)ccc1[O-] ZINC000527981990 330298308 /nfs/dbraw/zinc/29/83/08/330298308.db2.gz PNZPXSMMDQIUAK-VROQLPPWSA-N 0 1 281.783 3.265 20 10 CGCDMN CC(C)[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(C)(C)O ZINC000276745441 519821586 /nfs/dbraw/zinc/82/15/86/519821586.db2.gz HALBCXPBCOEQPS-YGRLFVJLSA-N 0 1 285.815 3.492 20 10 CGCDMN CCCc1nc(C)c(CNCc2ccc(N(C)C)cc2)o1 ZINC000291826383 521496076 /nfs/dbraw/zinc/49/60/76/521496076.db2.gz ZRBQHNHCRUFUMC-UHFFFAOYSA-N 0 1 287.407 3.291 20 10 CGCDMN COc1ccc(CN[C@H](C)c2ccccn2)cc1C ZINC000035052532 524089998 /nfs/dbraw/zinc/08/99/98/524089998.db2.gz CPEFMFYAYVWUDI-CYBMUJFWSA-N 0 1 256.349 3.249 20 10 CGCDMN C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000094941571 524463195 /nfs/dbraw/zinc/46/31/95/524463195.db2.gz SFURJVSPHVCUHR-STQMWFEESA-N 0 1 273.376 3.357 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000280191674 525392492 /nfs/dbraw/zinc/39/24/92/525392492.db2.gz UVMZRKFGJNJJRH-UWVGGRQHSA-N 0 1 271.813 3.449 20 10 CGCDMN Cc1nc(F)ccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000279573555 526943818 /nfs/dbraw/zinc/94/38/18/526943818.db2.gz TVUQTOHFEBPAHJ-UHFFFAOYSA-N 0 1 287.382 3.227 20 10 CGCDMN CCOc1ccc(CN[C@H](C)c2nc(C)cs2)c(O)c1 ZINC000727837165 571772461 /nfs/dbraw/zinc/77/24/61/571772461.db2.gz MGCSVCILDJRAIN-LLVKDONJSA-N 0 1 292.404 3.407 20 10 CGCDMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736754843 572808998 /nfs/dbraw/zinc/80/89/98/572808998.db2.gz GZBZQYHKOOUEGD-VXGBXAGGSA-N 0 1 299.370 3.474 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846117139 618073819 /nfs/dbraw/zinc/07/38/19/618073819.db2.gz NFGNIVJRXQAMBG-LBPRGKRZSA-N 0 1 273.710 3.277 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846117139 618073825 /nfs/dbraw/zinc/07/38/25/618073825.db2.gz NFGNIVJRXQAMBG-LBPRGKRZSA-N 0 1 273.710 3.277 20 10 CGCDMN CC[C@H](NCc1cccc(OC)c1O)c1nccs1 ZINC000080260284 617984188 /nfs/dbraw/zinc/98/41/88/617984188.db2.gz QJUZQZBTESFXRT-NSHDSACASA-N 0 1 278.377 3.098 20 10 CGCDMN Oc1cccc(Cl)c1CNc1nccn1C1CC1 ZINC000840887399 618897214 /nfs/dbraw/zinc/89/72/14/618897214.db2.gz NGBCUEPTUXOJDB-UHFFFAOYSA-N 0 1 263.728 3.189 20 10 CGCDMN CCOCC(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000311962356 618979993 /nfs/dbraw/zinc/97/99/93/618979993.db2.gz JPOLNRBZDBDIAC-NSHDSACASA-N 0 1 269.360 3.245 20 10 CGCDMN CS[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180283180 619014339 /nfs/dbraw/zinc/01/43/39/619014339.db2.gz PPNYSJIVWYFXEM-CYBMUJFWSA-N 0 1 269.385 3.249 20 10 CGCDMN C[C@H]1SCC[N@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000093500532 619202353 /nfs/dbraw/zinc/20/23/53/619202353.db2.gz GFMYWZMJYBOLPD-VHSXEESVSA-N 0 1 271.813 3.371 20 10 CGCDMN C[C@H]1SCC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000093500532 619202356 /nfs/dbraw/zinc/20/23/56/619202356.db2.gz GFMYWZMJYBOLPD-VHSXEESVSA-N 0 1 271.813 3.371 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@@H](C2CCC2)C1 ZINC000840955549 619263353 /nfs/dbraw/zinc/26/33/53/619263353.db2.gz VPUUIWMGECAQTE-CQSZACIVSA-N 0 1 299.773 3.186 20 10 CGCDMN CCCOc1ccc(CN[C@H](C)c2n[nH]c(C)n2)cc1C ZINC000894776949 619630116 /nfs/dbraw/zinc/63/01/16/619630116.db2.gz GKYDEBLHRTZYJN-GFCCVEGCSA-N 0 1 288.395 3.061 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000894789858 619632964 /nfs/dbraw/zinc/63/29/64/619632964.db2.gz LHACLHPUJBSWSI-HIFRSBDPSA-N 0 1 297.345 3.060 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CC(C(F)(F)F)C1 ZINC000894891467 619670932 /nfs/dbraw/zinc/67/09/32/619670932.db2.gz FNGCVYBQRSMASW-UHFFFAOYSA-N 0 1 283.652 3.179 20 10 CGCDMN Cc1ccc([C@@H](C)NCc2nccn2CC(C)C)c(O)c1 ZINC000185546107 625374575 /nfs/dbraw/zinc/37/45/75/625374575.db2.gz PNSPXLNMTGTHKM-CQSZACIVSA-N 0 1 287.407 3.404 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CF)C2)c(Cl)c1 ZINC000895574369 619852609 /nfs/dbraw/zinc/85/26/09/619852609.db2.gz WFWQVDOGIWIKFV-JTQLQIEISA-N 0 1 257.736 3.145 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CF)C2)c(Cl)c1 ZINC000895574369 619852611 /nfs/dbraw/zinc/85/26/11/619852611.db2.gz WFWQVDOGIWIKFV-JTQLQIEISA-N 0 1 257.736 3.145 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000895585746 619855399 /nfs/dbraw/zinc/85/53/99/619855399.db2.gz ZBRWYYFNHZXWSP-SNVBAGLBSA-N 0 1 294.807 3.492 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000895585746 619855401 /nfs/dbraw/zinc/85/54/01/619855401.db2.gz ZBRWYYFNHZXWSP-SNVBAGLBSA-N 0 1 294.807 3.492 20 10 CGCDMN Cc1ccc(CNCc2nc3c(s2)CCCC3)c(O)c1 ZINC000896823149 620071609 /nfs/dbraw/zinc/07/16/09/620071609.db2.gz SFWWODJUYKSTER-UHFFFAOYSA-N 0 1 288.416 3.326 20 10 CGCDMN CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185615534 625397151 /nfs/dbraw/zinc/39/71/51/625397151.db2.gz JHYKVZYRFQHLGY-STQMWFEESA-N 0 1 283.387 3.227 20 10 CGCDMN Cc1cccc(O)c1C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897269360 620175633 /nfs/dbraw/zinc/17/56/33/620175633.db2.gz CTIKIEUWGVREGM-MRXNPFEDSA-N 0 1 289.419 3.339 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])[C@H](O)C(C)C ZINC000841756271 620402439 /nfs/dbraw/zinc/40/24/39/620402439.db2.gz SLFCTSCRXXNXOI-RIEGTJTDSA-N 0 1 285.815 3.492 20 10 CGCDMN C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841757333 620404287 /nfs/dbraw/zinc/40/42/87/620404287.db2.gz DOHISQNORKATFG-ZYHUDNBSSA-N 0 1 285.815 3.493 20 10 CGCDMN CO[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841759556 620405999 /nfs/dbraw/zinc/40/59/99/620405999.db2.gz ZTZLCDHFRGOQBM-XPTSAGLGSA-N 0 1 269.772 3.121 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2cccnc2C)cc1Cl ZINC000898251763 620497659 /nfs/dbraw/zinc/49/76/59/620497659.db2.gz KXSWEEGBEHSKLU-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN CCC[C@@H](O)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000927016077 620561630 /nfs/dbraw/zinc/56/16/30/620561630.db2.gz HNSPRHRJSMWCPV-ZYHUDNBSSA-N 0 1 271.788 3.247 20 10 CGCDMN Cc1ccc(O)c([C@@H](C)N[C@@H](c2ncccn2)C2CC2)c1 ZINC000903327829 621701892 /nfs/dbraw/zinc/70/18/92/621701892.db2.gz ZPJFEKJSUZEUGR-MLGOLLRUSA-N 0 1 283.375 3.293 20 10 CGCDMN CC1(C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000224173640 622870629 /nfs/dbraw/zinc/87/06/29/622870629.db2.gz CKLTWBCLSCSZNK-UHFFFAOYSA-N 0 1 270.170 3.044 20 10 CGCDMN CC[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC000324366952 623876655 /nfs/dbraw/zinc/87/66/55/623876655.db2.gz WXIIKRCPCRTAOS-LBPRGKRZSA-N 0 1 284.197 3.433 20 10 CGCDMN COc1cccc(CN[C@@H](C)c2nc(C)cs2)c1O ZINC000069168208 624801722 /nfs/dbraw/zinc/80/17/22/624801722.db2.gz UZFKXYGTRBMJBI-JTQLQIEISA-N 0 1 278.377 3.017 20 10 CGCDMN Cc1cccc(O)c1CN1CCC=C(Br)C1 ZINC000877502160 635063128 /nfs/dbraw/zinc/06/31/28/635063128.db2.gz ZYXIARVDJMHZOK-UHFFFAOYSA-N 0 1 282.181 3.185 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(Cl)c1 ZINC000922718197 626037346 /nfs/dbraw/zinc/03/73/46/626037346.db2.gz SGFAYGWAOQTGAT-XQQFMLRXSA-N 0 1 293.794 3.035 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CCS1 ZINC000922836254 626053615 /nfs/dbraw/zinc/05/36/15/626053615.db2.gz LCJOEJUFNFLRHY-ZJUUUORDSA-N 0 1 271.813 3.419 20 10 CGCDMN CCc1onc(C)c1CNC/C=C\c1ccc(N(C)C)cc1 ZINC000922985267 626113326 /nfs/dbraw/zinc/11/33/26/626113326.db2.gz ZEGPBNOAJCCGGQ-SREVYHEPSA-N 0 1 299.418 3.414 20 10 CGCDMN CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756536430 626713153 /nfs/dbraw/zinc/71/31/53/626713153.db2.gz VRLIPXGPORWSKT-NEPJUHHUSA-N 0 1 284.831 3.427 20 10 CGCDMN Cc1cc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)on1 ZINC000756542510 626714097 /nfs/dbraw/zinc/71/40/97/626714097.db2.gz AUIWMTDIRDMHQG-UFBFGSQYSA-N 0 1 276.311 3.166 20 10 CGCDMN CCCN(CC)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756638022 626723494 /nfs/dbraw/zinc/72/34/94/626723494.db2.gz QKYDGPHSTICLQF-GFCCVEGCSA-N 0 1 284.831 3.428 20 10 CGCDMN C[C@@H]([NH2+][C@H](CCO)C1CC1)c1ccc2ccccc2c1[O-] ZINC000756741222 626729206 /nfs/dbraw/zinc/72/92/06/626729206.db2.gz WENKATMBRZPDJN-SJKOYZFVSA-N 0 1 285.387 3.357 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cc(F)cc(F)c1[O-] ZINC000756757909 626729306 /nfs/dbraw/zinc/72/93/06/626729306.db2.gz DQYSFCRZYKIOGM-ISVAXAHUSA-N 0 1 293.317 3.122 20 10 CGCDMN CN(C)c1ccc(CN2CCOc3ccccc3C2)cc1 ZINC000768941945 627510825 /nfs/dbraw/zinc/51/08/25/627510825.db2.gz WIWAVPDMTAMKGA-UHFFFAOYSA-N 0 1 282.387 3.147 20 10 CGCDMN COc1cccc(CN2CC[C@@H]2c2cccc(F)c2)c1O ZINC000769508671 627561056 /nfs/dbraw/zinc/56/10/56/627561056.db2.gz UFWIYQAXMBWXLJ-OAHLLOKOSA-N 0 1 287.334 3.487 20 10 CGCDMN CC[C@@H]([NH2+]CCCOC)c1cc(Cl)ccc1[O-] ZINC000775482955 628099033 /nfs/dbraw/zinc/09/90/33/628099033.db2.gz JGYMCMCRUUDFQT-GFCCVEGCSA-N 0 1 257.761 3.123 20 10 CGCDMN CC[C@@H]([NH2+]CCC(=O)NC(C)C)c1cc(Cl)ccc1[O-] ZINC000775492765 628099979 /nfs/dbraw/zinc/09/99/79/628099979.db2.gz QTBNYNWTLKMPOT-CYBMUJFWSA-N 0 1 298.814 3.001 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775501838 628101747 /nfs/dbraw/zinc/10/17/47/628101747.db2.gz LVAFRTFHMQMCCB-DOMZBBRYSA-N 0 1 294.826 3.323 20 10 CGCDMN CC[C@@H]([NH2+]CC(C)(C)CCO)c1cc(Cl)ccc1[O-] ZINC000775513223 628102418 /nfs/dbraw/zinc/10/24/18/628102418.db2.gz OZIJFRSJASHLJT-CYBMUJFWSA-N 0 1 285.815 3.495 20 10 CGCDMN CC[C@H]([NH2+]Cc1cc(C)n[nH]1)c1cc(Cl)ccc1[O-] ZINC000775508785 628102585 /nfs/dbraw/zinc/10/25/85/628102585.db2.gz GNEIGFLUQZQJQT-ZDUSSCGKSA-N 0 1 279.771 3.318 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](C)CCCO)c1cc(Cl)ccc1[O-] ZINC000775512724 628102947 /nfs/dbraw/zinc/10/29/47/628102947.db2.gz MEHZHCNVWZAQSO-GXFFZTMASA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775526877 628104065 /nfs/dbraw/zinc/10/40/65/628104065.db2.gz MUCFXNAWTRVERD-KGLIPLIRSA-N 0 1 283.799 3.247 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN[C@@H](c1nccn1C)C1CC1 ZINC000775635294 628117806 /nfs/dbraw/zinc/11/78/06/628117806.db2.gz VHUYVCUTJXARBT-QGZVFWFLSA-N 0 1 298.434 3.035 20 10 CGCDMN COC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775689751 628126305 /nfs/dbraw/zinc/12/63/05/628126305.db2.gz IHMIMHFRPKMAOQ-JTQLQIEISA-N 0 1 287.762 3.043 20 10 CGCDMN Cn1cccc1C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775713430 628128296 /nfs/dbraw/zinc/12/82/96/628128296.db2.gz NPEHSFIKFGIHJG-UHFFFAOYSA-N 0 1 282.746 3.155 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCOCC12CCCC2 ZINC000775733794 628130419 /nfs/dbraw/zinc/13/04/19/628130419.db2.gz IHONSOPNDSNNSI-UHFFFAOYSA-N 0 1 299.773 3.330 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCOCC12CCCC2 ZINC000775733794 628130424 /nfs/dbraw/zinc/13/04/24/628130424.db2.gz IHONSOPNDSNNSI-UHFFFAOYSA-N 0 1 299.773 3.330 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCOCC12CCCC2 ZINC000775733794 628130429 /nfs/dbraw/zinc/13/04/29/628130429.db2.gz IHONSOPNDSNNSI-UHFFFAOYSA-N 0 1 299.773 3.330 20 10 CGCDMN CN(C)CC[N@H+](Cc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000779176105 628392691 /nfs/dbraw/zinc/39/26/91/628392691.db2.gz ZYYVYMSBRHTJLF-UHFFFAOYSA-N 0 1 296.842 3.352 20 10 CGCDMN CN(C)CC[N@@H+](Cc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000779176105 628392693 /nfs/dbraw/zinc/39/26/93/628392693.db2.gz ZYYVYMSBRHTJLF-UHFFFAOYSA-N 0 1 296.842 3.352 20 10 CGCDMN CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000779215528 628394954 /nfs/dbraw/zinc/39/49/54/628394954.db2.gz AOXBPUQPRBCEDU-ZDUSSCGKSA-N 0 1 290.190 3.046 20 10 CGCDMN Cc1ccnc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000788452155 629053556 /nfs/dbraw/zinc/05/35/56/629053556.db2.gz TZOYQNWVSLOUBI-UHFFFAOYSA-N 0 1 284.146 3.410 20 10 CGCDMN CCOc1cccc(CN(C)Cc2ccc(C)cn2)c1O ZINC000789588451 629148260 /nfs/dbraw/zinc/14/82/60/629148260.db2.gz BYKPGWIOVZXNFC-UHFFFAOYSA-N 0 1 286.375 3.126 20 10 CGCDMN CCO[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792161845 629342333 /nfs/dbraw/zinc/34/23/33/629342333.db2.gz JVYPHYHJIFYEFJ-SNVBAGLBSA-N 0 1 287.762 3.186 20 10 CGCDMN CC(C)OCCC[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792164725 629342455 /nfs/dbraw/zinc/34/24/55/629342455.db2.gz CTLLBLULYHJXQB-UHFFFAOYSA-N 0 1 289.778 3.432 20 10 CGCDMN C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H](C2CC2)O1 ZINC000793215273 629429734 /nfs/dbraw/zinc/42/97/34/629429734.db2.gz SJPWZBIQFMAQAQ-YMTOWFKASA-N 0 1 299.773 3.184 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000793607868 629490468 /nfs/dbraw/zinc/49/04/68/629490468.db2.gz DLYCRFMGMJFKFV-ZIAGYGMSSA-N 0 1 299.773 3.328 20 10 CGCDMN CN(Cc1ccccc1O)c1cc[nH+]c2c([O-])cccc12 ZINC000795119450 629633848 /nfs/dbraw/zinc/63/38/48/629633848.db2.gz LZTFKYWJSPEMOT-UHFFFAOYSA-N 0 1 280.327 3.282 20 10 CGCDMN Cc1cc2c(cc1NCc1ccc(F)c(F)c1O)OCO2 ZINC000864031554 629730492 /nfs/dbraw/zinc/73/04/92/629730492.db2.gz FQFOSULNMFDIQG-UHFFFAOYSA-N 0 1 293.269 3.320 20 10 CGCDMN CC1=C(C)C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000796022186 629736469 /nfs/dbraw/zinc/73/64/69/629736469.db2.gz YYVZNGPUFYCALK-UHFFFAOYSA-N 0 1 296.754 3.496 20 10 CGCDMN CN(C)c1ccc(CN2Cc3ccccc3C2)cc1 ZINC000119941269 629801086 /nfs/dbraw/zinc/80/10/86/629801086.db2.gz WAQFRGVKNPYLCU-UHFFFAOYSA-N 0 1 252.361 3.268 20 10 CGCDMN CN(C)c1ccc(CN[C@@H]2CCCc3cccnc32)cc1F ZINC000798927309 630125893 /nfs/dbraw/zinc/12/58/93/630125893.db2.gz RHMUOIPOLBYNAA-MRXNPFEDSA-N 0 1 299.393 3.454 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H](C)C1 ZINC000799736220 630228524 /nfs/dbraw/zinc/22/85/24/630228524.db2.gz IMHZNPZMNATQNN-UWVGGRQHSA-N 0 1 287.762 3.184 20 10 CGCDMN O=C(CCC(F)F)NCc1cc(Cl)cc(Cl)c1O ZINC000807840393 630600328 /nfs/dbraw/zinc/60/03/28/630600328.db2.gz BHVNWDZXZJDLAL-UHFFFAOYSA-N 0 1 298.116 3.361 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)CCO)c1[O-] ZINC000808698409 630666169 /nfs/dbraw/zinc/66/61/69/630666169.db2.gz OVTCDBVKWBWUTH-KOLCDFICSA-N 0 1 271.788 3.023 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CCO)C(C)C)c1[O-] ZINC000808699456 630666413 /nfs/dbraw/zinc/66/64/13/630666413.db2.gz HHMHAXRECTVIHL-FZMZJTMJSA-N 0 1 285.815 3.412 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](O)C2)c1[O-] ZINC000808715975 630669440 /nfs/dbraw/zinc/66/94/40/630669440.db2.gz PCADVBJNDVDTBH-DMDPSCGWSA-N 0 1 283.799 3.166 20 10 CGCDMN [O-]c1c(Cl)cccc1C[NH2+]Cc1nccc(C(F)F)n1 ZINC000809783206 630807160 /nfs/dbraw/zinc/80/71/60/630807160.db2.gz VHUWLBJKFUYEKH-UHFFFAOYSA-N 0 1 299.708 3.063 20 10 CGCDMN CC[C@@H]([NH2+]CCF)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239346 630858009 /nfs/dbraw/zinc/85/80/09/630858009.db2.gz ZJXCPAXSYUJFLG-SNVBAGLBSA-N 0 1 265.250 3.421 20 10 CGCDMN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCC1(F)F ZINC000811512904 631079503 /nfs/dbraw/zinc/07/95/03/631079503.db2.gz UCEZQYYRCJLYEG-LLVKDONJSA-N 0 1 286.341 3.369 20 10 CGCDMN COC[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816509580 631997479 /nfs/dbraw/zinc/99/74/79/631997479.db2.gz VXKDXFUJMUDHJP-CYBMUJFWSA-N 0 1 271.360 3.014 20 10 CGCDMN COC[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816509580 631997481 /nfs/dbraw/zinc/99/74/81/631997481.db2.gz VXKDXFUJMUDHJP-CYBMUJFWSA-N 0 1 271.360 3.014 20 10 CGCDMN COC[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816509580 631997483 /nfs/dbraw/zinc/99/74/83/631997483.db2.gz VXKDXFUJMUDHJP-CYBMUJFWSA-N 0 1 271.360 3.014 20 10 CGCDMN CC(C)(CCO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816554280 632009802 /nfs/dbraw/zinc/00/98/02/632009802.db2.gz UAUITBJBQFJDRJ-UHFFFAOYSA-N 0 1 273.376 3.044 20 10 CGCDMN CO[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC[C@@H]1C ZINC000816586393 632018398 /nfs/dbraw/zinc/01/83/98/632018398.db2.gz GSKJYKONPLQZGD-XPTSAGLGSA-N 0 1 287.762 3.042 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000817418731 632146308 /nfs/dbraw/zinc/14/63/08/632146308.db2.gz DDZRKYWEFZUSFQ-LBPRGKRZSA-N 0 1 283.799 3.030 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000817418731 632146310 /nfs/dbraw/zinc/14/63/10/632146310.db2.gz DDZRKYWEFZUSFQ-LBPRGKRZSA-N 0 1 283.799 3.030 20 10 CGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC12CC2 ZINC000817603130 632194220 /nfs/dbraw/zinc/19/42/20/632194220.db2.gz IXXOUBWMMDXHQY-VIFPVBQESA-N 0 1 286.158 3.115 20 10 CGCDMN CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817958400 632253807 /nfs/dbraw/zinc/25/38/07/632253807.db2.gz JHJVPYHJBDFQNO-LDYMZIIASA-N 0 1 291.222 3.333 20 10 CGCDMN CCC[NH2+]CCN[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000817961845 632257655 /nfs/dbraw/zinc/25/76/55/632257655.db2.gz DNELDOANLHYZMW-VIFPVBQESA-N 0 1 291.222 3.349 20 10 CGCDMN Cc1cc(Cl)cc(CN2CC(CC(F)F)C2)c1O ZINC000822520798 632957852 /nfs/dbraw/zinc/95/78/52/632957852.db2.gz PLTXRZHBKWISSQ-UHFFFAOYSA-N 0 1 275.726 3.441 20 10 CGCDMN C[C@H](C1CC1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824567711 633259413 /nfs/dbraw/zinc/25/94/13/633259413.db2.gz UQZOWZJIFOFCDX-SECBINFHSA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@H](C1CC1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824567711 633259418 /nfs/dbraw/zinc/25/94/18/633259418.db2.gz UQZOWZJIFOFCDX-SECBINFHSA-N 0 1 284.197 3.385 20 10 CGCDMN CC(C)c1nnc(CNCc2ccc3ccccc3c2O)[nH]1 ZINC000824603694 633263869 /nfs/dbraw/zinc/26/38/69/633263869.db2.gz YAIFUYQWNHDSRL-UHFFFAOYSA-N 0 1 296.374 3.077 20 10 CGCDMN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc2ccccc2c1O ZINC000824636972 633266521 /nfs/dbraw/zinc/26/65/21/633266521.db2.gz VUTIRVJUMARUGD-RDJZCZTQSA-N 0 1 285.387 3.138 20 10 CGCDMN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000824636972 633266524 /nfs/dbraw/zinc/26/65/24/633266524.db2.gz VUTIRVJUMARUGD-RDJZCZTQSA-N 0 1 285.387 3.138 20 10 CGCDMN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000824636972 633266529 /nfs/dbraw/zinc/26/65/29/633266529.db2.gz VUTIRVJUMARUGD-RDJZCZTQSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824701977 633276824 /nfs/dbraw/zinc/27/68/24/633276824.db2.gz FMCDONHKWJMHHO-LBPRGKRZSA-N 0 1 273.376 3.185 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000824895609 633302876 /nfs/dbraw/zinc/30/28/76/633302876.db2.gz ZZFNBCYEAIMAKT-QWHCGFSZSA-N 0 1 295.810 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000824895609 633302881 /nfs/dbraw/zinc/30/28/81/633302881.db2.gz ZZFNBCYEAIMAKT-QWHCGFSZSA-N 0 1 295.810 3.212 20 10 CGCDMN Cc1cc(Cl)cc(CN[C@@H]2C[C@H](C)n3ccnc32)c1O ZINC000825017580 633318395 /nfs/dbraw/zinc/31/83/95/633318395.db2.gz VKQDDHOQCDKESR-GXFFZTMASA-N 0 1 291.782 3.346 20 10 CGCDMN Cc1csc(CNCc2cc(Cl)c(C)cc2O)n1 ZINC000825097492 633327930 /nfs/dbraw/zinc/32/79/30/633327930.db2.gz UXOQZILXCLFXLA-UHFFFAOYSA-N 0 1 282.796 3.409 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825133718 633331854 /nfs/dbraw/zinc/33/18/54/633331854.db2.gz LTEFTCCDHRUVRW-OAHLLOKOSA-N 0 1 299.773 3.187 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2cnc(C3CC3)o2)c1 ZINC000825178941 633334792 /nfs/dbraw/zinc/33/47/92/633334792.db2.gz IYPOJNQFYLCZTR-JTQLQIEISA-N 0 1 288.347 3.117 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000825215274 633336284 /nfs/dbraw/zinc/33/62/84/633336284.db2.gz KRNYQXILWWMEDA-OAHLLOKOSA-N 0 1 281.396 3.250 20 10 CGCDMN CC[C@H](NCc1ncccc1OC)c1ccccc1O ZINC000825249375 633339666 /nfs/dbraw/zinc/33/96/66/633339666.db2.gz FGGUKGJBCAHYGT-ZDUSSCGKSA-N 0 1 272.348 3.037 20 10 CGCDMN CSC[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825298057 633343406 /nfs/dbraw/zinc/34/34/06/633343406.db2.gz UBRBCVHWDXNIBZ-SECBINFHSA-N 0 1 259.802 3.195 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCC(=O)OC(C)(C)C)cc1Cl ZINC000825303067 633343621 /nfs/dbraw/zinc/34/36/21/633343621.db2.gz CUGNJCNUWDSIDJ-UHFFFAOYSA-N 0 1 299.798 3.175 20 10 CGCDMN CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825406665 633353060 /nfs/dbraw/zinc/35/30/60/633353060.db2.gz WQRIOCHAFALSRV-NHYWBVRUSA-N 0 1 283.799 3.259 20 10 CGCDMN C[C@H]([NH2+]CCC1(CO)CCC1)c1cc(Cl)ccc1[O-] ZINC000846209503 636159332 /nfs/dbraw/zinc/15/93/32/636159332.db2.gz DXIWBSWZYVVULA-NSHDSACASA-N 0 1 283.799 3.249 20 10 CGCDMN CCCOc1ccc(CNCc2c[nH]nc2C)cc1C ZINC000873012634 634230672 /nfs/dbraw/zinc/23/06/72/634230672.db2.gz LJVDKDGGFNTBGJ-UHFFFAOYSA-N 0 1 273.380 3.105 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1CCn2ccnc21)c1cc(Cl)ccc1[O-] ZINC000834833421 634251785 /nfs/dbraw/zinc/25/17/85/634251785.db2.gz ZPUSWOHBCZGRGD-QWHCGFSZSA-N 0 1 291.782 3.428 20 10 CGCDMN CC[C@H](N[C@@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834833421 634251788 /nfs/dbraw/zinc/25/17/88/634251788.db2.gz ZPUSWOHBCZGRGD-QWHCGFSZSA-N 0 1 291.782 3.428 20 10 CGCDMN CC[C@@H]([NH2+]CC1=CCOCC1)c1cc(Cl)ccc1[O-] ZINC000834859815 634258256 /nfs/dbraw/zinc/25/82/56/634258256.db2.gz JOXIVHDLWUAZKT-CQSZACIVSA-N 0 1 281.783 3.433 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](C)CCCO)c1cc(Cl)ccc1[O-] ZINC000834870818 634260098 /nfs/dbraw/zinc/26/00/98/634260098.db2.gz KPLNBQTZYLJHRZ-FZMZJTMJSA-N 0 1 285.815 3.495 20 10 CGCDMN CCc1ncc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000834900920 634277999 /nfs/dbraw/zinc/27/79/99/634277999.db2.gz UELZGFHUTOZZHQ-BXKDBHETSA-N 0 1 290.338 3.420 20 10 CGCDMN CCc1ccc([C@H](COC)NCc2ccc(C)cc2O)o1 ZINC000877043117 634961336 /nfs/dbraw/zinc/96/13/36/634961336.db2.gz BLEBYVBPOLXZRQ-HNNXBMFYSA-N 0 1 289.375 3.333 20 10 CGCDMN COC[C@H](NCc1ccc(C)cc1O)c1ccc(C)o1 ZINC000877080325 634977207 /nfs/dbraw/zinc/97/72/07/634977207.db2.gz IBGUDUZQGIYEMI-AWEZNQCLSA-N 0 1 275.348 3.079 20 10 CGCDMN CC[C@@H](N[C@H](C)c1ccn(C)n1)c1ccc(N(C)C)cc1 ZINC000840818420 635058302 /nfs/dbraw/zinc/05/83/02/635058302.db2.gz XUSQHYJLENXJQY-CZUORRHYSA-N 0 1 286.423 3.288 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccncc2C)c(Cl)c1 ZINC000840906267 635079154 /nfs/dbraw/zinc/07/91/54/635079154.db2.gz FLGZORBDEOZMNC-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN CCC(CC)(CO)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840907182 635079860 /nfs/dbraw/zinc/07/98/60/635079860.db2.gz MUNJPESQFUMRRM-UHFFFAOYSA-N 0 1 285.815 3.242 20 10 CGCDMN CSC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877547777 635083488 /nfs/dbraw/zinc/08/34/88/635083488.db2.gz JTQMJXSCTVBEDB-SNVBAGLBSA-N 0 1 287.375 3.245 20 10 CGCDMN COC1(C)CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840937593 635085828 /nfs/dbraw/zinc/08/58/28/635085828.db2.gz SEDGSPBRLFCDQJ-UHFFFAOYSA-N 0 1 283.799 3.355 20 10 CGCDMN CO[C@H]1C[N@H+](Cc2c([O-])cc(C)cc2Cl)CC[C@H]1C ZINC000840940125 635087148 /nfs/dbraw/zinc/08/71/48/635087148.db2.gz UWZFFLCAGZHEMN-ABAIWWIYSA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@H]1C[N@@H+](Cc2c([O-])cc(C)cc2Cl)CC[C@H]1C ZINC000840940125 635087154 /nfs/dbraw/zinc/08/71/54/635087154.db2.gz UWZFFLCAGZHEMN-ABAIWWIYSA-N 0 1 283.799 3.211 20 10 CGCDMN CC[C@@](C)(C[NH2+]Cc1c([O-])cc(C)cc1Cl)OC ZINC000840951088 635091544 /nfs/dbraw/zinc/09/15/44/635091544.db2.gz SCELTVZOWSIANE-AWEZNQCLSA-N 0 1 271.788 3.259 20 10 CGCDMN CC[C@H]([NH2+]Cc1ccc2ccccc2c1[O-])[C@@H](O)C(C)C ZINC000840968207 635096362 /nfs/dbraw/zinc/09/63/62/635096362.db2.gz OSDYYRFLQJZDJG-IRXDYDNUSA-N 0 1 287.403 3.431 20 10 CGCDMN CC1(CC(F)(F)F)C[NH+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877582019 635101293 /nfs/dbraw/zinc/10/12/93/635101293.db2.gz DRGYZYQCJWRGFH-UHFFFAOYSA-N 0 1 295.251 3.445 20 10 CGCDMN COCC1(C2CC2)C[NH+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877685530 635146745 /nfs/dbraw/zinc/14/67/45/635146745.db2.gz AZNHOJXELWLDHC-UHFFFAOYSA-N 0 1 297.398 3.404 20 10 CGCDMN COC(C)(C)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000877707839 635158395 /nfs/dbraw/zinc/15/83/95/635158395.db2.gz KRPORSATSQUMBS-UHFFFAOYSA-N 0 1 273.376 3.450 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877737327 635171079 /nfs/dbraw/zinc/17/10/79/635171079.db2.gz FMJCLIUINTUSIS-JQWIXIFHSA-N 0 1 283.824 3.231 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877737327 635171088 /nfs/dbraw/zinc/17/10/88/635171088.db2.gz FMJCLIUINTUSIS-JQWIXIFHSA-N 0 1 283.824 3.231 20 10 CGCDMN CC(C)(O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877796304 635207125 /nfs/dbraw/zinc/20/71/25/635207125.db2.gz CHQJDUPSMGQVPY-GFCCVEGCSA-N 0 1 283.799 3.029 20 10 CGCDMN CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877796304 635207132 /nfs/dbraw/zinc/20/71/32/635207132.db2.gz CHQJDUPSMGQVPY-GFCCVEGCSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841745049 635222719 /nfs/dbraw/zinc/22/27/19/635222719.db2.gz UBJCUVXMFLWCRW-BZNIZROVSA-N 0 1 291.778 3.430 20 10 CGCDMN C[C@@H]([NH2+]CCOC1CCC1)c1ccc(Cl)cc1[O-] ZINC000841749685 635225147 /nfs/dbraw/zinc/22/51/47/635225147.db2.gz GXCBRSPZCUDJQM-SNVBAGLBSA-N 0 1 269.772 3.265 20 10 CGCDMN C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841758107 635231157 /nfs/dbraw/zinc/23/11/57/635231157.db2.gz SDDUOQQYPXKTGT-HZMBPMFUSA-N 0 1 283.799 3.247 20 10 CGCDMN CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841759023 635233397 /nfs/dbraw/zinc/23/33/97/635233397.db2.gz WZOUTKXPLUZUIV-OPRDCNLKSA-N 0 1 257.761 3.120 20 10 CGCDMN CCc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])[nH]n1 ZINC000841765305 635234562 /nfs/dbraw/zinc/23/45/62/635234562.db2.gz XQTFELCBLYUBTN-VIFPVBQESA-N 0 1 279.771 3.182 20 10 CGCDMN COC1CCC([NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000842219064 635312862 /nfs/dbraw/zinc/31/28/62/635312862.db2.gz JXJBDHCNSJCSKT-UHFFFAOYSA-N 0 1 283.799 3.401 20 10 CGCDMN CC[C@@H](C)C[C@@H](NCc1cccc(Cl)c1O)C(=O)OC ZINC000843415258 635661360 /nfs/dbraw/zinc/66/13/60/635661360.db2.gz HLCPQFCNECWLEZ-ZWNOBZJWSA-N 0 1 299.798 3.113 20 10 CGCDMN CCc1nc(CN[C@@H](C)c2cccc(OC)c2O)cs1 ZINC000846146471 636149800 /nfs/dbraw/zinc/14/98/00/636149800.db2.gz QUFOFOZMXMZWHT-JTQLQIEISA-N 0 1 292.404 3.271 20 10 CGCDMN Oc1c(F)cc(F)cc1CNC1(C(F)F)CCCC1 ZINC000883121656 636546917 /nfs/dbraw/zinc/54/69/17/636546917.db2.gz OLQWJWHLGADDKC-UHFFFAOYSA-N 0 1 277.261 3.338 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCCO1 ZINC000132655730 636827459 /nfs/dbraw/zinc/82/74/59/636827459.db2.gz HTLZFKLJBHXZPC-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCCO1 ZINC000132655730 636827463 /nfs/dbraw/zinc/82/74/63/636827463.db2.gz HTLZFKLJBHXZPC-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCCO1 ZINC000132655730 636827466 /nfs/dbraw/zinc/82/74/66/636827466.db2.gz HTLZFKLJBHXZPC-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN Cc1nc([C@@H](C)Sc2ncc(Cl)s2)n[nH]1 ZINC000850001967 636926046 /nfs/dbraw/zinc/92/60/46/636926046.db2.gz QEPTZLRUUIBPHF-SCSAIBSYSA-N 0 1 260.775 3.076 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850369821 637032501 /nfs/dbraw/zinc/03/25/01/637032501.db2.gz BLLNEYLRGQLRJO-ZBFHGGJFSA-N 0 1 289.762 3.314 20 10 CGCDMN CCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000850554045 637118503 /nfs/dbraw/zinc/11/85/03/637118503.db2.gz HHJVDXAJCGJOII-WCQYABFASA-N 0 1 282.815 3.181 20 10 CGCDMN CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000858484837 638736726 /nfs/dbraw/zinc/73/67/26/638736726.db2.gz CPJKWDXRXHISHQ-AAEUAGOBSA-N 0 1 285.815 3.493 20 10 CGCDMN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)c1ncco1 ZINC000926594428 638789210 /nfs/dbraw/zinc/78/92/10/638789210.db2.gz BPTARJZFFRYIPC-UONOGXRCSA-N 0 1 287.407 3.331 20 10 CGCDMN Cc1nc(C)c(CN(Cc2ccc(N(C)C)cc2)C2CC2)[nH]1 ZINC000929294928 638916581 /nfs/dbraw/zinc/91/65/81/638916581.db2.gz GYQSRSQRRVELBS-UHFFFAOYSA-N 0 1 298.434 3.257 20 10 CGCDMN Cc1cc(CN[C@@H](C)c2ccns2)ccc1N(C)C ZINC000860060735 639276170 /nfs/dbraw/zinc/27/61/70/639276170.db2.gz ADKGYZSPVLKFDL-LBPRGKRZSA-N 0 1 275.421 3.368 20 10 CGCDMN CC(C)CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000091964324 640727939 /nfs/dbraw/zinc/72/79/39/640727939.db2.gz GRVLPDXDZXQVSR-AWEZNQCLSA-N 0 1 283.799 3.293 20 10 CGCDMN CC(C)CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000091964324 640727931 /nfs/dbraw/zinc/72/79/31/640727931.db2.gz GRVLPDXDZXQVSR-AWEZNQCLSA-N 0 1 283.799 3.293 20 10 CGCDMN Cc1cc(O)c(CN2C[C@H](C)OC[C@H]2C)cc1C(C)C ZINC000249049608 640790646 /nfs/dbraw/zinc/79/06/46/640790646.db2.gz IOTYHAKAFMYRJL-KGLIPLIRSA-N 0 1 277.408 3.433 20 10 CGCDMN C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc2ccccc2c1[O-] ZINC000252804012 640863965 /nfs/dbraw/zinc/86/39/65/640863965.db2.gz CNUZUQROQABSSW-QEJZJMRPSA-N 0 1 285.387 3.500 20 10 CGCDMN C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1c([O-])cccc1Cl ZINC000113335956 640976789 /nfs/dbraw/zinc/97/67/89/640976789.db2.gz SHCTWOXGHDJALA-LLVKDONJSA-N 0 1 291.778 3.472 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cccc(O)c1 ZINC000113332461 640976821 /nfs/dbraw/zinc/97/68/21/640976821.db2.gz DTOVPWYAZWHHIC-UHFFFAOYSA-N 0 1 263.724 3.041 20 10 CGCDMN O=C(Nc1ccc2ccccc2n1)c1c(F)ccc(O)c1O ZINC001160416546 806270010 /nfs/dbraw/zinc/27/00/10/806270010.db2.gz UGGDAVLBKWNBSC-UHFFFAOYSA-N 0 1 298.273 3.037 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc2ccccc2c1[O-] ZINC000316723682 799242237 /nfs/dbraw/zinc/24/22/37/799242237.db2.gz IHIIRDCSGQPLMW-SJKOYZFVSA-N 0 1 285.387 3.357 20 10 CGCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CCCCO1 ZINC000379184711 799347593 /nfs/dbraw/zinc/34/75/93/799347593.db2.gz QRCNIZKTWMJWHM-YGRLFVJLSA-N 0 1 269.772 3.093 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H]2C)c1[O-] ZINC000380690381 799365927 /nfs/dbraw/zinc/36/59/27/799365927.db2.gz BREIUXNSBRKLSI-UWVGGRQHSA-N 0 1 281.783 3.479 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1[O-] ZINC000380690381 799365936 /nfs/dbraw/zinc/36/59/36/799365936.db2.gz BREIUXNSBRKLSI-UWVGGRQHSA-N 0 1 281.783 3.479 20 10 CGCDMN Cc1ccoc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000383555659 799404823 /nfs/dbraw/zinc/40/48/23/799404823.db2.gz YMZRMIXCYDLPGP-UHFFFAOYSA-N 0 1 251.713 3.237 20 10 CGCDMN Cc1ccoc1CNCc1c(O)cccc1Cl ZINC000383555659 799404829 /nfs/dbraw/zinc/40/48/29/799404829.db2.gz YMZRMIXCYDLPGP-UHFFFAOYSA-N 0 1 251.713 3.237 20 10 CGCDMN C[C@@H]1COCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000398902502 799533007 /nfs/dbraw/zinc/53/30/07/799533007.db2.gz DXPSQSNAQVJDGB-SECBINFHSA-N 0 1 290.190 3.310 20 10 CGCDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCCOC1 ZINC000402755537 799563789 /nfs/dbraw/zinc/56/37/89/799563789.db2.gz NDDCJSSCVKFCEU-LBPRGKRZSA-N 0 1 269.772 3.047 20 10 CGCDMN C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000691425233 799784014 /nfs/dbraw/zinc/78/40/14/799784014.db2.gz DFYSRRPJEMTOFW-BXKDBHETSA-N 0 1 284.197 3.433 20 10 CGCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccccn1 ZINC000692655465 799795366 /nfs/dbraw/zinc/79/53/66/799795366.db2.gz DMVBGIJPSZJFRU-NSHDSACASA-N 0 1 276.767 3.334 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@H]1CC1(F)F ZINC000701944680 799899604 /nfs/dbraw/zinc/89/96/04/799899604.db2.gz OIUFMFHEHZNTQB-QMMMGPOBSA-N 0 1 261.699 3.181 20 10 CGCDMN CC1([NH2+]Cc2ccc(Br)cc2[O-])CC=CC1 ZINC000702172111 799903480 /nfs/dbraw/zinc/90/34/80/799903480.db2.gz HSYRSIHXEKUSGY-UHFFFAOYSA-N 0 1 282.181 3.353 20 10 CGCDMN COc1cccc(NCc2ccc(F)c(F)c2O)c1F ZINC000703234374 799919695 /nfs/dbraw/zinc/91/96/95/799919695.db2.gz QGKYCSPVFPGYAA-UHFFFAOYSA-N 0 1 283.249 3.430 20 10 CGCDMN COc1cc(F)ccc1NCc1ccc(F)c(F)c1O ZINC000703348980 799922693 /nfs/dbraw/zinc/92/26/93/799922693.db2.gz UEAKKJZHZLIKTQ-UHFFFAOYSA-N 0 1 283.249 3.430 20 10 CGCDMN COC1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000703834441 799930804 /nfs/dbraw/zinc/93/08/04/799930804.db2.gz AECNWXFGMVZVKN-PKSQDBQZSA-N 0 1 267.344 3.140 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@@H]1CCSC1 ZINC000704774497 799939887 /nfs/dbraw/zinc/93/98/87/799939887.db2.gz IEMLIAQUQHDONJ-SNVBAGLBSA-N 0 1 271.813 3.278 20 10 CGCDMN C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707128916 799974122 /nfs/dbraw/zinc/97/41/22/799974122.db2.gz CLKAATXTXWDRDA-SNVBAGLBSA-N 0 1 284.197 3.387 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707128916 799974129 /nfs/dbraw/zinc/97/41/29/799974129.db2.gz CLKAATXTXWDRDA-SNVBAGLBSA-N 0 1 284.197 3.387 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1CCCOC1 ZINC000723951973 800345267 /nfs/dbraw/zinc/34/52/67/800345267.db2.gz PYWPPGNAERDBLY-SMDDNHRTSA-N 0 1 283.799 3.340 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H]1CCCOC1 ZINC000724011050 800352316 /nfs/dbraw/zinc/35/23/16/800352316.db2.gz KBVJETYKMTVODV-HUBLWGQQSA-N 0 1 281.371 3.387 20 10 CGCDMN CCCN(Cc1cc(Cl)n(C)n1)Cc1ccccc1O ZINC001118816201 802608116 /nfs/dbraw/zinc/60/81/16/802608116.db2.gz OKXHNNJOZXOTGC-UHFFFAOYSA-N 0 1 293.798 3.191 20 10 CGCDMN CC[C@H](NCc1ccc(N)cc1)c1c(C)noc1C ZINC001120269053 802737684 /nfs/dbraw/zinc/73/76/84/802737684.db2.gz MECYIWQFQPXDHV-AWEZNQCLSA-N 0 1 259.353 3.115 20 10 CGCDMN COc1ccccc1CC[N@@H+](C)Cc1c([O-])cccc1F ZINC001137838657 803780857 /nfs/dbraw/zinc/78/08/57/803780857.db2.gz GDEHYBWJNCLEOS-UHFFFAOYSA-N 0 1 289.350 3.214 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001138127656 803863393 /nfs/dbraw/zinc/86/33/93/803863393.db2.gz KCEDSDYXDSLSGN-JTQLQIEISA-N 0 1 259.271 3.008 20 10 CGCDMN Cc1c(CN2CCO[C@@H](C(C)C)C2)c2ccccc2n1C ZINC001138258059 803883643 /nfs/dbraw/zinc/88/36/43/803883643.db2.gz JSECERAKKOCUPP-GOSISDBHSA-N 0 1 286.419 3.344 20 10 CGCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC12CCCC2 ZINC001139124887 804133751 /nfs/dbraw/zinc/13/37/51/804133751.db2.gz HHDUPAYSDAJEBZ-UHFFFAOYSA-N 0 1 299.370 3.326 20 10 CGCDMN CC[N@H+](Cc1cccnc1)Cc1c(F)ccc(F)c1[O-] ZINC001139683648 804251270 /nfs/dbraw/zinc/25/12/70/804251270.db2.gz PNKWUNXMJFALQG-UHFFFAOYSA-N 0 1 278.302 3.088 20 10 CGCDMN CC[N@@H+](Cc1cccnc1)Cc1c(F)ccc(F)c1[O-] ZINC001139683648 804251279 /nfs/dbraw/zinc/25/12/79/804251279.db2.gz PNKWUNXMJFALQG-UHFFFAOYSA-N 0 1 278.302 3.088 20 10 CGCDMN C[N@@H+](Cc1cccs1)Cc1c(F)ccc(F)c1[O-] ZINC001139684103 804251735 /nfs/dbraw/zinc/25/17/35/804251735.db2.gz QPQNXGPNSQKSCT-UHFFFAOYSA-N 0 1 269.316 3.364 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001139684095 804253040 /nfs/dbraw/zinc/25/30/40/804253040.db2.gz QNZLIRJRFVLECY-QMTHXVAHSA-N 0 1 267.319 3.435 20 10 CGCDMN CN(Cc1ccc(N2CCCC2)cc1)Cc1cccc(F)n1 ZINC001140133574 804384653 /nfs/dbraw/zinc/38/46/53/804384653.db2.gz OGMUTVFWBBJXQU-UHFFFAOYSA-N 0 1 299.393 3.453 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CCC[C@]1(C)O ZINC001140337891 804417454 /nfs/dbraw/zinc/41/74/54/804417454.db2.gz LMYUGBUEHBSYCW-ABAIWWIYSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CCC[C@]1(C)O ZINC001140337891 804417458 /nfs/dbraw/zinc/41/74/58/804417458.db2.gz LMYUGBUEHBSYCW-ABAIWWIYSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CCC[C@@]1(C)O ZINC001140337892 804418276 /nfs/dbraw/zinc/41/82/76/804418276.db2.gz LMYUGBUEHBSYCW-IAQYHMDHSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CCC[C@@]1(C)O ZINC001140337892 804418282 /nfs/dbraw/zinc/41/82/82/804418282.db2.gz LMYUGBUEHBSYCW-IAQYHMDHSA-N 0 1 283.799 3.029 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001140339420 804420321 /nfs/dbraw/zinc/42/03/21/804420321.db2.gz UUYFZWWXVYNSJS-XHDPSFHLSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001140339420 804420327 /nfs/dbraw/zinc/42/03/27/804420327.db2.gz UUYFZWWXVYNSJS-XHDPSFHLSA-N 0 1 281.783 3.047 20 10 CGCDMN CN(Cc1cncs1)Cc1ccc(Cl)cc1O ZINC001140464678 804441968 /nfs/dbraw/zinc/44/19/68/804441968.db2.gz ZXARITOHGLKONQ-UHFFFAOYSA-N 0 1 268.769 3.134 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(CF)CC1 ZINC001140467251 804443600 /nfs/dbraw/zinc/44/36/00/804443600.db2.gz RVLTZTUTUJFQKY-UHFFFAOYSA-N 0 1 257.736 3.227 20 10 CGCDMN C[C@@]1(CF)CC(F)(F)CN1Cc1c(O)cc(F)cc1F ZINC001140582045 804466745 /nfs/dbraw/zinc/46/67/45/804466745.db2.gz ALRACACVDAWQCX-LBPRGKRZSA-N 0 1 295.251 3.240 20 10 CGCDMN CN1CCOc2cc(C[N@H+]3CC[C@@H]3c3ccccc3)ccc21 ZINC001141144225 804597022 /nfs/dbraw/zinc/59/70/22/804597022.db2.gz WMGXTSYPMVGTMU-QGZVFWFLSA-N 0 1 294.398 3.462 20 10 CGCDMN CN1CCOc2cc(CN3CC[C@@H]3c3ccccc3)ccc21 ZINC001141144225 804597025 /nfs/dbraw/zinc/59/70/25/804597025.db2.gz WMGXTSYPMVGTMU-QGZVFWFLSA-N 0 1 294.398 3.462 20 10 CGCDMN CC1C[NH+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367500 804634369 /nfs/dbraw/zinc/63/43/69/804634369.db2.gz CHVFBYGTJKEIGO-UHFFFAOYSA-N 0 1 290.588 3.260 20 10 CGCDMN C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC001143101217 804800319 /nfs/dbraw/zinc/80/03/19/804800319.db2.gz BKCKQRUWOWMKSP-BETUJISGSA-N 0 1 277.408 3.299 20 10 CGCDMN CCCN1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143111240 804802849 /nfs/dbraw/zinc/80/28/49/804802849.db2.gz ZTSHZPLWPKPKFL-UHFFFAOYSA-N 0 1 290.451 3.217 20 10 CGCDMN CC[N@@H+](Cc1ccc2n1CCC2)Cc1ccccc1O ZINC001248824672 805010089 /nfs/dbraw/zinc/01/00/89/805010089.db2.gz WULPGPIANYNEBL-UHFFFAOYSA-N 0 1 270.376 3.162 20 10 CGCDMN CN(Cc1ccccc1O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001167733910 807235831 /nfs/dbraw/zinc/23/58/31/807235831.db2.gz FSBUAQGUJMZBHC-UHFFFAOYSA-N 0 1 290.294 3.072 20 10 CGCDMN CC(C)=CCC[C@@H](C)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001258084303 807296984 /nfs/dbraw/zinc/29/69/84/807296984.db2.gz SUTNDOJGBCNJOE-GFCCVEGCSA-N 0 1 277.364 3.005 20 10 CGCDMN CCCC1CCC([NH2+]CC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001258529520 807486531 /nfs/dbraw/zinc/48/65/31/807486531.db2.gz PPFBBDOMBGKSKA-UHFFFAOYSA-N 0 1 291.391 3.229 20 10 CGCDMN CC1(C)C[C@H]([NH2+]Cc2ccc(Cl)cc2[O-])C(C)(C)O1 ZINC001180350238 809995876 /nfs/dbraw/zinc/99/58/76/809995876.db2.gz WVHGLFOYXYLXJD-ZDUSSCGKSA-N 0 1 283.799 3.481 20 10 CGCDMN CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181335717 810047303 /nfs/dbraw/zinc/04/73/03/810047303.db2.gz FLDGFDSBKWZSIY-HNNXBMFYSA-N 0 1 283.799 3.173 20 10 CGCDMN CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001181335717 810047306 /nfs/dbraw/zinc/04/73/06/810047306.db2.gz FLDGFDSBKWZSIY-HNNXBMFYSA-N 0 1 283.799 3.173 20 10 CGCDMN CCCC[N@H+](CCC)Cc1ccc(OC)cc1[O-] ZINC001203628580 812411223 /nfs/dbraw/zinc/41/12/23/812411223.db2.gz BXZPJLAAEPUYTI-UHFFFAOYSA-N 0 1 251.370 3.413 20 10 CGCDMN CCCC[N@@H+](CCC)Cc1ccc(OC)cc1[O-] ZINC001203628580 812411228 /nfs/dbraw/zinc/41/12/28/812411228.db2.gz BXZPJLAAEPUYTI-UHFFFAOYSA-N 0 1 251.370 3.413 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CCC[C@@]1(C)O ZINC001203650840 812415814 /nfs/dbraw/zinc/41/58/14/812415814.db2.gz FIHJXGXSJFROIO-IAQYHMDHSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CCC[C@@]1(C)O ZINC001203650840 812415822 /nfs/dbraw/zinc/41/58/22/812415822.db2.gz FIHJXGXSJFROIO-IAQYHMDHSA-N 0 1 283.799 3.029 20 10 CGCDMN COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001203658745 812419399 /nfs/dbraw/zinc/41/93/99/812419399.db2.gz NLVDBLCBSAMIPM-CJNGLKHVSA-N 0 1 295.810 3.294 20 10 CGCDMN COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001203658745 812419400 /nfs/dbraw/zinc/41/94/00/812419400.db2.gz NLVDBLCBSAMIPM-CJNGLKHVSA-N 0 1 295.810 3.294 20 10 CGCDMN CCN(CC)c1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001203939388 812497335 /nfs/dbraw/zinc/49/73/35/812497335.db2.gz ARCTYHAXCWXUNE-XIRDDKMYSA-N 0 1 276.399 3.323 20 10 CGCDMN CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)O3)c2ccccc21 ZINC001204232836 812579835 /nfs/dbraw/zinc/57/98/35/812579835.db2.gz KHKALRZQADWICZ-IYBDPMFKSA-N 0 1 296.414 3.269 20 10 CGCDMN CN(C)c1ccc(CN2CCCC(=O)CC2)c2ccccc21 ZINC001204235090 812581737 /nfs/dbraw/zinc/58/17/37/812581737.db2.gz FYOJDLJBGMZBPD-UHFFFAOYSA-N 0 1 296.414 3.461 20 10 CGCDMN F[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@@H]2C[C@@H]21 ZINC001204323218 812613433 /nfs/dbraw/zinc/61/34/33/812613433.db2.gz GFGOUONAWPVNNZ-BHYGNILZSA-N 0 1 274.383 3.077 20 10 CGCDMN c1cc(N2CCCC2)ccc1CN1CCCCC12COC2 ZINC001204326997 812614491 /nfs/dbraw/zinc/61/44/91/812614491.db2.gz LBIQYEGHAJJJGX-UHFFFAOYSA-N 0 1 286.419 3.042 20 10 CGCDMN Cc1cc(O)c(CNCc2ncccc2F)cc1Cl ZINC001205645747 813039692 /nfs/dbraw/zinc/03/96/92/813039692.db2.gz PQOCKLLTVALHQQ-UHFFFAOYSA-N 0 1 280.730 3.178 20 10 CGCDMN CN(Cc1ccc(N2CCCC2)cc1)Cc1cccc(=O)[nH]1 ZINC001207071674 813479009 /nfs/dbraw/zinc/47/90/09/813479009.db2.gz SAFJMZTVBAIZMM-UHFFFAOYSA-N 0 1 297.402 3.019 20 10 CGCDMN CC[C@@]1(O)CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001207101271 813487683 /nfs/dbraw/zinc/48/76/83/813487683.db2.gz HJOZPZPLQVOVDC-OAHLLOKOSA-N 0 1 283.799 3.091 20 10 CGCDMN CC[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001207101271 813487688 /nfs/dbraw/zinc/48/76/88/813487688.db2.gz HJOZPZPLQVOVDC-OAHLLOKOSA-N 0 1 283.799 3.091 20 10 CGCDMN Oc1ccc(F)cc1CNc1ccc2c(n1)CCCC2 ZINC001207447182 813566179 /nfs/dbraw/zinc/56/61/79/813566179.db2.gz AUXGSMXFMVPWAE-UHFFFAOYSA-N 0 1 272.323 3.417 20 10 CGCDMN CC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631483 813621568 /nfs/dbraw/zinc/62/15/68/813621568.db2.gz ICPYJRSHDCMHFL-SQWLQELKSA-N 0 1 257.377 3.426 20 10 CGCDMN CC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207631483 813621571 /nfs/dbraw/zinc/62/15/71/813621571.db2.gz ICPYJRSHDCMHFL-SQWLQELKSA-N 0 1 257.377 3.426 20 10 CGCDMN CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1O)[C@H](C)CC ZINC001231447512 818100109 /nfs/dbraw/zinc/10/01/09/818100109.db2.gz VXEFWZDHCAKTGC-LLVKDONJSA-N 0 1 265.353 3.101 20 10 CGCDMN C[C@@H]1CC(=O)CCN1Cc1c(O)ccc2ccccc21 ZINC001231587560 818129149 /nfs/dbraw/zinc/12/91/49/818129149.db2.gz FMYJBEREEWJIMJ-GFCCVEGCSA-N 0 1 269.344 3.099 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CC[C@]3(CCCO3)C2)cc1Cl ZINC001231866740 818191344 /nfs/dbraw/zinc/19/13/44/818191344.db2.gz CLECOBNIHCJXFY-OAHLLOKOSA-N 0 1 281.783 3.109 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@]3(CCCO3)C2)cc1Cl ZINC001231866740 818191348 /nfs/dbraw/zinc/19/13/48/818191348.db2.gz CLECOBNIHCJXFY-OAHLLOKOSA-N 0 1 281.783 3.109 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@]3(CCCO3)C2)cc1Cl ZINC001231866740 818191353 /nfs/dbraw/zinc/19/13/53/818191353.db2.gz CLECOBNIHCJXFY-OAHLLOKOSA-N 0 1 281.783 3.109 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1Cl ZINC001231869586 818193682 /nfs/dbraw/zinc/19/36/82/818193682.db2.gz RIFGTTJNJAMCSP-XHVZSJERSA-N 0 1 269.747 3.286 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1Cl ZINC001231869586 818193685 /nfs/dbraw/zinc/19/36/85/818193685.db2.gz RIFGTTJNJAMCSP-XHVZSJERSA-N 0 1 269.747 3.286 20 10 CGCDMN CC[N@@H+](Cc1ccc2ccccc2c1O)CC(C)(C)O ZINC001231880909 818198865 /nfs/dbraw/zinc/19/88/65/818198865.db2.gz MZXUNRNYNKDNGR-UHFFFAOYSA-N 0 1 273.376 3.138 20 10 CGCDMN CC[N@H+](Cc1ccc2ccccc2c1[O-])CC(C)(C)O ZINC001231880909 818198870 /nfs/dbraw/zinc/19/88/70/818198870.db2.gz MZXUNRNYNKDNGR-UHFFFAOYSA-N 0 1 273.376 3.138 20 10 CGCDMN CC[N@@H+](Cc1ccc2ccccc2c1[O-])CC(C)(C)O ZINC001231880909 818198872 /nfs/dbraw/zinc/19/88/72/818198872.db2.gz MZXUNRNYNKDNGR-UHFFFAOYSA-N 0 1 273.376 3.138 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@@]1(C)O ZINC001231879578 818199673 /nfs/dbraw/zinc/19/96/73/818199673.db2.gz JAWYBLKINQGSPJ-FZKQIMNGSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@@]1(C)O ZINC001231879578 818199675 /nfs/dbraw/zinc/19/96/75/818199675.db2.gz JAWYBLKINQGSPJ-FZKQIMNGSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1CC(=O)CCN1Cc1ccc2ccccc2c1O ZINC001231879522 818199692 /nfs/dbraw/zinc/19/96/92/818199692.db2.gz GVTKPOINHGGCBM-GFCCVEGCSA-N 0 1 269.344 3.099 20 10 CGCDMN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCC[C@H]1O ZINC001231879469 818199810 /nfs/dbraw/zinc/19/98/10/818199810.db2.gz DFOBDEGHGVBPCJ-SUMWQHHRSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCC[C@H]1O ZINC001231879469 818199813 /nfs/dbraw/zinc/19/98/13/818199813.db2.gz DFOBDEGHGVBPCJ-SUMWQHHRSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879236 818200018 /nfs/dbraw/zinc/20/00/18/818200018.db2.gz AYEWPZQJWMSPBO-UONOGXRCSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879236 818200022 /nfs/dbraw/zinc/20/00/22/818200022.db2.gz AYEWPZQJWMSPBO-UONOGXRCSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1O ZINC001231879374 818200438 /nfs/dbraw/zinc/20/04/38/818200438.db2.gz CYPPANYXRFKGNU-SUMWQHHRSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1O ZINC001231879374 818200443 /nfs/dbraw/zinc/20/04/43/818200443.db2.gz CYPPANYXRFKGNU-SUMWQHHRSA-N 0 1 285.387 3.138 20 10 CGCDMN CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])C[C@@H]21 ZINC001231911115 818208627 /nfs/dbraw/zinc/20/86/27/818208627.db2.gz BTOJLNWDPWQCRE-OSAQELSMSA-N 0 1 295.810 3.293 20 10 CGCDMN C[N@H+](CC(=O)c1ccccc1)Cc1cccc(Cl)c1[O-] ZINC001231914430 818212051 /nfs/dbraw/zinc/21/20/51/818212051.db2.gz LJBASPSEIMSSGB-UHFFFAOYSA-N 0 1 289.762 3.360 20 10 CGCDMN C[N@@H+](CC(=O)c1ccccc1)Cc1cccc(Cl)c1[O-] ZINC001231914430 818212058 /nfs/dbraw/zinc/21/20/58/818212058.db2.gz LJBASPSEIMSSGB-UHFFFAOYSA-N 0 1 289.762 3.360 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](CF)C2)cc1Cl ZINC001232269603 818299368 /nfs/dbraw/zinc/29/93/68/818299368.db2.gz GLVPAOYREUHDNY-JTQLQIEISA-N 0 1 287.762 3.236 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](CF)C2)cc1Cl ZINC001232269603 818299372 /nfs/dbraw/zinc/29/93/72/818299372.db2.gz GLVPAOYREUHDNY-JTQLQIEISA-N 0 1 287.762 3.236 20 10 CGCDMN CC[N@H+](Cc1ccccc1O)Cc1cnc(OC)cc1C ZINC001232353260 818328422 /nfs/dbraw/zinc/32/84/22/818328422.db2.gz ITNGXWAGUWAWPC-UHFFFAOYSA-N 0 1 286.375 3.126 20 10 CGCDMN C[C@H]1CCN(Cc2cc(C(C)(C)C)ccc2O)CCC1=O ZINC001233284047 818566422 /nfs/dbraw/zinc/56/64/22/818566422.db2.gz FZRKPENIYTULON-ZDUSSCGKSA-N 0 1 289.419 3.491 20 10 CGCDMN CC(C)(C)c1ccc(O)c(CN2CCOC[C@H]2C2CC2)c1 ZINC001233287071 818567631 /nfs/dbraw/zinc/56/76/31/818567631.db2.gz VLEQKNPAOYCXFN-INIZCTEOSA-N 0 1 289.419 3.301 20 10 CGCDMN CC1(C)COCCN1Cc1ccc(C(F)(F)F)cc1O ZINC001233454390 818623596 /nfs/dbraw/zinc/62/35/96/818623596.db2.gz SUXUMRSSKOLDAM-UHFFFAOYSA-N 0 1 289.297 3.022 20 10 CGCDMN Nc1ccc2c(c1)CC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001236106016 819322517 /nfs/dbraw/zinc/32/25/17/819322517.db2.gz XRHSMORCKMKWHA-UHFFFAOYSA-N 0 1 288.778 3.186 20 10 CGCDMN Nc1ccc2c(c1)CC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001236106016 819322520 /nfs/dbraw/zinc/32/25/20/819322520.db2.gz XRHSMORCKMKWHA-UHFFFAOYSA-N 0 1 288.778 3.186 20 10 CGCDMN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCCC[C@H]1CO ZINC001236792543 819597716 /nfs/dbraw/zinc/59/77/16/819597716.db2.gz DYODDZWWDVJRGV-JTQLQIEISA-N 0 1 290.190 3.046 20 10 CGCDMN COc1ccc(C[N@@H+](C)Cc2ccncc2)c([O-])c1Cl ZINC001236801688 819600055 /nfs/dbraw/zinc/60/00/55/819600055.db2.gz LTECQXGIYAWWGS-UHFFFAOYSA-N 0 1 292.766 3.081 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2C)c(Cl)c1 ZINC001236797956 819600465 /nfs/dbraw/zinc/60/04/65/819600465.db2.gz CJLMLXYGIDCLCQ-SECBINFHSA-N 0 1 255.745 3.039 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H]2C)c(Cl)c1 ZINC001236797956 819600470 /nfs/dbraw/zinc/60/04/70/819600470.db2.gz CJLMLXYGIDCLCQ-SECBINFHSA-N 0 1 255.745 3.039 20 10 CGCDMN C[N@@H+](CCF)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236804846 819602003 /nfs/dbraw/zinc/60/20/03/819602003.db2.gz ULWYDCNRFDPXNQ-UHFFFAOYSA-N 0 1 252.116 3.100 20 10 CGCDMN O=C1CCN(Cc2cc3ccccc3cc2O)CC[C@H]1F ZINC001236826208 819607303 /nfs/dbraw/zinc/60/73/03/819607303.db2.gz IKFKWGRKAWFZCY-OAHLLOKOSA-N 0 1 287.334 3.048 20 10 CGCDMN OCC[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236830496 819611358 /nfs/dbraw/zinc/61/13/58/819611358.db2.gz AYWGYXXUJMFXRS-CQSZACIVSA-N 0 1 285.387 3.140 20 10 CGCDMN [O-]c1cc2ccccc2cc1C[N@H+]1CCC[C@H](CCO)C1 ZINC001236830496 819611362 /nfs/dbraw/zinc/61/13/62/819611362.db2.gz AYWGYXXUJMFXRS-CQSZACIVSA-N 0 1 285.387 3.140 20 10 CGCDMN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC001236830496 819611365 /nfs/dbraw/zinc/61/13/65/819611365.db2.gz AYWGYXXUJMFXRS-CQSZACIVSA-N 0 1 285.387 3.140 20 10 CGCDMN CCCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237620776 819788517 /nfs/dbraw/zinc/78/85/17/819788517.db2.gz PZYVIEWQLIRZII-GFCCVEGCSA-N 0 1 287.762 3.186 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237622317 819788564 /nfs/dbraw/zinc/78/85/64/819788564.db2.gz QHROIGBRPPFLKF-GZMMTYOYSA-N 0 1 255.720 3.169 20 10 CGCDMN Cc1cc(O)c(CN2CC[C@H]2C)cc1Br ZINC001237678434 819804442 /nfs/dbraw/zinc/80/44/42/819804442.db2.gz ZADZTSKJLMULMD-SECBINFHSA-N 0 1 270.170 3.057 20 10 CGCDMN Oc1c(Cl)cc(F)cc1CN1Cc2cccnc2C1 ZINC001237808740 819848029 /nfs/dbraw/zinc/84/80/29/819848029.db2.gz WDPFALRFFJKDTC-UHFFFAOYSA-N 0 1 278.714 3.096 20 10 CGCDMN CO[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC001345153698 936804205 /nfs/dbraw/zinc/80/42/05/936804205.db2.gz DQNCKUFMIMWRLG-WDEREUQCSA-N 0 1 269.772 3.011 20 10 CGCDMN Oc1cccc2c1CN(Cc1cccn1C1CC1)C2 ZINC001349632744 936954820 /nfs/dbraw/zinc/95/48/20/936954820.db2.gz KTYDDRXDORSRCC-UHFFFAOYSA-N 0 1 254.333 3.044 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CCCC[C@@]32C)c1[O-] ZINC001351496351 937018573 /nfs/dbraw/zinc/01/85/73/937018573.db2.gz SRYVJSPUTHQGIA-GUYCJALGSA-N 0 1 291.366 3.498 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3CCCC[C@@]32C)c1[O-] ZINC001351496351 937018576 /nfs/dbraw/zinc/01/85/76/937018576.db2.gz SRYVJSPUTHQGIA-GUYCJALGSA-N 0 1 291.366 3.498 20 10 CGCDMN CC(C)c1ccc(O)c(CN2CCO[C@@H](C)[C@@H]2C)c1 ZINC001461960011 937609488 /nfs/dbraw/zinc/60/94/88/937609488.db2.gz LYIJTYDPVMULHW-STQMWFEESA-N 0 1 263.381 3.125 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC001331582852 932710583 /nfs/dbraw/zinc/71/05/83/932710583.db2.gz JWZVANHUWIHDGD-ZDUSSCGKSA-N 0 1 289.272 3.292 20 10 CGCDMN CCC[C@]1([NH2+]Cc2ccc(Cl)cc2[O-])CCOC1 ZINC001462222382 937626094 /nfs/dbraw/zinc/62/60/94/937626094.db2.gz CWMOJVFFZVFVII-AWEZNQCLSA-N 0 1 269.772 3.094 20 10 CGCDMN CO[C@H]1C[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C12CCC2 ZINC001308431682 933110778 /nfs/dbraw/zinc/11/07/78/933110778.db2.gz SNWFINBLOIQELG-GJZGRUSLSA-N 0 1 295.810 3.401 20 10 CGCDMN CC[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)[C@H](C)CO1 ZINC001308848297 933189321 /nfs/dbraw/zinc/18/93/21/933189321.db2.gz KZELVXRUAPKCRN-YOBDTOFLSA-N 0 1 288.435 3.265 20 10 CGCDMN C[C@@]12CSC[C@@H]1C[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001308969241 933216159 /nfs/dbraw/zinc/21/61/59/933216159.db2.gz ONWMTBSVSIUHCS-SMDDNHRTSA-N 0 1 283.824 3.231 20 10 CGCDMN C[C@@]12CSC[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001308969241 933216177 /nfs/dbraw/zinc/21/61/77/933216177.db2.gz ONWMTBSVSIUHCS-SMDDNHRTSA-N 0 1 283.824 3.231 20 10 CGCDMN Cc1ccc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])nc1 ZINC001330808031 935324266 /nfs/dbraw/zinc/32/42/66/935324266.db2.gz HMVUVBHNKMTFPD-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN C[C@@H]1N(Cc2ccc(N3CCCC3)cc2)CCOC1(C)C ZINC001337041742 936233534 /nfs/dbraw/zinc/23/35/34/936233534.db2.gz BMPPOYPCFOWCTP-HNNXBMFYSA-N 0 1 288.435 3.286 20 10 CGCDMN Cc1cc(C)[nH+]c(NCc2cc(F)cc(F)c2[O-])c1 ZINC001474077542 937839015 /nfs/dbraw/zinc/83/90/15/937839015.db2.gz CKHXMIODLGYFLH-UHFFFAOYSA-N 0 1 264.275 3.294 20 10 CGCDMN Cc1ccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c(O)c1 ZINC001560697492 938270855 /nfs/dbraw/zinc/27/08/55/938270855.db2.gz BNTWRBBTVRSENB-UHFFFAOYSA-N 0 1 298.342 3.167 20 10 CGCDMN CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC001560834382 938278319 /nfs/dbraw/zinc/27/83/19/938278319.db2.gz MCOKBSBSEHPYIM-CHWSQXEVSA-N 0 1 297.345 3.060 20 10 CGCDMN CCOC1(C)CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001560856589 938279829 /nfs/dbraw/zinc/27/98/29/938279829.db2.gz OSSJVLXNRBXWJO-UHFFFAOYSA-N 0 1 283.799 3.437 20 10 CGCDMN CCCCCOC1CN(Cc2cc(F)cc(F)c2O)C1 ZINC001560875277 938281161 /nfs/dbraw/zinc/28/11/61/938281161.db2.gz ITAXHFODSDRYFJ-UHFFFAOYSA-N 0 1 285.334 3.061 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000092648600 370099141 /nfs/dbraw/zinc/09/91/41/370099141.db2.gz LRHPWJIVFKGLPM-UHFFFAOYSA-N 0 1 291.782 3.079 20 10 CGCDMN Oc1ccc(F)cc1CN1CCc2sccc2C1 ZINC000138549831 371505177 /nfs/dbraw/zinc/50/51/77/371505177.db2.gz ARFZLYSRMCMIMR-UHFFFAOYSA-N 0 1 263.337 3.151 20 10 CGCDMN Cc1nnsc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000293770325 372476026 /nfs/dbraw/zinc/47/60/26/372476026.db2.gz SOYVXJYHPJVRJF-ZETCQYMHSA-N 0 1 283.784 3.056 20 10 CGCDMN COC[C@]1(C)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000294149687 372594570 /nfs/dbraw/zinc/59/45/70/372594570.db2.gz HHVFAXRSKKPIAN-GOSISDBHSA-N 0 1 285.387 3.404 20 10 CGCDMN COC[C@]1(C)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000294149687 372594575 /nfs/dbraw/zinc/59/45/75/372594575.db2.gz HHVFAXRSKKPIAN-GOSISDBHSA-N 0 1 285.387 3.404 20 10 CGCDMN C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168526423 372613437 /nfs/dbraw/zinc/61/34/37/372613437.db2.gz RVBLOICWSXWWMM-STQMWFEESA-N 0 1 272.392 3.146 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@H](O)C(F)F ZINC000296386485 373115785 /nfs/dbraw/zinc/11/57/85/373115785.db2.gz JWSTYOKQIJHBNE-VHRDEZTHSA-N 0 1 293.741 3.101 20 10 CGCDMN C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000273432147 378745739 /nfs/dbraw/zinc/74/57/39/378745739.db2.gz VVKWSVXSKRGGOC-KGLIPLIRSA-N 0 1 295.386 3.481 20 10 CGCDMN Cc1cc(Cl)cc(CN(C)Cc2ccccn2)c1O ZINC000273428883 378746687 /nfs/dbraw/zinc/74/66/87/378746687.db2.gz SNOLUMRPEXAZAR-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000273575765 378754431 /nfs/dbraw/zinc/75/44/31/378754431.db2.gz LVQODASZQQKXHF-JRPNMDOOSA-N 0 1 294.826 3.179 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC23CCC3)c1[O-] ZINC000373104321 379224366 /nfs/dbraw/zinc/22/43/66/379224366.db2.gz NPBVWIPFSKKLST-UHFFFAOYSA-N 0 1 277.339 3.252 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC23CCC3)c1[O-] ZINC000373104321 379224371 /nfs/dbraw/zinc/22/43/71/379224371.db2.gz NPBVWIPFSKKLST-UHFFFAOYSA-N 0 1 277.339 3.252 20 10 CGCDMN Cc1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])n(C)n1 ZINC000284565284 380140681 /nfs/dbraw/zinc/14/06/81/380140681.db2.gz YNBSBIUFIHDNFC-ZDUSSCGKSA-N 0 1 295.386 3.438 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285331890 380147666 /nfs/dbraw/zinc/14/76/66/380147666.db2.gz XNKOQCLWPNQCFX-HIFRSBDPSA-N 0 1 281.783 3.189 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285331890 380147673 /nfs/dbraw/zinc/14/76/73/380147673.db2.gz XNKOQCLWPNQCFX-HIFRSBDPSA-N 0 1 281.783 3.189 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1ccc(F)cc1[O-] ZINC000285909391 380153668 /nfs/dbraw/zinc/15/36/68/380153668.db2.gz BUJRMYGBOIWDPF-BMIGLBTASA-N 0 1 291.370 3.235 20 10 CGCDMN Cc1ccnc([C@H](C)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000286023410 380159067 /nfs/dbraw/zinc/15/90/67/380159067.db2.gz JWQWMAQPXBFAGQ-ZDUSSCGKSA-N 0 1 287.382 3.446 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1cccc(Cl)c1[O-] ZINC000293630295 286909392 /nfs/dbraw/zinc/90/93/92/286909392.db2.gz KERSTGWBAOIVBC-BXUZGUMPSA-N 0 1 284.831 3.284 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C(C1CC1)C1CC1 ZINC000020131109 171019936 /nfs/dbraw/zinc/01/99/36/171019936.db2.gz NLBXRTGEMFDGOA-UHFFFAOYSA-N 0 1 251.757 3.324 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2nc(C)cs2)c1 ZINC000038090671 174104022 /nfs/dbraw/zinc/10/40/22/174104022.db2.gz MSJIWOIXLCZQIJ-SNVBAGLBSA-N 0 1 278.377 3.017 20 10 CGCDMN Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185348291 262051460 /nfs/dbraw/zinc/05/14/60/262051460.db2.gz SQTPUBXSOCPOES-NXEZZACHSA-N 0 1 293.798 3.499 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC3(CC3)C2)c1[O-] ZINC000186998395 262120949 /nfs/dbraw/zinc/12/09/49/262120949.db2.gz PXFURPMYQBCUGM-UHFFFAOYSA-N 0 1 277.339 3.110 20 10 CGCDMN COc1cccc(CN2CC(C)(C)[C@@H]2c2ccncc2)c1O ZINC000294094215 265006937 /nfs/dbraw/zinc/00/69/37/265006937.db2.gz ZTAFHIOSXNLIDI-KRWDZBQOSA-N 0 1 298.386 3.379 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000367975130 267132165 /nfs/dbraw/zinc/13/21/65/267132165.db2.gz VZFVTVUCOHKDCU-ZWNOBZJWSA-N 0 1 251.757 3.420 20 10 CGCDMN COCC[C@@H]1CCCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000368675259 267197295 /nfs/dbraw/zinc/19/72/95/267197295.db2.gz MSYQEWSSEYQSNI-AWEZNQCLSA-N 0 1 293.407 3.039 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)CCN(C)C)c1cccc(Cl)c1[O-] ZINC000287617023 288076908 /nfs/dbraw/zinc/07/69/08/288076908.db2.gz JQOCWWBOVUARAG-RISCZKNCSA-N 0 1 284.831 3.427 20 10 CGCDMN CCC[N@@H+](CCc1ccccn1)Cc1cccc(F)c1[O-] ZINC000289779924 521672978 /nfs/dbraw/zinc/67/29/78/521672978.db2.gz LBGLXFCLSASBSE-UHFFFAOYSA-N 0 1 288.366 3.381 20 10 CGCDMN Cc1cccc(CN[C@@H](C)c2c(F)cncc2F)c1O ZINC000289631584 524435408 /nfs/dbraw/zinc/43/54/08/524435408.db2.gz LZBUZBCRZFBRHQ-JTQLQIEISA-N 0 1 278.302 3.225 20 10 CGCDMN C[C@@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCCC[C@@H]1O ZINC000748243316 571673190 /nfs/dbraw/zinc/67/31/90/571673190.db2.gz XOYKHFRLTUAILS-GJZGRUSLSA-N 0 1 283.799 3.076 20 10 CGCDMN Cc1occc1CNCc1ccc(N(C)C)c(F)c1 ZINC000733325201 572555064 /nfs/dbraw/zinc/55/50/64/572555064.db2.gz DGURNCVZHASIRS-UHFFFAOYSA-N 0 1 262.328 3.083 20 10 CGCDMN Cc1cc(O)c(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000833746865 604645760 /nfs/dbraw/zinc/64/57/60/604645760.db2.gz KNRXGPIIEKBRFS-QGZVFWFLSA-N 0 1 299.370 3.267 20 10 CGCDMN Cc1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000051575263 618757462 /nfs/dbraw/zinc/75/74/62/618757462.db2.gz PHSGMZVTNMHJDC-CQSZACIVSA-N 0 1 269.392 3.307 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])[C@H](C)C1 ZINC000310601836 618813659 /nfs/dbraw/zinc/81/36/59/618813659.db2.gz BPYCOEZNGJWADE-ZWNOBZJWSA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@H](C)C1 ZINC000310601836 618813660 /nfs/dbraw/zinc/81/36/60/618813660.db2.gz BPYCOEZNGJWADE-ZWNOBZJWSA-N 0 1 269.772 3.045 20 10 CGCDMN Cc1cc(CNCc2ccc(N(C)C)c(F)c2)cnc1F ZINC000892737984 618928719 /nfs/dbraw/zinc/92/87/19/618928719.db2.gz QNNWGBVJJVPWJI-UHFFFAOYSA-N 0 1 291.345 3.024 20 10 CGCDMN COc1ccc(O)c(CN2CCc3ccc(F)cc3C2)c1 ZINC000180235231 619013921 /nfs/dbraw/zinc/01/39/21/619013921.db2.gz GIWZUGCHVNWPHG-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN CC[C@H]([NH2+]C[C@H]1CCCN1C)c1cc(Cl)ccc1[O-] ZINC000775490671 619074931 /nfs/dbraw/zinc/07/49/31/619074931.db2.gz XCOQVHVLWXIFOW-OCCSQVGLSA-N 0 1 282.815 3.181 20 10 CGCDMN Cc1cnc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000235954508 619302770 /nfs/dbraw/zinc/30/27/70/619302770.db2.gz SSBSZUUCBOIURE-UHFFFAOYSA-N 0 1 287.146 3.285 20 10 CGCDMN Cc1n[nH]c(CN(Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC000893928999 619334887 /nfs/dbraw/zinc/33/48/87/619334887.db2.gz JJNCHZZKXVIHIA-UHFFFAOYSA-N 0 1 298.434 3.257 20 10 CGCDMN Cc1cc([C@@H]2CCCN2Cc2cc(F)cc(F)c2O)no1 ZINC000893945893 619338020 /nfs/dbraw/zinc/33/80/20/619338020.db2.gz JJVVEIQFMGSTJJ-AWEZNQCLSA-N 0 1 294.301 3.304 20 10 CGCDMN Cc1ncsc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000178864492 619425466 /nfs/dbraw/zinc/42/54/66/619425466.db2.gz MEWIJIRNLKPPBF-UHFFFAOYSA-N 0 1 275.421 3.150 20 10 CGCDMN COc1ccc(CN2Cc3cccc(O)c3C2)c(C)c1 ZINC000895786209 619885587 /nfs/dbraw/zinc/88/55/87/619885587.db2.gz ZXSSRENOSQTIKD-UHFFFAOYSA-N 0 1 269.344 3.225 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895843853 619893158 /nfs/dbraw/zinc/89/31/58/619893158.db2.gz DKJMDWFXVVMDIK-IINYFYTJSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+](CCO)Cc1ccccc1 ZINC000305740556 620204506 /nfs/dbraw/zinc/20/45/06/620204506.db2.gz YODRZPBJMDSUKN-UHFFFAOYSA-N 0 1 291.778 3.040 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+](CCO)Cc1ccccc1 ZINC000305740556 620204509 /nfs/dbraw/zinc/20/45/09/620204509.db2.gz YODRZPBJMDSUKN-UHFFFAOYSA-N 0 1 291.778 3.040 20 10 CGCDMN C[C@H](NCc1cnc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000799167058 620292547 /nfs/dbraw/zinc/29/25/47/620292547.db2.gz RLNATOOFIZUSJL-NSHDSACASA-N 0 1 290.798 3.047 20 10 CGCDMN CCN(CC)c1ccc(CN2CCCO[C@@H](C)C2)cc1F ZINC000179396848 621010148 /nfs/dbraw/zinc/01/01/48/621010148.db2.gz OZEMXQMNJKYGCR-AWEZNQCLSA-N 0 1 294.414 3.283 20 10 CGCDMN CCCC[N@H+](CC[C@@H]1CCOC1)Cc1ccccc1[O-] ZINC000802657982 622332528 /nfs/dbraw/zinc/33/25/28/622332528.db2.gz YBGVIMICFDNNIT-OAHLLOKOSA-N 0 1 277.408 3.421 20 10 CGCDMN CCCC[N@@H+](CC[C@@H]1CCOC1)Cc1ccccc1[O-] ZINC000802657982 622332530 /nfs/dbraw/zinc/33/25/30/622332530.db2.gz YBGVIMICFDNNIT-OAHLLOKOSA-N 0 1 277.408 3.421 20 10 CGCDMN CCCC[N@H+](CC[C@H]1CCOC1)Cc1ccccc1[O-] ZINC000802657981 622332618 /nfs/dbraw/zinc/33/26/18/622332618.db2.gz YBGVIMICFDNNIT-HNNXBMFYSA-N 0 1 277.408 3.421 20 10 CGCDMN CCCC[N@@H+](CC[C@H]1CCOC1)Cc1ccccc1[O-] ZINC000802657981 622332621 /nfs/dbraw/zinc/33/26/21/622332621.db2.gz YBGVIMICFDNNIT-HNNXBMFYSA-N 0 1 277.408 3.421 20 10 CGCDMN Cc1cc(O)c(CN2CCO[C@H](C)[C@@H]2C)cc1C(C)C ZINC000164189693 622819645 /nfs/dbraw/zinc/81/96/45/622819645.db2.gz DCHJTBQPIAWPSZ-UONOGXRCSA-N 0 1 277.408 3.433 20 10 CGCDMN C[C@@H]1CCC[C@](CNCc2cc(F)ccc2O)([NH+](C)C)C1 ZINC000226585990 622985295 /nfs/dbraw/zinc/98/52/95/622985295.db2.gz HDXUCGZDJZCTBM-DYVFJYSZSA-N 0 1 294.414 3.131 20 10 CGCDMN C[C@@H]1CC([NH2+]Cc2cc(F)ccc2[O-])C[C@@H](C)C1 ZINC000226610409 622986153 /nfs/dbraw/zinc/98/61/53/622986153.db2.gz RTQGGZRLYHXBQT-QWRGUYRKSA-N 0 1 251.345 3.446 20 10 CGCDMN C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226586477 622986853 /nfs/dbraw/zinc/98/68/53/622986853.db2.gz AQKJSTUCCUUWNZ-NEPJUHHUSA-N 0 1 251.345 3.447 20 10 CGCDMN C[C@H](C1CC1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000158075390 623004320 /nfs/dbraw/zinc/00/43/20/623004320.db2.gz HYRDHQJFAICBTO-SECBINFHSA-N 0 1 284.197 3.385 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](N)CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817980994 625633188 /nfs/dbraw/zinc/63/31/88/625633188.db2.gz YUBJWYOTIHCZLI-GZMMTYOYSA-N 0 1 291.222 3.477 20 10 CGCDMN Cc1cccc(CNCc2c(O)cccc2Cl)n1 ZINC000083552045 625645738 /nfs/dbraw/zinc/64/57/38/625645738.db2.gz JOJJRURJKKABRS-UHFFFAOYSA-N 0 1 262.740 3.039 20 10 CGCDMN Cc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)n1 ZINC000083552045 625645751 /nfs/dbraw/zinc/64/57/51/625645751.db2.gz JOJJRURJKKABRS-UHFFFAOYSA-N 0 1 262.740 3.039 20 10 CGCDMN Oc1ccc(F)cc1CN1CCOC2(CCCCC2)C1 ZINC000180200911 624726682 /nfs/dbraw/zinc/72/66/82/624726682.db2.gz BWPZSQZYAXKTHD-UHFFFAOYSA-N 0 1 279.355 3.066 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)C2CCCC2)c1[O-] ZINC000184652747 625258248 /nfs/dbraw/zinc/25/82/48/625258248.db2.gz IVDOTZYACCBTCS-SNVBAGLBSA-N 0 1 279.355 3.402 20 10 CGCDMN C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000756398027 625963725 /nfs/dbraw/zinc/96/37/25/625963725.db2.gz BDELCLBKNLMXTO-ZYHUDNBSSA-N 0 1 269.772 3.265 20 10 CGCDMN Cc1ncc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)o1 ZINC000840794551 626245224 /nfs/dbraw/zinc/24/52/24/626245224.db2.gz LGTJQNZYHQCEKQ-PRHODGIISA-N 0 1 276.311 3.166 20 10 CGCDMN CCOC1(C)CN(Cc2ccc3ccccc3c2O)C1 ZINC000839142363 626323220 /nfs/dbraw/zinc/32/32/20/626323220.db2.gz IRTISABAYYNURR-UHFFFAOYSA-N 0 1 271.360 3.156 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]CC2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756510495 626711157 /nfs/dbraw/zinc/71/11/57/626711157.db2.gz JBGJRUDPXPFGNQ-GXFFZTMASA-N 0 1 279.355 3.096 20 10 CGCDMN CCCCN(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756574881 626717050 /nfs/dbraw/zinc/71/70/50/626717050.db2.gz HAUHZBIYBZYRFI-LBPRGKRZSA-N 0 1 284.831 3.428 20 10 CGCDMN CCc1cc(CN[C@@H](C)c2ccc(C)c(C)c2O)on1 ZINC000756605478 626720048 /nfs/dbraw/zinc/72/00/48/626720048.db2.gz IOERWNXKEUYIRO-LBPRGKRZSA-N 0 1 274.364 3.410 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756676673 626726366 /nfs/dbraw/zinc/72/63/66/626726366.db2.gz MXACUABIOFEWBS-SFTQSGBHSA-N 0 1 293.382 3.484 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000756781389 626732105 /nfs/dbraw/zinc/73/21/05/626732105.db2.gz CPTDDNCISBZLIP-CKYFFXLPSA-N 0 1 269.772 3.264 20 10 CGCDMN C[C@H](Nc1cnn(-c2ccncc2)c1)c1cc(F)ccc1O ZINC000756867303 626738366 /nfs/dbraw/zinc/73/83/66/626738366.db2.gz IDSCEFVCYUZHHJ-NSHDSACASA-N 0 1 298.321 3.285 20 10 CGCDMN COc1cccc(O)c1CN(C)[C@H](C)c1ccco1 ZINC000768263811 627471671 /nfs/dbraw/zinc/47/16/71/627471671.db2.gz WEIBIZJQAFJFDS-LLVKDONJSA-N 0 1 261.321 3.187 20 10 CGCDMN CCC[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000768466244 627481079 /nfs/dbraw/zinc/48/10/79/627481079.db2.gz WHLIHNDVEASLKZ-QGZVFWFLSA-N 0 1 289.419 3.272 20 10 CGCDMN Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000769332250 627542295 /nfs/dbraw/zinc/54/22/95/627542295.db2.gz ZNVAFEOSLMQTHA-CYBMUJFWSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000769332250 627542299 /nfs/dbraw/zinc/54/22/99/627542299.db2.gz ZNVAFEOSLMQTHA-CYBMUJFWSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000769332250 627542302 /nfs/dbraw/zinc/54/23/02/627542302.db2.gz ZNVAFEOSLMQTHA-CYBMUJFWSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000769517129 627562278 /nfs/dbraw/zinc/56/22/78/627562278.db2.gz ZCJBVTNQHLKQFJ-LLVKDONJSA-N 0 1 251.757 3.278 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000769517129 627562281 /nfs/dbraw/zinc/56/22/81/627562281.db2.gz ZCJBVTNQHLKQFJ-LLVKDONJSA-N 0 1 251.757 3.278 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000770286604 627611883 /nfs/dbraw/zinc/61/18/83/627611883.db2.gz RYLUMLXHVXBCBB-SMDDNHRTSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000770286604 627611885 /nfs/dbraw/zinc/61/18/85/627611885.db2.gz RYLUMLXHVXBCBB-SMDDNHRTSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000770371937 627615584 /nfs/dbraw/zinc/61/55/84/627615584.db2.gz CVUZBJLOOAXMHU-OLZOCXBDSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000770371937 627615586 /nfs/dbraw/zinc/61/55/86/627615586.db2.gz CVUZBJLOOAXMHU-OLZOCXBDSA-N 0 1 295.810 3.294 20 10 CGCDMN CCN(C)c1ccc([C@@H](C)NCc2cc(C)ncn2)cc1 ZINC000773105483 627857174 /nfs/dbraw/zinc/85/71/74/627857174.db2.gz HIVDKRAVNYXOSP-CQSZACIVSA-N 0 1 284.407 3.092 20 10 CGCDMN CCN(C)c1ccc(CN2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000773831893 627917673 /nfs/dbraw/zinc/91/76/73/627917673.db2.gz JYWKYTRGKRKJME-BBRMVZONSA-N 0 1 264.388 3.323 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cc(Cl)ccc1[O-] ZINC000775492200 628100269 /nfs/dbraw/zinc/10/02/69/628100269.db2.gz NHVMMIUKKUCYDK-SWLSCSKDSA-N 0 1 296.842 3.428 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000775494074 628101004 /nfs/dbraw/zinc/10/10/04/628101004.db2.gz YCDKTSPKUKTTKW-GXSJLCMTSA-N 0 1 297.704 3.010 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCOC1 ZINC000775653517 628119730 /nfs/dbraw/zinc/11/97/30/628119730.db2.gz JYTRLXIVAPHZFM-SNVBAGLBSA-N 0 1 287.762 3.043 20 10 CGCDMN C[N@@H+](CCOCC1CC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775728373 628129354 /nfs/dbraw/zinc/12/93/54/628129354.db2.gz SMNSLMZMRGQDKF-UHFFFAOYSA-N 0 1 287.762 3.043 20 10 CGCDMN Cc1cc([C@H]2CCCN2Cc2cc(F)ccc2O)on1 ZINC000779000162 628382748 /nfs/dbraw/zinc/38/27/48/628382748.db2.gz QVVVJEYQGGVECY-CYBMUJFWSA-N 0 1 276.311 3.165 20 10 CGCDMN CN(C)c1ccc(CN(Cc2cncc(F)c2)C2CC2)cc1 ZINC000779154386 628390757 /nfs/dbraw/zinc/39/07/57/628390757.db2.gz UBFGCZACYDQLOQ-UHFFFAOYSA-N 0 1 299.393 3.451 20 10 CGCDMN COc1cccc2c1CCN(Cc1ccc(N(C)C)cc1)C2 ZINC000783595168 628730197 /nfs/dbraw/zinc/73/01/97/628730197.db2.gz PLNLHHRBIHILHK-UHFFFAOYSA-N 0 1 296.414 3.320 20 10 CGCDMN C[C@@H](N[C@H](C)c1ccc2ccccc2c1O)c1ncnn1C ZINC000788983256 629093845 /nfs/dbraw/zinc/09/38/45/629093845.db2.gz KYYZRRZIRLPASY-VXGBXAGGSA-N 0 1 296.374 3.086 20 10 CGCDMN Cc1ccc(C[N@H+](C)Cc2cccc(Cl)c2[O-])nc1 ZINC000789595554 629149552 /nfs/dbraw/zinc/14/95/52/629149552.db2.gz VKFDBWNKQYDVSC-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN CCOc1ccc(CN2CCO[C@H](C(C)(C)C)C2)c(O)c1 ZINC000790930744 629241320 /nfs/dbraw/zinc/24/13/20/629241320.db2.gz HYFNOEGEXHAOPK-INIZCTEOSA-N 0 1 293.407 3.038 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000792169949 629343793 /nfs/dbraw/zinc/34/37/93/629343793.db2.gz NTECQAKNQLJWIB-SNVBAGLBSA-N 0 1 269.747 3.417 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1Cl ZINC000862516886 629390339 /nfs/dbraw/zinc/39/03/39/629390339.db2.gz ANIUTYZCCZROFV-VEABSNGSSA-N 0 1 283.799 3.256 20 10 CGCDMN Cc1ccc(O)c(CN2CCOc3cc(F)ccc3C2)c1 ZINC000862550326 629400970 /nfs/dbraw/zinc/40/09/70/629400970.db2.gz LGALJYRBYZMWID-UHFFFAOYSA-N 0 1 287.334 3.234 20 10 CGCDMN 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C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC[C@@]1(C)O ZINC001231586699 818129093 /nfs/dbraw/zinc/12/90/93/818129093.db2.gz LACNTBVLZSMNJU-SCLBCKFNSA-N 0 1 285.387 3.138 20 10 CGCDMN Oc1ccc2ccccc2c1CN1Cc2ccncc2C1 ZINC001231590149 818130357 /nfs/dbraw/zinc/13/03/57/818130357.db2.gz MRKPBAAIJMOJGU-UHFFFAOYSA-N 0 1 276.339 3.456 20 10 CGCDMN COc1cc(F)ccc1CN1CCc2cccc(O)c2C1 ZINC001231604419 818136954 /nfs/dbraw/zinc/13/69/54/818136954.db2.gz AGMLQWNWWZLRCO-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN CSCC[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870009 818193655 /nfs/dbraw/zinc/19/36/55/818193655.db2.gz FUWGZZBVGSZQDN-UHFFFAOYSA-N 0 1 259.802 3.149 20 10 CGCDMN CSCC[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870009 818193660 /nfs/dbraw/zinc/19/36/60/818193660.db2.gz FUWGZZBVGSZQDN-UHFFFAOYSA-N 0 1 259.802 3.149 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc1Cl ZINC001231868819 818194108 /nfs/dbraw/zinc/19/41/08/818194108.db2.gz ZBCZDJTXSLNATM-BLLLJJGKSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc1Cl ZINC001231868819 818194110 /nfs/dbraw/zinc/19/41/10/818194110.db2.gz ZBCZDJTXSLNATM-BLLLJJGKSA-N 0 1 295.810 3.355 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCCC1=O ZINC001231879340 818199936 /nfs/dbraw/zinc/19/99/36/818199936.db2.gz BXMNJPGJXYALBH-CYBMUJFWSA-N 0 1 283.371 3.346 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCCC1=O ZINC001231879340 818199938 /nfs/dbraw/zinc/19/99/38/818199938.db2.gz BXMNJPGJXYALBH-CYBMUJFWSA-N 0 1 283.371 3.346 20 10 CGCDMN [O-]c1cc(O)c(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1Cl ZINC001232259561 818295664 /nfs/dbraw/zinc/29/56/64/818295664.db2.gz LBKUJTOXPRQZSB-PHIMTYICSA-N 0 1 281.783 3.373 20 10 CGCDMN [O-]c1cc(O)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1Cl ZINC001232259561 818295666 /nfs/dbraw/zinc/29/56/66/818295666.db2.gz LBKUJTOXPRQZSB-PHIMTYICSA-N 0 1 281.783 3.373 20 10 CGCDMN C[N@H+](Cc1cc(Cl)c([O-])cc1O)C1CCCC1 ZINC001232267780 818297058 /nfs/dbraw/zinc/29/70/58/818297058.db2.gz LWIQPUBZEUYKDJ-UHFFFAOYSA-N 0 1 255.745 3.126 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)c([O-])cc1O)C1CCCC1 ZINC001232267780 818297061 /nfs/dbraw/zinc/29/70/61/818297061.db2.gz LWIQPUBZEUYKDJ-UHFFFAOYSA-N 0 1 255.745 3.126 20 10 CGCDMN C[C@@H]1CCN(Cc2ccc(F)c(F)c2O)CC1(F)F ZINC001233074871 818516793 /nfs/dbraw/zinc/51/67/93/818516793.db2.gz ZDDCCEFRVVPOEF-MRVPVSSYSA-N 0 1 277.261 3.148 20 10 CGCDMN Oc1c(CN2CC[C@@H](CF)C(F)(F)C2)ccc(F)c1F ZINC001233074720 818517911 /nfs/dbraw/zinc/51/79/11/818517911.db2.gz UTCIGMMMRGCCKY-VIFPVBQESA-N 0 1 295.251 3.097 20 10 CGCDMN CN(Cc1cnn(C)c1)Cc1cc(C(C)(C)C)ccc1O ZINC001233283459 818565564 /nfs/dbraw/zinc/56/55/64/818565564.db2.gz HRYFELMVVUUTDK-UHFFFAOYSA-N 0 1 287.407 3.055 20 10 CGCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001233331531 818582413 /nfs/dbraw/zinc/58/24/13/818582413.db2.gz AANNAHBDIAEBSW-AWEZNQCLSA-N 0 1 290.313 3.403 20 10 CGCDMN CCOC1CN(Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234990689 818969313 /nfs/dbraw/zinc/96/93/13/818969313.db2.gz JQBMAQBIUKLLHG-UHFFFAOYSA-N 0 1 283.371 3.280 20 10 CGCDMN CC(C)(C)c1ccc(CN2CCCCC23COC3)c(O)c1 ZINC001235686231 819141915 /nfs/dbraw/zinc/14/19/15/819141915.db2.gz YUJWYYCYRVIWGT-UHFFFAOYSA-N 0 1 289.419 3.445 20 10 CGCDMN C[C@H]1CC[C@@H]([NH3+])CN1Cc1c([O-])ccc(Cl)c1Cl ZINC001235891838 819200680 /nfs/dbraw/zinc/20/06/80/819200680.db2.gz JTKAJAOXVYHJPU-DTWKUNHWSA-N 0 1 289.206 3.011 20 10 CGCDMN CCc1ccc(CN2CC[C@@](C)(F)[C@H](F)C2)c(O)c1 ZINC001236783899 819593353 /nfs/dbraw/zinc/59/33/53/819593353.db2.gz PNWLEEMILXTQLF-HUUCEWRRSA-N 0 1 269.335 3.227 20 10 CGCDMN CCN(Cc1ccc(OC)c(Cl)c1O)CC(F)(F)F ZINC001236807880 819602264 /nfs/dbraw/zinc/60/22/64/819602264.db2.gz VFOLVGNCPUNQDG-UHFFFAOYSA-N 0 1 297.704 3.438 20 10 CGCDMN COc1cc([O-])c(C[NH+]2C3CCC2CC3)c(Cl)c1 ZINC001236804543 819602805 /nfs/dbraw/zinc/60/28/05/819602805.db2.gz VXVMQKQINFEXPQ-UHFFFAOYSA-N 0 1 267.756 3.181 20 10 CGCDMN CC(C)OC1CN(Cc2cc3ccccc3cc2O)C1 ZINC001236837636 819616339 /nfs/dbraw/zinc/61/63/39/819616339.db2.gz SBJFCJNQFYPFDL-UHFFFAOYSA-N 0 1 271.360 3.155 20 10 CGCDMN Oc1cccc(OC(F)(F)F)c1CN1CCC[C@H]2C[C@H]21 ZINC001237115999 819671475 /nfs/dbraw/zinc/67/14/75/819671475.db2.gz VTELQJDJXIOLJW-GXSJLCMTSA-N 0 1 287.281 3.275 20 10 CGCDMN CC1CC([N@H+](C)Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237121482 819673108 /nfs/dbraw/zinc/67/31/08/819673108.db2.gz OIMKEXCQPPSBAC-UHFFFAOYSA-N 0 1 257.736 3.415 20 10 CGCDMN CC1CC([N@@H+](C)Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237121482 819673110 /nfs/dbraw/zinc/67/31/10/819673110.db2.gz OIMKEXCQPPSBAC-UHFFFAOYSA-N 0 1 257.736 3.415 20 10 CGCDMN CC(C)O[C@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237127870 819675007 /nfs/dbraw/zinc/67/50/07/819675007.db2.gz HBOWLXDJNHIDMH-JTQLQIEISA-N 0 1 287.762 3.184 20 10 CGCDMN CC(C)O[C@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237127870 819675011 /nfs/dbraw/zinc/67/50/11/819675011.db2.gz HBOWLXDJNHIDMH-JTQLQIEISA-N 0 1 287.762 3.184 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCc2occc2C1 ZINC001237622297 819788128 /nfs/dbraw/zinc/78/81/28/819788128.db2.gz PXFLUVHGODXFSY-UHFFFAOYSA-N 0 1 281.714 3.336 20 10 CGCDMN Oc1ccc(-c2ccc(F)cc2)cc1CN1C[C@@H]2C[C@H]1CO2 ZINC001237648223 819797655 /nfs/dbraw/zinc/79/76/55/819797655.db2.gz YOZWQSHWSKZCMC-IRXDYDNUSA-N 0 1 299.345 3.171 20 10 CGCDMN CCCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237686228 819806670 /nfs/dbraw/zinc/80/66/70/819806670.db2.gz GTGKROWFQRRGDJ-CQSZACIVSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc(Cl)cc(CN2CCC[C@@H]2CF)c1O ZINC001237688931 819809589 /nfs/dbraw/zinc/80/95/89/819809589.db2.gz LHKTWBRVENVCKX-GFCCVEGCSA-N 0 1 257.736 3.288 20 10 CGCDMN C[N@H+](Cc1cc(F)cc(Cl)c1[O-])CC1CCC1 ZINC001237798251 819844256 /nfs/dbraw/zinc/84/42/56/819844256.db2.gz CFUFNLPDMCCNKM-UHFFFAOYSA-N 0 1 257.736 3.417 20 10 CGCDMN CO[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001347393981 936882535 /nfs/dbraw/zinc/88/25/35/936882535.db2.gz FWFZQYCHWXABOM-NWDGAFQWSA-N 0 1 269.772 3.011 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1[O-] ZINC001307842792 933006778 /nfs/dbraw/zinc/00/67/78/933006778.db2.gz JEOVFULBRWYPJU-CYBMUJFWSA-N 0 1 291.366 3.356 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C3CCC3)C2)c1[O-] ZINC001307842792 933006783 /nfs/dbraw/zinc/00/67/83/933006783.db2.gz JEOVFULBRWYPJU-CYBMUJFWSA-N 0 1 291.366 3.356 20 10 CGCDMN Cc1cc(O)c(CN2C[C@@H](C)OC3(CCC3)C2)c(Cl)c1 ZINC001308847979 933189567 /nfs/dbraw/zinc/18/95/67/933189567.db2.gz HNQWNYANSPHSPI-GFCCVEGCSA-N 0 1 295.810 3.497 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC001308940769 933209038 /nfs/dbraw/zinc/20/90/38/933209038.db2.gz IFCPUZZKARHCAX-CQSZACIVSA-N 0 1 295.810 3.485 20 10 CGCDMN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc(F)c1O ZINC001308976606 933218733 /nfs/dbraw/zinc/21/87/33/933218733.db2.gz XTWQICHFTIJXTD-UHFFFAOYSA-N 0 1 281.714 3.180 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001324275759 934480132 /nfs/dbraw/zinc/48/01/32/934480132.db2.gz VCKDCUUMSXKPNA-ZUZCIYMTSA-N 0 1 299.773 3.186 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCS[C@@H]2C)cc1Cl ZINC001327892197 935095853 /nfs/dbraw/zinc/09/58/53/935095853.db2.gz OVYPVLQEIZXBDR-BXKDBHETSA-N 0 1 271.813 3.338 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCS[C@H]2C)cc1Cl ZINC001327892202 935095870 /nfs/dbraw/zinc/09/58/70/935095870.db2.gz OVYPVLQEIZXBDR-JOYOIKCWSA-N 0 1 271.813 3.338 20 10 CGCDMN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1nnc(C2CC2)[nH]1 ZINC001330716987 935316490 /nfs/dbraw/zinc/31/64/90/935316490.db2.gz YUSLHMVYYQHWKT-JQWIXIFHSA-N 0 1 298.390 3.034 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCC(F)F)c(Cl)c1 ZINC001333734430 936060168 /nfs/dbraw/zinc/06/01/68/936060168.db2.gz RRULHRGBXGHBDM-UHFFFAOYSA-N 0 1 263.715 3.489 20 10 CGCDMN C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001474582937 937868316 /nfs/dbraw/zinc/86/83/16/937868316.db2.gz TXEGEZWFJBSIRR-VIFPVBQESA-N 0 1 255.308 3.291 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1C(=O)[O-] ZINC001603462021 973311851 /nfs/dbraw/zinc/31/18/51/973311851.db2.gz XCLOWIKCIKMXDR-DOMZBBRYSA-N 0 1 299.370 3.088 20 10 CGCDMN Cc1cccc(CNCc2ccc(N(C)C)cc2)c1F ZINC000294785000 372671587 /nfs/dbraw/zinc/67/15/87/372671587.db2.gz OAIIGJGGEJENJY-UHFFFAOYSA-N 0 1 272.367 3.490 20 10 CGCDMN CCOc1cccc(C[N@H+]2CC[C@H](OC)C(C)(C)C2)c1O ZINC000295116442 372693559 /nfs/dbraw/zinc/69/35/59/372693559.db2.gz WUERQNMGNBESEF-HNNXBMFYSA-N 0 1 293.407 3.038 20 10 CGCDMN CCn1ccnc1CN[C@H](C)c1c(C)cc(C)cc1O ZINC000296632043 373201379 /nfs/dbraw/zinc/20/13/79/373201379.db2.gz XLGAEKHOIVSULR-CYBMUJFWSA-N 0 1 273.380 3.076 20 10 CGCDMN C[C@H](CCO)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000297338799 373265308 /nfs/dbraw/zinc/26/53/08/373265308.db2.gz OINWYPUSZQNBSI-QWRGUYRKSA-N 0 1 271.788 3.105 20 10 CGCDMN CO[C@H](C[N@@H+](C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000528419839 375901976 /nfs/dbraw/zinc/90/19/76/375901976.db2.gz QQFOXFZAUVOUER-QGZVFWFLSA-N 0 1 289.350 3.351 20 10 CGCDMN CC[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1[O-] ZINC000530219362 375939753 /nfs/dbraw/zinc/93/97/53/375939753.db2.gz ZYFBWFURYPPPSZ-KBPBESRZSA-N 0 1 294.826 3.371 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CC[C@H](C)C[C@@H]2C)cc1OC ZINC000271752135 378502432 /nfs/dbraw/zinc/50/24/32/378502432.db2.gz VZWDBXZZRZTXTE-RYUDHWBXSA-N 0 1 279.380 3.030 20 10 CGCDMN CCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273561321 378752365 /nfs/dbraw/zinc/75/23/65/378752365.db2.gz IDCQNGXMTDBBEV-QMTHXVAHSA-N 0 1 271.788 3.247 20 10 CGCDMN C[C@H]([NH2+]CC1(CCO)CCCC1)c1cc(F)ccc1[O-] ZINC000273590436 378754467 /nfs/dbraw/zinc/75/44/67/378754467.db2.gz OZNQDGMZDMMISN-LBPRGKRZSA-N 0 1 281.371 3.125 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375321330 379493843 /nfs/dbraw/zinc/49/38/43/379493843.db2.gz PRHHDXQJFMLFSD-TZMCWYRMSA-N 0 1 299.773 3.328 20 10 CGCDMN CCCC[N@@H+](CCOCC)Cc1ccccc1O ZINC000282326484 379899110 /nfs/dbraw/zinc/89/91/10/379899110.db2.gz ANKFOWYHJVLHMI-UHFFFAOYSA-N 0 1 251.370 3.031 20 10 CGCDMN CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000193454503 392877762 /nfs/dbraw/zinc/87/77/62/392877762.db2.gz QISKVPSJTVDPTM-GOSISDBHSA-N 0 1 281.403 3.485 20 10 CGCDMN CCOc1cccc(C[N@H+]2CCC[C@](C)(OC)CC2)c1O ZINC000280239751 393340382 /nfs/dbraw/zinc/34/03/82/393340382.db2.gz KLGCXXAELVLYEQ-KRWDZBQOSA-N 0 1 293.407 3.182 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C)C2CC2)c1[O-] ZINC000037328734 173129255 /nfs/dbraw/zinc/12/92/55/173129255.db2.gz IDYBBAFYRDOUHI-SECBINFHSA-N 0 1 281.783 3.479 20 10 CGCDMN CCC[N@@H+](Cc1ccccn1)Cc1ccccc1O ZINC000160159489 261206951 /nfs/dbraw/zinc/20/69/51/261206951.db2.gz YEYZLOSQSCTRDC-UHFFFAOYSA-N 0 1 256.349 3.199 20 10 CGCDMN CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000185059686 262039415 /nfs/dbraw/zinc/03/94/15/262039415.db2.gz LPNWHRSWTWJGJD-NWDGAFQWSA-N 0 1 282.815 3.038 20 10 CGCDMN C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000185512756 262058211 /nfs/dbraw/zinc/05/82/11/262058211.db2.gz IDMIATRUMMIRGS-OTYXRUKQSA-N 0 1 297.807 3.491 20 10 CGCDMN CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186174934 262082956 /nfs/dbraw/zinc/08/29/56/262082956.db2.gz CZIJLTMOEBMDTO-NHYWBVRUSA-N 0 1 283.387 3.225 20 10 CGCDMN CC(C)OCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186634535 262103207 /nfs/dbraw/zinc/10/32/07/262103207.db2.gz HJQXLNBNZBADPF-SNVBAGLBSA-N 0 1 257.761 3.121 20 10 CGCDMN CS[C@@H]1CCCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272440190 263004388 /nfs/dbraw/zinc/00/43/88/263004388.db2.gz OMOCKWZSOBZPGU-GFCCVEGCSA-N 0 1 269.385 3.249 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)CCN(C)C)c1cccc(Cl)c1[O-] ZINC000287617021 288058826 /nfs/dbraw/zinc/05/88/26/288058826.db2.gz JQOCWWBOVUARAG-FZMZJTMJSA-N 0 1 284.831 3.427 20 10 CGCDMN CCC[C@@]1(CO)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000377839680 329031462 /nfs/dbraw/zinc/03/14/62/329031462.db2.gz LHIMXZRHHRPTOC-OAHLLOKOSA-N 0 1 283.799 3.030 20 10 CGCDMN CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000527802028 330284261 /nfs/dbraw/zinc/28/42/61/330284261.db2.gz YQAAZRDZFPQGAJ-KGLIPLIRSA-N 0 1 269.772 3.091 20 10 CGCDMN CC(C)[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000271492092 519827882 /nfs/dbraw/zinc/82/78/82/519827882.db2.gz JMOOGMPQYITYCX-IAQYHMDHSA-N 0 1 283.799 3.339 20 10 CGCDMN CCN(C)c1ccc([C@@H](C)NCc2snnc2C)cc1 ZINC000293246184 520287719 /nfs/dbraw/zinc/28/77/19/520287719.db2.gz BKRHTDNEURDELH-LLVKDONJSA-N 0 1 290.436 3.153 20 10 CGCDMN CC[C@H](NCc1cc(C)no1)c1ccc(N(C)C)cc1 ZINC000125591453 522642368 /nfs/dbraw/zinc/64/23/68/522642368.db2.gz VJYSVRZJDPICTA-INIZCTEOSA-N 0 1 273.380 3.290 20 10 CGCDMN C[Si](C)(C)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000731845335 572429337 /nfs/dbraw/zinc/42/93/37/572429337.db2.gz XPKRGFFNHHJBEN-OAHLLOKOSA-N 0 1 293.483 3.251 20 10 CGCDMN C[C@H]1SCC[N@@H+](Cc2c(O)ccc3ccncc32)[C@H]1C ZINC000735668554 572737106 /nfs/dbraw/zinc/73/71/06/572737106.db2.gz VDEIYWXOAUYGAG-NWDGAFQWSA-N 0 1 288.416 3.266 20 10 CGCDMN C[C@H]1SCC[N@H+](Cc2c([O-])ccc3ccncc32)[C@H]1C ZINC000735668554 572737110 /nfs/dbraw/zinc/73/71/10/572737110.db2.gz VDEIYWXOAUYGAG-NWDGAFQWSA-N 0 1 288.416 3.266 20 10 CGCDMN C[C@H]1SCC[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H]1C ZINC000735668554 572737114 /nfs/dbraw/zinc/73/71/14/572737114.db2.gz VDEIYWXOAUYGAG-NWDGAFQWSA-N 0 1 288.416 3.266 20 10 CGCDMN CO[C@@]1(C)C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1(C)C ZINC000744448315 572754168 /nfs/dbraw/zinc/75/41/68/572754168.db2.gz IBYQQUHVMDVKPH-HIFRSBDPSA-N 0 1 283.799 3.339 20 10 CGCDMN CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000749287513 572991588 /nfs/dbraw/zinc/99/15/88/572991588.db2.gz JRDTYQALOSYFRI-UHFFFAOYSA-N 0 1 299.798 3.257 20 10 CGCDMN C/C(=C/C[N@@H+](Cc1ccccc1O)C1CCCC1)C(=O)[O-] ZINC000825729820 601166490 /nfs/dbraw/zinc/16/64/90/601166490.db2.gz NCGUUXGFJVYNOC-RAXLEYEMSA-N 0 1 289.375 3.168 20 10 CGCDMN C[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccccc1O ZINC000818071710 601761739 /nfs/dbraw/zinc/76/17/39/601761739.db2.gz VTRVYMKDYXCTCL-ZDUSSCGKSA-N 0 1 285.343 3.040 20 10 CGCDMN CCC(C)(C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000076398824 617968484 /nfs/dbraw/zinc/96/84/84/617968484.db2.gz ZPTRBJLZXCNXIX-UHFFFAOYSA-N 0 1 272.186 3.433 20 10 CGCDMN COCC[C@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000840836250 618155802 /nfs/dbraw/zinc/15/58/02/618155802.db2.gz WLVJGKRULQHRPR-WDEREUQCSA-N 0 1 271.788 3.369 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])[C@H]1C ZINC000245689742 618166144 /nfs/dbraw/zinc/16/61/44/618166144.db2.gz AQBPSBYJGNQYFP-ZJUUUORDSA-N 0 1 284.197 3.385 20 10 CGCDMN COc1ccc(C[N@H+]2CCCCC[C@H]2C)c(O)c1OC ZINC000892035521 618498669 /nfs/dbraw/zinc/49/86/69/618498669.db2.gz BEPWQTKVGJRYFF-GFCCVEGCSA-N 0 1 279.380 3.174 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])[C@@H](C)C1 ZINC000310601834 618813477 /nfs/dbraw/zinc/81/34/77/618813477.db2.gz BPYCOEZNGJWADE-GXFFZTMASA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@@H](C)C1 ZINC000310601834 618813479 /nfs/dbraw/zinc/81/34/79/618813479.db2.gz BPYCOEZNGJWADE-GXFFZTMASA-N 0 1 269.772 3.045 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000840895572 618961760 /nfs/dbraw/zinc/96/17/60/618961760.db2.gz NVEVFTNEYMYYGC-GVXVVHGQSA-N 0 1 283.799 3.247 20 10 CGCDMN C[C@H]1SCC[C@@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000309814303 618963267 /nfs/dbraw/zinc/96/32/67/618963267.db2.gz AIPNUMUZPZQPHJ-KCJUWKMLSA-N 0 1 257.786 3.029 20 10 CGCDMN CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775634248 619082213 /nfs/dbraw/zinc/08/22/13/619082213.db2.gz QDTAJUSEMBZZKL-GFCCVEGCSA-N 0 1 287.762 3.186 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CC[C@H](C)O2)c(Cl)c1 ZINC000840953509 619256704 /nfs/dbraw/zinc/25/67/04/619256704.db2.gz TUKRISJEMZAQPL-WDEREUQCSA-N 0 1 269.772 3.011 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000894789857 619632011 /nfs/dbraw/zinc/63/20/11/619632011.db2.gz LHACLHPUJBSWSI-DZGCQCFKSA-N 0 1 297.345 3.060 20 10 CGCDMN C[N@H+](Cc1ccns1)Cc1cc(Cl)cc(F)c1[O-] ZINC000895453210 619829899 /nfs/dbraw/zinc/82/98/99/619829899.db2.gz FUJDIBWNWQWMHL-UHFFFAOYSA-N 0 1 286.759 3.273 20 10 CGCDMN C[N@@H+](Cc1ccns1)Cc1cc(Cl)cc(F)c1[O-] ZINC000895453210 619829901 /nfs/dbraw/zinc/82/99/01/619829901.db2.gz FUJDIBWNWQWMHL-UHFFFAOYSA-N 0 1 286.759 3.273 20 10 CGCDMN Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841746197 620352049 /nfs/dbraw/zinc/35/20/49/620352049.db2.gz CXEHJCGYPKGZSG-ZJUUUORDSA-N 0 1 293.798 3.499 20 10 CGCDMN Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841746195 620352373 /nfs/dbraw/zinc/35/23/73/620352373.db2.gz CXEHJCGYPKGZSG-UWVGGRQHSA-N 0 1 293.798 3.499 20 10 CGCDMN C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(Cl)cc1[O-] ZINC000841757395 620404352 /nfs/dbraw/zinc/40/43/52/620404352.db2.gz GCJTXKZMFQNWLR-QMTHXVAHSA-N 0 1 269.772 3.265 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)NCc2csc(N)n2)c1O ZINC000902501004 621347220 /nfs/dbraw/zinc/34/72/20/621347220.db2.gz ZEDQEDCLQITTKP-MRVPVSSYSA-N 0 1 297.811 3.244 20 10 CGCDMN C[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(Cl)cc1[O-] ZINC000903273979 621658185 /nfs/dbraw/zinc/65/81/85/621658185.db2.gz GZZDCZHRSZVJKA-JTQLQIEISA-N 0 1 297.761 3.062 20 10 CGCDMN CC[C@H]([NH2+]CC[C@H](O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903406194 621729881 /nfs/dbraw/zinc/72/98/81/621729881.db2.gz HIFBYHMPDRUOOI-KBPBESRZSA-N 0 1 283.799 3.247 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1Cc2ccccc2C1 ZINC000231032251 623292390 /nfs/dbraw/zinc/29/23/90/623292390.db2.gz MBMRODWPWOFPQE-UHFFFAOYSA-N 0 1 273.763 3.303 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCN1CCCCCC1 ZINC000083551693 625644874 /nfs/dbraw/zinc/64/48/74/625644874.db2.gz CWQNQPYKELPJSW-UHFFFAOYSA-N 0 1 282.815 3.011 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2nc(C)c(C)s2)c1 ZINC000182371185 624992126 /nfs/dbraw/zinc/99/21/26/624992126.db2.gz OBMSZLNXZWFSLB-SNVBAGLBSA-N 0 1 292.404 3.325 20 10 CGCDMN CCN(C)c1ccc([C@H](C)N[C@H](C)c2ccn(C)n2)cc1 ZINC000840816447 626274581 /nfs/dbraw/zinc/27/45/81/626274581.db2.gz NIQVOKIDNNFYGY-UONOGXRCSA-N 0 1 286.423 3.288 20 10 CGCDMN Oc1cccc(Cl)c1CN1CC(CC(F)(F)F)C1 ZINC000839138031 626322414 /nfs/dbraw/zinc/32/24/14/626322414.db2.gz LBZPPZQYNRROEG-UHFFFAOYSA-N 0 1 279.689 3.430 20 10 CGCDMN CC[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804871612 626359371 /nfs/dbraw/zinc/35/93/71/626359371.db2.gz OELPHZHBIHZNQK-ZETCQYMHSA-N 0 1 291.178 3.297 20 10 CGCDMN CCCN1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756359022 626695862 /nfs/dbraw/zinc/69/58/62/626695862.db2.gz CCAHJEXPLPSPNN-LLVKDONJSA-N 0 1 298.377 3.195 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000756384718 626699397 /nfs/dbraw/zinc/69/93/97/626699397.db2.gz OFJJPMQTEMZKRC-NOZJJQNGSA-N 0 1 281.739 3.023 20 10 CGCDMN CCc1cc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)on1 ZINC000756604035 626720014 /nfs/dbraw/zinc/72/00/14/626720014.db2.gz CPUFTIAWMSXJMU-ZANVPECISA-N 0 1 290.338 3.420 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCCO)c2c1c(F)ccc2[O-] ZINC000756665925 626726018 /nfs/dbraw/zinc/72/60/18/626726018.db2.gz WKBFIPDTVIGQCA-YPMHNXCESA-N 0 1 295.398 3.468 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCC2)c2c1c(F)ccc2[O-] ZINC000756765948 626730085 /nfs/dbraw/zinc/73/00/85/626730085.db2.gz TWQRUKNARIRJHH-DGCLKSJQSA-N 0 1 293.382 3.222 20 10 CGCDMN CO[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000756836067 626736062 /nfs/dbraw/zinc/73/60/62/626736062.db2.gz SCVZXSCHKFEWAR-CPCISQLKSA-N 0 1 297.704 3.274 20 10 CGCDMN COc1cc(Cl)cc(C[N@H+]2CCC2(C)C)c1O ZINC000761203611 627024711 /nfs/dbraw/zinc/02/47/11/627024711.db2.gz WRNYSCPYSPKGKN-UHFFFAOYSA-N 0 1 255.745 3.039 20 10 CGCDMN CC1(C)CCCN(CC[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000767737502 627433499 /nfs/dbraw/zinc/43/34/99/627433499.db2.gz HOEKCUWGXXYTEP-UHFFFAOYSA-N 0 1 296.842 3.257 20 10 CGCDMN CCN(CC)c1ccc(CN(C)Cc2c[nH]nc2C)cc1 ZINC000768211795 627468995 /nfs/dbraw/zinc/46/89/95/627468995.db2.gz DMRQWLDUVRAOAQ-UHFFFAOYSA-N 0 1 286.423 3.196 20 10 CGCDMN CCOc1ccc(CN2CCc3sccc3C2)c(O)c1 ZINC000768227632 627469260 /nfs/dbraw/zinc/46/92/60/627469260.db2.gz STAUHTOKAXLXKV-UHFFFAOYSA-N 0 1 289.400 3.411 20 10 CGCDMN C[C@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000768230182 627470054 /nfs/dbraw/zinc/47/00/54/627470054.db2.gz RIFDRIPHIHUSIE-AWEZNQCLSA-N 0 1 283.371 3.280 20 10 CGCDMN CN(Cc1ccoc1)Cc1cc(Br)ccc1O ZINC000769003296 627515398 /nfs/dbraw/zinc/51/53/98/627515398.db2.gz FIFIWSNDHJKBNX-UHFFFAOYSA-N 0 1 296.164 3.380 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000769330938 627542609 /nfs/dbraw/zinc/54/26/09/627542609.db2.gz SCXMHNSAHQPLJH-ZDUSSCGKSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000769330938 627542611 /nfs/dbraw/zinc/54/26/11/627542611.db2.gz SCXMHNSAHQPLJH-ZDUSSCGKSA-N 0 1 251.757 3.420 20 10 CGCDMN CCN(CC)c1ccc(CN2CCO[C@@H](C)[C@@H]2C)cc1 ZINC000769421592 627551021 /nfs/dbraw/zinc/55/10/21/627551021.db2.gz AXXHNBGPTIACPV-GJZGRUSLSA-N 0 1 276.424 3.142 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000769427847 627551687 /nfs/dbraw/zinc/55/16/87/627551687.db2.gz PTNFJTRPCGGCIK-UHFFFAOYSA-N 0 1 291.782 3.148 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000769927663 627590420 /nfs/dbraw/zinc/59/04/20/627590420.db2.gz HXAFWJLBTBGOPY-UHFFFAOYSA-N 0 1 289.762 3.366 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)c2c1c(F)ccc2[O-] ZINC000769995766 627596316 /nfs/dbraw/zinc/59/63/16/627596316.db2.gz KRGNODXIFAUYGE-WCQYABFASA-N 0 1 293.382 3.222 20 10 CGCDMN Cc1ncc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000771791274 627731890 /nfs/dbraw/zinc/73/18/90/627731890.db2.gz LASQWPWBZVTBBJ-UHFFFAOYSA-N 0 1 296.418 3.016 20 10 CGCDMN CC[C@H]([NH2+]CCN(C)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775499832 628101398 /nfs/dbraw/zinc/10/13/98/628101398.db2.gz FWKYREGKENECBU-AWEZNQCLSA-N 0 1 284.831 3.427 20 10 CGCDMN CC[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775501840 628102113 /nfs/dbraw/zinc/10/21/13/628102113.db2.gz LVAFRTFHMQMCCB-IUODEOHRSA-N 0 1 294.826 3.323 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](C)C[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000775510274 628102673 /nfs/dbraw/zinc/10/26/73/628102673.db2.gz ZKSKMBZGFUORCB-WDMOLILDSA-N 0 1 285.815 3.493 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN[C@H](c1nccn1C)C1CC1 ZINC000775635293 628117775 /nfs/dbraw/zinc/11/77/75/628117775.db2.gz VHUYVCUTJXARBT-KRWDZBQOSA-N 0 1 298.434 3.035 20 10 CGCDMN CC[C@H]1CO[C@H](C)CN1Cc1cc(Cl)cc(F)c1O ZINC000775641490 628118537 /nfs/dbraw/zinc/11/85/37/628118537.db2.gz AYWGHHDPFCVJFD-SKDRFNHKSA-N 0 1 287.762 3.184 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCSC1 ZINC000775648701 628118899 /nfs/dbraw/zinc/11/88/99/628118899.db2.gz HTBYACYGZFDCPR-JTQLQIEISA-N 0 1 275.776 3.122 20 10 CGCDMN CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775737918 628131328 /nfs/dbraw/zinc/13/13/28/628131328.db2.gz VKDDILWLNXPYQM-VIFPVBQESA-N 0 1 257.736 3.417 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000777439771 628270255 /nfs/dbraw/zinc/27/02/55/628270255.db2.gz LXIFWDVASFNWOL-HNNXBMFYSA-N 0 1 295.810 3.437 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)c2c1c(F)ccc2[O-] ZINC000779088336 628388247 /nfs/dbraw/zinc/38/82/47/628388247.db2.gz MSAMHKNJIATQPW-OXHZDVMGSA-N 0 1 293.382 3.220 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1CCO ZINC000779202606 628394257 /nfs/dbraw/zinc/39/42/57/628394257.db2.gz QGBXFMZUUNJRMQ-LLVKDONJSA-N 0 1 290.190 3.046 20 10 CGCDMN CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000787994261 629038417 /nfs/dbraw/zinc/03/84/17/629038417.db2.gz FGXYBHIYTFDXJI-ABAIWWIYSA-N 0 1 279.355 3.402 20 10 CGCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1cn2ccccc2n1 ZINC000788502181 629060149 /nfs/dbraw/zinc/06/01/49/629060149.db2.gz HCJGBBPEWVOURX-CQSZACIVSA-N 0 1 294.402 3.251 20 10 CGCDMN C[N@H+](Cc1c([O-])cccc1Br)C1CCC1 ZINC000862246414 629329971 /nfs/dbraw/zinc/32/99/71/629329971.db2.gz OCUAJJINPFJIPW-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN C[N@@H+](Cc1c([O-])cccc1Br)C1CCC1 ZINC000862246414 629329973 /nfs/dbraw/zinc/32/99/73/629329973.db2.gz OCUAJJINPFJIPW-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN C[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@H]1CCCCO1 ZINC000792166894 629343930 /nfs/dbraw/zinc/34/39/30/629343930.db2.gz ILURTYOTJXEMIO-SNVBAGLBSA-N 0 1 287.762 3.186 20 10 CGCDMN Cc1cc(Br)cc(CN2[C@H](C)C[C@@H]2C)c1O ZINC000793221646 629427181 /nfs/dbraw/zinc/42/71/81/629427181.db2.gz YKGDSXRWGVLHDX-AOOOYVTPSA-N 0 1 284.197 3.446 20 10 CGCDMN CCOc1cccc(CN(C)Cc2cnccc2C)c1O ZINC000793339474 629445090 /nfs/dbraw/zinc/44/50/90/629445090.db2.gz LJELRUXLOCHZSY-UHFFFAOYSA-N 0 1 286.375 3.126 20 10 CGCDMN CCn1ncnc1CN[C@H](C)c1ccc2ccccc2c1O ZINC000794841605 629586958 /nfs/dbraw/zinc/58/69/58/629586958.db2.gz NHUOCGPDKPRVRS-GFCCVEGCSA-N 0 1 296.374 3.008 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c(Cl)c1 ZINC000865689611 630359805 /nfs/dbraw/zinc/35/98/05/630359805.db2.gz KVZIEIBZCKSHEM-GBIKHYSHSA-N 0 1 269.772 3.010 20 10 CGCDMN CC[C@@H](NCc1cc[nH]n1)c1ccc(C(F)(F)F)cc1O ZINC000810217081 630855028 /nfs/dbraw/zinc/85/50/28/630855028.db2.gz VXCJVKFFQZWPIL-GFCCVEGCSA-N 0 1 299.296 3.375 20 10 CGCDMN CCOCC[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211330 630855208 /nfs/dbraw/zinc/85/52/08/630855208.db2.gz PRIGPAGLKDZAIJ-GFCCVEGCSA-N 0 1 291.313 3.488 20 10 CGCDMN COc1ccc2c(c1)CCCCN2Cc1[nH]ncc1C ZINC000811508151 631077409 /nfs/dbraw/zinc/07/74/09/631077409.db2.gz CSAULJOMKRTMMF-UHFFFAOYSA-N 0 1 271.364 3.070 20 10 CGCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)[C@H]1[C@@H]1CCCO1 ZINC000811511059 631080921 /nfs/dbraw/zinc/08/09/21/631080921.db2.gz SZEXZVHMRFKNJU-GJZGRUSLSA-N 0 1 295.810 3.435 20 10 CGCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)[C@H]1[C@@H]1CCCO1 ZINC000811511059 631080930 /nfs/dbraw/zinc/08/09/30/631080930.db2.gz SZEXZVHMRFKNJU-GJZGRUSLSA-N 0 1 295.810 3.435 20 10 CGCDMN CCCC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000811521080 631083442 /nfs/dbraw/zinc/08/34/42/631083442.db2.gz ZANKMIYDXQTHTJ-NSHDSACASA-N 0 1 296.367 3.320 20 10 CGCDMN Cc1cc(CN2CC[C@@H](C)[C@H](F)C2)ccc1N(C)C ZINC000815087976 631713586 /nfs/dbraw/zinc/71/35/86/631713586.db2.gz WVIGLMHCIWBZAR-IUODEOHRSA-N 0 1 264.388 3.241 20 10 CGCDMN Cc1cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1N(C)C ZINC000815099586 631716779 /nfs/dbraw/zinc/71/67/79/631716779.db2.gz LBJCEAVJMSODIK-ZNMIVQPWSA-N 0 1 276.424 3.059 20 10 CGCDMN CCN(C)c1ccc(CN2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000815102914 631718023 /nfs/dbraw/zinc/71/80/23/631718023.db2.gz MLNREDMMBDPQQA-KRWDZBQOSA-N 0 1 290.451 3.390 20 10 CGCDMN COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816515426 632000820 /nfs/dbraw/zinc/00/08/20/632000820.db2.gz ZBNGPJNYMSYJMY-OAHLLOKOSA-N 0 1 299.370 3.073 20 10 CGCDMN COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816515426 632000822 /nfs/dbraw/zinc/00/08/22/632000822.db2.gz ZBNGPJNYMSYJMY-OAHLLOKOSA-N 0 1 299.370 3.073 20 10 CGCDMN CCN(CC)C[C@@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548816 632008820 /nfs/dbraw/zinc/00/88/20/632008820.db2.gz UETXHNNCBXGOGP-CQSZACIVSA-N 0 1 286.419 3.365 20 10 CGCDMN CCN(CC)C[C@H](C)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548815 632009158 /nfs/dbraw/zinc/00/91/58/632009158.db2.gz UETXHNNCBXGOGP-AWEZNQCLSA-N 0 1 286.419 3.365 20 10 CGCDMN [O-]c1c(C[NH2+][C@H]2CCC[C@@H]2CCO)ccc2ccccc21 ZINC000816575708 632015978 /nfs/dbraw/zinc/01/59/78/632015978.db2.gz WLPSXUMTYZUQCB-PBHICJAKSA-N 0 1 285.387 3.186 20 10 CGCDMN CC[C@H](N)C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817979565 632269813 /nfs/dbraw/zinc/26/98/13/632269813.db2.gz LWTVXWAKNVBQKD-CABZTGNLSA-N 0 1 291.222 3.477 20 10 CGCDMN CCCCN(Cc1cc2n(n1)CCC2)Cc1ccccc1O ZINC000844323172 635869931 /nfs/dbraw/zinc/86/99/31/635869931.db2.gz MVDNYYNBHCAYJW-UHFFFAOYSA-N 0 1 299.418 3.337 20 10 CGCDMN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccc(Cl)cc1[O-] ZINC000866446921 633136735 /nfs/dbraw/zinc/13/67/35/633136735.db2.gz VJLSATWGGMORIT-XIDMARJMSA-N 0 1 293.794 3.120 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824654417 633269804 /nfs/dbraw/zinc/26/98/04/633269804.db2.gz NWDZTCLBTHDAOE-LBPRGKRZSA-N 0 1 255.720 3.169 20 10 CGCDMN CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000825104444 633329319 /nfs/dbraw/zinc/32/93/19/633329319.db2.gz XAGJZQOTXQWFGX-ZIAGYGMSSA-N 0 1 295.810 3.435 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCOC(C)(C)C)cc1Cl ZINC000825167398 633333523 /nfs/dbraw/zinc/33/35/23/633333523.db2.gz LBARAXFSPVJOOH-UHFFFAOYSA-N 0 1 271.788 3.259 20 10 CGCDMN Cc1ccc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])cn1 ZINC000825283562 633341767 /nfs/dbraw/zinc/34/17/67/633341767.db2.gz NJGMNDGREXGVJF-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1Cl ZINC000825354745 633348570 /nfs/dbraw/zinc/34/85/70/633348570.db2.gz YUTUYHJIHCMULX-WCQYABFASA-N 0 1 294.826 3.069 20 10 CGCDMN C[C@@H]1C[C@@H](C)N1Cc1ccc(Br)cc1O ZINC000825738558 633379405 /nfs/dbraw/zinc/37/94/05/633379405.db2.gz PRSLFANKNPWKPL-RKDXNWHRSA-N 0 1 270.170 3.137 20 10 CGCDMN C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(Br)cc1[O-] ZINC000825738558 633379408 /nfs/dbraw/zinc/37/94/08/633379408.db2.gz PRSLFANKNPWKPL-RKDXNWHRSA-N 0 1 270.170 3.137 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000825774564 633381441 /nfs/dbraw/zinc/38/14/41/633381441.db2.gz YLMSKEOZJAZVSZ-YPMHNXCESA-N 0 1 283.799 3.353 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000825774564 633381442 /nfs/dbraw/zinc/38/14/42/633381442.db2.gz YLMSKEOZJAZVSZ-YPMHNXCESA-N 0 1 283.799 3.353 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000825824930 633382881 /nfs/dbraw/zinc/38/28/81/633382881.db2.gz PYHLFQVBIVNYJG-GDBMZVCRSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000825824930 633382883 /nfs/dbraw/zinc/38/28/83/633382883.db2.gz PYHLFQVBIVNYJG-GDBMZVCRSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000825824930 633382886 /nfs/dbraw/zinc/38/28/86/633382886.db2.gz PYHLFQVBIVNYJG-GDBMZVCRSA-N 0 1 295.810 3.497 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(c2ccon2)CC1 ZINC000827628915 633504521 /nfs/dbraw/zinc/50/45/21/633504521.db2.gz ATJJVRBEPZNBHI-UHFFFAOYSA-N 0 1 292.766 3.413 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCOC2(C)C)cc1Cl ZINC000827704352 633511370 /nfs/dbraw/zinc/51/13/70/633511370.db2.gz BRLOTDXYWNASQP-LBPRGKRZSA-N 0 1 283.799 3.259 20 10 CGCDMN CC[C@H]([NH2+][C@H]1CCn2ccnc21)c1cc(Cl)ccc1[O-] ZINC000834833422 634252018 /nfs/dbraw/zinc/25/20/18/634252018.db2.gz ZPUSWOHBCZGRGD-STQMWFEESA-N 0 1 291.782 3.428 20 10 CGCDMN CC[C@H](N[C@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834833422 634252019 /nfs/dbraw/zinc/25/20/19/634252019.db2.gz ZPUSWOHBCZGRGD-STQMWFEESA-N 0 1 291.782 3.428 20 10 CGCDMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1ccccc1O ZINC000834894798 634272454 /nfs/dbraw/zinc/27/24/54/634272454.db2.gz MGRQFQFJBYZTRZ-NWDGAFQWSA-N 0 1 259.353 3.020 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCCO2)c(Cl)c1 ZINC000840875232 635069913 /nfs/dbraw/zinc/06/99/13/635069913.db2.gz KKOHGBZNZYCQGS-LLVKDONJSA-N 0 1 269.772 3.013 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@H]2c2ccncc2)ccc(F)c1F ZINC000877524397 635072345 /nfs/dbraw/zinc/07/23/45/635072345.db2.gz WTNLSXKKZUQAOR-CQSZACIVSA-N 0 1 290.313 3.403 20 10 CGCDMN CCOC1CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840911060 635081567 /nfs/dbraw/zinc/08/15/67/635081567.db2.gz VSIBVZFUUWRQNN-UHFFFAOYSA-N 0 1 283.799 3.355 20 10 CGCDMN CC[N@@H+](Cc1c([O-])cc(C)cc1Cl)C[C@@H](C)OC ZINC000840948563 635089285 /nfs/dbraw/zinc/08/92/85/635089285.db2.gz VTYKEBZNENAIAG-LLVKDONJSA-N 0 1 271.788 3.211 20 10 CGCDMN CC[N@H+](Cc1c([O-])cc(C)cc1Cl)C[C@@H](C)OC ZINC000840948563 635089291 /nfs/dbraw/zinc/08/92/91/635089291.db2.gz VTYKEBZNENAIAG-LLVKDONJSA-N 0 1 271.788 3.211 20 10 CGCDMN COC1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CCCC1 ZINC000840949048 635091093 /nfs/dbraw/zinc/09/10/93/635091093.db2.gz MKCLGHJOTXSRQA-UHFFFAOYSA-N 0 1 283.799 3.403 20 10 CGCDMN [O-]c1c(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)ccc(F)c1F ZINC000877568594 635095517 /nfs/dbraw/zinc/09/55/17/635095517.db2.gz SALMFLDTXIUQSK-IUODEOHRSA-N 0 1 279.330 3.291 20 10 CGCDMN CCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747130 635223668 /nfs/dbraw/zinc/22/36/68/635223668.db2.gz ODUUMQKBLMWJMG-NWDGAFQWSA-N 0 1 284.831 3.427 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1[O-] ZINC000841748182 635224259 /nfs/dbraw/zinc/22/42/59/635224259.db2.gz IHFRHMQYLBBWDF-NOZJJQNGSA-N 0 1 291.782 3.497 20 10 CGCDMN C/C=C\C[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752369 635225418 /nfs/dbraw/zinc/22/54/18/635225418.db2.gz ORWKAUROCFYBPL-YZKQYGISSA-N 0 1 269.772 3.023 20 10 CGCDMN C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(Cl)cc1[O-] ZINC000841753765 635227389 /nfs/dbraw/zinc/22/73/89/635227389.db2.gz VTPFLPCJAWJEKJ-ZYHUDNBSSA-N 0 1 267.756 3.389 20 10 CGCDMN COC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(C)C ZINC000841755885 635230009 /nfs/dbraw/zinc/23/00/09/635230009.db2.gz SAHMTQKRIWVUEE-MFKMUULPSA-N 0 1 271.788 3.367 20 10 CGCDMN COC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(C)C ZINC000841755886 635230192 /nfs/dbraw/zinc/23/01/92/635230192.db2.gz SAHMTQKRIWVUEE-ZWNOBZJWSA-N 0 1 271.788 3.367 20 10 CGCDMN C[C@@H]([NH2+]CC1=CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841759019 635231086 /nfs/dbraw/zinc/23/10/86/635231086.db2.gz WYYRIDRLVXGUID-SNVBAGLBSA-N 0 1 267.756 3.043 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@@H](O)C(F)F ZINC000841758976 635231863 /nfs/dbraw/zinc/23/18/63/635231863.db2.gz WIYIDZPNDJRIFV-VIRWGQHYSA-N 0 1 293.741 3.101 20 10 CGCDMN CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758376 635231910 /nfs/dbraw/zinc/23/19/10/635231910.db2.gz GSVZJOXLTTUXHR-PKFCDNJMSA-N 0 1 271.788 3.103 20 10 CGCDMN CC[N@H+](CCSC)Cc1c([O-])ccc2ccncc21 ZINC000842644821 635424694 /nfs/dbraw/zinc/42/46/94/635424694.db2.gz RSNMZELFMIEISK-UHFFFAOYSA-N 0 1 276.405 3.125 20 10 CGCDMN CC[N@@H+](CCSC)Cc1c([O-])ccc2ccncc21 ZINC000842644821 635424698 /nfs/dbraw/zinc/42/46/98/635424698.db2.gz RSNMZELFMIEISK-UHFFFAOYSA-N 0 1 276.405 3.125 20 10 CGCDMN CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000843427937 635671433 /nfs/dbraw/zinc/67/14/33/635671433.db2.gz WUYCROFCSWIKKF-CJNGLKHVSA-N 0 1 287.403 3.432 20 10 CGCDMN CCN(C)c1ccc(CN2C[C@H](C)OCC23CCC3)cc1 ZINC000844420989 635895992 /nfs/dbraw/zinc/89/59/92/635895992.db2.gz FLYALFOPUDKVCP-HNNXBMFYSA-N 0 1 288.435 3.286 20 10 CGCDMN CC(C)n1cncc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846056682 636140087 /nfs/dbraw/zinc/14/00/87/636140087.db2.gz WUZDWCXCLOQQQR-UHFFFAOYSA-N 0 1 279.771 3.113 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](F)C2)ccc2ccccc21 ZINC000846121310 636148213 /nfs/dbraw/zinc/14/82/13/636148213.db2.gz XSGMTOBSSBTPBG-CQSZACIVSA-N 0 1 259.324 3.479 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@H](F)C2)ccc2ccccc21 ZINC000846121310 636148215 /nfs/dbraw/zinc/14/82/15/636148215.db2.gz XSGMTOBSSBTPBG-CQSZACIVSA-N 0 1 259.324 3.479 20 10 CGCDMN Cc1ccc(CNCc2ccc(N(C)C)cc2)c(Cl)n1 ZINC000883291702 636654209 /nfs/dbraw/zinc/65/42/09/636654209.db2.gz OYDAKXWVSOEYOC-UHFFFAOYSA-N 0 1 289.810 3.399 20 10 CGCDMN COc1cccc(C[N@@H+](C)CC2CCCCC2)c1O ZINC000133571875 636941349 /nfs/dbraw/zinc/94/13/49/636941349.db2.gz CGIQBDQCWWNBCP-UHFFFAOYSA-N 0 1 263.381 3.413 20 10 CGCDMN C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc2ccccc2c1[O-] ZINC000850545144 637115679 /nfs/dbraw/zinc/11/56/79/637115679.db2.gz FDQBMFFSSOYALB-JCURWCKSSA-N 0 1 297.398 3.500 20 10 CGCDMN C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccc2ccccc2c1[O-] ZINC000850545146 637116076 /nfs/dbraw/zinc/11/60/76/637116076.db2.gz FDQBMFFSSOYALB-VUCTXSBTSA-N 0 1 297.398 3.500 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886288565 637485463 /nfs/dbraw/zinc/48/54/63/637485463.db2.gz BSAKCCIPSKHZEW-LLVKDONJSA-N 0 1 281.783 3.094 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CC[C@H](OC)C1 ZINC000851793046 637505529 /nfs/dbraw/zinc/50/55/29/637505529.db2.gz VUIGTHLCOAMFET-GJZGRUSLSA-N 0 1 263.381 3.172 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CC[C@H](OC)C1 ZINC000851793046 637505541 /nfs/dbraw/zinc/50/55/41/637505541.db2.gz VUIGTHLCOAMFET-GJZGRUSLSA-N 0 1 263.381 3.172 20 10 CGCDMN CCN(CC)c1ccc(CNCc2ccns2)cc1F ZINC000858212198 638658160 /nfs/dbraw/zinc/65/81/60/638658160.db2.gz KDZIPEUSLNEYDB-UHFFFAOYSA-N 0 1 293.411 3.418 20 10 CGCDMN CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000858486263 638737583 /nfs/dbraw/zinc/73/75/83/638737583.db2.gz SQWIBXKDPXBQIP-WCQYABFASA-N 0 1 285.815 3.493 20 10 CGCDMN O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000036387987 639358571 /nfs/dbraw/zinc/35/85/71/639358571.db2.gz NNMJBEGLYKDTBT-UHFFFAOYSA-N 0 1 292.722 3.244 20 10 CGCDMN CC[C@H](NCc1cc(C)ccc1O)c1nccs1 ZINC000078004087 640276984 /nfs/dbraw/zinc/27/69/84/640276984.db2.gz NQOPNZCDSRXXFC-LBPRGKRZSA-N 0 1 262.378 3.398 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+](C(C)C)C2CCC2)c1[O-] ZINC000079443655 640402223 /nfs/dbraw/zinc/40/22/23/640402223.db2.gz HGILGRRQSPTRHH-UHFFFAOYSA-N 0 1 279.355 3.497 20 10 CGCDMN COc1ccc(O)c(CN[C@H](C)c2nc(C)cs2)c1 ZINC000080270117 640460179 /nfs/dbraw/zinc/46/01/79/640460179.db2.gz LUDDNVDGXMKOIA-SNVBAGLBSA-N 0 1 278.377 3.017 20 10 CGCDMN Cc1ncsc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000083552487 640596341 /nfs/dbraw/zinc/59/63/41/640596341.db2.gz NSGIXRJQIIKCOA-UHFFFAOYSA-N 0 1 268.769 3.100 20 10 CGCDMN Oc1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc(O)c1O ZINC001251244460 805870480 /nfs/dbraw/zinc/87/04/80/805870480.db2.gz GOPUPZBBUAEVOJ-UHFFFAOYSA-N 0 1 294.669 3.139 20 10 CGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CCCCO1 ZINC000379184708 799348556 /nfs/dbraw/zinc/34/85/56/799348556.db2.gz QRCNIZKTWMJWHM-HZMBPMFUSA-N 0 1 269.772 3.093 20 10 CGCDMN Cc1cc(CNCc2cncn2C)c(C)n1-c1ccccc1 ZINC000388356980 799452741 /nfs/dbraw/zinc/45/27/41/799452741.db2.gz BOQRCDWGYVTYAM-UHFFFAOYSA-N 0 1 294.402 3.117 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CS1 ZINC000397927503 799523494 /nfs/dbraw/zinc/52/34/94/799523494.db2.gz KRRGZKYFIYPTML-GZMMTYOYSA-N 0 1 257.786 3.029 20 10 CGCDMN CCc1nc(C)c(CNCc2cccc(CC)c2O)o1 ZINC000691505597 799785499 /nfs/dbraw/zinc/78/54/99/799785499.db2.gz MCTOXCJHCBOXJF-UHFFFAOYSA-N 0 1 274.364 3.103 20 10 CGCDMN CCSC1(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000691855311 799788831 /nfs/dbraw/zinc/78/88/31/799788831.db2.gz KLIILPHEIGUZIN-UHFFFAOYSA-N 0 1 271.813 3.421 20 10 CGCDMN CCC[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701014370 799883074 /nfs/dbraw/zinc/88/30/74/799883074.db2.gz NCBLIGQPIMSNKN-SECBINFHSA-N 0 1 272.186 3.433 20 10 CGCDMN Oc1c(CNc2ccc3n[nH]cc3c2)ccc(F)c1F ZINC000703228719 799919928 /nfs/dbraw/zinc/91/99/28/799919928.db2.gz DIVNZLWQCQPGBZ-UHFFFAOYSA-N 0 1 275.258 3.159 20 10 CGCDMN CC[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707136571 799974162 /nfs/dbraw/zinc/97/41/62/799974162.db2.gz SRRJORKLEGOJCC-JTQLQIEISA-N 0 1 284.197 3.387 20 10 CGCDMN CC[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707136571 799974166 /nfs/dbraw/zinc/97/41/66/799974166.db2.gz SRRJORKLEGOJCC-JTQLQIEISA-N 0 1 284.197 3.387 20 10 CGCDMN COCC(C)(C)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000718742944 800220791 /nfs/dbraw/zinc/22/07/91/800220791.db2.gz ZRGPOKWRIKRDTM-UHFFFAOYSA-N 0 1 271.788 3.198 20 10 CGCDMN C[N@@H+](Cc1ccc(F)cc1)Cc1c([O-])cccc1F ZINC001137831454 803777498 /nfs/dbraw/zinc/77/74/98/803777498.db2.gz AHRFBBRQKSTZDO-UHFFFAOYSA-N 0 1 263.287 3.302 20 10 CGCDMN COc1ccc(CC[N@@H+](C)Cc2cccc(F)c2[O-])cc1 ZINC001138128518 803864101 /nfs/dbraw/zinc/86/41/01/803864101.db2.gz OZGZNFVQAXXTEV-UHFFFAOYSA-N 0 1 289.350 3.214 20 10 CGCDMN Cc1cc(CN2CCc3cnccc3C2)ccc1N(C)C ZINC001139669826 804248333 /nfs/dbraw/zinc/24/83/33/804248333.db2.gz PPRQSYNIURLSKQ-UHFFFAOYSA-N 0 1 281.403 3.014 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+](CC1CC1)C1CC1 ZINC001140341931 804419862 /nfs/dbraw/zinc/41/98/62/804419862.db2.gz LLINARQGEIHHRP-UHFFFAOYSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+](CC1CC1)C1CC1 ZINC001140341931 804419865 /nfs/dbraw/zinc/41/98/65/804419865.db2.gz LLINARQGEIHHRP-UHFFFAOYSA-N 0 1 251.757 3.420 20 10 CGCDMN CC[N@@H+](Cc1ccc2n[nH]cc2c1)Cc1ccccc1O ZINC001140388335 804428772 /nfs/dbraw/zinc/42/87/72/804428772.db2.gz QKJJPNBANZLFIJ-UHFFFAOYSA-N 0 1 281.359 3.291 20 10 CGCDMN CC1(C)C[N@@H+](Cc2ccc(Cl)cc2O)[C@](C)(CO)C1 ZINC001140462275 804440963 /nfs/dbraw/zinc/44/09/63/804440963.db2.gz DCZKIKSUTSLGDF-HNNXBMFYSA-N 0 1 283.799 3.029 20 10 CGCDMN CC1(C)C[N@H+](Cc2ccc(Cl)cc2[O-])[C@](C)(CO)C1 ZINC001140462275 804440966 /nfs/dbraw/zinc/44/09/66/804440966.db2.gz DCZKIKSUTSLGDF-HNNXBMFYSA-N 0 1 283.799 3.029 20 10 CGCDMN CC1(C)C[N@@H+](Cc2ccc(Cl)cc2[O-])[C@](C)(CO)C1 ZINC001140462275 804440968 /nfs/dbraw/zinc/44/09/68/804440968.db2.gz DCZKIKSUTSLGDF-HNNXBMFYSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c([O-])cc(F)cc2F)CCC1(F)F ZINC001140582076 804466223 /nfs/dbraw/zinc/46/62/23/804466223.db2.gz BNWQFPYOBKTXRH-QMMMGPOBSA-N 0 1 277.261 3.148 20 10 CGCDMN Cc1c(O)ccc(C[N@@H+](C)Cc2cccc(F)c2F)c1O ZINC001140747766 804504734 /nfs/dbraw/zinc/50/47/34/804504734.db2.gz LRLSVFULMWRBIE-UHFFFAOYSA-N 0 1 293.313 3.316 20 10 CGCDMN Cc1c(O)ccc(CN(C)Cc2cccc(F)c2F)c1O ZINC001140747766 804504736 /nfs/dbraw/zinc/50/47/36/804504736.db2.gz LRLSVFULMWRBIE-UHFFFAOYSA-N 0 1 293.313 3.316 20 10 CGCDMN COc1ccccc1CC[N@@H+](C)Cc1ccc(C)cc1O ZINC001140950995 804557768 /nfs/dbraw/zinc/55/77/68/804557768.db2.gz SJGXMXZITYZOEV-UHFFFAOYSA-N 0 1 285.387 3.384 20 10 CGCDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])C1CCCCC1 ZINC001142502522 804726892 /nfs/dbraw/zinc/72/68/92/804726892.db2.gz QTTFZHLVASJGSM-UHFFFAOYSA-N 0 1 255.308 3.435 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001142508896 804728036 /nfs/dbraw/zinc/72/80/36/804728036.db2.gz PCMGYPUXRPSGJY-HNNXBMFYSA-N 0 1 290.313 3.403 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001142520123 804730729 /nfs/dbraw/zinc/73/07/29/804730729.db2.gz BPRPWTAPKZSSBP-LBPRGKRZSA-N 0 1 290.313 3.055 20 10 CGCDMN CC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142524587 804731503 /nfs/dbraw/zinc/73/15/03/804731503.db2.gz BZHUYVRVTCMLJE-LLVKDONJSA-N 0 1 255.308 3.435 20 10 CGCDMN COc1c(F)cccc1CN(C)Cc1ccccc1O ZINC001143536730 804864425 /nfs/dbraw/zinc/86/44/25/804864425.db2.gz GMYNQEJZESUSPD-UHFFFAOYSA-N 0 1 275.323 3.172 20 10 CGCDMN COc1c(F)cccc1CN1CCc2cccc(O)c2C1 ZINC001143536745 804864778 /nfs/dbraw/zinc/86/47/78/804864778.db2.gz HBSVCDXAVHDINL-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])CCO1 ZINC001168090655 807308888 /nfs/dbraw/zinc/30/88/88/807308888.db2.gz GESNXQJJYXGPCK-MLGOLLRUSA-N 0 1 271.360 3.203 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+]CCCC(F)F ZINC001262193390 807835119 /nfs/dbraw/zinc/83/51/19/807835119.db2.gz KKNCCLCEQCMBOQ-UHFFFAOYSA-N 0 1 294.139 3.290 20 10 CGCDMN [O-]c1cc2ccccc2cc1C[NH2+][C@H]1CCCOCC1 ZINC001170791801 807907707 /nfs/dbraw/zinc/90/77/07/807907707.db2.gz FDLJPUGQIHYTEL-INIZCTEOSA-N 0 1 271.360 3.204 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CC(C)(C)CO2)c(Cl)c1 ZINC001179516171 809927836 /nfs/dbraw/zinc/92/78/36/809927836.db2.gz RDRKHSDREKNNNR-LLVKDONJSA-N 0 1 283.799 3.259 20 10 CGCDMN Oc1c(CN2CCCOc3ccccc32)ccc(F)c1F ZINC001182160724 810096097 /nfs/dbraw/zinc/09/60/97/810096097.db2.gz LAPKXRZFHPFFGJ-UHFFFAOYSA-N 0 1 291.297 3.460 20 10 CGCDMN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)c2ccccc21 ZINC001183732749 810159056 /nfs/dbraw/zinc/15/90/56/810159056.db2.gz BFBGTFVSAXFXRT-VIFPVBQESA-N 0 1 287.290 3.001 20 10 CGCDMN CC[C@H](C)C[C@H](C)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626246 810921174 /nfs/dbraw/zinc/92/11/74/810921174.db2.gz SVAFXLXYULFJBJ-IUCAKERBSA-N 0 1 285.771 3.306 20 10 CGCDMN COc1ccccc1[C@H]1CCCN1Cc1ccc(O)c(O)c1 ZINC001203882283 812479952 /nfs/dbraw/zinc/47/99/52/812479952.db2.gz GYAMOGSDQPYBCC-OAHLLOKOSA-N 0 1 299.370 3.444 20 10 CGCDMN CN(Cc1ccc(C(F)(F)F)nc1)Cc1ccccc1O ZINC001205443812 812984121 /nfs/dbraw/zinc/98/41/21/812984121.db2.gz BDUNFWWDJRTQEQ-UHFFFAOYSA-N 0 1 296.292 3.438 20 10 CGCDMN CN(C)c1cc(F)c(CN2C[C@H]3CCCC[C@H]32)cc1F ZINC001206560742 813353743 /nfs/dbraw/zinc/35/37/43/813353743.db2.gz VZGXDHWTJMMQPI-IAQYHMDHSA-N 0 1 280.362 3.405 20 10 CGCDMN CC[N@@H+](Cc1ccccc1[O-])CC1C[C@H](C)O[C@@H](C)C1 ZINC001209399028 814013371 /nfs/dbraw/zinc/01/33/71/814013371.db2.gz RQQWDKRNRSDLDD-KBPBESRZSA-N 0 1 277.408 3.418 20 10 CGCDMN CC[N@H+](Cc1ccccc1[O-])CC1C[C@H](C)O[C@@H](C)C1 ZINC001209399028 814013376 /nfs/dbraw/zinc/01/33/76/814013376.db2.gz RQQWDKRNRSDLDD-KBPBESRZSA-N 0 1 277.408 3.418 20 10 CGCDMN CCN(Cc1nn(C)c2ccccc12)Cc1ccccc1O ZINC001209583107 814091591 /nfs/dbraw/zinc/09/15/91/814091591.db2.gz FLFOKIJXXJPYTG-UHFFFAOYSA-N 0 1 295.386 3.301 20 10 CGCDMN CC[N@@H+](Cc1ccc(C(=O)[O-])cc1O)C1CCCCC1 ZINC001231448517 818100251 /nfs/dbraw/zinc/10/02/51/818100251.db2.gz GTCJVNRNIJNFNT-UHFFFAOYSA-N 0 1 277.364 3.245 20 10 CGCDMN O=C([O-])c1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(O)c1 ZINC001231452254 818102440 /nfs/dbraw/zinc/10/24/40/818102440.db2.gz IUFQRHXYNYNBKA-OCCSQVGLSA-N 0 1 289.375 3.103 20 10 CGCDMN Oc1ccc2ccccc2c1C[N@H+]1CCc2ncccc2C1 ZINC001231589389 818129516 /nfs/dbraw/zinc/12/95/16/818129516.db2.gz FSKWSLWOYXJJJE-UHFFFAOYSA-N 0 1 290.366 3.499 20 10 CGCDMN CC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231870372 818193085 /nfs/dbraw/zinc/19/30/85/818193085.db2.gz WPSNPXNJNLYXOL-LBPRGKRZSA-N 0 1 281.783 3.155 20 10 CGCDMN CC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231870372 818193088 /nfs/dbraw/zinc/19/30/88/818193088.db2.gz WPSNPXNJNLYXOL-LBPRGKRZSA-N 0 1 281.783 3.155 20 10 CGCDMN CN1C[C@H]2CCC[N@@H+](Cc3ccc4ccccc4c3O)[C@H]2C1 ZINC001231881566 818198991 /nfs/dbraw/zinc/19/89/91/818198991.db2.gz XAKFIVVCNWCTIG-QAPCUYQASA-N 0 1 296.414 3.071 20 10 CGCDMN CC(=O)C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001231881560 818199927 /nfs/dbraw/zinc/19/99/27/818199927.db2.gz WTIQEGCEWJMTKK-UHFFFAOYSA-N 0 1 283.371 3.346 20 10 CGCDMN C[N@@H+](C1CC1)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC001231914840 818211515 /nfs/dbraw/zinc/21/15/15/818211515.db2.gz RVAOZIMSYABIFZ-UHFFFAOYSA-N 0 1 294.826 3.104 20 10 CGCDMN C[N@H+](CCc1ccccc1)Cc1cc(Cl)c([O-])cc1O ZINC001232257454 818295826 /nfs/dbraw/zinc/29/58/26/818295826.db2.gz DMQOGLQSSZUQBN-UHFFFAOYSA-N 0 1 291.778 3.426 20 10 CGCDMN C[N@@H+](CCc1ccccc1)Cc1cc(Cl)c([O-])cc1O ZINC001232257454 818295830 /nfs/dbraw/zinc/29/58/30/818295830.db2.gz DMQOGLQSSZUQBN-UHFFFAOYSA-N 0 1 291.778 3.426 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2C[C@@H](C)CC23CC3)cc1Cl ZINC001232267407 818297825 /nfs/dbraw/zinc/29/78/25/818297825.db2.gz BKRCYBHPRUTNDX-JTQLQIEISA-N 0 1 281.783 3.429 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2C[C@@H](C)CC23CC3)cc1Cl ZINC001232267407 818297827 /nfs/dbraw/zinc/29/78/27/818297827.db2.gz BKRCYBHPRUTNDX-JTQLQIEISA-N 0 1 281.783 3.429 20 10 CGCDMN [O-]c1cc(O)c(C[N@@H+]2CCC3(CCC3)C2)cc1Cl ZINC001232262268 818298836 /nfs/dbraw/zinc/29/88/36/818298836.db2.gz DQMVARLEFDIAGT-UHFFFAOYSA-N 0 1 267.756 3.127 20 10 CGCDMN [O-]c1cc(O)c(C[N@H+]2CCC3(CCC3)C2)cc1Cl ZINC001232262268 818298843 /nfs/dbraw/zinc/29/88/43/818298843.db2.gz DQMVARLEFDIAGT-UHFFFAOYSA-N 0 1 267.756 3.127 20 10 CGCDMN CC[N@@H+](Cc1cc([O-])c(F)c(F)c1)Cc1ccccc1O ZINC001232975455 818489519 /nfs/dbraw/zinc/48/95/19/818489519.db2.gz KBCPLTZJZPNVLW-UHFFFAOYSA-N 0 1 293.313 3.398 20 10 CGCDMN Cc1cccc([C@@H]2CCCN2Cc2cc(O)c(O)c(O)c2)c1 ZINC001233011154 818501207 /nfs/dbraw/zinc/50/12/07/818501207.db2.gz ZPLPMDRTJBPCSS-HNNXBMFYSA-N 0 1 299.370 3.449 20 10 CGCDMN CC(C)(C)c1ccc(O)c(CN2CCOCC23CCC3)c1 ZINC001233286196 818568298 /nfs/dbraw/zinc/56/82/98/818568298.db2.gz JMQKZBPTVRFGSS-UHFFFAOYSA-N 0 1 289.419 3.445 20 10 CGCDMN C[N@@H+](Cc1ccno1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419164 818615828 /nfs/dbraw/zinc/61/58/28/818615828.db2.gz LQPJIQNOPQVJJQ-UHFFFAOYSA-N 0 1 286.253 3.031 20 10 CGCDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1CCC(F)CC1 ZINC001233452443 818622883 /nfs/dbraw/zinc/62/28/83/818622883.db2.gz WRWNKJBSTUMAHG-UHFFFAOYSA-N 0 1 277.261 3.345 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451991 818623187 /nfs/dbraw/zinc/62/31/87/818623187.db2.gz HIPFFLTZSAFFSP-SECBINFHSA-N 0 1 259.271 3.253 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451991 818623191 /nfs/dbraw/zinc/62/31/91/818623191.db2.gz HIPFFLTZSAFFSP-SECBINFHSA-N 0 1 259.271 3.253 20 10 CGCDMN Oc1cc(C(F)(F)F)ccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001233452503 818623992 /nfs/dbraw/zinc/62/39/92/818623992.db2.gz YZXWDCXQOXLAEM-DLOVCJGASA-N 0 1 289.272 3.201 20 10 CGCDMN CC(C)C[N@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233728649 818692126 /nfs/dbraw/zinc/69/21/26/818692126.db2.gz YBWBODTXTHKDNB-UHFFFAOYSA-N 0 1 277.286 3.379 20 10 CGCDMN CC(C)C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233728649 818692131 /nfs/dbraw/zinc/69/21/31/818692131.db2.gz YBWBODTXTHKDNB-UHFFFAOYSA-N 0 1 277.286 3.379 20 10 CGCDMN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCCC[C@H](O)C1 ZINC001236792076 819595341 /nfs/dbraw/zinc/59/53/41/819595341.db2.gz BFSOBANPFGNHKE-JTQLQIEISA-N 0 1 290.190 3.046 20 10 CGCDMN CC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795324 819598172 /nfs/dbraw/zinc/59/81/72/819598172.db2.gz CBWLTLKPIGBJGC-VIFPVBQESA-N 0 1 288.174 3.110 20 10 CGCDMN COc1cc(C)c(C[N@H+](C)CC(C)(C)C)c([O-])c1 ZINC001236815024 819605873 /nfs/dbraw/zinc/60/58/73/819605873.db2.gz ZYPINGXARPJUEW-UHFFFAOYSA-N 0 1 251.370 3.187 20 10 CGCDMN COc1cc(C)c(C[N@@H+](C)CC(C)(C)C)c([O-])c1 ZINC001236815024 819605877 /nfs/dbraw/zinc/60/58/77/819605877.db2.gz ZYPINGXARPJUEW-UHFFFAOYSA-N 0 1 251.370 3.187 20 10 CGCDMN COc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c([O-])c1Cl ZINC001236817771 819606242 /nfs/dbraw/zinc/60/62/42/819606242.db2.gz HISWFECBALBHDA-JQWIXIFHSA-N 0 1 299.798 3.054 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2[O-])CCC[C@@H]1O ZINC001236826742 819609863 /nfs/dbraw/zinc/60/98/63/819609863.db2.gz MEDRKNNBZKOTDW-DYVFJYSZSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2[O-])CCC[C@@H]1O ZINC001236826742 819609865 /nfs/dbraw/zinc/60/98/65/819609865.db2.gz MEDRKNNBZKOTDW-DYVFJYSZSA-N 0 1 285.387 3.138 20 10 CGCDMN 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ZINC000743397643 572656165 /nfs/dbraw/zinc/65/61/65/572656165.db2.gz QGFIPZMMYWCFDZ-CYBMUJFWSA-N 0 1 288.416 3.268 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])c1ccccc1 ZINC000829497102 604770285 /nfs/dbraw/zinc/77/02/85/604770285.db2.gz WPKVPAZZEYGFLW-KRWDZBQOSA-N 0 1 299.370 3.430 20 10 CGCDMN Cc1nc(CN[C@H](C)c2cc(C)ccc2O)cs1 ZINC000041010519 617984632 /nfs/dbraw/zinc/98/46/32/617984632.db2.gz QMWACSAUUXLUND-SNVBAGLBSA-N 0 1 262.378 3.316 20 10 CGCDMN CC(C)C[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000307771486 618077009 /nfs/dbraw/zinc/07/70/09/618077009.db2.gz GMSBEBCFLCBRHM-GFCCVEGCSA-N 0 1 251.345 3.399 20 10 CGCDMN C[C@H]([NH2+]CCc1cn(C)cn1)c1ccc2ccccc2c1[O-] ZINC000313247971 618181409 /nfs/dbraw/zinc/18/14/09/618181409.db2.gz BHPXNFICFOBONA-ZDUSSCGKSA-N 0 1 295.386 3.172 20 10 CGCDMN CCC[N@H+](Cc1ccc(OC)c(OC)c1O)CC1CC1 ZINC000891395397 618184084 /nfs/dbraw/zinc/18/40/84/618184084.db2.gz ZPRNSSGKUJMAOP-UHFFFAOYSA-N 0 1 279.380 3.031 20 10 CGCDMN C[C@@H](NCc1cncs1)c1ccc(N(C)C)cc1 ZINC000168897510 618914267 /nfs/dbraw/zinc/91/42/67/618914267.db2.gz IOJHYSBZIDTCNO-LLVKDONJSA-N 0 1 261.394 3.060 20 10 CGCDMN CC1(C)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000309454592 619027709 /nfs/dbraw/zinc/02/77/09/619027709.db2.gz RXZABBKQJSIZGF-LBPRGKRZSA-N 0 1 284.197 3.433 20 10 CGCDMN Cc1ncoc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000893929434 619334852 /nfs/dbraw/zinc/33/48/52/619334852.db2.gz SKMDXUABYSWTHA-UHFFFAOYSA-N 0 1 285.391 3.214 20 10 CGCDMN CCCO[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894017319 619350902 /nfs/dbraw/zinc/35/09/02/619350902.db2.gz LRSZSHIKASPGRE-AWEZNQCLSA-N 0 1 299.361 3.452 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Cl)ccc1[O-] ZINC000185460042 625361569 /nfs/dbraw/zinc/36/15/69/625361569.db2.gz USEFJRMALNBPFT-FUPATZSFSA-N 0 1 267.756 3.016 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895842733 619892850 /nfs/dbraw/zinc/89/28/50/619892850.db2.gz FHVOESFPFMKNRL-ABAIWWIYSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895842733 619892851 /nfs/dbraw/zinc/89/28/51/619892851.db2.gz FHVOESFPFMKNRL-ABAIWWIYSA-N 0 1 281.783 3.047 20 10 CGCDMN Cc1cnc(CN[C@H](C)c2cc(F)ccc2O)s1 ZINC000185569482 625385738 /nfs/dbraw/zinc/38/57/38/625385738.db2.gz TTWQOUORUNJGSI-SECBINFHSA-N 0 1 266.341 3.147 20 10 CGCDMN C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1[O-])c1cccs1 ZINC000304328262 620198427 /nfs/dbraw/zinc/19/84/27/620198427.db2.gz URJPPGSZZOTOGQ-AWEZNQCLSA-N 0 1 297.807 3.104 20 10 CGCDMN CCC[C@H](O)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000927016073 620561748 /nfs/dbraw/zinc/56/17/48/620561748.db2.gz HNSPRHRJSMWCPV-PWSUYJOCSA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(Cl)ccc1[O-] ZINC000903286646 621669752 /nfs/dbraw/zinc/66/97/52/621669752.db2.gz LTOWMKFGOYQJFG-SSEJVFHPSA-N 0 1 293.794 3.262 20 10 CGCDMN C[C@H](NCc1cn(C)cn1)c1ccc(N2CCCCC2)cc1 ZINC000903351914 621709045 /nfs/dbraw/zinc/70/90/45/621709045.db2.gz RFOPGHWZMMFHPR-HNNXBMFYSA-N 0 1 298.434 3.261 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCCS1 ZINC000158060346 622994962 /nfs/dbraw/zinc/99/49/62/622994962.db2.gz CYVQMJMDAWFKAX-GFCCVEGCSA-N 0 1 271.813 3.421 20 10 CGCDMN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)C[NH+]1CCCCC1 ZINC000062747869 623266336 /nfs/dbraw/zinc/26/63/36/623266336.db2.gz GHLAQHLYTBCBHJ-KGLIPLIRSA-N 0 1 294.414 3.304 20 10 CGCDMN CC(C)[C@H](C)[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000915208476 623918086 /nfs/dbraw/zinc/91/80/86/623918086.db2.gz NQUZCGCLMRFQTE-LBPRGKRZSA-N 0 1 258.365 3.417 20 10 CGCDMN CC(C)[C@H](C)[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000915208476 623918089 /nfs/dbraw/zinc/91/80/89/623918089.db2.gz NQUZCGCLMRFQTE-LBPRGKRZSA-N 0 1 258.365 3.417 20 10 CGCDMN CC(C)[C@H](C)[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000915208476 623918092 /nfs/dbraw/zinc/91/80/92/623918092.db2.gz NQUZCGCLMRFQTE-LBPRGKRZSA-N 0 1 258.365 3.417 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2ncc(C)s2)c1 ZINC000182381430 624995143 /nfs/dbraw/zinc/99/51/43/624995143.db2.gz WFKKYFYNCKXKDE-JTQLQIEISA-N 0 1 278.377 3.017 20 10 CGCDMN Cc1cccnc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000071339742 625077764 /nfs/dbraw/zinc/07/77/64/625077764.db2.gz ZUBBUQBBBDVXKY-AWEZNQCLSA-N 0 1 269.392 3.307 20 10 CGCDMN CCc1cnc(CN[C@@H](C)c2ccccc2O)s1 ZINC000183535863 625087942 /nfs/dbraw/zinc/08/79/42/625087942.db2.gz ILSJIVGNWVBRQB-JTQLQIEISA-N 0 1 262.378 3.262 20 10 CGCDMN CCn1cc([C@@H](C)NCc2ccc3c(c2)CCCO3)cn1 ZINC000922169003 625978745 /nfs/dbraw/zinc/97/87/45/625978745.db2.gz QHCRYTMVIFEYKF-CYBMUJFWSA-N 0 1 285.391 3.079 20 10 CGCDMN CCOC[C@H]1CCCC[N@H+]1Cc1ccc(OCC)cc1O ZINC000839170912 626325247 /nfs/dbraw/zinc/32/52/47/626325247.db2.gz VEDCKTBAHGALRX-OAHLLOKOSA-N 0 1 293.407 3.182 20 10 CGCDMN CCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804871776 626359395 /nfs/dbraw/zinc/35/93/95/626359395.db2.gz USWAIFVHLKCRDE-UHFFFAOYSA-N 0 1 291.178 3.298 20 10 CGCDMN CC[N@H+](Cc1ccccn1)Cc1c([O-])ccc2ccncc21 ZINC000753103876 626445510 /nfs/dbraw/zinc/44/55/10/626445510.db2.gz UBPSVZKCKOYLEK-UHFFFAOYSA-N 0 1 293.370 3.358 20 10 CGCDMN CC[N@@H+](Cc1ccccn1)Cc1c([O-])ccc2ccncc21 ZINC000753103876 626445511 /nfs/dbraw/zinc/44/55/11/626445511.db2.gz UBPSVZKCKOYLEK-UHFFFAOYSA-N 0 1 293.370 3.358 20 10 CGCDMN C[C@@H]1CSCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000754156536 626561578 /nfs/dbraw/zinc/56/15/78/626561578.db2.gz SDYFYTIFLQUISD-VIFPVBQESA-N 0 1 289.803 3.370 20 10 CGCDMN C[C@@H]1CSCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000754156848 626561726 /nfs/dbraw/zinc/56/17/26/626561726.db2.gz WDMXAQHBHWXOAF-VIFPVBQESA-N 0 1 289.803 3.370 20 10 CGCDMN CC[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000755922832 626661322 /nfs/dbraw/zinc/66/13/22/626661322.db2.gz JVHZPGSFQDXJQH-LBPRGKRZSA-N 0 1 256.349 3.172 20 10 CGCDMN CC[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000755922832 626661324 /nfs/dbraw/zinc/66/13/24/626661324.db2.gz JVHZPGSFQDXJQH-LBPRGKRZSA-N 0 1 256.349 3.172 20 10 CGCDMN CC(C)[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756610909 626720623 /nfs/dbraw/zinc/72/06/23/626720623.db2.gz URTJYTYCSPKKIN-KGYLQXTDSA-N 0 1 281.371 3.076 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]CC2(C)CCOCC2)c2c1c(F)ccc2[O-] ZINC000756747590 626729422 /nfs/dbraw/zinc/72/94/22/626729422.db2.gz RMVZCQIUZCZSIS-DGCLKSJQSA-N 0 1 293.382 3.486 20 10 CGCDMN C[C@@H]([NH2+]CCOC1CCC1)c1cc(Cl)ccc1[O-] ZINC000756836461 626736202 /nfs/dbraw/zinc/73/62/02/626736202.db2.gz ARYDDHRKEHWTPU-SNVBAGLBSA-N 0 1 269.772 3.265 20 10 CGCDMN Cc1ccc([C@H](C)Nc2cnn(-c3ccncc3)c2)c(O)c1 ZINC000756867472 626738391 /nfs/dbraw/zinc/73/83/91/626738391.db2.gz KRROWMIVTFXMDV-ZDUSSCGKSA-N 0 1 294.358 3.454 20 10 CGCDMN C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCO[C@H]1C1CC1 ZINC000767195641 627389062 /nfs/dbraw/zinc/38/90/62/627389062.db2.gz OLAAGLUFSQXNOL-JKSUJKDBSA-N 0 1 295.810 3.340 20 10 CGCDMN CCC[NH+](CCC)Cc1ccc(OCC)cc1[O-] ZINC000768138502 627462992 /nfs/dbraw/zinc/46/29/92/627462992.db2.gz XXQGMKVYRNLJGF-UHFFFAOYSA-N 0 1 251.370 3.413 20 10 CGCDMN CN(C)c1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1 ZINC000768236605 627470272 /nfs/dbraw/zinc/47/02/72/627470272.db2.gz HEDHDDUECPOGSK-IBGZPJMESA-N 0 1 296.414 3.326 20 10 CGCDMN CCOc1ccc(C[N@H+]2CCC[C@H]2C2CC2)c(O)c1 ZINC000769331791 627542623 /nfs/dbraw/zinc/54/26/23/627542623.db2.gz XMGWNIWVYXPMMB-HNNXBMFYSA-N 0 1 261.365 3.165 20 10 CGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000769515428 627561902 /nfs/dbraw/zinc/56/19/02/627561902.db2.gz QEIPCYPJBVGMMZ-JTQLQIEISA-N 0 1 296.754 3.186 20 10 CGCDMN CCOc1cccc(CN(C)Cc2ccc(N(C)C)cc2)n1 ZINC000771935492 627746731 /nfs/dbraw/zinc/74/67/31/627746731.db2.gz WASPZIYOGUEBKD-UHFFFAOYSA-N 0 1 299.418 3.178 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](C)COC)c1cc(Cl)ccc1[O-] ZINC000775487717 628099638 /nfs/dbraw/zinc/09/96/38/628099638.db2.gz CTYMWSYHEPODLV-ZWNOBZJWSA-N 0 1 271.788 3.369 20 10 CGCDMN CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503418 628101708 /nfs/dbraw/zinc/10/17/08/628101708.db2.gz IEYJXUDFPQXONC-DGFSRKRXSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000775523563 628103230 /nfs/dbraw/zinc/10/32/30/628103230.db2.gz LADRFPMWCVBFLV-TZMCWYRMSA-N 0 1 283.799 3.247 20 10 CGCDMN CC[C@@]1(C)COCCN1Cc1cc(Cl)cc(F)c1O ZINC000775982219 628155633 /nfs/dbraw/zinc/15/56/33/628155633.db2.gz ZLKLBEDCANXVQR-AWEZNQCLSA-N 0 1 287.762 3.186 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@H](C)C1 ZINC000779002057 628382708 /nfs/dbraw/zinc/38/27/08/628382708.db2.gz JQILVDSTYLZBBT-HUUCEWRRSA-N 0 1 277.408 3.419 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@H](C)C1 ZINC000779002057 628382709 /nfs/dbraw/zinc/38/27/09/628382709.db2.gz JQILVDSTYLZBBT-HUUCEWRRSA-N 0 1 277.408 3.419 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781532385 628569077 /nfs/dbraw/zinc/56/90/77/628569077.db2.gz PIWOANJPUIKDEB-SECBINFHSA-N 0 1 291.725 3.249 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781532385 628569079 /nfs/dbraw/zinc/56/90/79/628569079.db2.gz PIWOANJPUIKDEB-SECBINFHSA-N 0 1 291.725 3.249 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]2C)c1 ZINC000781914468 628604852 /nfs/dbraw/zinc/60/48/52/628604852.db2.gz XQIFMQQBVJBDJT-SNVBAGLBSA-N 0 1 284.197 3.447 20 10 CGCDMN COc1cccc(O)c1CN1Cc2ccccc2OC[C@@H]1C ZINC000783598485 628730210 /nfs/dbraw/zinc/73/02/10/628730210.db2.gz SZKBWTCOWREXPI-ZDUSSCGKSA-N 0 1 299.370 3.184 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000788984252 629093876 /nfs/dbraw/zinc/09/38/76/629093876.db2.gz JGDNANWNDSYISK-QKCSRTOESA-N 0 1 283.799 3.247 20 10 CGCDMN C[C@@H]1CCSCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000790482303 629213205 /nfs/dbraw/zinc/21/32/05/629213205.db2.gz VZFNQVLQAQFBSU-GFCCVEGCSA-N 0 1 288.416 3.268 20 10 CGCDMN C[C@@H]1CCSCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000790482303 629213207 /nfs/dbraw/zinc/21/32/07/629213207.db2.gz VZFNQVLQAQFBSU-GFCCVEGCSA-N 0 1 288.416 3.268 20 10 CGCDMN Cc1c(CN(C)Cc2cc(Cl)cc(C)c2O)cnn1C ZINC000790938614 629241987 /nfs/dbraw/zinc/24/19/87/629241987.db2.gz LFAOWJFOWODONK-UHFFFAOYSA-N 0 1 293.798 3.028 20 10 CGCDMN CC(C)[C@@H]1CC[N@@H+]1Cc1c([O-])cccc1Br ZINC000862262349 629333164 /nfs/dbraw/zinc/33/31/64/629333164.db2.gz XNFJONIVPHMGLB-LBPRGKRZSA-N 0 1 284.197 3.385 20 10 CGCDMN CC(C)[C@@H]1CC[N@H+]1Cc1c([O-])cccc1Br ZINC000862262349 629333167 /nfs/dbraw/zinc/33/31/67/629333167.db2.gz XNFJONIVPHMGLB-LBPRGKRZSA-N 0 1 284.197 3.385 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000792171088 629343188 /nfs/dbraw/zinc/34/31/88/629343188.db2.gz XPVSYPILLJPDQE-MFKMUULPSA-N 0 1 299.773 3.186 20 10 CGCDMN CC(=O)Nc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864018576 629727628 /nfs/dbraw/zinc/72/76/28/629727628.db2.gz KXZLAQPIDZBOBT-UHFFFAOYSA-N 0 1 292.285 3.241 20 10 CGCDMN CC(=O)c1cc(F)cc(CN2CCC(C)=C(C)C2)c1O ZINC000796590829 629804587 /nfs/dbraw/zinc/80/45/87/629804587.db2.gz XIVWZXVFKJVAGC-UHFFFAOYSA-N 0 1 277.339 3.276 20 10 CGCDMN Cc1ccc(O)c(CNc2nccn2-c2ccccc2)c1 ZINC000798189422 630032663 /nfs/dbraw/zinc/03/26/63/630032663.db2.gz ZBLCJRWWHWACNJ-UHFFFAOYSA-N 0 1 279.343 3.498 20 10 CGCDMN CCCCN(Cc1ccccc1O)[C@@H](C)c1nc(C)no1 ZINC000801596866 630346635 /nfs/dbraw/zinc/34/66/35/630346635.db2.gz RGMKFABLTTTYOV-LBPRGKRZSA-N 0 1 289.379 3.447 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN[C@H]1CCCC1(F)F ZINC000808432057 630644419 /nfs/dbraw/zinc/64/44/19/630644419.db2.gz UBUJJPWNXHBKGX-JTQLQIEISA-N 0 1 279.689 3.462 20 10 CGCDMN CCOC1CC([N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809773551 630803554 /nfs/dbraw/zinc/80/35/54/630803554.db2.gz FQCASWXEZFRLIV-UHFFFAOYSA-N 0 1 287.762 3.184 20 10 CGCDMN CC[C@@H]([NH2+]CC(C)(C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218259 630854559 /nfs/dbraw/zinc/85/45/59/630854559.db2.gz RGORVYYVEOLGBX-LLVKDONJSA-N 0 1 291.313 3.223 20 10 CGCDMN CC(C)[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCOC1 ZINC000812776219 631305873 /nfs/dbraw/zinc/30/58/73/631305873.db2.gz KHNWHPHLVSVAFD-CYBMUJFWSA-N 0 1 269.772 3.045 20 10 CGCDMN CC(C)[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCOC1 ZINC000812776219 631305879 /nfs/dbraw/zinc/30/58/79/631305879.db2.gz KHNWHPHLVSVAFD-CYBMUJFWSA-N 0 1 269.772 3.045 20 10 CGCDMN COc1ccc(F)c(CNCc2ccc(N(C)C)cc2)c1 ZINC000815113490 631720470 /nfs/dbraw/zinc/72/04/70/631720470.db2.gz CTRJDUONFCIHLQ-UHFFFAOYSA-N 0 1 288.366 3.190 20 10 CGCDMN [O-]c1c(C[NH2+]CCc2ccco2)ccc2ccccc21 ZINC000816529134 632003687 /nfs/dbraw/zinc/00/36/87/632003687.db2.gz HSZHTMSMAHXVFS-UHFFFAOYSA-N 0 1 267.328 3.471 20 10 CGCDMN CO[C@@H](C)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816545535 632007674 /nfs/dbraw/zinc/00/76/74/632007674.db2.gz UMMDSVQSXPZUGL-LBPRGKRZSA-N 0 1 259.349 3.060 20 10 CGCDMN CO[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1(C)C ZINC000816554702 632009701 /nfs/dbraw/zinc/00/97/01/632009701.db2.gz HCODNJWVWBFXTD-CVEARBPZSA-N 0 1 285.387 3.449 20 10 CGCDMN CC(C)(CO)CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816553198 632010310 /nfs/dbraw/zinc/01/03/10/632010310.db2.gz MJZKIOGNKSZLLX-UHFFFAOYSA-N 0 1 287.403 3.434 20 10 CGCDMN C[C@]1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCCO1 ZINC000816557156 632012139 /nfs/dbraw/zinc/01/21/39/632012139.db2.gz GNBHQEBZIJCQDH-QGZVFWFLSA-N 0 1 271.360 3.204 20 10 CGCDMN CC(C)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816564769 632013533 /nfs/dbraw/zinc/01/35/33/632013533.db2.gz PJTUHRGEYQFOAY-KRWDZBQOSA-N 0 1 285.387 3.402 20 10 CGCDMN CC(C)[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816564769 632013542 /nfs/dbraw/zinc/01/35/42/632013542.db2.gz PJTUHRGEYQFOAY-KRWDZBQOSA-N 0 1 285.387 3.402 20 10 CGCDMN [O-]c1c(C[NH2+]CCCOC(F)F)ccc2ccccc21 ZINC000816601252 632021877 /nfs/dbraw/zinc/02/18/77/632021877.db2.gz WKXBPCWCNZWKHR-UHFFFAOYSA-N 0 1 281.302 3.264 20 10 CGCDMN C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816609046 632022418 /nfs/dbraw/zinc/02/24/18/632022418.db2.gz QKZIDOZLCXIGJT-HIFRSBDPSA-N 0 1 285.387 3.308 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000817419199 632147111 /nfs/dbraw/zinc/14/71/11/632147111.db2.gz QXCZHOOUVMPHQG-GFCCVEGCSA-N 0 1 283.799 3.030 20 10 CGCDMN CC[NH2+]CCN[C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817951655 632248046 /nfs/dbraw/zinc/24/80/46/632248046.db2.gz IXGKBCYXUJGENF-LLVKDONJSA-N 0 1 291.222 3.349 20 10 CGCDMN CCC[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000866414545 633127530 /nfs/dbraw/zinc/12/75/30/633127530.db2.gz IAIVSUUHLAPAGE-CMPLNLGQSA-N 0 1 271.788 3.247 20 10 CGCDMN [O-]c1c(C[NH2+][C@H]2CC[C@H](CO)CC2)ccc2ccccc21 ZINC000824006497 633179976 /nfs/dbraw/zinc/17/99/76/633179976.db2.gz GAPRELCMOJEBHT-SAZUREKKSA-N 0 1 285.387 3.186 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@]2(C)CCCOC2)cc1Cl ZINC000825441651 633354738 /nfs/dbraw/zinc/35/47/38/633354738.db2.gz QKCBZBJFANVCTH-CQSZACIVSA-N 0 1 269.772 3.013 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CC(C3CCOCC3)C2)cc1Cl ZINC000825773438 633381257 /nfs/dbraw/zinc/38/12/57/633381257.db2.gz GWYSGKTTWTXLHZ-UHFFFAOYSA-N 0 1 295.810 3.212 20 10 CGCDMN CO[C@](C)(C[NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000825955999 633392052 /nfs/dbraw/zinc/39/20/52/633392052.db2.gz WGKKXUANERVGGM-OAHLLOKOSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C(C)C)[C@@H]2CCOC2)cc1Cl ZINC000825954935 633392212 /nfs/dbraw/zinc/39/22/12/633392212.db2.gz CWKQBCFJDBUAQE-CYBMUJFWSA-N 0 1 283.799 3.353 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1Cl ZINC000825954935 633392217 /nfs/dbraw/zinc/39/22/17/633392217.db2.gz CWKQBCFJDBUAQE-CYBMUJFWSA-N 0 1 283.799 3.353 20 10 CGCDMN COCC1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCCC1 ZINC000826834146 633436236 /nfs/dbraw/zinc/43/62/36/633436236.db2.gz MOEJAKOAULKBIK-UHFFFAOYSA-N 0 1 283.799 3.403 20 10 CGCDMN Cc1cc(Cl)cc(C[N@H+]2CCC[C@](O)(C3CC3)C2)c1O ZINC000827151765 633464990 /nfs/dbraw/zinc/46/49/90/633464990.db2.gz JHKJYJCBXXYRPQ-MRXNPFEDSA-N 0 1 295.810 3.091 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000827482273 633493493 /nfs/dbraw/zinc/49/34/93/633493493.db2.gz UURSBPQNLNAIJO-PTEHBNRSSA-N 0 1 282.181 3.043 20 10 CGCDMN CCCN1CC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000827519082 633496173 /nfs/dbraw/zinc/49/61/73/633496173.db2.gz JOWOBTGSXQFEGB-INIZCTEOSA-N 0 1 284.403 3.119 20 10 CGCDMN CCCCCc1cc(C(=O)N2Cc3cccc(O)c3C2)n[nH]1 ZINC000871206147 633726689 /nfs/dbraw/zinc/72/66/89/633726689.db2.gz TWIXNIRJWZVMKV-UHFFFAOYSA-N 0 1 299.374 3.004 20 10 CGCDMN C[C@@H]1C[C@@H](N[C@@H]2CCn3ccnc32)c2c1c(F)ccc2O ZINC000834832876 634251953 /nfs/dbraw/zinc/25/19/53/634251953.db2.gz SIUXNGUGIYKSBU-YUSALJHKSA-N 0 1 287.338 3.011 20 10 CGCDMN CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000834887291 634267900 /nfs/dbraw/zinc/26/79/00/634267900.db2.gz ROXUTHNFWJHAHK-MRCXROJRSA-N 0 1 269.772 3.264 20 10 CGCDMN CCc1nc(CN[C@H](C)c2ccc(C)c(C)c2O)co1 ZINC000834899388 634275442 /nfs/dbraw/zinc/27/54/42/634275442.db2.gz PNZXSZLQICZRRQ-GFCCVEGCSA-N 0 1 274.364 3.410 20 10 CGCDMN CCc1ncc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000834900921 634277651 /nfs/dbraw/zinc/27/76/51/634277651.db2.gz UELZGFHUTOZZHQ-CABZTGNLSA-N 0 1 290.338 3.420 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cc(Cl)ccc1[O-] ZINC000834914503 634286255 /nfs/dbraw/zinc/28/62/55/634286255.db2.gz FXTDWGLBHXSFRU-SCVCMEIPSA-N 0 1 269.772 3.264 20 10 CGCDMN CCO[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000124497346 634347504 /nfs/dbraw/zinc/34/75/04/634347504.db2.gz PCONOZVUNXVLTJ-LBPRGKRZSA-N 0 1 269.772 3.047 20 10 CGCDMN CO[C@H]1C[N@H+](Cc2c([O-])cc(C)cc2Cl)CC[C@@H]1C ZINC000840940127 635087007 /nfs/dbraw/zinc/08/70/07/635087007.db2.gz UWZFFLCAGZHEMN-NHYWBVRUSA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@H]1C[N@@H+](Cc2c([O-])cc(C)cc2Cl)CC[C@@H]1C ZINC000840940127 635087014 /nfs/dbraw/zinc/08/70/14/635087014.db2.gz UWZFFLCAGZHEMN-NHYWBVRUSA-N 0 1 283.799 3.211 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCSC2)c(Cl)c1 ZINC000840940766 635087112 /nfs/dbraw/zinc/08/71/12/635087112.db2.gz KWOXMDYRGMETRR-JTQLQIEISA-N 0 1 271.813 3.197 20 10 CGCDMN C[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(Cl)cc1[O-] ZINC000841746861 635223866 /nfs/dbraw/zinc/22/38/66/635223866.db2.gz LQPORASFCPNCAC-LLVKDONJSA-N 0 1 291.778 3.389 20 10 CGCDMN C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841748548 635223961 /nfs/dbraw/zinc/22/39/61/635223961.db2.gz AOHGNAUVRYXCGG-NWDGAFQWSA-N 0 1 282.815 3.038 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cnn(C)c1 ZINC000841754622 635228890 /nfs/dbraw/zinc/22/88/90/635228890.db2.gz LAWNJDWKIGLDLR-ZJUUUORDSA-N 0 1 279.771 3.191 20 10 CGCDMN CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841762914 635232657 /nfs/dbraw/zinc/23/26/57/635232657.db2.gz KJLPONHCXNIICM-BONVTDFDSA-N 0 1 285.815 3.493 20 10 CGCDMN CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841759020 635233626 /nfs/dbraw/zinc/23/36/26/635233626.db2.gz WZOUTKXPLUZUIV-BBBLOLIVSA-N 0 1 257.761 3.120 20 10 CGCDMN C[C@@H]1CC2(C[N@@H+]1Cc1c([O-])cccc1Cl)CCOCC2 ZINC000843431591 635673585 /nfs/dbraw/zinc/67/35/85/635673585.db2.gz INYCPXWVQCTIQE-GFCCVEGCSA-N 0 1 295.810 3.437 20 10 CGCDMN C[C@@H]1CC2(C[N@H+]1Cc1c([O-])cccc1Cl)CCOCC2 ZINC000843431591 635673587 /nfs/dbraw/zinc/67/35/87/635673587.db2.gz INYCPXWVQCTIQE-GFCCVEGCSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1c(C[NH+]2CCC(C3(O)CC3)CC2)ccc2ccccc21 ZINC000846009364 636128511 /nfs/dbraw/zinc/12/85/11/636128511.db2.gz XZYRHJIAEIZEOU-UHFFFAOYSA-N 0 1 297.398 3.282 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000846052046 636138898 /nfs/dbraw/zinc/13/88/98/636138898.db2.gz JTKYKSNRJWYYFE-LBPRGKRZSA-N 0 1 287.762 3.186 20 10 CGCDMN C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000848565281 636608292 /nfs/dbraw/zinc/60/82/92/636608292.db2.gz HTWABGXRZBHYEA-JTQLQIEISA-N 0 1 299.798 3.113 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H]1CCN1CC)c1cc(Cl)ccc1[O-] ZINC000883355675 636697797 /nfs/dbraw/zinc/69/77/97/636697797.db2.gz WAEGFWBSSUBDQI-TZMCWYRMSA-N 0 1 282.815 3.181 20 10 CGCDMN C[C@H]([NH2+]C1CCC2(COC2)CC1)c1cc(F)ccc1[O-] ZINC000883381924 636725053 /nfs/dbraw/zinc/72/50/53/636725053.db2.gz WDSVZPMGUJMXDL-NSHDSACASA-N 0 1 279.355 3.141 20 10 CGCDMN [NH2+]=C(NCc1cc(Cl)ccc1[O-])NC1CCCCCC1 ZINC000849049949 636732443 /nfs/dbraw/zinc/73/24/43/636732443.db2.gz WBQIKMKVJZUYND-UHFFFAOYSA-N 0 1 295.814 3.382 20 10 CGCDMN C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(Cl)cc1[O-] ZINC000850521229 637100246 /nfs/dbraw/zinc/10/02/46/637100246.db2.gz ROTDINCJCIMTQW-PRHODGIISA-N 0 1 291.725 3.120 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)CC2CCCC2)c1[O-] ZINC000110838383 637706278 /nfs/dbraw/zinc/70/62/78/637706278.db2.gz HLHWQWRPRVQTEY-UHFFFAOYSA-N 0 1 279.355 3.356 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)CNC)c1cc(Cl)cc(Cl)c1[O-] ZINC000854231110 638028277 /nfs/dbraw/zinc/02/82/77/638028277.db2.gz DUPHHXARWLQTDT-PELKAZGASA-N 0 1 291.222 3.348 20 10 CGCDMN COC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000112961107 638139778 /nfs/dbraw/zinc/13/97/78/638139778.db2.gz XLRMPANEOHKRFL-AWEZNQCLSA-N 0 1 285.387 3.404 20 10 CGCDMN COC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000112961107 638139783 /nfs/dbraw/zinc/13/97/83/638139783.db2.gz XLRMPANEOHKRFL-AWEZNQCLSA-N 0 1 285.387 3.404 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000858191799 638655622 /nfs/dbraw/zinc/65/56/22/638655622.db2.gz CBRZCKNJOKMQJK-WOFXILAISA-N 0 1 282.181 3.043 20 10 CGCDMN CCC(F)(F)C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000858258878 638667371 /nfs/dbraw/zinc/66/73/71/638667371.db2.gz JMAKFGVBVWKOJP-UHFFFAOYSA-N 0 1 294.685 3.089 20 10 CGCDMN CN(C)c1ccc(CN(Cc2ccnc(F)c2)C2CC2)cc1 ZINC000859082269 639073957 /nfs/dbraw/zinc/07/39/57/639073957.db2.gz SPGJXRUVGXGUPY-UHFFFAOYSA-N 0 1 299.393 3.451 20 10 CGCDMN C[N@H+](CCc1nccs1)Cc1cc(Cl)ccc1[O-] ZINC000093843884 640782971 /nfs/dbraw/zinc/78/29/71/640782971.db2.gz FDJVUDSIQVQADB-UHFFFAOYSA-N 0 1 282.796 3.177 20 10 CGCDMN C[N@@H+](CCc1nccs1)Cc1cc(Cl)ccc1[O-] ZINC000093843884 640782975 /nfs/dbraw/zinc/78/29/75/640782975.db2.gz FDJVUDSIQVQADB-UHFFFAOYSA-N 0 1 282.796 3.177 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000113329160 640975238 /nfs/dbraw/zinc/97/52/38/640975238.db2.gz FQAMQHRRTPMOAK-HNNXBMFYSA-N 0 1 295.741 3.008 20 10 CGCDMN C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001254185114 806359611 /nfs/dbraw/zinc/35/96/11/806359611.db2.gz WADPCIAWGBGQRT-JTQLQIEISA-N 0 1 299.798 3.256 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c1[O-] ZINC000037322755 798866930 /nfs/dbraw/zinc/86/69/30/798866930.db2.gz VEUUNBXNYXQNQT-PHIMTYICSA-N 0 1 279.355 3.497 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1[O-] ZINC000037322755 798866935 /nfs/dbraw/zinc/86/69/35/798866935.db2.gz VEUUNBXNYXQNQT-PHIMTYICSA-N 0 1 279.355 3.497 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2nc3ccccc3[nH]2)c1 ZINC000315243766 799235408 /nfs/dbraw/zinc/23/54/08/799235408.db2.gz USPFSXIJZXWGKK-NSHDSACASA-N 0 1 297.358 3.128 20 10 CGCDMN CC1(C)CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000388841902 799456868 /nfs/dbraw/zinc/45/68/68/799456868.db2.gz HNYMIGHCPGQHEA-GFCCVEGCSA-N 0 1 251.345 3.447 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@H]1C ZINC000390530718 799472313 /nfs/dbraw/zinc/47/23/13/799472313.db2.gz IJOSRHCZJDQDND-VDDIYKPWSA-N 0 1 284.197 3.289 20 10 CGCDMN CS[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000394998329 799501781 /nfs/dbraw/zinc/50/17/81/799501781.db2.gz ILCRLPBFIYMVSK-LBPRGKRZSA-N 0 1 299.823 3.186 20 10 CGCDMN CS[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000394998329 799501785 /nfs/dbraw/zinc/50/17/85/799501785.db2.gz ILCRLPBFIYMVSK-LBPRGKRZSA-N 0 1 299.823 3.186 20 10 CGCDMN Cc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])sn1 ZINC000404299347 799576091 /nfs/dbraw/zinc/57/60/91/799576091.db2.gz YRNLJQQTYRVQFQ-UHFFFAOYSA-N 0 1 268.769 3.100 20 10 CGCDMN CC(C)c1nn(C)cc1NCc1ccc(F)c(F)c1O ZINC000703330778 799923510 /nfs/dbraw/zinc/92/35/10/799923510.db2.gz ZNHSLERFEUZCHG-UHFFFAOYSA-N 0 1 281.306 3.139 20 10 CGCDMN CCC[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)OCC ZINC000705386996 799948751 /nfs/dbraw/zinc/94/87/51/799948751.db2.gz XQPINIGKSBQYKA-NSHDSACASA-N 0 1 271.788 3.340 20 10 CGCDMN CC1(C)C[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000706833938 799967894 /nfs/dbraw/zinc/96/78/94/799967894.db2.gz MMSZHOCDLZCWRR-NSHDSACASA-N 0 1 270.170 3.043 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711839042 800074740 /nfs/dbraw/zinc/07/47/40/800074740.db2.gz DQQIRVDCKLWPJH-LRDDRELGSA-N 0 1 295.810 3.340 20 10 CGCDMN C[C@@H](NCc1ncc(Cl)s1)c1ccccc1O ZINC000719402178 800238075 /nfs/dbraw/zinc/23/80/75/800238075.db2.gz LQMQEIUCIOIJJR-MRVPVSSYSA-N 0 1 268.769 3.353 20 10 CGCDMN Cc1ccc2c(c1)C[N@H+](Cc1c([O-])cccc1F)CC2 ZINC001137831966 803777764 /nfs/dbraw/zinc/77/77/64/803777764.db2.gz VDBLCTMOWNVXMV-UHFFFAOYSA-N 0 1 271.335 3.398 20 10 CGCDMN CCCCCC[NH+]1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137837538 803780373 /nfs/dbraw/zinc/78/03/73/803780373.db2.gz KWKXDXPBNYDAOO-UHFFFAOYSA-N 0 1 294.414 3.229 20 10 CGCDMN CN(Cc1cncs1)Cc1ccc2c(c1)CCCN2C ZINC001138359082 803902051 /nfs/dbraw/zinc/90/20/51/803902051.db2.gz KBOFBRPLOMDIPW-UHFFFAOYSA-N 0 1 287.432 3.158 20 10 CGCDMN CN1CCCc2cc(CN3CCC[C@@H](F)C3)ccc21 ZINC001138357046 803902672 /nfs/dbraw/zinc/90/26/72/803902672.db2.gz BNFGYXBUQOLBRV-OAHLLOKOSA-N 0 1 262.372 3.003 20 10 CGCDMN Cc1cc(CN(C)Cc2cncs2)ccc1N(C)C ZINC001139674149 804248149 /nfs/dbraw/zinc/24/81/49/804248149.db2.gz RIIHFBTZNMEWOM-UHFFFAOYSA-N 0 1 275.421 3.150 20 10 CGCDMN C[C@H]1C[C@@H](CF)[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140337715 804417854 /nfs/dbraw/zinc/41/78/54/804417854.db2.gz AXDNFPWGSCBMQC-UWVGGRQHSA-N 0 1 257.736 3.226 20 10 CGCDMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140337715 804417859 /nfs/dbraw/zinc/41/78/59/804417859.db2.gz AXDNFPWGSCBMQC-UWVGGRQHSA-N 0 1 257.736 3.226 20 10 CGCDMN C[N@@H+](Cc1ccccc1)Cc1c([O-])cc(F)cc1F ZINC001140579838 804466917 /nfs/dbraw/zinc/46/69/17/804466917.db2.gz IYEWTAKREPYRLR-UHFFFAOYSA-N 0 1 263.287 3.302 20 10 CGCDMN C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140583960 804468502 /nfs/dbraw/zinc/46/85/02/804468502.db2.gz ZUAPBYFIODSNIF-VHSXEESVSA-N 0 1 255.308 3.291 20 10 CGCDMN CC(C)[N@@H+](Cc1c([O-])cc(F)cc1F)C1CCOCC1 ZINC001140585253 804468730 /nfs/dbraw/zinc/46/87/30/804468730.db2.gz BRWFCFJQPWHAEM-UHFFFAOYSA-N 0 1 285.334 3.060 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)[C@@H](C)C1 ZINC001140583961 804468737 /nfs/dbraw/zinc/46/87/37/804468737.db2.gz ZUAPBYFIODSNIF-ZJUUUORDSA-N 0 1 255.308 3.291 20 10 CGCDMN Cc1ccc(CN(C)Cc2ccccc2F)c(O)c1 ZINC001140950364 804557347 /nfs/dbraw/zinc/55/73/47/804557347.db2.gz ZPWXNTFGOLSLKD-UHFFFAOYSA-N 0 1 259.324 3.472 20 10 CGCDMN CN1CCOc2cc(CN3CCCC[C@@](C)(F)C3)ccc21 ZINC001141140849 804596564 /nfs/dbraw/zinc/59/65/64/804596564.db2.gz PSNJSLKIKXFNHD-QGZVFWFLSA-N 0 1 292.398 3.229 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001142534671 804733928 /nfs/dbraw/zinc/73/39/28/804733928.db2.gz RWUUMTHHCDBUGC-UHFFFAOYSA-N 0 1 297.345 3.204 20 10 CGCDMN CC(C)(C)c1cccc(CN2CCCC(=O)CC2)c1O ZINC001143105483 804802823 /nfs/dbraw/zinc/80/28/23/804802823.db2.gz YIILITGXVNXGQJ-UHFFFAOYSA-N 0 1 275.392 3.245 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]CC(=O)c2ccc([O-])c(O)c2)CC(C)(C)C1 ZINC001258688925 807544994 /nfs/dbraw/zinc/54/49/94/807544994.db2.gz ZSJYEQOFQVSAPD-DGCLKSJQSA-N 0 1 291.391 3.085 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)cc1Cl ZINC001184055906 810175610 /nfs/dbraw/zinc/17/56/10/810175610.db2.gz OAANPFYSCWVXSM-CZUORRHYSA-N 0 1 295.810 3.401 20 10 CGCDMN C[C@H]1CCCC[C@@H]1CNC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626232 810921455 /nfs/dbraw/zinc/92/14/55/810921455.db2.gz SSAIDQFLXBMRLY-VHSXEESVSA-N 0 1 297.782 3.307 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001203574281 812397309 /nfs/dbraw/zinc/39/73/09/812397309.db2.gz SLNWEBVJWSDXOO-LLVKDONJSA-N 0 1 290.190 3.046 20 10 CGCDMN Oc1ccc(Br)cc1CN1CCC[C@H]2C[C@H]21 ZINC001203650600 812416294 /nfs/dbraw/zinc/41/62/94/812416294.db2.gz XKMXSMXSPVCJGK-JOYOIKCWSA-N 0 1 282.181 3.139 20 10 CGCDMN CC1(C)CN(Cc2ccc(O)c(O)c2)Cc2ccccc21 ZINC001203879335 812478010 /nfs/dbraw/zinc/47/80/10/812478010.db2.gz IGNXOXMIZIQKCR-UHFFFAOYSA-N 0 1 283.371 3.391 20 10 CGCDMN Oc1ccc(CN2CCC[C@H]2c2cccs2)cc1O ZINC001203878512 812478025 /nfs/dbraw/zinc/47/80/25/812478025.db2.gz HPTOGEHMWLYWDQ-LBPRGKRZSA-N 0 1 275.373 3.496 20 10 CGCDMN Cc1nc2c(s1)CN(Cc1ccc(N(C)C)cc1)CC2 ZINC001203933712 812496371 /nfs/dbraw/zinc/49/63/71/812496371.db2.gz GUHMJAJRCYBPOW-UHFFFAOYSA-N 0 1 287.432 3.076 20 10 CGCDMN CC[N@@H+](Cc1cccs1)Cc1ccc(O)cc1O ZINC001204281499 812596645 /nfs/dbraw/zinc/59/66/45/812596645.db2.gz SCEBLWGMQKEAAT-UHFFFAOYSA-N 0 1 263.362 3.181 20 10 CGCDMN COc1cc(CN(C)Cc2ccc(C)cc2)cc(O)c1O ZINC001204341665 812616401 /nfs/dbraw/zinc/61/64/01/812616401.db2.gz FHLVNXNGYKNYMJ-UHFFFAOYSA-N 0 1 287.359 3.047 20 10 CGCDMN CCCCN(Cc1ccn(CC)n1)Cc1ccccc1O ZINC001205514332 812992539 /nfs/dbraw/zinc/99/25/39/812992539.db2.gz NJCONDSTBPDVQZ-UHFFFAOYSA-N 0 1 287.407 3.411 20 10 CGCDMN COc1cc(C)ccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001206783250 813436314 /nfs/dbraw/zinc/43/63/14/813436314.db2.gz YQDIPGFBQCQIOM-UHFFFAOYSA-N 0 1 283.371 3.268 20 10 CGCDMN COC[C@H](C[NH2+]Cc1ccc(Cl)cc1[O-])C(C)C ZINC001207658818 813629451 /nfs/dbraw/zinc/62/94/51/813629451.db2.gz WVOWMQRIXAAPRG-LBPRGKRZSA-N 0 1 271.788 3.054 20 10 CGCDMN Cc1cccc(C[N@H+](C)Cc2cc(C(=O)[O-])ccc2O)c1 ZINC001231561271 818124241 /nfs/dbraw/zinc/12/42/41/818124241.db2.gz TVQOZYORSWHGRH-UHFFFAOYSA-N 0 1 285.343 3.031 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)CCC1=O ZINC001231587009 818128893 /nfs/dbraw/zinc/12/88/93/818128893.db2.gz PJEJDIJVTNWCOJ-CYBMUJFWSA-N 0 1 283.371 3.346 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)CCC1=O ZINC001231587009 818128897 /nfs/dbraw/zinc/12/88/97/818128897.db2.gz PJEJDIJVTNWCOJ-CYBMUJFWSA-N 0 1 283.371 3.346 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CC[C@@]1(C)O ZINC001231586698 818130346 /nfs/dbraw/zinc/13/03/46/818130346.db2.gz LACNTBVLZSMNJU-FZKQIMNGSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC[C@@]1(C)O ZINC001231586698 818130349 /nfs/dbraw/zinc/13/03/49/818130349.db2.gz LACNTBVLZSMNJU-FZKQIMNGSA-N 0 1 285.387 3.138 20 10 CGCDMN CC[N@H+](CCn1cccn1)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870004 818194265 /nfs/dbraw/zinc/19/42/65/818194265.db2.gz FOLIUZBZSVJFFG-UHFFFAOYSA-N 0 1 293.798 3.073 20 10 CGCDMN CC[N@@H+](CCn1cccn1)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870004 818194270 /nfs/dbraw/zinc/19/42/70/818194270.db2.gz FOLIUZBZSVJFFG-UHFFFAOYSA-N 0 1 293.798 3.073 20 10 CGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C1CCOCC1 ZINC001231878297 818197105 /nfs/dbraw/zinc/19/71/05/818197105.db2.gz HIYKMUTWOMJMNN-UHFFFAOYSA-N 0 1 271.360 3.156 20 10 CGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C1CCOCC1 ZINC001231878297 818197107 /nfs/dbraw/zinc/19/71/07/818197107.db2.gz HIYKMUTWOMJMNN-UHFFFAOYSA-N 0 1 271.360 3.156 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)[C@@H]1CO ZINC001231879997 818200607 /nfs/dbraw/zinc/20/06/07/818200607.db2.gz ZWDPZTFIICVLIS-SUMWQHHRSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])[C@@H]1CO ZINC001231879997 818200615 /nfs/dbraw/zinc/20/06/15/818200615.db2.gz ZWDPZTFIICVLIS-SUMWQHHRSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])[C@@H]1CO ZINC001231879997 818200621 /nfs/dbraw/zinc/20/06/21/818200621.db2.gz ZWDPZTFIICVLIS-SUMWQHHRSA-N 0 1 285.387 3.138 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC001232266815 818298021 /nfs/dbraw/zinc/29/80/21/818298021.db2.gz ZJSOYJMVAZZHTI-JTQLQIEISA-N 0 1 269.772 3.429 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC001232266815 818298023 /nfs/dbraw/zinc/29/80/23/818298023.db2.gz ZJSOYJMVAZZHTI-JTQLQIEISA-N 0 1 269.772 3.429 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC001232266815 818298027 /nfs/dbraw/zinc/29/80/27/818298027.db2.gz ZJSOYJMVAZZHTI-JTQLQIEISA-N 0 1 269.772 3.429 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2cccc(CF)n2)cc1 ZINC001232538140 818380764 /nfs/dbraw/zinc/38/07/64/818380764.db2.gz MVUVAJWQHWQXJM-UHFFFAOYSA-N 0 1 287.382 3.249 20 10 CGCDMN O=C1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H]2CCCC[C@@H]12 ZINC001233074672 818517676 /nfs/dbraw/zinc/51/76/76/818517676.db2.gz RVUBBCXDOWPHAN-YPMHNXCESA-N 0 1 295.329 3.004 20 10 CGCDMN O=C1CC[N@H+](Cc2ccc(F)c(F)c2[O-])[C@H]2CCCC[C@@H]12 ZINC001233074672 818517686 /nfs/dbraw/zinc/51/76/86/818517686.db2.gz RVUBBCXDOWPHAN-YPMHNXCESA-N 0 1 295.329 3.004 20 10 CGCDMN Oc1c(CN2CCC[C@H]2C(F)(F)F)ccc(F)c1F ZINC001233077053 818518551 /nfs/dbraw/zinc/51/85/51/818518551.db2.gz ZHBJBWRINKTBMR-VIFPVBQESA-N 0 1 281.224 3.197 20 10 CGCDMN CCC[N@H+](Cc1c([O-])ccc(F)c1F)CC1CC1 ZINC001233331769 818582975 /nfs/dbraw/zinc/58/29/75/818582975.db2.gz KAXLSIMFJODZGL-UHFFFAOYSA-N 0 1 255.308 3.292 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233332636 818584148 /nfs/dbraw/zinc/58/41/48/818584148.db2.gz RYMFHXAMPRXYBC-JTQLQIEISA-N 0 1 255.308 3.292 20 10 CGCDMN C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2O)C[C@H](C)O1 ZINC001233451349 818623934 /nfs/dbraw/zinc/62/39/34/818623934.db2.gz HHRKKADTWCRDAE-UWVGGRQHSA-N 0 1 289.297 3.020 20 10 CGCDMN Oc1c(CN2CCC[C@@H]2CF)cccc1OC(F)(F)F ZINC001233776163 818702740 /nfs/dbraw/zinc/70/27/40/818702740.db2.gz LRLNKDVQNPRTQZ-SNVBAGLBSA-N 0 1 293.260 3.225 20 10 CGCDMN CC(C)(C)c1ccc(CN2CCOCC23CC3)c(O)c1 ZINC001235677858 819138592 /nfs/dbraw/zinc/13/85/92/819138592.db2.gz HUYKMWZJIPIVLH-UHFFFAOYSA-N 0 1 275.392 3.055 20 10 CGCDMN C[C@@H]1CC[C@@H]([NH3+])CN1Cc1c([O-])ccc(Cl)c1Cl ZINC001235891852 819200251 /nfs/dbraw/zinc/20/02/51/819200251.db2.gz JTKAJAOXVYHJPU-RKDXNWHRSA-N 0 1 289.206 3.011 20 10 CGCDMN CC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795322 819598117 /nfs/dbraw/zinc/59/81/17/819598117.db2.gz CBWLTLKPIGBJGC-SECBINFHSA-N 0 1 288.174 3.110 20 10 CGCDMN COc1ccc(C[N@H+]2CC[C@](C)(CF)C2)c([O-])c1Cl ZINC001236802532 819601215 /nfs/dbraw/zinc/60/12/15/819601215.db2.gz RZHNXKKLZCEOFQ-CQSZACIVSA-N 0 1 287.762 3.236 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2[O-])CCCC1=O ZINC001236826854 819610636 /nfs/dbraw/zinc/61/06/36/819610636.db2.gz OONMXNZRTWOWCI-CYBMUJFWSA-N 0 1 283.371 3.346 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2[O-])CCCC1=O ZINC001236826854 819610631 /nfs/dbraw/zinc/61/06/31/819610631.db2.gz OONMXNZRTWOWCI-CYBMUJFWSA-N 0 1 283.371 3.346 20 10 CGCDMN Cc1ncc(CN(C)Cc2cc3ccccc3cc2O)cn1 ZINC001236837118 819617238 /nfs/dbraw/zinc/61/72/38/819617238.db2.gz OKPHXTPHNLZBSO-UHFFFAOYSA-N 0 1 293.370 3.276 20 10 CGCDMN Oc1cc2ccccc2cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001236842520 819618677 /nfs/dbraw/zinc/61/86/77/819618677.db2.gz WROZGDFXBWMQQO-SFHVURJKSA-N 0 1 296.414 3.216 20 10 CGCDMN Oc1cc2ccccc2cc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001236842520 819618679 /nfs/dbraw/zinc/61/86/79/819618679.db2.gz WROZGDFXBWMQQO-SFHVURJKSA-N 0 1 296.414 3.216 20 10 CGCDMN CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)C1 ZINC001237049991 819651969 /nfs/dbraw/zinc/65/19/69/819651969.db2.gz VJJXFSNRHLHRGX-OAHLLOKOSA-N 0 1 275.392 3.317 20 10 CGCDMN CC(C)c1ccc(CN2CCc3ncccc3C2)c(O)c1 ZINC001237053880 819655503 /nfs/dbraw/zinc/65/55/03/819655503.db2.gz PNWWTIUJFOXWHX-UHFFFAOYSA-N 0 1 282.387 3.469 20 10 CGCDMN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(F)(F)F)ccc1O ZINC001237136701 819675269 /nfs/dbraw/zinc/67/52/69/819675269.db2.gz UFDKAKHJKKEROO-TXEJJXNPSA-N 0 1 299.292 3.107 20 10 CGCDMN CCN(Cc1cc2ccccn2n1)Cc1ccccc1O ZINC001237448714 819751649 /nfs/dbraw/zinc/75/16/49/819751649.db2.gz DZOMOZBCTYQHGA-UHFFFAOYSA-N 0 1 281.359 3.062 20 10 CGCDMN Cc1cc(Cl)cc(CN2C[C@@H](F)C[C@H]2C)c1O ZINC001237680667 819805128 /nfs/dbraw/zinc/80/51/28/819805128.db2.gz GRNUSKVXPODFKL-SKDRFNHKSA-N 0 1 257.736 3.286 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cc(F)cc(Cl)c2[O-])CCCO1 ZINC001237800042 819845424 /nfs/dbraw/zinc/84/54/24/819845424.db2.gz VMPYULBAZPNNRD-UHFFFAOYSA-N 0 1 287.762 3.186 20 10 CGCDMN CC[N@@H+](Cc1cccnc1)Cc1cc(F)cc(C)c1O ZINC001238061228 819920280 /nfs/dbraw/zinc/92/02/80/819920280.db2.gz FJTPYVFBNNHSGH-UHFFFAOYSA-N 0 1 274.339 3.257 20 10 CGCDMN Cc1cccnc1CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000404731175 926810733 /nfs/dbraw/zinc/81/07/33/926810733.db2.gz RCEJWAXGMUHGCV-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN Cc1ccoc1C[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001462282030 937630041 /nfs/dbraw/zinc/63/00/41/937630041.db2.gz UTOOMERFGLSEKL-UHFFFAOYSA-N 0 1 267.275 3.204 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001324275757 934480474 /nfs/dbraw/zinc/48/04/74/934480474.db2.gz VCKDCUUMSXKPNA-BONVTDFDSA-N 0 1 299.773 3.186 20 10 CGCDMN CC[C@H]1CO[C@H](C)CN1Cc1ccc(N2CCCC2)cc1 ZINC001324711561 934554453 /nfs/dbraw/zinc/55/44/53/934554453.db2.gz GMAPTSNJZVUUAZ-WBVHZDCISA-N 0 1 288.435 3.286 20 10 CGCDMN Cc1nccnc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC001330657981 935308362 /nfs/dbraw/zinc/30/83/62/935308362.db2.gz ROJJLBFHURREGK-UHFFFAOYSA-N 0 1 298.434 3.262 20 10 CGCDMN F[C@]1(c2ccccc2)C[C@H]1NCc1ccc2c(c1)CCO2 ZINC001474186526 937843340 /nfs/dbraw/zinc/84/33/40/937843340.db2.gz IEZJUEQTBMHJGV-MSOLQXFVSA-N 0 1 283.346 3.348 20 10 CGCDMN CC[C@@]1(C)CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001474349030 937853629 /nfs/dbraw/zinc/85/36/29/937853629.db2.gz NYOUFIHPZSYXKR-AWEZNQCLSA-N 0 1 255.308 3.292 20 10 CGCDMN CN1CC[N@H+](Cc2ccc3ccccc3c2[O-])CCC1(C)C ZINC001560953667 938286107 /nfs/dbraw/zinc/28/61/07/938286107.db2.gz TWGHZJIDUAKBKA-UHFFFAOYSA-N 0 1 298.430 3.462 20 10 CGCDMN CN1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CCC1(C)C ZINC001560953667 938286109 /nfs/dbraw/zinc/28/61/09/938286109.db2.gz TWGHZJIDUAKBKA-UHFFFAOYSA-N 0 1 298.430 3.462 20 10 CGCDMN COc1cccc(CNC(C)(C)c2nc(C)cs2)c1O ZINC000116382243 370559763 /nfs/dbraw/zinc/55/97/63/370559763.db2.gz DVHLLQZBOXSGHL-UHFFFAOYSA-N 0 1 292.404 3.191 20 10 CGCDMN C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc2c(c1)CCO2 ZINC000288609935 371740935 /nfs/dbraw/zinc/74/09/35/371740935.db2.gz QLXKXMWILAIRMT-SGTLLEGYSA-N 0 1 281.355 3.233 20 10 CGCDMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000290333725 371966111 /nfs/dbraw/zinc/96/61/11/371966111.db2.gz DXDNTAHZONMFRO-AWEZNQCLSA-N 0 1 271.364 3.069 20 10 CGCDMN CO[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000293567908 372413398 /nfs/dbraw/zinc/41/33/98/372413398.db2.gz BBASRKJNJBJFFP-OTYXRUKQSA-N 0 1 269.772 3.121 20 10 CGCDMN CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168777082 372619153 /nfs/dbraw/zinc/61/91/53/372619153.db2.gz XOTFUBSYEUTPHB-WBMJQRKESA-N 0 1 273.376 3.213 20 10 CGCDMN CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168776998 372619336 /nfs/dbraw/zinc/61/93/36/372619336.db2.gz XOTFUBSYEUTPHB-MLGOLLRUSA-N 0 1 273.376 3.213 20 10 CGCDMN CC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(C)(C)O ZINC000294929053 372679990 /nfs/dbraw/zinc/67/99/90/372679990.db2.gz HHZXSBLQHZNNHI-NOZJJQNGSA-N 0 1 271.788 3.246 20 10 CGCDMN Cc1cccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1O ZINC000180545178 374020135 /nfs/dbraw/zinc/02/01/35/374020135.db2.gz FZPWYDFYKOLTAT-OAHLLOKOSA-N 0 1 289.400 3.336 20 10 CGCDMN Cc1cccc(CN2CCO[C@@H](c3ccsc3)C2)c1O ZINC000180545178 374020138 /nfs/dbraw/zinc/02/01/38/374020138.db2.gz FZPWYDFYKOLTAT-OAHLLOKOSA-N 0 1 289.400 3.336 20 10 CGCDMN C[N@H+](CCc1nccs1)Cc1c([O-])cccc1Cl ZINC000271218788 378483391 /nfs/dbraw/zinc/48/33/91/378483391.db2.gz OAAQOUCIZYLHKS-UHFFFAOYSA-N 0 1 282.796 3.177 20 10 CGCDMN C[N@@H+](CCc1nccs1)Cc1c([O-])cccc1Cl ZINC000271218788 378483394 /nfs/dbraw/zinc/48/33/94/378483394.db2.gz OAAQOUCIZYLHKS-UHFFFAOYSA-N 0 1 282.796 3.177 20 10 CGCDMN CCC[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273561322 378752080 /nfs/dbraw/zinc/75/20/80/378752080.db2.gz IDCQNGXMTDBBEV-YGRLFVJLSA-N 0 1 271.788 3.247 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000184677644 262025937 /nfs/dbraw/zinc/02/59/37/262025937.db2.gz OBMGMDKCIKCAQY-UHFFFAOYSA-N 0 1 257.761 3.285 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000184677644 262025939 /nfs/dbraw/zinc/02/59/39/262025939.db2.gz OBMGMDKCIKCAQY-UHFFFAOYSA-N 0 1 257.761 3.285 20 10 CGCDMN CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185113994 262042108 /nfs/dbraw/zinc/04/21/08/262042108.db2.gz VXEZPAQMUJZVEV-JQWIXIFHSA-N 0 1 271.788 3.103 20 10 CGCDMN COc1cccc(CN2CCc3ccc(F)cc3C2)c1O ZINC000093383785 392237967 /nfs/dbraw/zinc/23/79/67/392237967.db2.gz AYKHQQTWQBILKT-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN Oc1ccccc1CN1CCO[C@H](c2ccsc2)C1 ZINC000179582133 392704800 /nfs/dbraw/zinc/70/48/00/392704800.db2.gz NKPWQRHDXGPYPC-HNNXBMFYSA-N 0 1 275.373 3.027 20 10 CGCDMN CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000193454516 392877565 /nfs/dbraw/zinc/87/75/65/392877565.db2.gz QISKVPSJTVDPTM-SFHVURJKSA-N 0 1 281.403 3.485 20 10 CGCDMN C[C@@](O)(C[NH2+]Cc1c([O-])cccc1Cl)c1cccs1 ZINC000153010007 261072294 /nfs/dbraw/zinc/07/22/94/261072294.db2.gz DLBYAYVNCXKVKY-CQSZACIVSA-N 0 1 297.807 3.104 20 10 CGCDMN CCc1nc(CSc2ncc(-c3ccccc3)n2C)n[nH]1 ZINC000181738022 261909585 /nfs/dbraw/zinc/90/95/85/261909585.db2.gz FTLPVYDSBOOPQU-UHFFFAOYSA-N 0 1 299.403 3.060 20 10 CGCDMN COc1cc(Cl)cc(CN(C)Cc2cccnc2)c1O ZINC000184713219 262027228 /nfs/dbraw/zinc/02/72/28/262027228.db2.gz YASXSNZUHOQZOS-UHFFFAOYSA-N 0 1 292.766 3.081 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000189340051 264291389 /nfs/dbraw/zinc/29/13/89/264291389.db2.gz MDZAWIXUVZVVNW-GUTXKFCHSA-N 0 1 285.387 3.357 20 10 CGCDMN COc1cccc(CN2CC(C)(C)[C@H]2c2ccncc2)c1O ZINC000294094219 265007253 /nfs/dbraw/zinc/00/72/53/265007253.db2.gz ZTAFHIOSXNLIDI-QGZVFWFLSA-N 0 1 298.386 3.379 20 10 CGCDMN CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000124512529 288333029 /nfs/dbraw/zinc/33/30/29/288333029.db2.gz AVMDMTQNDRZNBI-PWSUYJOCSA-N 0 1 269.772 3.045 20 10 CGCDMN CCN(CC)c1ccc(CN[C@@H](C)c2cnccn2)cc1 ZINC000178228661 327792970 /nfs/dbraw/zinc/79/29/70/327792970.db2.gz SKESUYUOGSZLEL-AWEZNQCLSA-N 0 1 284.407 3.174 20 10 CGCDMN CC[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])OC ZINC000290049181 328257760 /nfs/dbraw/zinc/25/77/60/328257760.db2.gz DYVFPRINMWVZSY-ONGXEEELSA-N 0 1 257.761 3.121 20 10 CGCDMN CCOc1ccc(O)c(CN[C@@H](C)c2ncccc2F)c1 ZINC000527825853 330286753 /nfs/dbraw/zinc/28/67/53/330286753.db2.gz DSCOTSRBBVRPFW-NSHDSACASA-N 0 1 290.338 3.176 20 10 CGCDMN C[C@@H]([NH2+]CC1CC1)c1ccc(Br)cc1[O-] ZINC000134912325 334108202 /nfs/dbraw/zinc/10/82/02/334108202.db2.gz WWDRUYRBNQUYQZ-MRVPVSSYSA-N 0 1 270.170 3.215 20 10 CGCDMN COC[C@H](NCc1cc(C)c(C)cc1O)c1ccc(C)o1 ZINC000080238017 522747460 /nfs/dbraw/zinc/74/74/60/522747460.db2.gz ICOCLGFYNPNYLZ-HNNXBMFYSA-N 0 1 289.375 3.388 20 10 CGCDMN CCc1nocc1CN(C)Cc1ccc(N(C)C)c(C)c1 ZINC000293399571 522932381 /nfs/dbraw/zinc/93/23/81/522932381.db2.gz LLMURAHUQIJTJH-UHFFFAOYSA-N 0 1 287.407 3.243 20 10 CGCDMN CC[C@@H](N[C@H](C)c1nnc(C(C)C)[nH]1)c1ccccc1O ZINC000274812124 522940061 /nfs/dbraw/zinc/94/00/61/522940061.db2.gz YDKTZHRUKFXXEW-DGCLKSJQSA-N 0 1 288.395 3.436 20 10 CGCDMN Cc1ccc(O)c(CN2CCC[C@H]2c2nccs2)c1 ZINC000374299478 525343593 /nfs/dbraw/zinc/34/35/93/525343593.db2.gz BNIGOALIFNZQPB-ZDUSSCGKSA-N 0 1 274.389 3.494 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000278710990 527523994 /nfs/dbraw/zinc/52/39/94/527523994.db2.gz RVPKNGDUTGCXOM-UHFFFAOYSA-N 0 1 295.810 3.078 20 10 CGCDMN COc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1F ZINC000733322165 572555296 /nfs/dbraw/zinc/55/52/96/572555296.db2.gz AWLXNQWRQWGVRD-UHFFFAOYSA-N 0 1 295.741 3.483 20 10 CGCDMN CCC[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1O ZINC000737019361 572839922 /nfs/dbraw/zinc/83/99/22/572839922.db2.gz HRMSITLUAFPASP-UHFFFAOYSA-N 0 1 289.331 3.096 20 10 CGCDMN C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000232180860 623367577 /nfs/dbraw/zinc/36/75/77/623367577.db2.gz WYDGZCCAKRQPNC-SKDRFNHKSA-N 0 1 284.197 3.433 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121241660 618100880 /nfs/dbraw/zinc/10/08/80/618100880.db2.gz BEOAZZAKOSBBDI-LLVKDONJSA-N 0 1 291.782 3.148 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121241660 618100888 /nfs/dbraw/zinc/10/08/88/618100888.db2.gz BEOAZZAKOSBBDI-LLVKDONJSA-N 0 1 291.782 3.148 20 10 CGCDMN C[C@H](C[N@@H+](C)Cc1cc(F)cc(F)c1[O-])c1nccs1 ZINC000894450022 619538176 /nfs/dbraw/zinc/53/81/76/619538176.db2.gz WTUVKCLBKNBEQJ-SECBINFHSA-N 0 1 298.358 3.362 20 10 CGCDMN C[C@@]12CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C[C@@H]1C2(F)F ZINC000894829312 619646117 /nfs/dbraw/zinc/64/61/17/619646117.db2.gz QJCCTJWQXOZMSI-WCQYABFASA-N 0 1 289.272 3.148 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000895073453 619712895 /nfs/dbraw/zinc/71/28/95/619712895.db2.gz HMMZKKYRAKHYPK-NHYWBVRUSA-N 0 1 297.345 3.061 20 10 CGCDMN CCO[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000897068283 620133420 /nfs/dbraw/zinc/13/34/20/620133420.db2.gz TUUBIDLFMQNJHA-HNNXBMFYSA-N 0 1 271.360 3.156 20 10 CGCDMN CCO[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000897068283 620133421 /nfs/dbraw/zinc/13/34/21/620133421.db2.gz TUUBIDLFMQNJHA-HNNXBMFYSA-N 0 1 271.360 3.156 20 10 CGCDMN CCO[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000897068283 620133422 /nfs/dbraw/zinc/13/34/22/620133422.db2.gz TUUBIDLFMQNJHA-HNNXBMFYSA-N 0 1 271.360 3.156 20 10 CGCDMN COc1ncccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841745644 620351890 /nfs/dbraw/zinc/35/18/90/620351890.db2.gz RRYZZVAHCCEHRI-JTQLQIEISA-N 0 1 292.766 3.300 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c(Cl)c1 ZINC000897776690 620427887 /nfs/dbraw/zinc/42/78/87/620427887.db2.gz UXPOSJLMXSIWQD-FZWSLVFFSA-N 0 1 295.810 3.401 20 10 CGCDMN C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1cc(F)ccc1[O-] ZINC000927069846 620570337 /nfs/dbraw/zinc/57/03/37/620570337.db2.gz NJLHVGRMIKTEKW-PPHDSNJXSA-N 0 1 293.382 3.387 20 10 CGCDMN CC[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000903300478 621667749 /nfs/dbraw/zinc/66/77/49/621667749.db2.gz IPSZBUVOLWGNAX-SWHYSGLUSA-N 0 1 282.815 3.179 20 10 CGCDMN C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1cc(F)ccc1[O-] ZINC000903363943 621715229 /nfs/dbraw/zinc/71/52/29/621715229.db2.gz RKXARKTXYWVYKX-MQIPJXDCSA-N 0 1 291.366 3.141 20 10 CGCDMN CN(C)c1ccc(CN(Cc2ccccn2)C2CC2)cc1 ZINC000170928270 623113131 /nfs/dbraw/zinc/11/31/31/623113131.db2.gz HQCSKRNPHLHFEH-UHFFFAOYSA-N 0 1 281.403 3.312 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1cc(Cl)cc(Cl)c1[O-] ZINC000817978244 625629714 /nfs/dbraw/zinc/62/97/14/625629714.db2.gz YWFXNAUOEOPWMP-UBJUHAIHSA-N 0 1 291.222 3.475 20 10 CGCDMN CN(C)c1ccc(CN(C/C=C/Cl)C2CC2)cc1 ZINC000917073914 624233257 /nfs/dbraw/zinc/23/32/57/624233257.db2.gz HPLADHAHZGURNC-XCVCLJGOSA-N 0 1 264.800 3.470 20 10 CGCDMN CN(C)c1ccc(CN(C/C=C\Cl)C2CC2)cc1 ZINC000917073913 624233276 /nfs/dbraw/zinc/23/32/76/624233276.db2.gz HPLADHAHZGURNC-KMKOMSMNSA-N 0 1 264.800 3.470 20 10 CGCDMN Cc1cc(Cl)cc(CN2CC3(CC(F)C3)C2)c1O ZINC000839139742 626322455 /nfs/dbraw/zinc/32/24/55/626322455.db2.gz KSDJOFUGSFRADO-UHFFFAOYSA-N 0 1 269.747 3.288 20 10 CGCDMN CCOc1ccc(CN2CC(CC(F)(F)F)C2)c(O)c1 ZINC000839139047 626322660 /nfs/dbraw/zinc/32/26/60/626322660.db2.gz WZAMUHKMCMTPRO-UHFFFAOYSA-N 0 1 289.297 3.175 20 10 CGCDMN CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756624122 626721480 /nfs/dbraw/zinc/72/14/80/626721480.db2.gz DJOXGCCESFNWMP-FMCLSXCISA-N 0 1 295.398 3.466 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)c2c1c(F)ccc2[O-] ZINC000756644344 626724289 /nfs/dbraw/zinc/72/42/89/626724289.db2.gz ARQYGEGDEDQFPL-HKUMRIAESA-N 0 1 293.382 3.220 20 10 CGCDMN C[C@@H]1C[C@H](NCc2ncccc2F)c2c1c(F)ccc2O ZINC000756768183 626729758 /nfs/dbraw/zinc/72/97/58/626729758.db2.gz KQLKVKPZQKIFDB-SKDRFNHKSA-N 0 1 290.313 3.404 20 10 CGCDMN CO[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000756836073 626736021 /nfs/dbraw/zinc/73/60/21/626736021.db2.gz SCVZXSCHKFEWAR-WRWORJQWSA-N 0 1 297.704 3.274 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCNc1ccccc1 ZINC000757686117 626800668 /nfs/dbraw/zinc/80/06/68/626800668.db2.gz VVYZFIRIVHXFEM-UHFFFAOYSA-N 0 1 276.767 3.247 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000758558525 626848810 /nfs/dbraw/zinc/84/88/10/626848810.db2.gz HFKDPICDVODPNP-CYBMUJFWSA-N 0 1 289.762 3.008 20 10 CGCDMN C/C=C\C[C@@H](NCc1cccc(Cl)c1O)C(=O)OCC ZINC000763358761 627153816 /nfs/dbraw/zinc/15/38/16/627153816.db2.gz MOLNAVNBTQAIEO-HSBHDXMMSA-N 0 1 297.782 3.033 20 10 CGCDMN CCOc1ccc(CN(C)Cc2cnc(C)s2)c(O)c1 ZINC000768913261 627508721 /nfs/dbraw/zinc/50/87/21/627508721.db2.gz JUAVZSUWBJNROQ-UHFFFAOYSA-N 0 1 292.404 3.188 20 10 CGCDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769470017 627556990 /nfs/dbraw/zinc/55/69/90/627556990.db2.gz JEESKHLFGZHVEB-DTWKUNHWSA-N 0 1 284.743 3.184 20 10 CGCDMN COc1cccc(O)c1CN1CC[C@H]1c1cccc(F)c1 ZINC000769509384 627560988 /nfs/dbraw/zinc/56/09/88/627560988.db2.gz XHDPSXMQJNXQSY-HNNXBMFYSA-N 0 1 287.334 3.487 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769518751 627562505 /nfs/dbraw/zinc/56/25/05/627562505.db2.gz BIGVBAOAGLVBMG-ZDUSSCGKSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769518751 627562509 /nfs/dbraw/zinc/56/25/09/627562509.db2.gz BIGVBAOAGLVBMG-ZDUSSCGKSA-N 0 1 295.810 3.294 20 10 CGCDMN C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccccc1O ZINC000770506225 627623392 /nfs/dbraw/zinc/62/33/92/627623392.db2.gz ZNHMRJKMHOALJP-FZKQIMNGSA-N 0 1 283.371 3.216 20 10 CGCDMN CCC[N@@H+](CC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000771935671 627746622 /nfs/dbraw/zinc/74/66/22/627746622.db2.gz SAMRPACXPWIFSM-UHFFFAOYSA-N 0 1 272.732 3.186 20 10 CGCDMN Cc1cc(CN[C@H](C)c2cncs2)ccc1N(C)C ZINC000772996590 627838767 /nfs/dbraw/zinc/83/87/67/627838767.db2.gz FOKOMDKSAWOWGV-GFCCVEGCSA-N 0 1 275.421 3.368 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775503676 628101864 /nfs/dbraw/zinc/10/18/64/628101864.db2.gz MDUTYFYBVYXSSD-UKRRQHHQSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000775533776 628103847 /nfs/dbraw/zinc/10/38/47/628103847.db2.gz PJFGMRCQWHHMFR-BXKDBHETSA-N 0 1 271.788 3.246 20 10 CGCDMN 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LBIHPIJYXQKATN-GFCCVEGCSA-N 0 1 274.364 3.410 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000834912936 634285667 /nfs/dbraw/zinc/28/56/67/634285667.db2.gz YGXJLWDCOCJYNC-VXGBXAGGSA-N 0 1 281.371 3.387 20 10 CGCDMN C[C@@H]1CC[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])O1 ZINC000835087993 634350404 /nfs/dbraw/zinc/35/04/04/634350404.db2.gz SGKGZWLURHQHPB-IUODEOHRSA-N 0 1 271.360 3.203 20 10 CGCDMN CC[C@@H](NCc1ccn(CC)n1)c1ccc(N(C)C)cc1 ZINC000840839657 635061730 /nfs/dbraw/zinc/06/17/30/635061730.db2.gz PVGZAYKRUGBZJM-QGZVFWFLSA-N 0 1 286.423 3.210 20 10 CGCDMN CCn1ccc(CN[C@H](C)c2c(C)cc(C)cc2O)n1 ZINC000840841253 635062507 /nfs/dbraw/zinc/06/25/07/635062507.db2.gz YMHRIIFLVPAHJS-CYBMUJFWSA-N 0 1 273.380 3.076 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H](O)C(C)C ZINC000840882125 635073442 /nfs/dbraw/zinc/07/34/42/635073442.db2.gz MKWAMVRJFRQNTP-VZJVUDMVSA-N 0 1 285.815 3.492 20 10 CGCDMN Cc1ccc([C@@H](O)C[NH2+]Cc2c([O-])cc(C)cc2Cl)o1 ZINC000840897734 635078087 /nfs/dbraw/zinc/07/80/87/635078087.db2.gz AFBDUKUAUQHJGR-AWEZNQCLSA-N 0 1 295.766 3.079 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOC(C)(C)C2)c(Cl)c1 ZINC000840908164 635080103 /nfs/dbraw/zinc/08/01/03/635080103.db2.gz VPNAXHULDWDXSH-LLVKDONJSA-N 0 1 283.799 3.401 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@H](C)C2)c(Cl)c1 ZINC000840908878 635080400 /nfs/dbraw/zinc/08/04/00/635080400.db2.gz YPMPVXQWZHSTLX-WDEREUQCSA-N 0 1 269.772 3.011 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c(Cl)c1 ZINC000840917467 635083084 /nfs/dbraw/zinc/08/30/84/635083084.db2.gz MEABOKBMVOQSMQ-NEPJUHHUSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c(Cl)c1 ZINC000840917467 635083087 /nfs/dbraw/zinc/08/30/87/635083087.db2.gz MEABOKBMVOQSMQ-NEPJUHHUSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN1CCO[C@H](C2CCC2)C1 ZINC000840954030 635092538 /nfs/dbraw/zinc/09/25/38/635092538.db2.gz FPQRNMGGTCYALM-SFHVURJKSA-N 0 1 288.435 3.062 20 10 CGCDMN Cc1ccc(CNc2ccc3c(n2)CCC3)c(O)c1 ZINC000877572722 635098677 /nfs/dbraw/zinc/09/86/77/635098677.db2.gz RWRZTEDEFDCCHQ-UHFFFAOYSA-N 0 1 254.333 3.196 20 10 CGCDMN C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841747345 635223973 /nfs/dbraw/zinc/22/39/73/635223973.db2.gz AOFFAZSKUPPPEE-CBAPKCEASA-N 0 1 297.704 3.010 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(C)(C)O ZINC000841753370 635225488 /nfs/dbraw/zinc/22/54/88/635225488.db2.gz HGXHARXGLSWVFH-ZANVPECISA-N 0 1 271.788 3.246 20 10 CGCDMN C[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(Cl)cc1[O-] ZINC000841751021 635225632 /nfs/dbraw/zinc/22/56/32/635225632.db2.gz FAZAZCDIJFBVDI-TVQRCGJNSA-N 0 1 297.807 3.491 20 10 CGCDMN CC[C@@H](COC)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841754217 635228519 /nfs/dbraw/zinc/22/85/19/635228519.db2.gz JAWGUGRJCXLXTD-KOLCDFICSA-N 0 1 257.761 3.121 20 10 CGCDMN CO[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(C)C ZINC000841754171 635229194 /nfs/dbraw/zinc/22/91/94/635229194.db2.gz IELRJGGLJOSGGH-YGRLFVJLSA-N 0 1 271.788 3.367 20 10 CGCDMN CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757910 635232179 /nfs/dbraw/zinc/23/21/79/635232179.db2.gz GILZDPRXVKVQES-BDAKNGLRSA-N 0 1 259.802 3.448 20 10 CGCDMN CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])CC(C)C ZINC000841888532 635247501 /nfs/dbraw/zinc/24/75/01/635247501.db2.gz KXWSUQRMCSBIMD-CYBMUJFWSA-N 0 1 271.788 3.196 20 10 CGCDMN C[C@H]([NH2+]Cc1ccc(CO)cc1)c1ccc(Cl)cc1[O-] ZINC000842894500 635507627 /nfs/dbraw/zinc/50/76/27/635507627.db2.gz HQWPUHSSOWSKTG-NSHDSACASA-N 0 1 291.778 3.389 20 10 CGCDMN CCCCN(Cc1nocc1C)Cc1ccccc1O ZINC000878565883 635557949 /nfs/dbraw/zinc/55/79/49/635557949.db2.gz VFVSOTAMLVZHPC-UHFFFAOYSA-N 0 1 274.364 3.491 20 10 CGCDMN CSC(C)(C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000128213951 635919201 /nfs/dbraw/zinc/91/92/01/635919201.db2.gz MTIOZFCKKDBTEA-UHFFFAOYSA-N 0 1 259.802 3.277 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844755108 635959557 /nfs/dbraw/zinc/95/95/57/635959557.db2.gz ACADVBRIVMHBRP-OAHLLOKOSA-N 0 1 290.313 3.172 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844755108 635959559 /nfs/dbraw/zinc/95/95/59/635959559.db2.gz ACADVBRIVMHBRP-OAHLLOKOSA-N 0 1 290.313 3.172 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCCC(F)(F)C1 ZINC000846013981 636129671 /nfs/dbraw/zinc/12/96/71/636129671.db2.gz GMORCIIFPQWIPJ-UHFFFAOYSA-N 0 1 279.689 3.416 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000846042761 636137456 /nfs/dbraw/zinc/13/74/56/636137456.db2.gz PDHBNQIGWCOZBP-MRXNPFEDSA-N 0 1 295.810 3.340 20 10 CGCDMN CC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@@H](C)CO1 ZINC000846045414 636137937 /nfs/dbraw/zinc/13/79/37/636137937.db2.gz XCSUYSBLXUCUDA-CABZTGNLSA-N 0 1 287.762 3.184 20 10 CGCDMN CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846056385 636139583 /nfs/dbraw/zinc/13/95/83/636139583.db2.gz OLBFOTDNHKHBSM-TZMCWYRMSA-N 0 1 269.772 3.093 20 10 CGCDMN CCn1ccnc1[C@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846168630 636152025 /nfs/dbraw/zinc/15/20/25/636152025.db2.gz LFWAZQKYZUHWIP-NEPJUHHUSA-N 0 1 289.379 3.029 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000848560698 636606829 /nfs/dbraw/zinc/60/68/29/636606829.db2.gz QCYGMMHBOZUHQD-JKSUJKDBSA-N 0 1 295.810 3.483 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1CCCCO1 ZINC000848575590 636614031 /nfs/dbraw/zinc/61/40/31/636614031.db2.gz SUIKUKCRALTQLM-UKRRQHHQSA-N 0 1 283.799 3.483 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2SCCS2)c(Cl)c1 ZINC000850402823 637049447 /nfs/dbraw/zinc/04/94/47/637049447.db2.gz XWNAPKMHSQGZPH-UHFFFAOYSA-N 0 1 289.853 3.250 20 10 CGCDMN C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000850483406 637086978 /nfs/dbraw/zinc/08/69/78/637086978.db2.gz XEUWLKTWAKGUFH-GXSJLCMTSA-N 0 1 269.772 3.264 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])C1(CO)CC1 ZINC000850516953 637100417 /nfs/dbraw/zinc/10/04/17/637100417.db2.gz ZWQGJQJVOYLNCF-QWHCGFSZSA-N 0 1 285.387 3.357 20 10 CGCDMN CCCCN(Cc1coc(C)n1)Cc1ccccc1O ZINC000852018640 637573768 /nfs/dbraw/zinc/57/37/68/637573768.db2.gz OZVJUTXBNUESBO-UHFFFAOYSA-N 0 1 274.364 3.491 20 10 CGCDMN COCC1([NH2+]Cc2cc(Cl)ccc2[O-])CCCCC1 ZINC000853090917 637754786 /nfs/dbraw/zinc/75/47/86/637754786.db2.gz IGRPKULJLAEKTP-UHFFFAOYSA-N 0 1 283.799 3.485 20 10 CGCDMN C[N@H+](CC1=CCSC1)Cc1c([O-])ccc2ccncc21 ZINC000853619050 637874169 /nfs/dbraw/zinc/87/41/69/637874169.db2.gz SSDUMKLYDAIUPV-UHFFFAOYSA-N 0 1 286.400 3.045 20 10 CGCDMN C[N@@H+](CC1=CCSC1)Cc1c([O-])ccc2ccncc21 ZINC000853619050 637874174 /nfs/dbraw/zinc/87/41/74/637874174.db2.gz SSDUMKLYDAIUPV-UHFFFAOYSA-N 0 1 286.400 3.045 20 10 CGCDMN CCOc1cccc(CN[C@@H](CC)c2nccs2)c1O ZINC000078004262 640276794 /nfs/dbraw/zinc/27/67/94/640276794.db2.gz SORROTANJVLCKG-LBPRGKRZSA-N 0 1 292.404 3.488 20 10 CGCDMN C[N@H+](CCC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000093686636 640780545 /nfs/dbraw/zinc/78/05/45/640780545.db2.gz DKIRFCUOGVFFOS-UHFFFAOYSA-N 0 1 299.798 3.209 20 10 CGCDMN C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000093686636 640780549 /nfs/dbraw/zinc/78/05/49/640780549.db2.gz DKIRFCUOGVFFOS-UHFFFAOYSA-N 0 1 299.798 3.209 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000037565491 798868665 /nfs/dbraw/zinc/86/86/65/798868665.db2.gz DLDGMLBITABLMV-LBPRGKRZSA-N 0 1 273.763 3.475 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCSC1 ZINC000384178026 799413202 /nfs/dbraw/zinc/41/32/02/799413202.db2.gz VZSJBSBTXUOQDC-SNVBAGLBSA-N 0 1 271.813 3.278 20 10 CGCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1(CN)CCC1 ZINC000385164654 799423212 /nfs/dbraw/zinc/42/32/12/799423212.db2.gz AOALZKFMWPLSDO-UHFFFAOYSA-N 0 1 289.206 3.012 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1(CN)CCC1 ZINC000385164654 799423215 /nfs/dbraw/zinc/42/32/15/799423215.db2.gz AOALZKFMWPLSDO-UHFFFAOYSA-N 0 1 289.206 3.012 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403503280 799567329 /nfs/dbraw/zinc/56/73/29/799567329.db2.gz ZEDXYTDXUZSILB-GMTAPVOTSA-N 0 1 251.757 3.324 20 10 CGCDMN CO[C@@H](C)C[N@H+](Cc1cc(Cl)ccc1[O-])C(C)C ZINC000688097939 799744673 /nfs/dbraw/zinc/74/46/73/799744673.db2.gz ZHIFUWRPTUDEKN-NSHDSACASA-N 0 1 271.788 3.291 20 10 CGCDMN CO[C@@H](C)C[N@@H+](Cc1cc(Cl)ccc1[O-])C(C)C ZINC000688097939 799744675 /nfs/dbraw/zinc/74/46/75/799744675.db2.gz ZHIFUWRPTUDEKN-NSHDSACASA-N 0 1 271.788 3.291 20 10 CGCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)CC(F)F ZINC000697720289 799848247 /nfs/dbraw/zinc/84/82/47/799848247.db2.gz UQHARPXYLSSOQF-QMMMGPOBSA-N 0 1 263.715 3.427 20 10 CGCDMN Oc1ccc(F)cc1CNCc1ccc(Cl)o1 ZINC000698041419 799852722 /nfs/dbraw/zinc/85/27/22/799852722.db2.gz FOMBOKGQCDXXNO-UHFFFAOYSA-N 0 1 255.676 3.068 20 10 CGCDMN C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccc2ccccc2c1[O-] ZINC000699475698 799862055 /nfs/dbraw/zinc/86/20/55/799862055.db2.gz MWJGINVQZWQBEJ-WQGACYEGSA-N 0 1 271.360 3.231 20 10 CGCDMN COc1cccc(CN(C)Cc2cc(F)cc(F)c2)c1O ZINC001256049280 806808510 /nfs/dbraw/zinc/80/85/10/806808510.db2.gz ZDYWZFULZGHLRS-UHFFFAOYSA-N 0 1 293.313 3.311 20 10 CGCDMN C[C@@H](NCc1nc2c(s1)CCC2)c1ccccc1O ZINC000719624462 800247082 /nfs/dbraw/zinc/24/70/82/800247082.db2.gz GYLRLXLUUBCHNJ-SNVBAGLBSA-N 0 1 274.389 3.188 20 10 CGCDMN CC(C)c1ocnc1CN[C@H](C)c1ccccc1O ZINC001119261505 802639967 /nfs/dbraw/zinc/63/99/67/802639967.db2.gz SOKHBFMQBUVIOY-LLVKDONJSA-N 0 1 260.337 3.354 20 10 CGCDMN COc1cccc(F)c1CN[C@H](C)c1ccccc1O ZINC001120243656 802735501 /nfs/dbraw/zinc/73/55/01/802735501.db2.gz ASKVDILULUGLQT-LLVKDONJSA-N 0 1 275.323 3.391 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001137831704 803776934 /nfs/dbraw/zinc/77/69/34/803776934.db2.gz KOCURGCEIKJVRZ-LBPRGKRZSA-N 0 1 277.261 3.101 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001137837506 803781604 /nfs/dbraw/zinc/78/16/04/803781604.db2.gz JMOJICPYICSGDN-CQSZACIVSA-N 0 1 287.334 3.185 20 10 CGCDMN Cc1c(CN2CCOCC2(C)C)c2ccccc2n1C ZINC001138257153 803882430 /nfs/dbraw/zinc/88/24/30/803882430.db2.gz YHKZSRNWOFQBOL-UHFFFAOYSA-N 0 1 272.392 3.098 20 10 CGCDMN CN1CCCc2cc(CN3CCC[C@H](F)C3)ccc21 ZINC001138355752 803900003 /nfs/dbraw/zinc/90/00/03/803900003.db2.gz BNFGYXBUQOLBRV-HNNXBMFYSA-N 0 1 262.372 3.003 20 10 CGCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)C1CC(C)C1 ZINC001139126386 804134639 /nfs/dbraw/zinc/13/46/39/804134639.db2.gz FKJNSLFROIZCGW-UHFFFAOYSA-N 0 1 287.359 3.037 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC001139683597 804252893 /nfs/dbraw/zinc/25/28/93/804252893.db2.gz NXZFMXMYHBSCFN-HNNXBMFYSA-N 0 1 290.313 3.403 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCc2c(F)cccc2C1 ZINC001139686435 804253815 /nfs/dbraw/zinc/25/38/15/804253815.db2.gz ZLGRZGVTJKTEAI-UHFFFAOYSA-N 0 1 293.288 3.368 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCc2c(F)cccc2C1 ZINC001139686435 804253822 /nfs/dbraw/zinc/25/38/22/804253822.db2.gz ZLGRZGVTJKTEAI-UHFFFAOYSA-N 0 1 293.288 3.368 20 10 CGCDMN CC[N@@H+](Cc1ccc2c(cnn2C)c1)Cc1ccccc1O ZINC001139952309 804332916 /nfs/dbraw/zinc/33/29/16/804332916.db2.gz GTWZLRSHSFQNFY-UHFFFAOYSA-N 0 1 295.386 3.301 20 10 CGCDMN C[C@@H]1C(=O)CCN(Cc2cc(F)ccc2O)C12CCCC2 ZINC001140056310 804363932 /nfs/dbraw/zinc/36/39/32/804363932.db2.gz QPQRGDXLTUYZKN-GFCCVEGCSA-N 0 1 291.366 3.255 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCCC12CC2 ZINC001140098593 804377725 /nfs/dbraw/zinc/37/77/25/804377725.db2.gz GPXMIAIYHFVKBD-UHFFFAOYSA-N 0 1 282.181 3.283 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCCC12CC2 ZINC001140098593 804377733 /nfs/dbraw/zinc/37/77/33/804377733.db2.gz GPXMIAIYHFVKBD-UHFFFAOYSA-N 0 1 282.181 3.283 20 10 CGCDMN Oc1ccc2c(c1)CCN(Cc1c(O)cccc1Cl)C2 ZINC001140338481 804418072 /nfs/dbraw/zinc/41/80/72/804418072.db2.gz JUSQZLHFDYNMFM-UHFFFAOYSA-N 0 1 289.762 3.310 20 10 CGCDMN C[C@]1(CO)CCC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC001140338124 804418450 /nfs/dbraw/zinc/41/84/50/804418450.db2.gz VYEMWMXBXMUSSK-HNNXBMFYSA-N 0 1 283.799 3.030 20 10 CGCDMN C[C@]1(CO)CCC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC001140338124 804418453 /nfs/dbraw/zinc/41/84/53/804418453.db2.gz 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20 10 CGCDMN Cc1ccccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001461056039 937561666 /nfs/dbraw/zinc/56/16/66/937561666.db2.gz HTGYALMJGFVHKK-UHFFFAOYSA-N 0 1 295.430 3.359 20 10 CGCDMN CC(C)[C@@H]([NH2+]Cc1c([O-])cccc1Cl)[C@@H](CO)C(C)C ZINC001461518345 937584273 /nfs/dbraw/zinc/58/42/73/937584273.db2.gz BYLCVUJISBKFMV-XJKSGUPXSA-N 0 1 299.842 3.424 20 10 CGCDMN C[N@H+](Cc1ccoc1)Cc1ccc(Br)cc1[O-] ZINC001461939815 937607735 /nfs/dbraw/zinc/60/77/35/937607735.db2.gz MSOZTGJDECUZTD-UHFFFAOYSA-N 0 1 296.164 3.380 20 10 CGCDMN C[N@@H+](Cc1ccoc1)Cc1ccc(Br)cc1[O-] ZINC001461939815 937607736 /nfs/dbraw/zinc/60/77/36/937607736.db2.gz MSOZTGJDECUZTD-UHFFFAOYSA-N 0 1 296.164 3.380 20 10 CGCDMN C[C@H](NCc1c(Cl)ccnc1F)c1ccccc1O ZINC001462510806 937645968 /nfs/dbraw/zinc/64/59/68/937645968.db2.gz GIBQGEAJEXNDDF-VIFPVBQESA-N 0 1 280.730 3.431 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC001308676928 933156051 /nfs/dbraw/zinc/15/60/51/933156051.db2.gz GUWHTJJZWXRSJE-UHFFFAOYSA-N 0 1 281.783 3.048 20 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RYQKPBAKEKVHFJ-CQSZACIVSA-N 0 1 283.799 3.076 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001324275756 934480174 /nfs/dbraw/zinc/48/01/74/934480174.db2.gz VCKDCUUMSXKPNA-BMIGLBTASA-N 0 1 299.773 3.186 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCCOC1 ZINC001330279986 935282118 /nfs/dbraw/zinc/28/21/18/935282118.db2.gz OSCRLVFGONUVCE-ZDUSSCGKSA-N 0 1 283.799 3.355 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCCOC1 ZINC001330279986 935282120 /nfs/dbraw/zinc/28/21/20/935282120.db2.gz OSCRLVFGONUVCE-ZDUSSCGKSA-N 0 1 283.799 3.355 20 10 CGCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Br)c1ccc[nH]1 ZINC001474100222 937840251 /nfs/dbraw/zinc/84/02/51/937840251.db2.gz VDOXEKFRLQCNRT-VIFPVBQESA-N 0 1 295.180 3.334 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001474694438 937875601 /nfs/dbraw/zinc/87/56/01/937875601.db2.gz DBURRCFHHGHYNT-RIEGTJTDSA-N 0 1 281.783 3.093 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCN2CCC(C)CC2)c(Cl)c1 ZINC001560266683 938250286 /nfs/dbraw/zinc/25/02/86/938250286.db2.gz MGBLVKIRSRMEQV-UHFFFAOYSA-N 0 1 296.842 3.176 20 10 CGCDMN C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1c([O-])cccc1Cl ZINC001560532008 938261927 /nfs/dbraw/zinc/26/19/27/938261927.db2.gz RPYLVTGHMUKRSJ-ZDUSSCGKSA-N 0 1 296.842 3.256 20 10 CGCDMN CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC001560834384 938278195 /nfs/dbraw/zinc/27/81/95/938278195.db2.gz MCOKBSBSEHPYIM-QWHCGFSZSA-N 0 1 297.345 3.060 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC001589281112 963977938 /nfs/dbraw/zinc/97/79/38/963977938.db2.gz QWSMFRXPQOWGGQ-SWLSCSKDSA-N 0 1 291.391 3.058 20 10 CGCDMN Cc1ccc(O)c(CN2CCc3nc(C(C)C)ncc3C2)c1 ZINC000143383812 346114197 /nfs/dbraw/zinc/11/41/97/346114197.db2.gz ZURSWCIISPSMOO-UHFFFAOYSA-N 0 1 297.402 3.172 20 10 CGCDMN C[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@@H]1CCOC1 ZINC000176102468 346249206 /nfs/dbraw/zinc/24/92/06/346249206.db2.gz PVVRSVOVVMRLSP-ZDUSSCGKSA-N 0 1 271.360 3.014 20 10 CGCDMN C[N@H+](Cc1c([O-])ccc2ccccc21)C[C@@H]1CCOC1 ZINC000176102468 346249208 /nfs/dbraw/zinc/24/92/08/346249208.db2.gz PVVRSVOVVMRLSP-ZDUSSCGKSA-N 0 1 271.360 3.014 20 10 CGCDMN C[C@H]([NH2+]C1CCC1)c1cc(Br)ccc1[O-] ZINC000273474194 346412679 /nfs/dbraw/zinc/41/26/79/346412679.db2.gz KHDSSRBGXPRPCU-QMMMGPOBSA-N 0 1 270.170 3.358 20 10 CGCDMN C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c([O-])cccc1Cl ZINC000289143781 371750696 /nfs/dbraw/zinc/75/06/96/371750696.db2.gz ANBLEUAOJYVEIG-DOMZBBRYSA-N 0 1 294.826 3.104 20 10 CGCDMN COc1ccc(O)c(CN2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000293968543 372539608 /nfs/dbraw/zinc/53/96/08/372539608.db2.gz QKJZEKNRDSKNDY-QGZVFWFLSA-N 0 1 298.386 3.379 20 10 CGCDMN CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168772029 372619456 /nfs/dbraw/zinc/61/94/56/372619456.db2.gz NBGZXKNWTOSGAF-GXTWGEPZSA-N 0 1 273.376 3.357 20 10 CGCDMN CN(Cc1nccs1)Cc1cc(Cl)c(F)cc1O ZINC000295262709 372722157 /nfs/dbraw/zinc/72/21/57/372722157.db2.gz HBECLYNJQZSOBF-UHFFFAOYSA-N 0 1 286.759 3.273 20 10 CGCDMN Cc1cc(C)c([C@@H](C)NCc2nnc(C(C)C)[nH]2)c(O)c1 ZINC000296495809 373154867 /nfs/dbraw/zinc/15/48/67/373154867.db2.gz OVHMVYCTIOFQNJ-GFCCVEGCSA-N 0 1 288.395 3.101 20 10 CGCDMN Cc1cccc(CN2CCCC[C@H]2c2ncc[nH]2)c1O ZINC000179937676 373942128 /nfs/dbraw/zinc/94/21/28/373942128.db2.gz LDJCATUAFRKEBK-AWEZNQCLSA-N 0 1 271.364 3.151 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc2ccccc2c1[O-] ZINC000189340073 375370473 /nfs/dbraw/zinc/37/04/73/375370473.db2.gz MDZAWIXUVZVVNW-NFAWXSAZSA-N 0 1 285.387 3.357 20 10 CGCDMN Fc1cccc2c1OCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000191128831 375582090 /nfs/dbraw/zinc/58/20/90/375582090.db2.gz RLTSGNKOPJRUIK-INIZCTEOSA-N 0 1 299.345 3.374 20 10 CGCDMN Cc1ccc(O)c([C@@H](C)NCc2cn3ccsc3n2)c1 ZINC000273401732 378744171 /nfs/dbraw/zinc/74/41/71/378744171.db2.gz NFWXXIBXFOCKNO-LLVKDONJSA-N 0 1 287.388 3.261 20 10 CGCDMN C[C@@H](c1cccnc1)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000273454401 378748903 /nfs/dbraw/zinc/74/89/03/378748903.db2.gz ZOGXMBVHMSOAGK-NSHDSACASA-N 0 1 260.312 3.119 20 10 CGCDMN Cc1cccc(C[N@H+]2CCC[C@@H]2c2nccs2)c1O ZINC000375017634 379485002 /nfs/dbraw/zinc/48/50/02/379485002.db2.gz HONRPWUGPUOXIB-CYBMUJFWSA-N 0 1 274.389 3.494 20 10 CGCDMN Cc1cccc(CN2CCC[C@@H]2c2nccs2)c1O ZINC000375017634 379485007 /nfs/dbraw/zinc/48/50/07/379485007.db2.gz HONRPWUGPUOXIB-CYBMUJFWSA-N 0 1 274.389 3.494 20 10 CGCDMN C=Cn1cc(C[N@H+](CCCC)Cc2ccccc2O)cn1 ZINC000283092646 380032822 /nfs/dbraw/zinc/03/28/22/380032822.db2.gz SEYQWNUTDWMWHG-UHFFFAOYSA-N 0 1 285.391 3.492 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000285331894 380147630 /nfs/dbraw/zinc/14/76/30/380147630.db2.gz XNKOQCLWPNQCFX-ZFWWWQNUSA-N 0 1 281.783 3.189 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000285331894 380147639 /nfs/dbraw/zinc/14/76/39/380147639.db2.gz XNKOQCLWPNQCFX-ZFWWWQNUSA-N 0 1 281.783 3.189 20 10 CGCDMN CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185114013 262041832 /nfs/dbraw/zinc/04/18/32/262041832.db2.gz VXEZPAQMUJZVEV-CMPLNLGQSA-N 0 1 271.788 3.103 20 10 CGCDMN CCOc1cccc(CNCc2cc(F)ccc2F)c1O ZINC000105496193 392290850 /nfs/dbraw/zinc/29/08/50/392290850.db2.gz DMPZXYRVAYPHKU-UHFFFAOYSA-N 0 1 293.313 3.359 20 10 CGCDMN CCOc1ccc(O)c(CN2Cc3ccccc3C2)c1 ZINC000119970395 392398993 /nfs/dbraw/zinc/39/89/93/392398993.db2.gz HYUIXQSJBQGUAI-UHFFFAOYSA-N 0 1 269.344 3.307 20 10 CGCDMN C[C@H](N[C@H]1CCc2cccc(O)c21)c1c(F)cncc1F ZINC000297350065 392568385 /nfs/dbraw/zinc/56/83/85/392568385.db2.gz PAISRGGRKTTYBY-ZANVPECISA-N 0 1 290.313 3.404 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000378331645 227055500 /nfs/dbraw/zinc/05/55/00/227055500.db2.gz GDONLUICGIRZBX-UHFFFAOYSA-N 0 1 281.783 3.048 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000378331645 227055505 /nfs/dbraw/zinc/05/55/05/227055505.db2.gz GDONLUICGIRZBX-UHFFFAOYSA-N 0 1 281.783 3.048 20 10 CGCDMN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])[nH]n1 ZINC000186130639 262081243 /nfs/dbraw/zinc/08/12/43/262081243.db2.gz GTNRFFPTHMLBRC-ONGXEEELSA-N 0 1 293.798 3.359 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000376831961 268022450 /nfs/dbraw/zinc/02/24/50/268022450.db2.gz LAVANBLCNHFEFW-NSHDSACASA-N 0 1 251.757 3.278 20 10 CGCDMN C[C@@H](c1ccccn1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000272753563 274278674 /nfs/dbraw/zinc/27/86/74/274278674.db2.gz KBPCKDYFVPNPPX-ZDUSSCGKSA-N 0 1 287.382 3.480 20 10 CGCDMN CCN(CC)c1ccc(CN[C@@H](C)c2nccnc2C)cc1 ZINC000187795533 276121085 /nfs/dbraw/zinc/12/10/85/276121085.db2.gz ZYAHRLXKEXAUDA-HNNXBMFYSA-N 0 1 298.434 3.482 20 10 CGCDMN COc1cccc2c1CC[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC000272963633 278029223 /nfs/dbraw/zinc/02/92/23/278029223.db2.gz QPDTYQUWOWNXEZ-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000289531075 328254968 /nfs/dbraw/zinc/25/49/68/328254968.db2.gz PYLNLEWJGQOJKL-AWEZNQCLSA-N 0 1 291.782 3.496 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000289531075 328254969 /nfs/dbraw/zinc/25/49/69/328254969.db2.gz PYLNLEWJGQOJKL-AWEZNQCLSA-N 0 1 291.782 3.496 20 10 CGCDMN CC[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])OC ZINC000290049178 328257762 /nfs/dbraw/zinc/25/77/62/328257762.db2.gz DYVFPRINMWVZSY-KOLCDFICSA-N 0 1 257.761 3.121 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527805258 330284359 /nfs/dbraw/zinc/28/43/59/330284359.db2.gz FYYJSLFHXLWEQF-HNNXBMFYSA-N 0 1 294.826 3.152 20 10 CGCDMN CCOc1ccc(CN[C@@H](C)c2ncccc2F)c(O)c1 ZINC000527826856 330286670 /nfs/dbraw/zinc/28/66/70/330286670.db2.gz UUJTZFXTIUEVDK-NSHDSACASA-N 0 1 290.338 3.176 20 10 CGCDMN CCN(CC)c1ccc(CNCc2cnccc2OC)cc1 ZINC000292679366 520907763 /nfs/dbraw/zinc/90/77/63/520907763.db2.gz MRSIAZRZPJKVBH-UHFFFAOYSA-N 0 1 299.418 3.226 20 10 CGCDMN CN(C)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000096810795 522096750 /nfs/dbraw/zinc/09/67/50/522096750.db2.gz KYJYUOMNWKOZSH-HNNXBMFYSA-N 0 1 284.403 3.071 20 10 CGCDMN CN(C)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000096810795 522096756 /nfs/dbraw/zinc/09/67/56/522096756.db2.gz KYJYUOMNWKOZSH-HNNXBMFYSA-N 0 1 284.403 3.071 20 10 CGCDMN CN(C)c1ccc(CNc2ncc(C(F)(F)F)[nH]2)cc1 ZINC000290992088 522215754 /nfs/dbraw/zinc/21/57/54/522215754.db2.gz UAQRJTUXKBWIBE-UHFFFAOYSA-N 0 1 284.285 3.107 20 10 CGCDMN CCc1nnc([C@@H](C)N[C@H](CC)c2ccc(C)cc2O)[nH]1 ZINC000280177844 522426431 /nfs/dbraw/zinc/42/64/31/522426431.db2.gz RMSVHMVCWYWTRO-DGCLKSJQSA-N 0 1 288.395 3.183 20 10 CGCDMN CC[C@@H](C)c1nnc([C@H](C)NCc2cccc(C)c2O)[nH]1 ZINC000277110098 522442206 /nfs/dbraw/zinc/44/22/06/522442206.db2.gz HWASDFZILDKPEZ-PWSUYJOCSA-N 0 1 288.395 3.183 20 10 CGCDMN CCc1noc(C)c1CNCc1ccc(N(C)C)c(F)c1 ZINC000292918161 522846088 /nfs/dbraw/zinc/84/60/88/522846088.db2.gz HXZAKYFMUDFVJP-UHFFFAOYSA-N 0 1 291.370 3.040 20 10 CGCDMN C[C@H](CCO)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000097435907 524208422 /nfs/dbraw/zinc/20/84/22/524208422.db2.gz JYGOSWYTKZQXJX-CHWSQXEVSA-N 0 1 273.376 3.215 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000290363272 526329038 /nfs/dbraw/zinc/32/90/38/526329038.db2.gz AAVCIAWGKHNISM-HOCLYGCPSA-N 0 1 291.366 3.065 20 10 CGCDMN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)[C@H]1C=CCCC1 ZINC000739794392 572424002 /nfs/dbraw/zinc/42/40/02/572424002.db2.gz XJTMICFSAQAVGP-ZDUSSCGKSA-N 0 1 295.766 3.041 20 10 CGCDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736754839 572808645 /nfs/dbraw/zinc/80/86/45/572808645.db2.gz GZBZQYHKOOUEGD-NWDGAFQWSA-N 0 1 299.370 3.474 20 10 CGCDMN CO[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000746754083 572895161 /nfs/dbraw/zinc/89/51/61/572895161.db2.gz KETCFHGQHPFIMY-CHWSQXEVSA-N 0 1 269.772 3.093 20 10 CGCDMN COC(C)(C)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000896608498 620036578 /nfs/dbraw/zinc/03/65/78/620036578.db2.gz PPFLBSRVNSFCNQ-SNVBAGLBSA-N 0 1 271.788 3.257 20 10 CGCDMN C[C@@H]1CCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000828271678 601369951 /nfs/dbraw/zinc/36/99/51/601369951.db2.gz KDLXRWYREDPFDJ-LLVKDONJSA-N 0 1 285.343 3.228 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000083551259 618009600 /nfs/dbraw/zinc/00/96/00/618009600.db2.gz KJJGJIZSFJXQDO-UHFFFAOYSA-N 0 1 291.734 3.064 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)CC(C)(C)C)c1[O-] ZINC000045084764 618020831 /nfs/dbraw/zinc/02/08/31/618020831.db2.gz QYFXYBXKUDRXNC-UHFFFAOYSA-N 0 1 267.344 3.212 20 10 CGCDMN CC[C@@H]([NH2+]CCSC)c1cc(Cl)ccc1[O-] ZINC000309716230 618765774 /nfs/dbraw/zinc/76/57/74/618765774.db2.gz TUSYTIGSKZKUKG-LLVKDONJSA-N 0 1 259.802 3.449 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2cscn2)c(Cl)c1 ZINC000840897970 619003297 /nfs/dbraw/zinc/00/32/97/619003297.db2.gz CZIDOAOQDGCZIO-UHFFFAOYSA-N 0 1 282.796 3.143 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c(Cl)c1 ZINC000840904279 619088172 /nfs/dbraw/zinc/08/81/72/619088172.db2.gz IJKLUDXMXCIETA-RYUDHWBXSA-N 0 1 294.826 3.069 20 10 CGCDMN COC(=O)C(C)(C)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840948081 619250249 /nfs/dbraw/zinc/25/02/49/619250249.db2.gz LPZBXROHBNGVCN-UHFFFAOYSA-N 0 1 299.798 3.033 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000893867027 619324714 /nfs/dbraw/zinc/32/47/14/619324714.db2.gz SOGNZPOHFQEUGP-AWEZNQCLSA-N 0 1 278.302 3.336 20 10 CGCDMN Cc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])o1 ZINC000893894786 619330235 /nfs/dbraw/zinc/33/02/35/619330235.db2.gz FQWOEUXZCWKKIA-UHFFFAOYSA-N 0 1 267.275 3.204 20 10 CGCDMN CC[C@H](CSC)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894781274 619633660 /nfs/dbraw/zinc/63/36/60/619633660.db2.gz FKBIINYHSTXZOW-LLVKDONJSA-N 0 1 275.364 3.244 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccnn1C1CCC1 ZINC000895155130 619759621 /nfs/dbraw/zinc/75/96/21/619759621.db2.gz DEUUMFDKTNJNIO-UHFFFAOYSA-N 0 1 291.782 3.257 20 10 CGCDMN COc1cccc2c1CN(Cc1cc(F)cc(F)c1O)C2 ZINC000895406153 619822408 /nfs/dbraw/zinc/82/24/08/619822408.db2.gz QRWHNWYQOGTMNL-UHFFFAOYSA-N 0 1 291.297 3.195 20 10 CGCDMN COc1cc(C)cc(CNCc2cccc(F)c2F)c1O ZINC000895417482 619823903 /nfs/dbraw/zinc/82/39/03/619823903.db2.gz BGRIXBFWLGZQOZ-UHFFFAOYSA-N 0 1 293.313 3.277 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1Cl ZINC000896851480 620077203 /nfs/dbraw/zinc/07/72/03/620077203.db2.gz UZRCQDJPIAKJSU-YUTCNCBUSA-N 0 1 293.794 3.035 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000797905017 620238420 /nfs/dbraw/zinc/23/84/20/620238420.db2.gz TYJUDJFOLVPEOK-STQMWFEESA-N 0 1 296.208 3.433 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000797904956 620238460 /nfs/dbraw/zinc/23/84/60/620238460.db2.gz SMLTVKXWVVJFMT-STQMWFEESA-N 0 1 251.757 3.324 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(Cl)cc1[O-] ZINC000903259576 621646828 /nfs/dbraw/zinc/64/68/28/621646828.db2.gz HFGOPKJETVDZLM-RJIBLYRGSA-N 0 1 281.783 3.264 20 10 CGCDMN CC1(C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227440803 623019494 /nfs/dbraw/zinc/01/94/94/623019494.db2.gz BGLOYZPCIQOAQJ-NSHDSACASA-N 0 1 270.170 3.043 20 10 CGCDMN CS[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000230698599 623263862 /nfs/dbraw/zinc/26/38/62/623263862.db2.gz FFLGAYRLQSBMQM-VXGBXAGGSA-N 0 1 271.813 3.419 20 10 CGCDMN CCN(C)c1ccc([C@@H](C)NCc2cnc(C)o2)cc1 ZINC000840797209 626354463 /nfs/dbraw/zinc/35/44/63/626354463.db2.gz QHEJDUFVZCUBJW-GFCCVEGCSA-N 0 1 273.380 3.290 20 10 CGCDMN C[C@@H](Cc1ccoc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000754045632 626472976 /nfs/dbraw/zinc/47/29/76/626472976.db2.gz GXXDYKVHQKAABD-JTQLQIEISA-N 0 1 265.740 3.359 20 10 CGCDMN CO[C@@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(C)C ZINC000756628911 626721878 /nfs/dbraw/zinc/72/18/78/626721878.db2.gz YRASXUKXOYDVNX-YGRLFVJLSA-N 0 1 271.788 3.367 20 10 CGCDMN c1[nH]nc2c1CCC[C@H]2NCc1ccc(N2CCCC2)cc1 ZINC000765280961 627244878 /nfs/dbraw/zinc/24/48/78/627244878.db2.gz MZTNEPFGOVBHPI-QGZVFWFLSA-N 0 1 296.418 3.177 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CC[C@@H]1C ZINC000766375154 627324277 /nfs/dbraw/zinc/32/42/77/627324277.db2.gz RMJZWWZWNZJPLE-STQMWFEESA-N 0 1 270.376 3.418 20 10 CGCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CC[C@@H]1C ZINC000766375154 627324280 /nfs/dbraw/zinc/32/42/80/627324280.db2.gz RMJZWWZWNZJPLE-STQMWFEESA-N 0 1 270.376 3.418 20 10 CGCDMN CC(C)C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768246644 627471019 /nfs/dbraw/zinc/47/10/19/627471019.db2.gz ZIIKMRRAZVAHRB-UHFFFAOYSA-N 0 1 272.732 3.042 20 10 CGCDMN CCOC(=O)[C@@H](NCc1cccc(Cl)c1O)C(C)(C)C ZINC000768524139 627483716 /nfs/dbraw/zinc/48/37/16/627483716.db2.gz KRPJJKHEFKFDMK-CYBMUJFWSA-N 0 1 299.798 3.113 20 10 CGCDMN CCOc1ccc(C[N@H+](CC2CC2)C(C)C)c([O-])c1 ZINC000768676308 627492594 /nfs/dbraw/zinc/49/25/94/627492594.db2.gz WFFWOCKEYWMMPK-UHFFFAOYSA-N 0 1 263.381 3.411 20 10 CGCDMN CCOc1ccc(C[N@@H+](CC2CC2)C(C)C)c([O-])c1 ZINC000768676308 627492597 /nfs/dbraw/zinc/49/25/97/627492597.db2.gz WFFWOCKEYWMMPK-UHFFFAOYSA-N 0 1 263.381 3.411 20 10 CGCDMN CC[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768771412 627497910 /nfs/dbraw/zinc/49/79/10/627497910.db2.gz WUDZMVMMMCOQKD-SECBINFHSA-N 0 1 286.759 3.432 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000769187831 627530403 /nfs/dbraw/zinc/53/04/03/627530403.db2.gz AQSYLDOQLLPHMD-UHFFFAOYSA-N 0 1 291.782 3.148 20 10 CGCDMN CC1(C)CN(Cc2cc(Cl)ccc2O)C(C)(C)CO1 ZINC000769446611 627553119 /nfs/dbraw/zinc/55/31/19/627553119.db2.gz PGGUNAGTLVEOAP-UHFFFAOYSA-N 0 1 283.799 3.435 20 10 CGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000769513818 627560506 /nfs/dbraw/zinc/56/05/06/627560506.db2.gz FEWSROMDVADLMR-NSHDSACASA-N 0 1 296.208 3.387 20 10 CGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000769513818 627560509 /nfs/dbraw/zinc/56/05/09/627560509.db2.gz FEWSROMDVADLMR-NSHDSACASA-N 0 1 296.208 3.387 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000769929039 627590540 /nfs/dbraw/zinc/59/05/40/627590540.db2.gz VBUCSYYITAAUAR-UHFFFAOYSA-N 0 1 289.762 3.366 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC[C@@H]2C)c1[O-] ZINC000771791412 627731857 /nfs/dbraw/zinc/73/18/57/627731857.db2.gz LCPHEVXSFHBWTE-BONVTDFDSA-N 0 1 279.355 3.402 20 10 CGCDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000774842478 628036442 /nfs/dbraw/zinc/03/64/42/628036442.db2.gz WIFPWMHPZHPYTH-SNVBAGLBSA-N 0 1 296.367 3.175 20 10 CGCDMN COc1cc(C)nc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775364471 628086284 /nfs/dbraw/zinc/08/62/84/628086284.db2.gz RAFFDSVEPOBTOL-CQSZACIVSA-N 0 1 299.418 3.315 20 10 CGCDMN CC[C@H]([NH2+]C1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775485152 628099038 /nfs/dbraw/zinc/09/90/38/628099038.db2.gz NYXWXIGJNDWGFN-AWEZNQCLSA-N 0 1 282.815 3.181 20 10 CGCDMN CC[C@@H](C)[C@H](O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503419 628101928 /nfs/dbraw/zinc/10/19/28/628101928.db2.gz IEYJXUDFPQXONC-RIEGTJTDSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@@H]([NH2+]CCC[C@@H](C)CO)c1cc(Cl)ccc1[O-] ZINC000775527375 628104287 /nfs/dbraw/zinc/10/42/87/628104287.db2.gz WOOOIYIKSMYDKQ-BXUZGUMPSA-N 0 1 285.815 3.495 20 10 CGCDMN CCCC[N@@H+](CCOC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775691478 628126238 /nfs/dbraw/zinc/12/62/38/628126238.db2.gz FFFYXKCQHMPQCH-UHFFFAOYSA-N 0 1 289.778 3.433 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000775717107 628129575 /nfs/dbraw/zinc/12/95/75/628129575.db2.gz MHNDZBJUABPHHH-MRXNPFEDSA-N 0 1 295.810 3.438 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]1C ZINC000775736728 628131379 /nfs/dbraw/zinc/13/13/79/628131379.db2.gz IVOHHIQOTBEROK-RKDXNWHRSA-N 0 1 257.736 3.415 20 10 CGCDMN CCc1cccnc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000780724002 628511009 /nfs/dbraw/zinc/51/10/09/628511009.db2.gz MBBZGCTUDIUWHT-CYBMUJFWSA-N 0 1 282.387 3.430 20 10 CGCDMN CC[N@@H+](Cc1cc(C)cc(Br)c1[O-])C1CC1 ZINC000781896341 628603566 /nfs/dbraw/zinc/60/35/66/628603566.db2.gz IIHGUZVOLUMDJK-UHFFFAOYSA-N 0 1 284.197 3.447 20 10 CGCDMN Cc1cc(O)c(CN2CCc3ncsc3C2)cc1C ZINC000783546558 628723788 /nfs/dbraw/zinc/72/37/88/628723788.db2.gz MEDXKBWKSBPRPP-UHFFFAOYSA-N 0 1 274.389 3.024 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](C)OC)c1cc(Cl)ccc1[O-] ZINC000785573125 628871898 /nfs/dbraw/zinc/87/18/98/628871898.db2.gz NRIBKEPLQPFBIJ-BXKDBHETSA-N 0 1 257.761 3.121 20 10 CGCDMN CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000787994263 629038486 /nfs/dbraw/zinc/03/84/86/629038486.db2.gz FGXYBHIYTFDXJI-IAQYHMDHSA-N 0 1 279.355 3.402 20 10 CGCDMN C[C@H](O)CCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000789328004 629124621 /nfs/dbraw/zinc/12/46/21/629124621.db2.gz XSQIXALENHIBAD-AWEZNQCLSA-N 0 1 277.408 3.298 20 10 CGCDMN C[C@H](O)CCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000789328004 629124622 /nfs/dbraw/zinc/12/46/22/629124622.db2.gz XSQIXALENHIBAD-AWEZNQCLSA-N 0 1 277.408 3.298 20 10 CGCDMN CCOc1ccc(O)c(CN2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000790930551 629241441 /nfs/dbraw/zinc/24/14/41/629241441.db2.gz FAUJMCMQZOEBKL-MRXNPFEDSA-N 0 1 293.407 3.038 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000793607867 629490080 /nfs/dbraw/zinc/49/00/80/629490080.db2.gz DLYCRFMGMJFKFV-UONOGXRCSA-N 0 1 299.773 3.328 20 10 CGCDMN CCOc1cccc(CNCc2cccc(F)c2F)c1O ZINC000865677345 630347563 /nfs/dbraw/zinc/34/75/63/630347563.db2.gz WOEUJSSRSHXGLN-UHFFFAOYSA-N 0 1 293.313 3.359 20 10 CGCDMN CCCNC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806598754 630570354 /nfs/dbraw/zinc/57/03/54/630570354.db2.gz LMGIAAPOEHWFKP-UHFFFAOYSA-N 0 1 293.219 3.073 20 10 CGCDMN CSCCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838358 630600466 /nfs/dbraw/zinc/60/04/66/630600466.db2.gz PUWSPAKIYALLMK-UHFFFAOYSA-N 0 1 294.203 3.068 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(C)CCOC2)c1[O-] ZINC000808696795 630665738 /nfs/dbraw/zinc/66/57/38/630665738.db2.gz WNBGSURWXFLDNY-IAQYHMDHSA-N 0 1 283.799 3.431 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)c1[O-] ZINC000808697741 630666641 /nfs/dbraw/zinc/66/66/41/630666641.db2.gz SOIJZFVEBQNLJY-JLLWLGSASA-N 0 1 285.815 3.412 20 10 CGCDMN CC[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@@H](C)OC ZINC000812807980 631317015 /nfs/dbraw/zinc/31/70/15/631317015.db2.gz NQMKXVKMADDYOH-SECBINFHSA-N 0 1 275.751 3.042 20 10 CGCDMN CC[C@@H]1CC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000814179015 631540425 /nfs/dbraw/zinc/54/04/25/631540425.db2.gz MYYIKNXJXONFEO-LLVKDONJSA-N 0 1 284.197 3.447 20 10 CGCDMN Cc1cc(CN(C)Cc2ccco2)ccc1N(C)C ZINC000815010704 631703671 /nfs/dbraw/zinc/70/36/71/631703671.db2.gz NQGGBYPFKIPOLC-UHFFFAOYSA-N 0 1 258.365 3.286 20 10 CGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@@H]1CCCOC1 ZINC000816505132 631996000 /nfs/dbraw/zinc/99/60/00/631996000.db2.gz NUSUVYUTLDGMLG-AWEZNQCLSA-N 0 1 285.387 3.404 20 10 CGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@@H]1CCCOC1 ZINC000816505132 631996002 /nfs/dbraw/zinc/99/60/02/631996002.db2.gz NUSUVYUTLDGMLG-AWEZNQCLSA-N 0 1 285.387 3.404 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000816520688 632002537 /nfs/dbraw/zinc/00/25/37/632002537.db2.gz VPSSOJIKSDLCGT-QMTHXVAHSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000816516420 632003285 /nfs/dbraw/zinc/00/32/85/632003285.db2.gz FHGAGTGPJIIQAH-MNOVXSKESA-N 0 1 299.773 3.043 20 10 CGCDMN Cc1noc(C)c1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816539700 632005372 /nfs/dbraw/zinc/00/53/72/632005372.db2.gz QJVBTXHXTHXBAI-UHFFFAOYSA-N 0 1 282.343 3.440 20 10 CGCDMN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549204 632008502 /nfs/dbraw/zinc/00/85/02/632008502.db2.gz HPQZIGFPIWOVNZ-ACJLOTCBSA-N 0 1 287.403 3.432 20 10 CGCDMN CCC[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549568 632008740 /nfs/dbraw/zinc/00/87/40/632008740.db2.gz RTDHLOAIWSSEDY-KRWDZBQOSA-N 0 1 273.376 3.186 20 10 CGCDMN CC1(C)C[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1O ZINC000816586296 632017184 /nfs/dbraw/zinc/01/71/84/632017184.db2.gz FCAFMGDVTIWPSX-MRXNPFEDSA-N 0 1 285.387 3.138 20 10 CGCDMN CC1(C)C[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1O ZINC000816586296 632017187 /nfs/dbraw/zinc/01/71/87/632017187.db2.gz FCAFMGDVTIWPSX-MRXNPFEDSA-N 0 1 285.387 3.138 20 10 CGCDMN Cc1cccc(CNc2cc3c(cn2)CCC3)c1O ZINC000816660388 632039490 /nfs/dbraw/zinc/03/94/90/632039490.db2.gz BOZHYJIMDYDIBI-UHFFFAOYSA-N 0 1 254.333 3.196 20 10 CGCDMN CC(C)[C@]1(CO)CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000816662783 632040447 /nfs/dbraw/zinc/04/04/47/632040447.db2.gz YHTDVWDTBAJEAF-MRXNPFEDSA-N 0 1 297.826 3.276 20 10 CGCDMN CC(C)[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000816662783 632040450 /nfs/dbraw/zinc/04/04/50/632040450.db2.gz YHTDVWDTBAJEAF-MRXNPFEDSA-N 0 1 297.826 3.276 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@H](CO)CC2)ccc2ccccc21 ZINC000816665611 632040606 /nfs/dbraw/zinc/04/06/06/632040606.db2.gz OMLSZXFMVGOWBA-AWEZNQCLSA-N 0 1 285.387 3.140 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCC[C@H](CO)CC2)ccc2ccccc21 ZINC000816665611 632040613 /nfs/dbraw/zinc/04/06/13/632040613.db2.gz OMLSZXFMVGOWBA-AWEZNQCLSA-N 0 1 285.387 3.140 20 10 CGCDMN CC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@@H](CC)O1 ZINC000817366085 632133693 /nfs/dbraw/zinc/13/36/93/632133693.db2.gz UAYJQAGAVPHNSB-HUUCEWRRSA-N 0 1 293.407 3.099 20 10 CGCDMN CC[C@@H]([NH2+][C@@H]1CCCCNC1)c1cccc(Cl)c1[O-] ZINC000817984713 632273911 /nfs/dbraw/zinc/27/39/11/632273911.db2.gz XRWZIAZAAPFUGR-BXUZGUMPSA-N 0 1 282.815 3.228 20 10 CGCDMN COc1ccc(O)c(CNCc2c(F)cc(C)cc2F)c1 ZINC000818186847 632295156 /nfs/dbraw/zinc/29/51/56/632295156.db2.gz NDRZJNHWJXULTL-UHFFFAOYSA-N 0 1 293.313 3.277 20 10 CGCDMN Cc1nsc(C)c1CN(C)Cc1ccccc1O ZINC000821390500 632763284 /nfs/dbraw/zinc/76/32/84/632763284.db2.gz BFQCHVCVIULIPX-UHFFFAOYSA-N 0 1 262.378 3.098 20 10 CGCDMN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc(Cl)cc1[O-] ZINC000866446915 633137128 /nfs/dbraw/zinc/13/71/28/633137128.db2.gz VJLSATWGGMORIT-RFEWNFQQSA-N 0 1 293.794 3.120 20 10 CGCDMN C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000866462893 633145245 /nfs/dbraw/zinc/14/52/45/633145245.db2.gz CLAUNCMGXDWZTA-OKTBNZSVSA-N 0 1 297.704 3.008 20 10 CGCDMN C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000866513626 633169576 /nfs/dbraw/zinc/16/95/76/633169576.db2.gz WYOLQGYOXQZTCS-PLQHRBFRSA-N 0 1 293.382 3.387 20 10 CGCDMN C[C@H](NCc1ccncc1F)c1ccc(N(C)C)cc1 ZINC000824195409 633211055 /nfs/dbraw/zinc/21/10/55/633211055.db2.gz DJJFCWIZQOZQSC-LBPRGKRZSA-N 0 1 273.355 3.138 20 10 CGCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650986 633268317 /nfs/dbraw/zinc/26/83/17/633268317.db2.gz RPKPIVHJRJFBQY-LBPRGKRZSA-N 0 1 282.181 3.139 20 10 CGCDMN Cc1ncc(C[N@@H+](Cc2ccccc2O)C2CCCC2)n1C ZINC000824779984 633288206 /nfs/dbraw/zinc/28/82/06/633288206.db2.gz ZLPWRHWXZCCPTB-UHFFFAOYSA-N 0 1 299.418 3.379 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000824820937 633295777 /nfs/dbraw/zinc/29/57/77/633295777.db2.gz RCRBGGUYUOLQQJ-SUMWQHHRSA-N 0 1 285.387 3.402 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000824820937 633295792 /nfs/dbraw/zinc/29/57/92/633295792.db2.gz RCRBGGUYUOLQQJ-SUMWQHHRSA-N 0 1 285.387 3.402 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1Cl ZINC000824920613 633306318 /nfs/dbraw/zinc/30/63/18/633306318.db2.gz SLYUOZGXGAZDGW-WFASDCNBSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1Cl ZINC000824920613 633306320 /nfs/dbraw/zinc/30/63/20/633306320.db2.gz SLYUOZGXGAZDGW-WFASDCNBSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1Cl ZINC000824920613 633306323 /nfs/dbraw/zinc/30/63/23/633306323.db2.gz SLYUOZGXGAZDGW-WFASDCNBSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCOCC(F)(F)F)cc1Cl ZINC000825077765 633326238 /nfs/dbraw/zinc/32/62/38/633326238.db2.gz HVJNEKLGZYGMIL-UHFFFAOYSA-N 0 1 297.704 3.023 20 10 CGCDMN COCC1(C[NH2+]Cc2c([O-])cccc2Cl)CCCC1 ZINC000825245851 633338768 /nfs/dbraw/zinc/33/87/68/633338768.db2.gz SPLQITILTOURAG-UHFFFAOYSA-N 0 1 283.799 3.342 20 10 CGCDMN COC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000825322139 633345436 /nfs/dbraw/zinc/34/54/36/633345436.db2.gz YGWCOLMNZAOFDQ-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000825396655 633352209 /nfs/dbraw/zinc/35/22/09/633352209.db2.gz WFACXFVGCOCUSU-GHMZBOCLSA-N 0 1 283.799 3.400 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2COC(C)(C)C2)cc1Cl ZINC000826797541 633433385 /nfs/dbraw/zinc/43/33/85/633433385.db2.gz VQYXDWPLFLJAFD-NSHDSACASA-N 0 1 269.772 3.011 20 10 CGCDMN CCO[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000827005629 633448246 /nfs/dbraw/zinc/44/82/46/633448246.db2.gz GSUKIWVVNIUKRZ-SHTZXODSSA-N 0 1 271.360 3.203 20 10 CGCDMN CCN(CC)c1ccc(CN(C)Cc2cccnc2N)cc1 ZINC000827336531 633484177 /nfs/dbraw/zinc/48/41/77/633484177.db2.gz IBPQGKGMGVUJDG-UHFFFAOYSA-N 0 1 298.434 3.142 20 10 CGCDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)c1ccccc1O ZINC000827973570 633543346 /nfs/dbraw/zinc/54/33/46/633543346.db2.gz SYXNJRLDBULXCX-JTQLQIEISA-N 0 1 287.363 3.038 20 10 CGCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1cccc(O)c1F ZINC000872017538 633938903 /nfs/dbraw/zinc/93/89/03/633938903.db2.gz BNFJMKOJWGMMSQ-GFCCVEGCSA-N 0 1 288.366 3.448 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CCC[C@H](F)C1 ZINC000846120858 636147471 /nfs/dbraw/zinc/14/74/71/636147471.db2.gz TZTWWGQCMSSTQA-QMMMGPOBSA-N 0 1 261.699 3.119 20 10 CGCDMN CCCOc1ccc(CNCc2cnn(CC)c2)cc1C ZINC000873054638 634238148 /nfs/dbraw/zinc/23/81/48/634238148.db2.gz RCXXYRJUQDMJHI-UHFFFAOYSA-N 0 1 287.407 3.290 20 10 CGCDMN Cc1nccnc1[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000873187227 634276039 /nfs/dbraw/zinc/27/60/39/634276039.db2.gz OFCPFHMQUIFTBO-GXMNPTEKSA-N 0 1 296.418 3.215 20 10 CGCDMN COc1cccnc1CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000834907183 634283288 /nfs/dbraw/zinc/28/32/88/634283288.db2.gz YANYURJNPLSOAE-ZDUSSCGKSA-N 0 1 286.375 3.263 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000834912931 634285620 /nfs/dbraw/zinc/28/56/20/634285620.db2.gz YGXJLWDCOCJYNC-NWDGAFQWSA-N 0 1 281.371 3.387 20 10 CGCDMN CN(C)c1ccc(C=CCN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000835043091 634330743 /nfs/dbraw/zinc/33/07/43/634330743.db2.gz MVCBOZQIUOLJPF-BDUNBXCCSA-N 0 1 296.418 3.156 20 10 CGCDMN Cc1cc([C@H]2CCCN2Cc2ccc(C)cc2O)no1 ZINC000876591343 634863496 /nfs/dbraw/zinc/86/34/96/634863496.db2.gz HHJGKDPUCFEOHC-OAHLLOKOSA-N 0 1 272.348 3.334 20 10 CGCDMN CC[N@@H+](Cc1ccccn1)Cc1ccc(F)c(F)c1[O-] ZINC000876725449 634887152 /nfs/dbraw/zinc/88/71/52/634887152.db2.gz JJGMDLHCXAMDNB-UHFFFAOYSA-N 0 1 278.302 3.088 20 10 CGCDMN Cc1ccc(CN2CCCC[C@H]2c2cc[nH]n2)c(O)c1 ZINC000877515723 635067701 /nfs/dbraw/zinc/06/77/01/635067701.db2.gz NSJANOKWSHAAGH-HNNXBMFYSA-N 0 1 271.364 3.151 20 10 CGCDMN Cc1nc(CC[NH2+]Cc2c([O-])cc(C)cc2Cl)cs1 ZINC000840876802 635071195 /nfs/dbraw/zinc/07/11/95/635071195.db2.gz ZJOUNYDXGLPXNJ-UHFFFAOYSA-N 0 1 296.823 3.451 20 10 CGCDMN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840898608 635078200 /nfs/dbraw/zinc/07/82/00/635078200.db2.gz YWUHKVKAPFZKEO-NHYWBVRUSA-N 0 1 285.815 3.241 20 10 CGCDMN CCN(CC)c1ccc(CN(C)Cc2ccc(C)nn2)cc1 ZINC000840909988 635080448 /nfs/dbraw/zinc/08/04/48/635080448.db2.gz ODIUWQZHRMVRNF-UHFFFAOYSA-N 0 1 298.434 3.263 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000840916227 635081390 /nfs/dbraw/zinc/08/13/90/635081390.db2.gz HXUGPPRGWJMQBT-OLZOCXBDSA-N 0 1 295.810 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000840916227 635081391 /nfs/dbraw/zinc/08/13/91/635081391.db2.gz HXUGPPRGWJMQBT-OLZOCXBDSA-N 0 1 295.810 3.212 20 10 CGCDMN CC[C@@H]([NH2+]Cc1ccc2ccccc2c1[O-])[C@H](O)C(C)C ZINC000840968206 635096051 /nfs/dbraw/zinc/09/60/51/635096051.db2.gz OSDYYRFLQJZDJG-IAGOWNOFSA-N 0 1 287.403 3.431 20 10 CGCDMN Cc1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(O)c1 ZINC000877642046 635128702 /nfs/dbraw/zinc/12/87/02/635128702.db2.gz FBFRGSPGEJPFTF-HDICACEKSA-N 0 1 287.403 3.093 20 10 CGCDMN CC(C)(O)C1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000877754085 635183342 /nfs/dbraw/zinc/18/33/42/635183342.db2.gz VKWSAZQQTMCWIZ-UHFFFAOYSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000841690680 635213123 /nfs/dbraw/zinc/21/31/23/635213123.db2.gz MWIGNFRQOIGYGI-FRRDWIJNSA-N 0 1 270.376 3.417 20 10 CGCDMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000841690680 635213127 /nfs/dbraw/zinc/21/31/27/635213127.db2.gz MWIGNFRQOIGYGI-FRRDWIJNSA-N 0 1 270.376 3.417 20 10 CGCDMN C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841745054 635222468 /nfs/dbraw/zinc/22/24/68/635222468.db2.gz UBJCUVXMFLWCRW-ZBEGNZNMSA-N 0 1 291.778 3.430 20 10 CGCDMN CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841746567 635222779 /nfs/dbraw/zinc/22/27/79/635222779.db2.gz IBAQCYNNBYNTAL-JTQLQIEISA-N 0 1 271.788 3.247 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(Cl)cc1[O-] ZINC000841752211 635225302 /nfs/dbraw/zinc/22/53/02/635225302.db2.gz RNBJBODWQNLJHG-WCBMZHEXSA-N 0 1 257.786 3.202 20 10 CGCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1cn[nH]c1 ZINC000841752713 635226818 /nfs/dbraw/zinc/22/68/18/635226818.db2.gz VHSAGSOGHFPSLE-IUCAKERBSA-N 0 1 265.744 3.181 20 10 CGCDMN CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752420 635227638 /nfs/dbraw/zinc/22/76/38/635227638.db2.gz ARJYNYMXCJGCLU-BHYNMZESSA-N 0 1 269.772 3.264 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841764116 635233452 /nfs/dbraw/zinc/23/34/52/635233452.db2.gz PFEXADVTFPNQHH-SMDDNHRTSA-N 0 1 294.826 3.181 20 10 CGCDMN C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CC2(CCC2)O1 ZINC000843433376 635674107 /nfs/dbraw/zinc/67/41/07/635674107.db2.gz ZGKLTXGYRGRAEE-JTQLQIEISA-N 0 1 299.773 3.328 20 10 CGCDMN C[C@@H]1CC2(C[N@@H+]1Cc1cc(Cl)ccc1[O-])CCOCC2 ZINC000843432581 635674635 /nfs/dbraw/zinc/67/46/35/635674635.db2.gz ZASRVRIOMPKIEA-GFCCVEGCSA-N 0 1 295.810 3.437 20 10 CGCDMN C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1[O-])CCOCC2 ZINC000843432581 635674639 /nfs/dbraw/zinc/67/46/39/635674639.db2.gz ZASRVRIOMPKIEA-GFCCVEGCSA-N 0 1 295.810 3.437 20 10 CGCDMN CC[N@H+](CCSC)Cc1cc(Cl)ccc1[O-] ZINC000843437317 635676598 /nfs/dbraw/zinc/67/65/98/635676598.db2.gz AXNJHKMYXJILMQ-UHFFFAOYSA-N 0 1 259.802 3.231 20 10 CGCDMN CC[N@@H+](CCSC)Cc1cc(Cl)ccc1[O-] ZINC000843437317 635676599 /nfs/dbraw/zinc/67/65/99/635676599.db2.gz AXNJHKMYXJILMQ-UHFFFAOYSA-N 0 1 259.802 3.231 20 10 CGCDMN CC[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000846054792 636138878 /nfs/dbraw/zinc/13/88/78/636138878.db2.gz GDLHRBHDWIFRJP-FZMZJTMJSA-N 0 1 283.799 3.340 20 10 CGCDMN CCN(CC)c1ccc(CN[C@H]2CCCn3ccnc32)cc1 ZINC000848521369 636587186 /nfs/dbraw/zinc/58/71/86/636587186.db2.gz NKSMDDXHBOHPGS-KRWDZBQOSA-N 0 1 298.434 3.354 20 10 CGCDMN CCc1nc([C@@H](C)Sc2ncc(Cl)s2)n[nH]1 ZINC000850001884 636926039 /nfs/dbraw/zinc/92/60/39/636926039.db2.gz NWXMBYCWWJNTPP-RXMQYKEDSA-N 0 1 274.802 3.330 20 10 CGCDMN CC1(C)[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C1(F)F ZINC000850394598 637047028 /nfs/dbraw/zinc/04/70/28/637047028.db2.gz VVFBJGQLLKGELM-NSHDSACASA-N 0 1 275.726 3.427 20 10 CGCDMN CC[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1ccc(C)cc1O ZINC000850498761 637090934 /nfs/dbraw/zinc/09/09/34/637090934.db2.gz CRANZYVNLVPJPD-KWCYVHTRSA-N 0 1 286.379 3.039 20 10 CGCDMN CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000850513326 637098559 /nfs/dbraw/zinc/09/85/59/637098559.db2.gz GBDOVAREPDNBEU-YUSALJHKSA-N 0 1 269.772 3.264 20 10 CGCDMN COc1ccnc(CN[C@@H](C)c2cc(C)ccc2O)c1F ZINC000850536089 637112237 /nfs/dbraw/zinc/11/22/37/637112237.db2.gz BPWVNJZQOOJNRB-NSHDSACASA-N 0 1 290.338 3.094 20 10 CGCDMN CC[C@H](N[C@H](C)c1nccn1C)c1ccc(N(C)C)cc1 ZINC000850572710 637129948 /nfs/dbraw/zinc/12/99/48/637129948.db2.gz OELUGQNILFOVRO-CJNGLKHVSA-N 0 1 286.423 3.288 20 10 CGCDMN C[C@@H](CC1CC1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000112711614 638110076 /nfs/dbraw/zinc/11/00/76/638110076.db2.gz CIKXLYAQQFFFDK-VIFPVBQESA-N 0 1 284.197 3.433 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CC2(F)F)c(Cl)c1 ZINC000856802407 638392028 /nfs/dbraw/zinc/39/20/28/638392028.db2.gz HVGLZBNDIHSPIH-VIFPVBQESA-N 0 1 275.726 3.489 20 10 CGCDMN COc1ccc(N2CCN(CCCC(C)(F)F)CC2)cc1 ZINC000929152862 638903459 /nfs/dbraw/zinc/90/34/59/638903459.db2.gz HCSXAZVPTDURHL-UHFFFAOYSA-N 0 1 298.377 3.253 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc2ccccc2c1[O-] ZINC000040671902 639896486 /nfs/dbraw/zinc/89/64/86/639896486.db2.gz FGJSSWKLHKKVLW-UKRRQHHQSA-N 0 1 284.403 3.290 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccccn1 ZINC000159152513 640033026 /nfs/dbraw/zinc/03/30/26/640033026.db2.gz SBGFLTWPFAGFKE-CQSZACIVSA-N 0 1 269.392 3.307 20 10 CGCDMN COc1cc(-c2nc3ccc(Cl)cc3[nH]2)cc(O)c1O ZINC000194102946 640513470 /nfs/dbraw/zinc/51/34/70/640513470.db2.gz KSXQQHQWHXVEBT-UHFFFAOYSA-N 0 1 290.706 3.303 20 10 CGCDMN C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C)CO1 ZINC000245541646 640625631 /nfs/dbraw/zinc/62/56/31/640625631.db2.gz OOXKRSAQVAQPOT-HOTGVXAUSA-N 0 1 288.435 3.286 20 10 CGCDMN C[C@@H]1[C@H](C)OCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000093417768 640771322 /nfs/dbraw/zinc/77/13/22/640771322.db2.gz ZFRLHTRQCZRKNS-CVEARBPZSA-N 0 1 288.435 3.286 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccc2ccccc2c1[O-] ZINC000252752536 640863054 /nfs/dbraw/zinc/86/30/54/640863054.db2.gz HNKJWDRGANAYJP-RWMBFGLXSA-N 0 1 273.376 3.355 20 10 CGCDMN C[N@H+](Cc1ccccc1O)Cc1c([O-])cccc1Cl ZINC000120055918 641046041 /nfs/dbraw/zinc/04/60/41/641046041.db2.gz AWQLDXWHMSCEOI-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN C[N@@H+](Cc1ccccc1O)Cc1c([O-])cccc1Cl ZINC000120055918 641046045 /nfs/dbraw/zinc/04/60/45/641046045.db2.gz AWQLDXWHMSCEOI-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN CCCCCC[C@@H](C)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001257361166 807123113 /nfs/dbraw/zinc/12/31/13/807123113.db2.gz FHJZINGDEQIARX-GFCCVEGCSA-N 0 1 279.380 3.229 20 10 CGCDMN CCOc1ccc(N2CCN(CC=C(C)C)CC2)cc1 ZINC001253831881 806314127 /nfs/dbraw/zinc/31/41/27/806314127.db2.gz NATYHCVAOPVSIH-UHFFFAOYSA-N 0 1 274.408 3.174 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000037565490 798868937 /nfs/dbraw/zinc/86/89/37/798868937.db2.gz DLDGMLBITABLMV-GFCCVEGCSA-N 0 1 273.763 3.475 20 10 CGCDMN Cc1ccc(O)c(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000093338372 798964589 /nfs/dbraw/zinc/96/45/89/798964589.db2.gz ROGFTUFHUZCMJR-UHFFFAOYSA-N 0 1 298.342 3.167 20 10 CGCDMN COc1ccc(O)c(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000114505874 798985791 /nfs/dbraw/zinc/98/57/91/798985791.db2.gz JTHKZUBQFXZKIW-UHFFFAOYSA-N 0 1 293.750 3.050 20 10 CGCDMN Cc1cc(O)c(CN2CCOC(C)(C)C2)cc1C(C)C ZINC000126272673 799006224 /nfs/dbraw/zinc/00/62/24/799006224.db2.gz YMFXQFOJWPSRPV-UHFFFAOYSA-N 0 1 277.408 3.435 20 10 CGCDMN C[C@H]([NH2+]CC1(N(C)C)CC1)c1ccc2ccccc2c1[O-] ZINC000397869729 799522259 /nfs/dbraw/zinc/52/22/59/799522259.db2.gz IWKOOXCGHDWTMA-ZDUSSCGKSA-N 0 1 284.403 3.290 20 10 CGCDMN CO[C@@H](C)C[N@@H+](Cc1cccc(Cl)c1[O-])C(C)C ZINC000688094490 799744520 /nfs/dbraw/zinc/74/45/20/799744520.db2.gz KBFNLPOMNMKMED-NSHDSACASA-N 0 1 271.788 3.291 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000698917239 799858178 /nfs/dbraw/zinc/85/81/78/799858178.db2.gz BLOIYSDYCHVNFC-QWRGUYRKSA-N 0 1 251.757 3.181 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH+]1C2CCC1CC2 ZINC000701191833 799885639 /nfs/dbraw/zinc/88/56/39/799885639.db2.gz GOKROKCEIQKFID-UHFFFAOYSA-N 0 1 282.181 3.282 20 10 CGCDMN C[C@@H]([NH2+]CCOCCF)c1ccc2ccccc2c1[O-] ZINC000702627542 799910832 /nfs/dbraw/zinc/91/08/32/799910832.db2.gz TZSAAJHVNNGPAD-GFCCVEGCSA-N 0 1 277.339 3.182 20 10 CGCDMN C[C@H]1CCC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000706857803 799969133 /nfs/dbraw/zinc/96/91/33/799969133.db2.gz FXUQOZHMQGOIIB-JOYOIKCWSA-N 0 1 284.197 3.433 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCC12CC2 ZINC000706934544 799970349 /nfs/dbraw/zinc/97/03/49/799970349.db2.gz FORYSHUCXMIDDN-CYBMUJFWSA-N 0 1 251.757 3.468 20 10 CGCDMN CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C12CCC2 ZINC000713470884 800109433 /nfs/dbraw/zinc/10/94/33/800109433.db2.gz JJQLXCPYJPPDKU-KBPBESRZSA-N 0 1 281.783 3.093 20 10 CGCDMN C[C@H]1CCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000715704533 800144713 /nfs/dbraw/zinc/14/47/13/800144713.db2.gz XAEZZYVUBXQXFL-QMMMGPOBSA-N 0 1 288.160 3.278 20 10 CGCDMN C[C@@H](NCc1cc(Br)cc(F)c1O)C(F)F ZINC000715819125 800147295 /nfs/dbraw/zinc/14/72/95/800147295.db2.gz TTZMILJCQQLLMJ-RXMQYKEDSA-N 0 1 298.102 3.037 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1Nc1cc[nH+]cc1 ZINC001173883846 808738913 /nfs/dbraw/zinc/73/89/13/808738913.db2.gz WZRFIUQUXRMQHY-UHFFFAOYSA-N 0 1 255.104 3.260 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC001204992392 812814606 /nfs/dbraw/zinc/81/46/06/812814606.db2.gz CBFBMFVPJGKKJH-HNNXBMFYSA-N 0 1 297.345 3.061 20 10 CGCDMN CCCOc1ccc(-c2nccc3c2ccn3C)cn1 ZINC001245230063 803669439 /nfs/dbraw/zinc/66/94/39/803669439.db2.gz YBKPJMBKPJGXGO-UHFFFAOYSA-N 0 1 267.332 3.424 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001138127657 803862897 /nfs/dbraw/zinc/86/28/97/803862897.db2.gz KCEDSDYXDSLSGN-SNVBAGLBSA-N 0 1 259.271 3.008 20 10 CGCDMN CCN(Cc1cn2c(cccc2F)n1)Cc1ccccc1O ZINC001139573585 804212985 /nfs/dbraw/zinc/21/29/85/804212985.db2.gz GYYLCBMVMZSFPC-UHFFFAOYSA-N 0 1 299.349 3.201 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001140103957 804377206 /nfs/dbraw/zinc/37/72/06/804377206.db2.gz VNSNPTYKTMHQHT-SKDRFNHKSA-N 0 1 282.181 3.139 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001140103957 804377214 /nfs/dbraw/zinc/37/72/14/804377214.db2.gz VNSNPTYKTMHQHT-SKDRFNHKSA-N 0 1 282.181 3.139 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH+]1CC(c2cccnc2)C1 ZINC001140465064 804443173 /nfs/dbraw/zinc/44/31/73/804443173.db2.gz GYWBTPKZPSALSB-UHFFFAOYSA-N 0 1 274.751 3.040 20 10 CGCDMN CC[N@@H+](Cc1ccncc1)Cc1c([O-])cc(F)cc1F ZINC001140579833 804466247 /nfs/dbraw/zinc/46/62/47/804466247.db2.gz IRAPAKLGDRBSOR-UHFFFAOYSA-N 0 1 278.302 3.088 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)[C@H](C)C1 ZINC001140583958 804468405 /nfs/dbraw/zinc/46/84/05/804468405.db2.gz ZUAPBYFIODSNIF-NXEZZACHSA-N 0 1 255.308 3.291 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC001140584201 804468600 /nfs/dbraw/zinc/46/86/00/804468600.db2.gz ILOMVGIUMDOLLC-UHFFFAOYSA-N 0 1 293.288 3.368 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCc2cc(F)ccc2C1 ZINC001140584201 804468602 /nfs/dbraw/zinc/46/86/02/804468602.db2.gz ILOMVGIUMDOLLC-UHFFFAOYSA-N 0 1 293.288 3.368 20 10 CGCDMN Cc1ccc(CN2CCCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001140948197 804556130 /nfs/dbraw/zinc/55/61/30/804556130.db2.gz XWLRCSGURFBRBF-ZDUSSCGKSA-N 0 1 273.298 3.270 20 10 CGCDMN COc1cccc(CC[N@@H+](C)Cc2ccc(C)cc2O)c1 ZINC001140951038 804557271 /nfs/dbraw/zinc/55/72/71/804557271.db2.gz VOJFRCLLSOHXMP-UHFFFAOYSA-N 0 1 285.387 3.384 20 10 CGCDMN COc1cc(O)c(C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC001141032014 804574830 /nfs/dbraw/zinc/57/48/30/804574830.db2.gz QBWRBKYFPHFIST-UHFFFAOYSA-N 0 1 279.380 3.174 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001142524667 804731950 /nfs/dbraw/zinc/73/19/50/804731950.db2.gz GBHNGFSYLWJDNY-QMMMGPOBSA-N 0 1 281.224 3.055 20 10 CGCDMN CCOc1ccnc(N(CC)Cc2ccccc2O)c1 ZINC001154889132 805504852 /nfs/dbraw/zinc/50/48/52/805504852.db2.gz PMRQRCMFJXSKFK-UHFFFAOYSA-N 0 1 272.348 3.212 20 10 CGCDMN Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cnn1C ZINC001261374674 807740377 /nfs/dbraw/zinc/74/03/77/807740377.db2.gz QJWSFOOTMYBHRV-UWVGGRQHSA-N 0 1 293.798 3.499 20 10 CGCDMN COc1cc(C)c(CNc2ccc3c(n2)CCC3)c(O)c1 ZINC001181827297 810075124 /nfs/dbraw/zinc/07/51/24/810075124.db2.gz JORVQRJKPPGUOH-UHFFFAOYSA-N 0 1 284.359 3.205 20 10 CGCDMN CCCCC[N@H+](C)Cc1cc(Cl)c([O-])cc1O ZINC001232259448 818296432 /nfs/dbraw/zinc/29/64/32/818296432.db2.gz YEDWKNYDCVCNNS-UHFFFAOYSA-N 0 1 257.761 3.373 20 10 CGCDMN CCCCC[N@@H+](C)Cc1cc(Cl)c([O-])cc1O ZINC001232259448 818296439 /nfs/dbraw/zinc/29/64/39/818296439.db2.gz YEDWKNYDCVCNNS-UHFFFAOYSA-N 0 1 257.761 3.373 20 10 CGCDMN O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC001203561366 812393084 /nfs/dbraw/zinc/39/30/84/812393084.db2.gz SOVLWPBHSDPXJT-MRXNPFEDSA-N 0 1 281.355 3.097 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC2(CSC2)C1 ZINC001203585215 812399747 /nfs/dbraw/zinc/39/97/47/812399747.db2.gz FHMZCALUHUKQIP-UHFFFAOYSA-N 0 1 290.215 3.248 20 10 CGCDMN CC1CC([N@H+](C)Cc2cc(Br)ccc2[O-])C1 ZINC001203635880 812412088 /nfs/dbraw/zinc/41/20/88/812412088.db2.gz JSXUCPRRDHXTSH-UHFFFAOYSA-N 0 1 284.197 3.385 20 10 CGCDMN CC1CC([N@@H+](C)Cc2cc(Br)ccc2[O-])C1 ZINC001203635880 812412098 /nfs/dbraw/zinc/41/20/98/812412098.db2.gz JSXUCPRRDHXTSH-UHFFFAOYSA-N 0 1 284.197 3.385 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001203651758 812416214 /nfs/dbraw/zinc/41/62/14/812416214.db2.gz UATVJYVAXSAOOP-IAQYHMDHSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001203651758 812416219 /nfs/dbraw/zinc/41/62/19/812416219.db2.gz UATVJYVAXSAOOP-IAQYHMDHSA-N 0 1 281.783 3.047 20 10 CGCDMN CN(C)c1ccc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001203930551 812494580 /nfs/dbraw/zinc/49/45/80/812494580.db2.gz YIAYDIKBOGBNDQ-SJORKVTESA-N 0 1 286.419 3.086 20 10 CGCDMN CCN(CC)c1ccc(CN2CCc3ccncc3C2)cc1 ZINC001203942432 812497513 /nfs/dbraw/zinc/49/75/13/812497513.db2.gz QJCKPVIKUQYQKI-UHFFFAOYSA-N 0 1 295.430 3.486 20 10 CGCDMN CCN(Cc1ccc(O)cc1O)Cc1cccc(F)c1F ZINC001204277248 812594361 /nfs/dbraw/zinc/59/43/61/812594361.db2.gz AHSSVQLIYBVRAX-UHFFFAOYSA-N 0 1 293.313 3.398 20 10 CGCDMN CC(=O)[C@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 ZINC001204328297 812614871 /nfs/dbraw/zinc/61/48/71/812614871.db2.gz GHGVJMNNYCIMKT-GOSISDBHSA-N 0 1 286.419 3.230 20 10 CGCDMN CC(C)[C@@](C)(N)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217732866 815951301 /nfs/dbraw/zinc/95/13/01/815951301.db2.gz IGUOMINZDQMIPP-QGZVFWFLSA-N 0 1 296.374 3.357 20 10 CGCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC001231563246 818124755 /nfs/dbraw/zinc/12/47/55/818124755.db2.gz GSFUVLZAUGYLNR-INIZCTEOSA-N 0 1 297.354 3.428 20 10 CGCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCCC1=O ZINC001231587540 818129287 /nfs/dbraw/zinc/12/92/87/818129287.db2.gz FCNIYPWEFASTFS-ZDUSSCGKSA-N 0 1 283.371 3.346 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCCC1=O ZINC001231587540 818129291 /nfs/dbraw/zinc/12/92/91/818129291.db2.gz FCNIYPWEFASTFS-ZDUSSCGKSA-N 0 1 283.371 3.346 20 10 CGCDMN Cc1cc(C)c(CN2CC(Oc3ccccc3)C2)c(O)c1 ZINC001231843811 818185596 /nfs/dbraw/zinc/18/55/96/818185596.db2.gz BIAOSYREBUXQET-UHFFFAOYSA-N 0 1 283.371 3.272 20 10 CGCDMN COc1cc(N(C)C)ccc1CN1CCC(F)(F)[C@@H](C)C1 ZINC001231849222 818189068 /nfs/dbraw/zinc/18/90/68/818189068.db2.gz OWBFSORFTPVWGI-LBPRGKRZSA-N 0 1 298.377 3.238 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCCC3(COC3)C2)ccc2ccccc21 ZINC001231879829 818199377 /nfs/dbraw/zinc/19/93/77/818199377.db2.gz RHWPSKHGHPTDQI-UHFFFAOYSA-N 0 1 283.371 3.158 20 10 CGCDMN [O-]c1c(C[N@H+]2CCCC3(COC3)C2)ccc2ccccc21 ZINC001231879829 818199384 /nfs/dbraw/zinc/19/93/84/818199384.db2.gz RHWPSKHGHPTDQI-UHFFFAOYSA-N 0 1 283.371 3.158 20 10 CGCDMN O=C1CCC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]12 ZINC001231883177 818201821 /nfs/dbraw/zinc/20/18/21/818201821.db2.gz HAUPDBDYVGRNKC-WMLDXEAASA-N 0 1 295.382 3.346 20 10 CGCDMN O=C1CCC[C@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]12 ZINC001231883177 818201826 /nfs/dbraw/zinc/20/18/26/818201826.db2.gz HAUPDBDYVGRNKC-WMLDXEAASA-N 0 1 295.382 3.346 20 10 CGCDMN CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232264962 818296944 /nfs/dbraw/zinc/29/69/44/818296944.db2.gz PREIMWVNHSZYPP-GFCCVEGCSA-N 0 1 299.798 3.055 20 10 CGCDMN CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232264962 818296947 /nfs/dbraw/zinc/29/69/47/818296947.db2.gz PREIMWVNHSZYPP-GFCCVEGCSA-N 0 1 299.798 3.055 20 10 CGCDMN CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232264962 818296950 /nfs/dbraw/zinc/29/69/50/818296950.db2.gz PREIMWVNHSZYPP-GFCCVEGCSA-N 0 1 299.798 3.055 20 10 CGCDMN COc1cc([O-])c(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001232266086 818297529 /nfs/dbraw/zinc/29/75/29/818297529.db2.gz IOHNMISQXTTZSS-QWRGUYRKSA-N 0 1 281.783 3.286 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)c([O-])cc1O)C[C@@H]1CC1(C)C ZINC001232262442 818298227 /nfs/dbraw/zinc/29/82/27/818298227.db2.gz HUBNKRFBOPJRAG-JTQLQIEISA-N 0 1 269.772 3.229 20 10 CGCDMN C[N@H+](Cc1cc(Cl)c([O-])cc1O)C[C@@H]1CC1(C)C ZINC001232262442 818298233 /nfs/dbraw/zinc/29/82/33/818298233.db2.gz HUBNKRFBOPJRAG-JTQLQIEISA-N 0 1 269.772 3.229 20 10 CGCDMN C[C@]1(CF)CC(F)(F)CN1Cc1ccc(F)c(F)c1O ZINC001233075744 818517486 /nfs/dbraw/zinc/51/74/86/818517486.db2.gz BZXUTABABNZGPW-GFCCVEGCSA-N 0 1 295.251 3.240 20 10 CGCDMN COCC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233077147 818519078 /nfs/dbraw/zinc/51/90/78/818519078.db2.gz GYHWHNUMBIAVOC-GFCCVEGCSA-N 0 1 285.334 3.061 20 10 CGCDMN CC(C)[N@@H+](CCCCCO)Cc1ccc(F)c(F)c1[O-] ZINC001233078652 818519997 /nfs/dbraw/zinc/51/99/97/818519997.db2.gz CVQWMOZSBKKKIC-UHFFFAOYSA-N 0 1 287.350 3.043 20 10 CGCDMN COc1cc(Cl)cc(CN2CC3(CCC3)C2)c1O ZINC001233287780 818570376 /nfs/dbraw/zinc/57/03/76/818570376.db2.gz HJDIZWBWLFWMBU-UHFFFAOYSA-N 0 1 267.756 3.040 20 10 CGCDMN CC(C)(C)c1ccc(O)c(CN2CC(C(F)F)C2)c1 ZINC001233287331 818571155 /nfs/dbraw/zinc/57/11/55/818571155.db2.gz KEAWHPNSGXNBRA-UHFFFAOYSA-N 0 1 269.335 3.387 20 10 CGCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCCC(F)(F)CC1 ZINC001233331739 818582570 /nfs/dbraw/zinc/58/25/70/818582570.db2.gz JERDIYZMAJZCRZ-UHFFFAOYSA-N 0 1 277.261 3.292 20 10 CGCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCc2ccccc2C1 ZINC001233332065 818584770 /nfs/dbraw/zinc/58/47/70/818584770.db2.gz XFMUVCGBCCPMKX-UHFFFAOYSA-N 0 1 275.298 3.229 20 10 CGCDMN C[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451433 818623208 /nfs/dbraw/zinc/62/32/08/818623208.db2.gz KJZMVTUTBUGMAH-VIFPVBQESA-N 0 1 259.271 3.395 20 10 CGCDMN C[C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451433 818623212 /nfs/dbraw/zinc/62/32/12/818623212.db2.gz KJZMVTUTBUGMAH-VIFPVBQESA-N 0 1 259.271 3.395 20 10 CGCDMN CC(C)(C)c1ccc(C[N@H+]2CCC[C@@]3(CCO3)C2)c(O)c1 ZINC001235680223 819140040 /nfs/dbraw/zinc/14/00/40/819140040.db2.gz TXURHYQUPZJECC-GOSISDBHSA-N 0 1 289.419 3.445 20 10 CGCDMN C[C@@H]1[C@H]([NH3+])CCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001236417464 819463344 /nfs/dbraw/zinc/46/33/44/819463344.db2.gz DRTAZUJWDKPWGP-LDYMZIIASA-N 0 1 289.206 3.011 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](F)CC2)c(Cl)c1 ZINC001236797883 819598870 /nfs/dbraw/zinc/59/88/70/819598870.db2.gz JQNUQHUDNAUNOD-SNVBAGLBSA-N 0 1 287.762 3.378 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](F)CC2)c(Cl)c1 ZINC001236797883 819598873 /nfs/dbraw/zinc/59/88/73/819598873.db2.gz JQNUQHUDNAUNOD-SNVBAGLBSA-N 0 1 287.762 3.378 20 10 CGCDMN COc1cc([O-])c(C[NH+]2CCC3(CC3)CC2)c(Cl)c1 ZINC001236798238 819600685 /nfs/dbraw/zinc/60/06/85/819600685.db2.gz LYMYDNMRLKAXCM-UHFFFAOYSA-N 0 1 281.783 3.430 20 10 CGCDMN COc1ccc(C[N@H+]2CC3CCC2CC3)c([O-])c1Cl ZINC001236812559 819604887 /nfs/dbraw/zinc/60/48/87/819604887.db2.gz YXHSJWXYYLPWFK-UHFFFAOYSA-N 0 1 281.783 3.429 20 10 CGCDMN CCOc1ccc(C[N@H+]2CCCC[C@H]2CCOC)c(O)c1 ZINC001237041010 819648079 /nfs/dbraw/zinc/64/80/79/819648079.db2.gz AHZAZHZUFUTADS-HNNXBMFYSA-N 0 1 293.407 3.182 20 10 CGCDMN CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC001237049828 819651585 /nfs/dbraw/zinc/65/15/85/819651585.db2.gz LKGTWHKKJMGSNG-KBPBESRZSA-N 0 1 275.392 3.413 20 10 CGCDMN C[N@@H+](Cc1c([O-])ccc(F)c1Cl)CC1CCOCC1 ZINC001237122561 819672764 /nfs/dbraw/zinc/67/27/64/819672764.db2.gz VZSBJIWEBJEMCJ-UHFFFAOYSA-N 0 1 287.762 3.043 20 10 CGCDMN C[N@H+](Cc1c([O-])ccc(F)c1Cl)CC1CCOCC1 ZINC001237122561 819672768 /nfs/dbraw/zinc/67/27/68/819672768.db2.gz VZSBJIWEBJEMCJ-UHFFFAOYSA-N 0 1 287.762 3.043 20 10 CGCDMN CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237686774 819805538 /nfs/dbraw/zinc/80/55/38/819805538.db2.gz NTUQUDKPHQMZCE-GFCCVEGCSA-N 0 1 281.783 3.155 20 10 CGCDMN COC[C@H]1CCCC[N@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237935835 819886839 /nfs/dbraw/zinc/88/68/39/819886839.db2.gz ZOWCEAHTYDSJNX-LLVKDONJSA-N 0 1 287.762 3.186 20 10 CGCDMN CN1CCN(c2ccc(/C=C/C(C)(C)C)cc2)CC1 ZINC001241563279 821949846 /nfs/dbraw/zinc/94/98/46/821949846.db2.gz INTCFKBHRLYTDB-MDZDMXLPSA-N 0 1 258.409 3.498 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001346029709 936835456 /nfs/dbraw/zinc/83/54/56/936835456.db2.gz QWCHESDNEVDSJN-NWDGAFQWSA-N 0 1 257.736 3.416 20 10 CGCDMN C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc2ccccc2c1[O-] ZINC000402389083 932017259 /nfs/dbraw/zinc/01/72/59/932017259.db2.gz RYWYCCAKGOXNAB-MBNYWOFBSA-N 0 1 271.360 3.373 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC(C)(C)CC[C@H]2CO)cc1Cl ZINC001462531202 937647769 /nfs/dbraw/zinc/64/77/69/937647769.db2.gz CXXOLQJLKABBIH-ZDUSSCGKSA-N 0 1 297.826 3.337 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC(C)(C)CC[C@H]2CO)cc1Cl ZINC001462531202 937647771 /nfs/dbraw/zinc/64/77/71/937647771.db2.gz CXXOLQJLKABBIH-ZDUSSCGKSA-N 0 1 297.826 3.337 20 10 CGCDMN Oc1cccc2c1CN(c1ccncc1C(F)(F)F)C2 ZINC001472860220 937787047 /nfs/dbraw/zinc/78/70/47/937787047.db2.gz NHZIWZXBIXWXKY-UHFFFAOYSA-N 0 1 280.249 3.326 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1Cl ZINC001327823741 935087205 /nfs/dbraw/zinc/08/72/05/935087205.db2.gz IZUZZWVCDQJOIF-PWSUYJOCSA-N 0 1 269.772 3.011 20 10 CGCDMN Cc1cc(CNCc2cc(C)n(-c3ccccc3)c2C)[nH]n1 ZINC001328789231 935168596 /nfs/dbraw/zinc/16/85/96/935168596.db2.gz NJXWOPRNUAKBLC-UHFFFAOYSA-N 0 1 294.402 3.415 20 10 CGCDMN Oc1ccccc1CNCc1nc(-c2ccccc2)c[nH]1 ZINC001329009470 935178407 /nfs/dbraw/zinc/17/84/07/935178407.db2.gz RUZZOHYWRJXFLY-UHFFFAOYSA-N 0 1 279.343 3.072 20 10 CGCDMN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1csc(N)n1 ZINC001335252460 936135708 /nfs/dbraw/zinc/13/57/08/936135708.db2.gz ILGPPMITIVGBJR-GXSJLCMTSA-N 0 1 289.404 3.077 20 10 CGCDMN CCN1CCCC[C@@H]1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC001560329950 938253755 /nfs/dbraw/zinc/25/37/55/938253755.db2.gz YTXXQVIPWBVPTC-CYBMUJFWSA-N 0 1 296.842 3.318 20 10 CGCDMN CS[C@@H]1CCCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001560641107 938267671 /nfs/dbraw/zinc/26/76/71/938267671.db2.gz SYDJEGSLYOLMKM-LLVKDONJSA-N 0 1 287.375 3.388 20 10 CGCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C12CCC2 ZINC001560834383 938278280 /nfs/dbraw/zinc/27/82/80/938278280.db2.gz MCOKBSBSEHPYIM-OLZOCXBDSA-N 0 1 297.345 3.060 20 10 CGCDMN [O-]c1c(C[NH2+]Cc2cnn(CCF)c2)ccc2ccccc12 ZINC001561028506 938290276 /nfs/dbraw/zinc/29/02/76/938290276.db2.gz LDWDUFDXPPJOCT-UHFFFAOYSA-N 0 1 299.349 3.001 20 10 CGCDMN CN(C)c1ccc(CN2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000281260916 282289737 /nfs/dbraw/zinc/28/97/37/282289737.db2.gz NDINLJRPSPHHIQ-GOSISDBHSA-N 0 1 298.434 3.213 20 10 CGCDMN CN(CCF)Cc1ccc(OCc2ccccc2)cc1O ZINC000293778000 372479346 /nfs/dbraw/zinc/47/93/46/372479346.db2.gz YZLXWQWUSMFQJV-UHFFFAOYSA-N 0 1 289.350 3.373 20 10 CGCDMN CC[C@H](NCc1nnc(C(C)C)[nH]1)c1ccc(C)cc1O ZINC000296450793 373137846 /nfs/dbraw/zinc/13/78/46/373137846.db2.gz MTONZLBTORKGMO-ZDUSSCGKSA-N 0 1 288.395 3.183 20 10 CGCDMN CCn1ccnc1CN[C@H](C)c1cc(Cl)ccc1O ZINC000296641020 373202842 /nfs/dbraw/zinc/20/28/42/373202842.db2.gz YCIKMQTZNPGDFF-SNVBAGLBSA-N 0 1 279.771 3.113 20 10 CGCDMN C[C@@H](CCO)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000297338797 373266310 /nfs/dbraw/zinc/26/63/10/373266310.db2.gz OINWYPUSZQNBSI-MNOVXSKESA-N 0 1 271.788 3.105 20 10 CGCDMN COc1cc(C[N@@H+](Cc2ccccc2O)C2CC2)ccc1O ZINC000190014614 375468531 /nfs/dbraw/zinc/46/85/31/375468531.db2.gz BPTZFHOAGGHRIH-UHFFFAOYSA-N 0 1 299.370 3.271 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271361011 378489277 /nfs/dbraw/zinc/48/92/77/378489277.db2.gz NFYXPLLMCGDSOJ-USXIJHARSA-N 0 1 289.419 3.418 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271361011 378489283 /nfs/dbraw/zinc/48/92/83/378489283.db2.gz NFYXPLLMCGDSOJ-USXIJHARSA-N 0 1 289.419 3.418 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000271727460 378502626 /nfs/dbraw/zinc/50/26/26/378502626.db2.gz LZXWNKNWHNSYQR-GFCCVEGCSA-N 0 1 291.782 3.148 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000273345803 378742458 /nfs/dbraw/zinc/74/24/58/378742458.db2.gz ARFDYDFSSPSHFM-WPRPVWTQSA-N 0 1 257.786 3.202 20 10 CGCDMN C[C@H](CCO)C1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCC1 ZINC000273445306 378745608 /nfs/dbraw/zinc/74/56/08/378745608.db2.gz DYCHITSDCHCCKS-CHWSQXEVSA-N 0 1 295.398 3.371 20 10 CGCDMN C[C@H]([NH2+]CCCCCCO)c1cc(Cl)ccc1[O-] ZINC000186231096 262085432 /nfs/dbraw/zinc/08/54/32/262085432.db2.gz FVDVBZHMTFSAJV-NSHDSACASA-N 0 1 271.788 3.249 20 10 CGCDMN Cc1nc(CC[NH2+]Cc2c([O-])cccc2Cl)sc1C ZINC000122725900 260722264 /nfs/dbraw/zinc/72/22/64/260722264.db2.gz JTKAGDMQAYOMRC-UHFFFAOYSA-N 0 1 296.823 3.451 20 10 CGCDMN CCn1cc([C@@H](C)NCc2ccc(OC)c(C)c2)cn1 ZINC000155408532 261101775 /nfs/dbraw/zinc/10/17/75/261101775.db2.gz JIHCJAKDVVCMID-CYBMUJFWSA-N 0 1 273.380 3.071 20 10 CGCDMN CCOc1cccc(CN(C)Cc2ccc(C)o2)c1O ZINC000160856229 261229304 /nfs/dbraw/zinc/22/93/04/261229304.db2.gz UOOPLVDBGPZLOT-UHFFFAOYSA-N 0 1 275.348 3.324 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000185089695 262040850 /nfs/dbraw/zinc/04/08/50/262040850.db2.gz FAFHOTCUGOJTBD-QWRGUYRKSA-N 0 1 269.772 3.123 20 10 CGCDMN CC[C@@H](CCO)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185676886 262066012 /nfs/dbraw/zinc/06/60/12/262066012.db2.gz PQEOSTHQNQQWPC-MNOVXSKESA-N 0 1 271.788 3.105 20 10 CGCDMN CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186174969 262082492 /nfs/dbraw/zinc/08/24/92/262082492.db2.gz CZIJLTMOEBMDTO-ABAIWWIYSA-N 0 1 283.387 3.225 20 10 CGCDMN CCOc1cccc(CN[C@@H](C)c2ncc(C)s2)c1O ZINC000134911157 334108103 /nfs/dbraw/zinc/10/81/03/334108103.db2.gz YDTWKNFAPLQVBL-NSHDSACASA-N 0 1 292.404 3.407 20 10 CGCDMN CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278214697 523029848 /nfs/dbraw/zinc/02/98/48/523029848.db2.gz KRGQBDFWYLIUIY-LBPRGKRZSA-N 0 1 294.351 3.074 20 10 CGCDMN CN(Cc1ccc(C(F)(F)F)cn1)Cc1ccccc1O ZINC000277842991 523215546 /nfs/dbraw/zinc/21/55/46/523215546.db2.gz 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/nfs/dbraw/zinc/32/89/47/572328947.db2.gz QENBQXAXWRMQST-MRXNPFEDSA-N 0 1 291.366 3.498 20 10 CGCDMN CC[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1CCOC1 ZINC000738081478 572364764 /nfs/dbraw/zinc/36/47/64/572364764.db2.gz LBBRCHTXSUKKJV-CQSZACIVSA-N 0 1 285.387 3.404 20 10 CGCDMN CC[N@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1CCOC1 ZINC000738081478 572364765 /nfs/dbraw/zinc/36/47/65/572364765.db2.gz LBBRCHTXSUKKJV-CQSZACIVSA-N 0 1 285.387 3.404 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[Si](C)(C)C ZINC000731212792 572402164 /nfs/dbraw/zinc/40/21/64/572402164.db2.gz SXUHTVVKZOOMAF-UHFFFAOYSA-N 0 1 251.446 3.482 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[Si](C)(C)C ZINC000731212792 572402170 /nfs/dbraw/zinc/40/21/70/572402170.db2.gz SXUHTVVKZOOMAF-UHFFFAOYSA-N 0 1 251.446 3.482 20 10 CGCDMN CCOc1ccc(CNCc2ccc(Cl)o2)c(O)c1 ZINC000725841785 572435687 /nfs/dbraw/zinc/43/56/87/572435687.db2.gz NJUMBUBYQNJRPZ-UHFFFAOYSA-N 0 1 281.739 3.327 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736797986 572814154 /nfs/dbraw/zinc/81/41/54/572814154.db2.gz PIOBESPQXAMIJM-NSHDSACASA-N 0 1 285.343 3.085 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862442117 629373903 /nfs/dbraw/zinc/37/39/03/629373903.db2.gz XVEYUOHXGNCNKB-OCAPTIKFSA-N 0 1 258.148 3.151 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1C(C)C ZINC000832898822 601894279 /nfs/dbraw/zinc/89/42/79/601894279.db2.gz LHOPURDHSHLDLB-QGZVFWFLSA-N 0 1 291.391 3.121 20 10 CGCDMN CN(Cc1cnn(CC2CCC2)c1)Cc1ccccc1O ZINC000891713441 618255023 /nfs/dbraw/zinc/25/50/23/618255023.db2.gz DUWJVHQLFLZUTD-UHFFFAOYSA-N 0 1 285.391 3.021 20 10 CGCDMN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C)c1O ZINC000162819147 618883324 /nfs/dbraw/zinc/88/33/24/618883324.db2.gz JGTVOCFEFXHMSM-SNVBAGLBSA-N 0 1 284.197 3.447 20 10 CGCDMN C[C@@H]1SCC[C@@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000309814304 618963279 /nfs/dbraw/zinc/96/32/79/618963279.db2.gz AIPNUMUZPZQPHJ-KWQFWETISA-N 0 1 257.786 3.029 20 10 CGCDMN CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776220680 619117459 /nfs/dbraw/zinc/11/74/59/619117459.db2.gz YRTLAMYAPHXNGH-IINYFYTJSA-N 0 1 285.815 3.241 20 10 CGCDMN CCOc1ccc(CN[C@H](C)c2cc(OC)ccc2O)o1 ZINC000894501611 619558071 /nfs/dbraw/zinc/55/80/71/619558071.db2.gz BXVPLZNDNNEXCB-LLVKDONJSA-N 0 1 291.347 3.243 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2(C3(O)CCC3)CC2)cc1Cl ZINC000897528143 620372567 /nfs/dbraw/zinc/37/25/67/620372567.db2.gz XJLWXWKSUKNIAB-UHFFFAOYSA-N 0 1 295.810 3.139 20 10 CGCDMN CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179323425 620385719 /nfs/dbraw/zinc/38/57/19/620385719.db2.gz GRYQCGNJJGCPDR-MRVPVSSYSA-N 0 1 272.732 3.184 20 10 CGCDMN [O-]c1c(Cl)cccc1CN1CC[NH2+]Cc2ccccc21 ZINC000841035809 620419901 /nfs/dbraw/zinc/41/99/01/620419901.db2.gz MWSVCUCYQSXBTD-UHFFFAOYSA-N 0 1 288.778 3.155 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2cccnc2C)c(Cl)c1 ZINC000898251770 620497632 /nfs/dbraw/zinc/49/76/32/620497632.db2.gz LGRMIWPEMLNXDX-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)NCc2csc(N)n2)c1O ZINC000902501006 621347667 /nfs/dbraw/zinc/34/76/67/621347667.db2.gz ZEDQEDCLQITTKP-QMMMGPOBSA-N 0 1 297.811 3.244 20 10 CGCDMN Cc1ccc([C@H](C)N[C@H](c2ncccn2)C2CC2)c(O)c1 ZINC000903326410 621700438 /nfs/dbraw/zinc/70/04/38/621700438.db2.gz LQNJEZVSOGMJOT-LRDDRELGSA-N 0 1 283.375 3.293 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cn(C)cn1)c1cc(Cl)ccc1[O-] ZINC000903353216 621710452 /nfs/dbraw/zinc/71/04/52/621710452.db2.gz ZSQFVAZLJPXCSA-CYBMUJFWSA-N 0 1 279.771 3.020 20 10 CGCDMN Oc1c(Cl)cc(Cl)cc1CNc1ccon1 ZINC000083431166 625518938 /nfs/dbraw/zinc/51/89/38/625518938.db2.gz NNZHLMFKIRWKSS-UHFFFAOYSA-N 0 1 259.092 3.299 20 10 CGCDMN CC[C@H](CCO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168794945 623015533 /nfs/dbraw/zinc/01/55/33/623015533.db2.gz DZFTWMOQTNULBP-GXTWGEPZSA-N 0 1 273.376 3.357 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000827506874 623465293 /nfs/dbraw/zinc/46/52/93/623465293.db2.gz NBQONQCNNFPDDQ-QWRGUYRKSA-N 0 1 251.757 3.196 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000827506874 623465298 /nfs/dbraw/zinc/46/52/98/623465298.db2.gz NBQONQCNNFPDDQ-QWRGUYRKSA-N 0 1 251.757 3.196 20 10 CGCDMN Cc1cnc(C(C)(C)NCc2cccc(C)c2O)s1 ZINC000182552810 625010474 /nfs/dbraw/zinc/01/04/74/625010474.db2.gz ZQCXNIRWFOHURF-UHFFFAOYSA-N 0 1 276.405 3.490 20 10 CGCDMN C[C@@H]([NH2+]CCCOC(F)F)c1cc(Cl)ccc1[O-] ZINC000194033633 625152861 /nfs/dbraw/zinc/15/28/61/625152861.db2.gz ZLIZRCJNAAFHCU-MRVPVSSYSA-N 0 1 279.714 3.326 20 10 CGCDMN Cc1ccc(CNCc2ccc3c(c2)CCCO3)o1 ZINC000922308108 625995635 /nfs/dbraw/zinc/99/56/35/625995635.db2.gz MNWHGVZUPJCFCE-UHFFFAOYSA-N 0 1 257.333 3.203 20 10 CGCDMN C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCCCO1 ZINC000922816235 626050561 /nfs/dbraw/zinc/05/05/61/626050561.db2.gz HUXDKPDINRZJOM-CQSZACIVSA-N 0 1 269.772 3.094 20 10 CGCDMN C[C@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccn(C)n1 ZINC000840814969 626247108 /nfs/dbraw/zinc/24/71/08/626247108.db2.gz AOGNRKKPMNZCLF-NRUUGDAUSA-N 0 1 289.354 3.164 20 10 CGCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C ZINC000751930828 626412270 /nfs/dbraw/zinc/41/22/70/626412270.db2.gz UXDCTYAQDLZEQA-TXEJJXNPSA-N 0 1 256.349 3.028 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C ZINC000751930828 626412272 /nfs/dbraw/zinc/41/22/72/626412272.db2.gz UXDCTYAQDLZEQA-TXEJJXNPSA-N 0 1 256.349 3.028 20 10 CGCDMN CCc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])[nH]n1 ZINC000756570340 626716291 /nfs/dbraw/zinc/71/62/91/626716291.db2.gz AQXVQRYJNCLLEC-SECBINFHSA-N 0 1 279.771 3.182 20 10 CGCDMN CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756576803 626717739 /nfs/dbraw/zinc/71/77/39/626717739.db2.gz PARDEROACAMPFW-RWSFTLGLSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc2ccccc2c1[O-] ZINC000756770632 626730594 /nfs/dbraw/zinc/73/05/94/626730594.db2.gz YSVZKQCODLHEMR-WFASDCNBSA-N 0 1 285.387 3.357 20 10 CGCDMN COCC1([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000756849770 626737236 /nfs/dbraw/zinc/73/72/36/626737236.db2.gz DXMDQFFDPJEPGM-LBPRGKRZSA-N 0 1 271.360 3.375 20 10 CGCDMN CSCCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000124935010 634533837 /nfs/dbraw/zinc/53/38/37/634533837.db2.gz UGAYBCHYQPGECX-UHFFFAOYSA-N 0 1 259.802 3.278 20 10 CGCDMN CCC[N@@H+](CCN(CC)CC)Cc1cccc(F)c1[O-] ZINC000764678938 627218267 /nfs/dbraw/zinc/21/82/67/627218267.db2.gz VVHSKSIVRXHXPL-UHFFFAOYSA-N 0 1 282.403 3.085 20 10 CGCDMN c1[nH]nc2c1CCC[C@@H]2NCc1ccc(N2CCCC2)cc1 ZINC000765280958 627244963 /nfs/dbraw/zinc/24/49/63/627244963.db2.gz MZTNEPFGOVBHPI-KRWDZBQOSA-N 0 1 296.418 3.177 20 10 CGCDMN C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C ZINC000766375150 627324079 /nfs/dbraw/zinc/32/40/79/627324079.db2.gz RMJZWWZWNZJPLE-QWHCGFSZSA-N 0 1 270.376 3.418 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1C ZINC000766375150 627324082 /nfs/dbraw/zinc/32/40/82/627324082.db2.gz RMJZWWZWNZJPLE-QWHCGFSZSA-N 0 1 270.376 3.418 20 10 CGCDMN COc1cccc(O)c1CN(Cc1ccc(C)o1)C1CC1 ZINC000768264443 627471881 /nfs/dbraw/zinc/47/18/81/627471881.db2.gz PERIGWAASYIPLY-UHFFFAOYSA-N 0 1 287.359 3.467 20 10 CGCDMN CCn1cc(CN(C)Cc2cc3c(cc2O)CCCC3)cn1 ZINC000768447123 627480821 /nfs/dbraw/zinc/48/08/21/627480821.db2.gz MLSIZVUFGRMBQL-UHFFFAOYSA-N 0 1 299.418 3.119 20 10 CGCDMN CCN(CC)c1ccc(CN2C[C@@H](C)OC[C@H]2C)cc1 ZINC000768537118 627485167 /nfs/dbraw/zinc/48/51/67/627485167.db2.gz MNGXCONBYSOTOP-HUUCEWRRSA-N 0 1 276.424 3.142 20 10 CGCDMN COCC[N@@H+](Cc1c(O)cccc1Cl)C1CCCC1 ZINC000768582202 627487975 /nfs/dbraw/zinc/48/79/75/627487975.db2.gz QZROYOAWYQBFFF-UHFFFAOYSA-N 0 1 283.799 3.437 20 10 CGCDMN COCC[N@H+](Cc1c([O-])cccc1Cl)C1CCCC1 ZINC000768582202 627487977 /nfs/dbraw/zinc/48/79/77/627487977.db2.gz QZROYOAWYQBFFF-UHFFFAOYSA-N 0 1 283.799 3.437 20 10 CGCDMN COCC[N@@H+](Cc1c([O-])cccc1Cl)C1CCCC1 ZINC000768582202 627487979 /nfs/dbraw/zinc/48/79/79/627487979.db2.gz QZROYOAWYQBFFF-UHFFFAOYSA-N 0 1 283.799 3.437 20 10 CGCDMN CCOc1ccc(CN2CCOc3ccccc3C2)c(O)c1 ZINC000768940969 627510798 /nfs/dbraw/zinc/51/07/98/627510798.db2.gz NGXPWIRCVCMHGN-UHFFFAOYSA-N 0 1 299.370 3.186 20 10 CGCDMN CCOc1ccc(CN2Cc3ccccc3C2)c(O)c1 ZINC000769337484 627543458 /nfs/dbraw/zinc/54/34/58/627543458.db2.gz JKASIIWXFWUYBS-UHFFFAOYSA-N 0 1 269.344 3.307 20 10 CGCDMN CCOc1ccc(C[N@H+]2CCOC[C@@H]2CC(C)C)c(O)c1 ZINC000769399375 627548442 /nfs/dbraw/zinc/54/84/42/627548442.db2.gz PQLZYNJGYURZHK-HNNXBMFYSA-N 0 1 293.407 3.038 20 10 CGCDMN CCOc1ccc(CN2CCOC[C@@H]2CC(C)C)c(O)c1 ZINC000769399375 627548444 /nfs/dbraw/zinc/54/84/44/627548444.db2.gz PQLZYNJGYURZHK-HNNXBMFYSA-N 0 1 293.407 3.038 20 10 CGCDMN C[C@H](NCc1cccc(F)n1)c1ccc(N(C)C)cc1 ZINC000773087429 627854280 /nfs/dbraw/zinc/85/42/80/627854280.db2.gz LTWHKFUDSIEFIH-LBPRGKRZSA-N 0 1 273.355 3.138 20 10 CGCDMN CCCCn1cc(CNCc2ccc3c(c2)CCO3)c(C)n1 ZINC000773411283 627881313 /nfs/dbraw/zinc/88/13/13/627881313.db2.gz YVUKAJBGURGUCV-UHFFFAOYSA-N 0 1 299.418 3.216 20 10 CGCDMN CC[C@@H]([NH2+]CCc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000775491775 628100195 /nfs/dbraw/zinc/10/01/95/628100195.db2.gz JHCDDOXMIOSKRR-CQSZACIVSA-N 0 1 293.798 3.063 20 10 CGCDMN CC[C@@H]([NH2+]C[C@](C)(O)CC)c1cc(Cl)ccc1[O-] ZINC000775502849 628101987 /nfs/dbraw/zinc/10/19/87/628101987.db2.gz WLBYEGKZGLIZMR-TZMCWYRMSA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@H]([NH2+]CC1(O)CCCC1)c1cc(Cl)ccc1[O-] ZINC000775503943 628102045 /nfs/dbraw/zinc/10/20/45/628102045.db2.gz QSFIEOBLEDCWSA-ZDUSSCGKSA-N 0 1 283.799 3.391 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](C)CCO)c1cc(Cl)ccc1[O-] ZINC000775514327 628102351 /nfs/dbraw/zinc/10/23/51/628102351.db2.gz ZACPOGKAOZSIGX-MFKMUULPSA-N 0 1 271.788 3.105 20 10 CGCDMN CC[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775513667 628102523 /nfs/dbraw/zinc/10/25/23/628102523.db2.gz RSKFEPDQYRCNMJ-DOMZBBRYSA-N 0 1 296.842 3.428 20 10 CGCDMN CC[C@@H]1CO[C@H](C)CN1Cc1cc(Cl)cc(F)c1O ZINC000775641487 628118410 /nfs/dbraw/zinc/11/84/10/628118410.db2.gz AYWGHHDPFCVJFD-BXKDBHETSA-N 0 1 287.762 3.184 20 10 CGCDMN C[N@@H+](Cc1ccoc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775663587 628122128 /nfs/dbraw/zinc/12/21/28/628122128.db2.gz OQSKNPQVNVLXFC-UHFFFAOYSA-N 0 1 269.703 3.410 20 10 CGCDMN CCN(CC)c1ccc(CN2CCO[C@@H](C3CC3)C2)cc1 ZINC000777222412 628256824 /nfs/dbraw/zinc/25/68/24/628256824.db2.gz SCQICZZHITVPEK-GOSISDBHSA-N 0 1 288.435 3.144 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cc(Cl)ccc1[O-] ZINC000779063579 628385993 /nfs/dbraw/zinc/38/59/93/628385993.db2.gz HBYYUXJYUIAHFQ-IACUBPJLSA-N 0 1 283.799 3.246 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1O ZINC000779432241 628413406 /nfs/dbraw/zinc/41/34/06/628413406.db2.gz PQLMPRHVHGSJDG-HIFRSBDPSA-N 0 1 297.826 3.275 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1O ZINC000779432241 628413408 /nfs/dbraw/zinc/41/34/08/628413408.db2.gz PQLMPRHVHGSJDG-HIFRSBDPSA-N 0 1 297.826 3.275 20 10 CGCDMN Cc1nccnc1[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000783294265 628700284 /nfs/dbraw/zinc/70/02/84/628700284.db2.gz IWYASSDZHZDYGM-OCCSQVGLSA-N 0 1 284.407 3.263 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000783603209 628730862 /nfs/dbraw/zinc/73/08/62/628730862.db2.gz MSEPUEQWTFIUOL-LBPRGKRZSA-N 0 1 287.762 3.186 20 10 CGCDMN C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000785988326 628905857 /nfs/dbraw/zinc/90/58/57/628905857.db2.gz LDHGCYRJTZTLAG-UHIISALHSA-N 0 1 283.799 3.027 20 10 CGCDMN C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000785988326 628905860 /nfs/dbraw/zinc/90/58/60/628905860.db2.gz LDHGCYRJTZTLAG-UHIISALHSA-N 0 1 283.799 3.027 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1C ZINC000792164707 629341621 /nfs/dbraw/zinc/34/16/21/629341621.db2.gz CGCZBJPPKAVGSI-DTORHVGOSA-N 0 1 257.736 3.273 20 10 CGCDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792166869 629342155 /nfs/dbraw/zinc/34/21/55/629342155.db2.gz UVEWYSSFBCZNIK-BDAKNGLRSA-N 0 1 257.736 3.415 20 10 CGCDMN CCO[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792161843 629342836 /nfs/dbraw/zinc/34/28/36/629342836.db2.gz JVYPHYHJIFYEFJ-JTQLQIEISA-N 0 1 287.762 3.186 20 10 CGCDMN CC[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@H]1CCCO1 ZINC000792167456 629343279 /nfs/dbraw/zinc/34/32/79/629343279.db2.gz TVPDMEOAYRSTEB-SNVBAGLBSA-N 0 1 287.762 3.186 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1Cl ZINC000862516884 629390267 /nfs/dbraw/zinc/39/02/67/629390267.db2.gz ANIUTYZCCZROFV-LMCGPQHNSA-N 0 1 283.799 3.256 20 10 CGCDMN CC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837855 630600348 /nfs/dbraw/zinc/60/03/48/630600348.db2.gz FGWVHCLPPVNUMO-UHFFFAOYSA-N 0 1 276.163 3.361 20 10 CGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1CC=CC1 ZINC000807837431 630600500 /nfs/dbraw/zinc/60/05/00/630600500.db2.gz PTULLQWRLYJNGU-UHFFFAOYSA-N 0 1 286.158 3.281 20 10 CGCDMN CCCCN(C)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000808454702 630646977 /nfs/dbraw/zinc/64/69/77/630646977.db2.gz NZEBHDGBUJCESA-LBPRGKRZSA-N 0 1 284.831 3.256 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)CCO)c1[O-] ZINC000808698408 630666627 /nfs/dbraw/zinc/66/66/27/630666627.db2.gz OVTCDBVKWBWUTH-GXSJLCMTSA-N 0 1 271.788 3.023 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CCO)CC2)c1[O-] ZINC000808715711 630669949 /nfs/dbraw/zinc/66/99/49/630669949.db2.gz NQSSMJIXXIRKIM-NSHDSACASA-N 0 1 283.799 3.167 20 10 CGCDMN CN(C)c1ccc(CN2CCOC[C@@H]2CC2CCC2)cc1 ZINC000815293095 631755026 /nfs/dbraw/zinc/75/50/26/631755026.db2.gz WTVIMUBLMZLGRM-SFHVURJKSA-N 0 1 288.435 3.144 20 10 CGCDMN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Cl)c(F)cc1O ZINC000816481214 631988131 /nfs/dbraw/zinc/98/81/31/631988131.db2.gz MWHVMLUXRTYHIG-GXSJLCMTSA-N 0 1 287.762 3.184 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCCO1 ZINC000816496099 631994576 /nfs/dbraw/zinc/99/45/76/631994576.db2.gz WIZGHXQCBMACFY-LLVKDONJSA-N 0 1 287.762 3.186 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCCO1 ZINC000816502597 631995664 /nfs/dbraw/zinc/99/56/64/631995664.db2.gz IRBHDYQHOUGBIH-CYBMUJFWSA-N 0 1 271.360 3.156 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCCO1 ZINC000816502597 631995671 /nfs/dbraw/zinc/99/56/71/631995671.db2.gz IRBHDYQHOUGBIH-CYBMUJFWSA-N 0 1 271.360 3.156 20 10 CGCDMN C[C@H]1CCCN(CC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816535457 632005597 /nfs/dbraw/zinc/00/55/97/632005597.db2.gz PCMUTSLRSGTWCB-HNNXBMFYSA-N 0 1 298.430 3.367 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@H]2CCCC[C@@H]2O)ccc2ccccc21 ZINC000816552315 632008680 /nfs/dbraw/zinc/00/86/80/632008680.db2.gz IIMFTTJWDURZRJ-PBHICJAKSA-N 0 1 285.387 3.186 20 10 CGCDMN [O-]c1c(C[NH2+]CCOC2CCC2)ccc2ccccc21 ZINC000816554766 632009743 /nfs/dbraw/zinc/00/97/43/632009743.db2.gz IPDSLKBVSRUMJS-UHFFFAOYSA-N 0 1 271.360 3.204 20 10 CGCDMN C[C@@H]1CCCN1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816563213 632012709 /nfs/dbraw/zinc/01/27/09/632012709.db2.gz ODVDUJUCBSFINC-CQSZACIVSA-N 0 1 284.403 3.119 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000816569409 632015648 /nfs/dbraw/zinc/01/56/48/632015648.db2.gz KMUYTKUCFXGEAH-UHFFFAOYSA-N 0 1 299.773 3.187 20 10 CGCDMN Cc1cc(Br)cc(CN2C[C@@H](C)[C@@H]2C)c1O ZINC000816649145 632037365 /nfs/dbraw/zinc/03/73/65/632037365.db2.gz UXEJVHGBRYHYJZ-ZJUUUORDSA-N 0 1 284.197 3.303 20 10 CGCDMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000817414852 632145172 /nfs/dbraw/zinc/14/51/72/632145172.db2.gz PFJQJKBHNKQYJI-LDYMZIIASA-N 0 1 290.190 3.044 20 10 CGCDMN C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965641 632260178 /nfs/dbraw/zinc/26/01/78/632260178.db2.gz YTWZJOWTVSDJJJ-MRVPVSSYSA-N 0 1 289.206 3.231 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1ccc(Cl)c(Cl)c1[O-] ZINC000817978254 632268912 /nfs/dbraw/zinc/26/89/12/632268912.db2.gz YZTQWZIVWJXMPQ-XLDPMVHQSA-N 0 1 291.222 3.475 20 10 CGCDMN COc1cccc(CN[C@@H]2C[C@@]2(F)c2ccccc2)c1O ZINC000818231078 632300328 /nfs/dbraw/zinc/30/03/28/632300328.db2.gz UUGWTXQLWOWSMK-NVXWUHKLSA-N 0 1 287.334 3.128 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000865777688 632887579 /nfs/dbraw/zinc/88/75/79/632887579.db2.gz AKSAYXWMLWCNIN-GFCCVEGCSA-N 0 1 295.810 3.342 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865785671 632890386 /nfs/dbraw/zinc/89/03/86/632890386.db2.gz XSNRLCXJVSDPRA-WFASDCNBSA-N 0 1 295.810 3.198 20 10 CGCDMN C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000866446705 633136639 /nfs/dbraw/zinc/13/66/39/633136639.db2.gz GSLHQMVYGYDHOC-QYTUQVAYSA-N 0 1 269.772 3.262 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)c2ccccc2)cc1Cl ZINC000825051228 633322971 /nfs/dbraw/zinc/32/29/71/633322971.db2.gz YPVDVZNORQRGTE-INIZCTEOSA-N 0 1 291.778 3.177 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1Cl ZINC000825338058 633347111 /nfs/dbraw/zinc/34/71/11/633347111.db2.gz RLSYRNGJYPBXLH-XNRPHZJLSA-N 0 1 295.810 3.401 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cc1Cl ZINC000825354742 633348722 /nfs/dbraw/zinc/34/87/22/633348722.db2.gz YUTUYHJIHCMULX-AAEUAGOBSA-N 0 1 294.826 3.069 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@]2(C)CCO[C@H]2C)cc1Cl ZINC000825494397 633357462 /nfs/dbraw/zinc/35/74/62/633357462.db2.gz KZGYYBYKCJZOMT-HZMBPMFUSA-N 0 1 269.772 3.011 20 10 CGCDMN CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825501488 633358211 /nfs/dbraw/zinc/35/82/11/633358211.db2.gz QBKYUAZNNPRZKH-MNOVXSKESA-N 0 1 299.798 3.031 20 10 CGCDMN CC[C@@]1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCOC1 ZINC000825685773 633374421 /nfs/dbraw/zinc/37/44/21/633374421.db2.gz LZBPMOAIFHRENH-CQSZACIVSA-N 0 1 269.772 3.013 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cc1Cl ZINC000826122081 633406730 /nfs/dbraw/zinc/40/67/30/633406730.db2.gz XNRLGEIWZIGORI-SRVKXCTJSA-N 0 1 283.799 3.257 20 10 CGCDMN COCC1(C2CCC2)C[NH+](Cc2cc(Cl)ccc2[O-])C1 ZINC000827011730 633448238 /nfs/dbraw/zinc/44/82/38/633448238.db2.gz NHSZILZEJGAUKF-UHFFFAOYSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1c(C[NH2+]CCO[C@H]2CC2(F)F)ccc2ccccc21 ZINC000827073262 633455314 /nfs/dbraw/zinc/45/53/14/633455314.db2.gz RGCKFCIMXLUGFX-AWEZNQCLSA-N 0 1 293.313 3.059 20 10 CGCDMN C[C@H](O)[C@@H]([NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000827856836 633524983 /nfs/dbraw/zinc/52/49/83/633524983.db2.gz TWUSSYXFZPEWCI-MEDUHNTESA-N 0 1 291.778 3.257 20 10 CGCDMN CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000846184686 636155657 /nfs/dbraw/zinc/15/56/57/636155657.db2.gz QMDJQUDKTDGCEI-MJVIPROJSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@@H](N[C@H]1CCn2ccnc21)c1cc(Cl)ccc1O ZINC000834830652 634250745 /nfs/dbraw/zinc/25/07/45/634250745.db2.gz FZZPUMRHCLPGFH-SKDRFNHKSA-N 0 1 277.755 3.038 20 10 CGCDMN CC[C@@H](N[C@@H]1CCn2ccnc21)c1ccc(N(C)C)cc1 ZINC000834835291 634252766 /nfs/dbraw/zinc/25/27/66/634252766.db2.gz HDPCXFLVLLIRLU-HZPDHXFCSA-N 0 1 284.407 3.135 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873155888 634264319 /nfs/dbraw/zinc/26/43/19/634264319.db2.gz HYWGYXGAYZLECB-JRPNMDOOSA-N 0 1 281.783 3.093 20 10 CGCDMN CCc1nc(CN[C@H](C)c2c(C)cc(C)cc2O)co1 ZINC000834896842 634273313 /nfs/dbraw/zinc/27/33/13/634273313.db2.gz CZCLYLJYMXCRGM-GFCCVEGCSA-N 0 1 274.364 3.410 20 10 CGCDMN CN(C)c1ccc(/C=C\CN2CCOC3(CCC3)C2)cc1 ZINC000835026524 634325650 /nfs/dbraw/zinc/32/56/50/634325650.db2.gz UGPWAPVXJWKWSU-HYXAFXHYSA-N 0 1 286.419 3.021 20 10 CGCDMN CC1(C)C[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000835059533 634340909 /nfs/dbraw/zinc/34/09/09/634340909.db2.gz IRHAISVNCRZWRU-LLVKDONJSA-N 0 1 283.799 3.340 20 10 CGCDMN Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2[O-])on1 ZINC000876617782 634868933 /nfs/dbraw/zinc/86/89/33/634868933.db2.gz VAAUFSHRBCCFPW-GFCCVEGCSA-N 0 1 294.301 3.304 20 10 CGCDMN Cc1cccc(O)c1CN1CCO[C@H](c2ccsc2)C1 ZINC000876778984 634897856 /nfs/dbraw/zinc/89/78/56/634897856.db2.gz UCYWIXHNIRILTN-INIZCTEOSA-N 0 1 289.400 3.336 20 10 CGCDMN CCc1cnc(CNCc2ccc(C)cc2O)s1 ZINC000877071445 634971824 /nfs/dbraw/zinc/97/18/24/634971824.db2.gz NZZJWUOFZRTJNC-UHFFFAOYSA-N 0 1 262.378 3.009 20 10 CGCDMN [O-]c1c(C[N@H+]2CCOCC3(CCCC3)C2)ccc(F)c1F ZINC000877418874 635038885 /nfs/dbraw/zinc/03/88/85/635038885.db2.gz IOHVHBUTIKDXHJ-UHFFFAOYSA-N 0 1 297.345 3.063 20 10 CGCDMN CC[C@H](C)c1nnc([C@H](C)NCc2ccc(C)cc2O)[nH]1 ZINC000877475546 635050906 /nfs/dbraw/zinc/05/09/06/635050906.db2.gz SKQUGYPYIVIQFV-RYUDHWBXSA-N 0 1 288.395 3.183 20 10 CGCDMN Cc1ccc([C@H](C)N[C@H](C)c2ccn(C)n2)c(O)c1C ZINC000840816729 635057944 /nfs/dbraw/zinc/05/79/44/635057944.db2.gz OWFAINAKSXLVDU-QWHCGFSZSA-N 0 1 273.380 3.154 20 10 CGCDMN CCn1ccc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000840840416 635062190 /nfs/dbraw/zinc/06/21/90/635062190.db2.gz KCNZOANHHSGRFH-GWCFXTLKSA-N 0 1 289.354 3.086 20 10 CGCDMN COCC1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000840879371 635072240 /nfs/dbraw/zinc/07/22/40/635072240.db2.gz FNSYJIJTTDQVKB-DCBWTQNWSA-N 0 1 281.371 3.387 20 10 CGCDMN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000877540276 635079880 /nfs/dbraw/zinc/07/98/80/635079880.db2.gz VHUIEXWCPBUDOT-GFCCVEGCSA-N 0 1 299.361 3.450 20 10 CGCDMN COCC1=CC[N@H+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840938807 635086933 /nfs/dbraw/zinc/08/69/33/635086933.db2.gz RRXPNBWESFVJGL-UHFFFAOYSA-N 0 1 281.783 3.133 20 10 CGCDMN COCC1=CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840938807 635086937 /nfs/dbraw/zinc/08/69/37/635086937.db2.gz RRXPNBWESFVJGL-UHFFFAOYSA-N 0 1 281.783 3.133 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C[C@@H]1C ZINC000840949939 635090657 /nfs/dbraw/zinc/09/06/57/635090657.db2.gz DGWOXCISJHQZDJ-NHYWBVRUSA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C[C@@H]1C ZINC000840949939 635090660 /nfs/dbraw/zinc/09/06/60/635090660.db2.gz DGWOXCISJHQZDJ-NHYWBVRUSA-N 0 1 283.799 3.211 20 10 CGCDMN COc1cccc(OC)c1CNCc1ccc(C)cc1O ZINC000877623862 635117889 /nfs/dbraw/zinc/11/78/89/635117889.db2.gz CHCSMQBHVBXBSR-UHFFFAOYSA-N 0 1 287.359 3.008 20 10 CGCDMN Oc1cccc2c1C[N@@H+](C[C@H]1CCN(c3ccccc3)C1)C2 ZINC000877702581 635153630 /nfs/dbraw/zinc/15/36/30/635153630.db2.gz CDZIJCRDUHCTQA-OAHLLOKOSA-N 0 1 294.398 3.234 20 10 CGCDMN C[C@@H](NCc1nc(Cl)cs1)c1ccccc1O ZINC000877756020 635185684 /nfs/dbraw/zinc/18/56/84/635185684.db2.gz YZCXUAFKVDXVCY-MRVPVSSYSA-N 0 1 268.769 3.353 20 10 CGCDMN COC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841750792 635225725 /nfs/dbraw/zinc/22/57/25/635225725.db2.gz JCYHVFXIQMBVAZ-TVQRCGJNSA-N 0 1 269.772 3.121 20 10 CGCDMN CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841753277 635227719 /nfs/dbraw/zinc/22/77/19/635227719.db2.gz GBDOVAREPDNBEU-ZMLRMANQSA-N 0 1 269.772 3.264 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CC2(CCC2)O1 ZINC000842641831 635425306 /nfs/dbraw/zinc/42/53/06/635425306.db2.gz XUMOEGKYHWDZGA-CYBMUJFWSA-N 0 1 298.386 3.084 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CC2(CCC2)O1 ZINC000842641831 635425317 /nfs/dbraw/zinc/42/53/17/635425317.db2.gz XUMOEGKYHWDZGA-CYBMUJFWSA-N 0 1 298.386 3.084 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCOC[C@@H]1C1CCC1 ZINC000843428277 635672379 /nfs/dbraw/zinc/67/23/79/635672379.db2.gz FOBKKXMHPBXZRB-CQSZACIVSA-N 0 1 299.773 3.186 20 10 CGCDMN CC(C)(C)n1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000846057770 636139571 /nfs/dbraw/zinc/13/95/71/636139571.db2.gz JADICQGGXJMCTR-UHFFFAOYSA-N 0 1 293.798 3.287 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846116848 636146592 /nfs/dbraw/zinc/14/65/92/636146592.db2.gz LNHUUWVAEABUQU-GFCCVEGCSA-N 0 1 291.700 3.416 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846117150 636146991 /nfs/dbraw/zinc/14/69/91/636146991.db2.gz NMBXZTCOHQEPJJ-LBPRGKRZSA-N 0 1 273.710 3.277 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846117150 636146995 /nfs/dbraw/zinc/14/69/95/636146995.db2.gz NMBXZTCOHQEPJJ-LBPRGKRZSA-N 0 1 273.710 3.277 20 10 CGCDMN CC(C)c1c[nH]c(CN[C@H](C)c2ccccc2O)n1 ZINC000883225087 636596607 /nfs/dbraw/zinc/59/66/07/636596607.db2.gz ZIMWHDNAQCZMRW-LLVKDONJSA-N 0 1 259.353 3.090 20 10 CGCDMN CN(C)c1ccc(CNCc2cccc(F)c2F)cc1F ZINC000107712311 636615674 /nfs/dbraw/zinc/61/56/74/636615674.db2.gz INDASXVRCGKMRR-UHFFFAOYSA-N 0 1 294.320 3.460 20 10 CGCDMN CCc1cccc(CNCc2cc(F)cnc2Cl)c1O ZINC000848913771 636688771 /nfs/dbraw/zinc/68/87/71/636688771.db2.gz DPZSIYDIMKWDNX-UHFFFAOYSA-N 0 1 294.757 3.432 20 10 CGCDMN Cc1noc([C@H](C)N(C)Cc2cc(Cl)cc(F)c2O)n1 ZINC000848926003 636698941 /nfs/dbraw/zinc/69/89/41/636698941.db2.gz PAKFHXJHAWDRQM-ZETCQYMHSA-N 0 1 299.733 3.069 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCC2(COC2)CC1 ZINC000883391584 636735474 /nfs/dbraw/zinc/73/54/74/636735474.db2.gz NXTFAOWVBLULPF-UHFFFAOYSA-N 0 1 281.783 3.094 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cccc(Br)c2[O-])C[C@H]1C ZINC000132754537 636835311 /nfs/dbraw/zinc/83/53/11/636835311.db2.gz FGHPRFFTCNSTON-AOOOYVTPSA-N 0 1 284.197 3.243 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850372104 637034772 /nfs/dbraw/zinc/03/47/72/637034772.db2.gz PXNFHIHSEURHLK-GOEBONIOSA-N 0 1 289.762 3.314 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850372105 637035319 /nfs/dbraw/zinc/03/53/19/637035319.db2.gz PXNFHIHSEURHLK-HOCLYGCPSA-N 0 1 289.762 3.314 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(Br)cc1[O-] ZINC000134915380 637049401 /nfs/dbraw/zinc/04/94/01/637049401.db2.gz GZMRRGFGVLBUGR-LPEHRKFASA-N 0 1 284.197 3.461 20 10 CGCDMN Cc1cnc([C@@H](C)NCc2cc(C)ccc2O)s1 ZINC000134912168 637050287 /nfs/dbraw/zinc/05/02/87/637050287.db2.gz ZDSYDXJREGJSMO-LLVKDONJSA-N 0 1 262.378 3.316 20 10 CGCDMN C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(Cl)cc1[O-] ZINC000850481965 637086181 /nfs/dbraw/zinc/08/61/81/637086181.db2.gz LMDIHMMHVCLDLD-GXSJLCMTSA-N 0 1 269.772 3.264 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(Cl)ccc1[O-] ZINC000850515639 637099499 /nfs/dbraw/zinc/09/94/99/637099499.db2.gz MRNJDPZWCRRPFY-GXFFZTMASA-N 0 1 283.799 3.247 20 10 CGCDMN C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(Cl)cc1[O-] ZINC000850524419 637103369 /nfs/dbraw/zinc/10/33/69/637103369.db2.gz YDXFQCRRKFKGTM-ZYHUDNBSSA-N 0 1 281.783 3.408 20 10 CGCDMN C[C@H](NCc1cc(C2CC2)no1)c1ccc(N(C)C)cc1 ZINC000851952178 637557968 /nfs/dbraw/zinc/55/79/68/637557968.db2.gz URLOQPPSRUNGPQ-LBPRGKRZSA-N 0 1 285.391 3.469 20 10 CGCDMN CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC000852555105 637678917 /nfs/dbraw/zinc/67/89/17/637678917.db2.gz JKUSDOJOKBZMIN-AWEZNQCLSA-N 0 1 265.328 3.012 20 10 CGCDMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000853543779 637865534 /nfs/dbraw/zinc/86/55/34/637865534.db2.gz JUYKVCTULOVEGT-KDURUIRLSA-N 0 1 297.398 3.404 20 10 CGCDMN Cc1cc(N(C)C)ccc1CNCc1ccncc1Cl ZINC000858139126 638640979 /nfs/dbraw/zinc/64/09/79/638640979.db2.gz OVELFFRYQYXPCN-UHFFFAOYSA-N 0 1 289.810 3.399 20 10 CGCDMN CSCc1cnc(CNCc2cc(C)ccc2O)s1 ZINC000858239156 638661926 /nfs/dbraw/zinc/66/19/26/638661926.db2.gz KHDQXFPLOAWREO-UHFFFAOYSA-N 0 1 294.445 3.310 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(Cl)nc1 ZINC000036387993 639358509 /nfs/dbraw/zinc/35/85/09/639358509.db2.gz IPZRIXWTEDMSMG-UHFFFAOYSA-N 0 1 283.158 3.384 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C)C2)c1[O-] ZINC000040719056 639896563 /nfs/dbraw/zinc/89/65/63/639896563.db2.gz QRYLSSYQWGRCNR-SECBINFHSA-N 0 1 267.756 3.090 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)C2)c1[O-] ZINC000040719056 639896571 /nfs/dbraw/zinc/89/65/71/639896571.db2.gz QRYLSSYQWGRCNR-SECBINFHSA-N 0 1 267.756 3.090 20 10 CGCDMN CCc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1C ZINC001161021662 806337160 /nfs/dbraw/zinc/33/71/60/806337160.db2.gz XDTLLMJYTZREEW-UHFFFAOYSA-N 0 1 289.306 3.360 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C)c1[O-] ZINC000037911479 798879033 /nfs/dbraw/zinc/87/90/33/798879033.db2.gz VVGUDXAPJXGXOK-VIFPVBQESA-N 0 1 267.756 3.233 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C)c1[O-] ZINC000037911479 798879040 /nfs/dbraw/zinc/87/90/40/798879040.db2.gz VVGUDXAPJXGXOK-VIFPVBQESA-N 0 1 267.756 3.233 20 10 CGCDMN C[C@H](CC(F)(F)F)N1CCCc2cc(O)c(O)cc2C1 ZINC001255663084 806698193 /nfs/dbraw/zinc/69/81/93/806698193.db2.gz XVXFQKLPKCEDQB-SECBINFHSA-N 0 1 289.297 3.187 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)[C@@H](C)C1 ZINC000305919986 799213723 /nfs/dbraw/zinc/21/37/23/799213723.db2.gz GWLMSQZFKRWJNH-WDEREUQCSA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)[C@@H](C)C1 ZINC000305919986 799213728 /nfs/dbraw/zinc/21/37/28/799213728.db2.gz GWLMSQZFKRWJNH-WDEREUQCSA-N 0 1 269.772 3.045 20 10 CGCDMN C[C@H]([NH2+]CCc1cncn1C)c1ccc2ccccc2c1[O-] ZINC000401778255 799557077 /nfs/dbraw/zinc/55/70/77/799557077.db2.gz OPYDIDQCICATSO-ZDUSSCGKSA-N 0 1 295.386 3.172 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403788367 799571030 /nfs/dbraw/zinc/57/10/30/799571030.db2.gz ZVPUAJUSWWKCLB-OUJBWJOFSA-N 0 1 296.208 3.433 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(CCO)CCCCC1 ZINC000687283011 799738310 /nfs/dbraw/zinc/73/83/10/799738310.db2.gz VZXSWVHEKBGQSC-UHFFFAOYSA-N 0 1 283.799 3.221 20 10 CGCDMN CC1(C[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000691394144 799783746 /nfs/dbraw/zinc/78/37/46/799783746.db2.gz ATADCADCXOURTR-UHFFFAOYSA-N 0 1 270.170 3.044 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+]CC1(C2CC2)CC1 ZINC000691476807 799783890 /nfs/dbraw/zinc/78/38/90/799783890.db2.gz NRQLIEBLJKDPKO-UHFFFAOYSA-N 0 1 296.208 3.435 20 10 CGCDMN CCc1cccc(CNCc2nc(C)cs2)c1O ZINC000691492621 799785013 /nfs/dbraw/zinc/78/50/13/799785013.db2.gz HKWSPOZZKHUDJJ-UHFFFAOYSA-N 0 1 262.378 3.009 20 10 CGCDMN CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000693866749 799815857 /nfs/dbraw/zinc/81/58/57/799815857.db2.gz IFEBPJZOIIONTC-ZDUSSCGKSA-N 0 1 282.815 3.008 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCSCC(F)(F)F ZINC000698947434 799857427 /nfs/dbraw/zinc/85/74/27/799857427.db2.gz TVHACELLAZOPCR-UHFFFAOYSA-N 0 1 299.745 3.431 20 10 CGCDMN CC(C)O[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000701717410 799893088 /nfs/dbraw/zinc/89/30/88/799893088.db2.gz AGFDNTLGKGUUHI-ZDUSSCGKSA-N 0 1 269.772 3.045 20 10 CGCDMN CC(C)O[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000701717410 799893095 /nfs/dbraw/zinc/89/30/95/799893095.db2.gz AGFDNTLGKGUUHI-ZDUSSCGKSA-N 0 1 269.772 3.045 20 10 CGCDMN CC1(C)C[C@]1(C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000702031156 799902478 /nfs/dbraw/zinc/90/24/78/799902478.db2.gz VPROHLIHUVFPPN-ZDUSSCGKSA-N 0 1 284.197 3.433 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@](CO)(C(C)C)C2)cc1Cl ZINC001118577347 802585694 /nfs/dbraw/zinc/58/56/94/802585694.db2.gz DJSBMVGOEOTQKT-INIZCTEOSA-N 0 1 297.826 3.194 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@](CO)(C(C)C)C2)cc1Cl ZINC001118577347 802585701 /nfs/dbraw/zinc/58/57/01/802585701.db2.gz DJSBMVGOEOTQKT-INIZCTEOSA-N 0 1 297.826 3.194 20 10 CGCDMN CCOc1cccc(CN(C)Cc2ccc(C)nc2)c1O ZINC001203615317 812406489 /nfs/dbraw/zinc/40/64/89/812406489.db2.gz QMCPROCLLCMIMH-UHFFFAOYSA-N 0 1 286.375 3.126 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2cncc(Cl)c2)cc1 ZINC001136997568 803668777 /nfs/dbraw/zinc/66/87/77/803668777.db2.gz FMFRTCXBBIVONK-UHFFFAOYSA-N 0 1 289.810 3.433 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001137831628 803778505 /nfs/dbraw/zinc/77/85/05/803778505.db2.gz HZGBTRVFXHOUIB-HNNXBMFYSA-N 0 1 272.323 3.263 20 10 CGCDMN Cc1cccc2c1C[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC001138122616 803862228 /nfs/dbraw/zinc/86/22/28/803862228.db2.gz PYHWJRWBESSECF-UHFFFAOYSA-N 0 1 257.308 3.356 20 10 CGCDMN Cc1c(CN2CCc3cnccc3C2)c2ccccc2n1C ZINC001138252485 803879514 /nfs/dbraw/zinc/87/95/14/803879514.db2.gz INQRPCDKOOGTOZ-UHFFFAOYSA-N 0 1 291.398 3.440 20 10 CGCDMN Cc1c(CN2CCCC(=O)CC2)c2ccccc2n1C ZINC001138253788 803881649 /nfs/dbraw/zinc/88/16/49/803881649.db2.gz GQGDVECXXYGZHW-UHFFFAOYSA-N 0 1 270.376 3.042 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCc2sccc2C1 ZINC001139681356 804250652 /nfs/dbraw/zinc/25/06/52/804250652.db2.gz OVKNTBYKBWFYPO-UHFFFAOYSA-N 0 1 281.327 3.290 20 10 CGCDMN C[N@@H+](Cc1ccsc1)Cc1c(F)ccc(F)c1[O-] ZINC001139682932 804251779 /nfs/dbraw/zinc/25/17/79/804251779.db2.gz FRJFOBNQZOQACP-UHFFFAOYSA-N 0 1 269.316 3.364 20 10 CGCDMN Cc1cccc2c1C[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139685870 804252072 /nfs/dbraw/zinc/25/20/72/804252072.db2.gz ZLOYYCLVZAUXPV-UHFFFAOYSA-N 0 1 275.298 3.495 20 10 CGCDMN Cc1cccc2c1C[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139685870 804252099 /nfs/dbraw/zinc/25/20/99/804252099.db2.gz ZLOYYCLVZAUXPV-UHFFFAOYSA-N 0 1 275.298 3.495 20 10 CGCDMN C[C@@H]1CCCCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139683102 804252385 /nfs/dbraw/zinc/25/23/85/804252385.db2.gz GFWPKIZEOFPRKO-SNVBAGLBSA-N 0 1 255.308 3.435 20 10 CGCDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686426 804254271 /nfs/dbraw/zinc/25/42/71/804254271.db2.gz ZCIRSDVEBGNEJX-AOOOYVTPSA-N 0 1 255.308 3.148 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001140467576 804442972 /nfs/dbraw/zinc/44/29/72/804442972.db2.gz YGRGNZXKCUDANZ-CYBMUJFWSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001140467576 804442976 /nfs/dbraw/zinc/44/29/76/804442976.db2.gz YGRGNZXKCUDANZ-CYBMUJFWSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+](CCO)Cc1cccs1 ZINC001140466700 804443229 /nfs/dbraw/zinc/44/32/29/804443229.db2.gz LGULWNMIOABOML-UHFFFAOYSA-N 0 1 297.807 3.102 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+](CCO)Cc1cccs1 ZINC001140466700 804443232 /nfs/dbraw/zinc/44/32/32/804443232.db2.gz LGULWNMIOABOML-UHFFFAOYSA-N 0 1 297.807 3.102 20 10 CGCDMN C[C@H]1CCCC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583131 804467105 /nfs/dbraw/zinc/46/71/05/804467105.db2.gz WTYJMDXIRKAPIW-JTQLQIEISA-N 0 1 255.308 3.292 20 10 CGCDMN CCO[C@@H]1CCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926747 804550931 /nfs/dbraw/zinc/55/09/31/804550931.db2.gz SYHPRGFYSPYXGN-CQSZACIVSA-N 0 1 282.815 3.017 20 10 CGCDMN Cc1ccc(CN2CCC(=O)[C@H]3CCCC[C@H]32)c(O)c1 ZINC001140948690 804556052 /nfs/dbraw/zinc/55/60/52/804556052.db2.gz VSAHRZPKCDXNCT-LSDHHAIUSA-N 0 1 273.376 3.034 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CCC[C@](C)(F)CC2)c(OC)c1 ZINC001141032127 804575062 /nfs/dbraw/zinc/57/50/62/804575062.db2.gz TYZONXSPBBUITA-INIZCTEOSA-N 0 1 297.370 3.124 20 10 CGCDMN C[N@@H+](Cc1cccc(F)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142509043 804727943 /nfs/dbraw/zinc/72/79/43/804727943.db2.gz UZAFHEAKONRFJD-UHFFFAOYSA-N 0 1 281.277 3.442 20 10 CGCDMN CC(C)(C)c1cccc(C[N@H+]2CCOC[C@H]2C2CC2)c1O ZINC001143111988 804802890 /nfs/dbraw/zinc/80/28/90/804802890.db2.gz IPXBIPVHEOMFQQ-INIZCTEOSA-N 0 1 289.419 3.301 20 10 CGCDMN CC(C)(C)c1cccc(CN2CCOC[C@H]2C2CC2)c1O ZINC001143111988 804802895 /nfs/dbraw/zinc/80/28/95/804802895.db2.gz IPXBIPVHEOMFQQ-INIZCTEOSA-N 0 1 289.419 3.301 20 10 CGCDMN CN(Cc1ccncn1)Cc1cccc(C(C)(C)C)c1O ZINC001143116414 804803616 /nfs/dbraw/zinc/80/36/16/804803616.db2.gz ALFNXPVQOCLIKM-UHFFFAOYSA-N 0 1 285.391 3.112 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]CC(=O)c2ccc([O-])c(O)c2)CC(C)(C)C1 ZINC001258688926 807544564 /nfs/dbraw/zinc/54/45/64/807544564.db2.gz ZSJYEQOFQVSAPD-WCQYABFASA-N 0 1 291.391 3.085 20 10 CGCDMN Cc1ccc(C)n1-c1ccc(Nc2nccnc2CN)cc1 ZINC001171448302 808060888 /nfs/dbraw/zinc/06/08/88/808060888.db2.gz YTSQFVATQLXKBJ-UHFFFAOYSA-N 0 1 293.374 3.086 20 10 CGCDMN C[C@H](C[NH2+]Cc1ccc(Cl)cc1[O-])c1ccccn1 ZINC001182845426 810127806 /nfs/dbraw/zinc/12/78/06/810127806.db2.gz SKPBXBYEXJIYJO-LLVKDONJSA-N 0 1 276.767 3.334 20 10 CGCDMN CCc1cc(NC(=O)c2c(F)ccc(O)c2O)ccc1F ZINC001183415383 810148402 /nfs/dbraw/zinc/14/84/02/810148402.db2.gz KMCJUYUMPWVIGW-UHFFFAOYSA-N 0 1 293.269 3.191 20 10 CGCDMN O=C(Nc1ccsc1)c1cc(O)c(O)c(Cl)c1 ZINC001193590177 810913856 /nfs/dbraw/zinc/91/38/56/810913856.db2.gz WWTBWBUEMPKWCF-UHFFFAOYSA-N 0 1 269.709 3.065 20 10 CGCDMN CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]21 ZINC001203658415 812419377 /nfs/dbraw/zinc/41/93/77/812419377.db2.gz LMFRDRLAZBNDAW-DIOULYMOSA-N 0 1 295.810 3.293 20 10 CGCDMN CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]21 ZINC001203658415 812419379 /nfs/dbraw/zinc/41/93/79/812419379.db2.gz LMFRDRLAZBNDAW-DIOULYMOSA-N 0 1 295.810 3.293 20 10 CGCDMN Oc1ccc(Cl)cc1CN1CC2(C1)C[C@H](F)CS2 ZINC001203664181 812422008 /nfs/dbraw/zinc/42/20/08/812422008.db2.gz PXYNIRVZHYDCMN-NSHDSACASA-N 0 1 287.787 3.075 20 10 CGCDMN CCN(CC)c1ccc(CN2CCc3cccnc3C2)cc1 ZINC001203943392 812498624 /nfs/dbraw/zinc/49/86/24/812498624.db2.gz YXWXLFGBKJIVSQ-UHFFFAOYSA-N 0 1 295.430 3.486 20 10 CGCDMN CN(Cc1ccc(O)cc1O)Cc1ccccc1Cl ZINC001204275044 812595087 /nfs/dbraw/zinc/59/50/87/812595087.db2.gz MHOJPIKMMFRPER-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN Cc1ccc(F)c(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001205655717 813043795 /nfs/dbraw/zinc/04/37/95/813043795.db2.gz YNUQYWLOAWQCCT-UHFFFAOYSA-N 0 1 271.335 3.398 20 10 CGCDMN Cc1ccc(Nc2cccc(O)c2O)c2cn[nH]c21 ZINC001215758197 815579409 /nfs/dbraw/zinc/57/94/09/815579409.db2.gz JPWKIQUFQQILNQ-UHFFFAOYSA-N 0 1 255.277 3.026 20 10 CGCDMN Cc1ccc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2O)cc1 ZINC001231451678 818103276 /nfs/dbraw/zinc/10/32/76/818103276.db2.gz PLTOKFXFCMIKGL-UHFFFAOYSA-N 0 1 285.343 3.031 20 10 CGCDMN Cc1cccc(CC[N@H+](C)Cc2cc(C(=O)[O-])ccc2O)c1 ZINC001231564900 818124677 /nfs/dbraw/zinc/12/46/77/818124677.db2.gz JNYJSNXWOMXJOR-UHFFFAOYSA-N 0 1 299.370 3.073 20 10 CGCDMN COC(=O)[C@@H]1CCCCN1Cc1c(O)ccc2ccccc21 ZINC001231587321 818129393 /nfs/dbraw/zinc/12/93/93/818129393.db2.gz VLXMJXSBIFEBIU-INIZCTEOSA-N 0 1 299.370 3.073 20 10 CGCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CC[C@]1(C)O ZINC001231586702 818130163 /nfs/dbraw/zinc/13/01/63/818130163.db2.gz LACNTBVLZSMNJU-UGSOOPFHSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC[C@]1(C)O ZINC001231586702 818130165 /nfs/dbraw/zinc/13/01/65/818130165.db2.gz LACNTBVLZSMNJU-UGSOOPFHSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CC[C@]1(C)O ZINC001231586697 818130238 /nfs/dbraw/zinc/13/02/38/818130238.db2.gz LACNTBVLZSMNJU-ACJLOTCBSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CC[C@]1(C)O ZINC001231586697 818130239 /nfs/dbraw/zinc/13/02/39/818130239.db2.gz LACNTBVLZSMNJU-ACJLOTCBSA-N 0 1 285.387 3.138 20 10 CGCDMN Oc1ccc2ccccc2c1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001231590440 818130297 /nfs/dbraw/zinc/13/02/97/818130297.db2.gz AHPIPPWWDPYQGU-XEZPLFJOSA-N 0 1 271.335 3.478 20 10 CGCDMN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)ccc2ccccc21 ZINC001231879868 818198972 /nfs/dbraw/zinc/19/89/72/818198972.db2.gz SYQKWPOLFBWQLX-BPUTZDHNSA-N 0 1 271.335 3.335 20 10 CGCDMN [O-]c1c(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)ccc2ccccc21 ZINC001231879868 818198977 /nfs/dbraw/zinc/19/89/77/818198977.db2.gz SYQKWPOLFBWQLX-BPUTZDHNSA-N 0 1 271.335 3.335 20 10 CGCDMN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CCC[C@@H]1O ZINC001231879468 818199763 /nfs/dbraw/zinc/19/97/63/818199763.db2.gz DFOBDEGHGVBPCJ-GUYCJALGSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CCC[C@@H]1O ZINC001231879468 818199765 /nfs/dbraw/zinc/19/97/65/818199765.db2.gz DFOBDEGHGVBPCJ-GUYCJALGSA-N 0 1 285.387 3.138 20 10 CGCDMN [O-]c1c(C[NH+]2CC3(CSC3)C2)ccc2ccccc21 ZINC001231882316 818201268 /nfs/dbraw/zinc/20/12/68/818201268.db2.gz GOUGJUHRCXQQMA-UHFFFAOYSA-N 0 1 271.385 3.094 20 10 CGCDMN O=C1CCC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])C[C@H]12 ZINC001231883180 818201674 /nfs/dbraw/zinc/20/16/74/818201674.db2.gz HAUPDBDYVGRNKC-YOEHRIQHSA-N 0 1 295.382 3.346 20 10 CGCDMN O=C1CCC[C@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])C[C@H]12 ZINC001231883180 818201677 /nfs/dbraw/zinc/20/16/77/818201677.db2.gz HAUPDBDYVGRNKC-YOEHRIQHSA-N 0 1 295.382 3.346 20 10 CGCDMN Oc1c(Cl)cccc1CN1CC[C@@H](CF)C(F)(F)C1 ZINC001231910158 818208347 /nfs/dbraw/zinc/20/83/47/818208347.db2.gz WZQHDCVAYJLQRP-JTQLQIEISA-N 0 1 293.716 3.472 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)c([O-])cc1O)CC1CCCC1 ZINC001232262802 818297733 /nfs/dbraw/zinc/29/77/33/818297733.db2.gz QNYIXXXWEZMKKT-UHFFFAOYSA-N 0 1 269.772 3.373 20 10 CGCDMN C[N@H+](Cc1cc(Cl)c([O-])cc1O)CC1CCCC1 ZINC001232262802 818297743 /nfs/dbraw/zinc/29/77/43/818297743.db2.gz QNYIXXXWEZMKKT-UHFFFAOYSA-N 0 1 269.772 3.373 20 10 CGCDMN CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(OC)cc1O ZINC001232265087 818298319 /nfs/dbraw/zinc/29/83/19/818298319.db2.gz QEIZIZMHBITUNE-LLVKDONJSA-N 0 1 269.772 3.429 20 10 CGCDMN CC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232265087 818298323 /nfs/dbraw/zinc/29/83/23/818298323.db2.gz QEIZIZMHBITUNE-LLVKDONJSA-N 0 1 269.772 3.429 20 10 CGCDMN CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232265087 818298328 /nfs/dbraw/zinc/29/83/28/818298328.db2.gz QEIZIZMHBITUNE-LLVKDONJSA-N 0 1 269.772 3.429 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cc(Br)cc2F)C1 ZINC001233027854 818505440 /nfs/dbraw/zinc/50/54/40/818505440.db2.gz FFCNHNVXNUGOLD-MRVPVSSYSA-N 0 1 288.160 3.136 20 10 CGCDMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233331900 818581559 /nfs/dbraw/zinc/58/15/59/818581559.db2.gz PITSIUXWPBEPFQ-AOOOYVTPSA-N 0 1 255.308 3.433 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(F)c2F)CCC1(F)F ZINC001233332265 818584932 /nfs/dbraw/zinc/58/49/32/818584932.db2.gz FJWFCCQFNVYDDJ-QMMMGPOBSA-N 0 1 277.261 3.148 20 10 CGCDMN CN(Cc1ccccn1)Cc1ccc(C(F)(F)F)cc1O ZINC001233451337 818623566 /nfs/dbraw/zinc/62/35/66/818623566.db2.gz GZWYIUVLPCZVEY-UHFFFAOYSA-N 0 1 296.292 3.438 20 10 CGCDMN C[N@H+](Cc1ccc(C(F)(F)F)cc1[O-])C1CCOCC1 ZINC001233451284 818623804 /nfs/dbraw/zinc/62/38/04/818623804.db2.gz FGUXLKCMTUKXNY-UHFFFAOYSA-N 0 1 289.297 3.022 20 10 CGCDMN C[N@@H+](Cc1ccc(C(F)(F)F)cc1[O-])C1CCOCC1 ZINC001233451284 818623806 /nfs/dbraw/zinc/62/38/06/818623806.db2.gz FGUXLKCMTUKXNY-UHFFFAOYSA-N 0 1 289.297 3.022 20 10 CGCDMN CCc1ccc(CN2CCC[C@H]2c2ncccn2)c(O)c1 ZINC001236787879 819595946 /nfs/dbraw/zinc/59/59/46/819595946.db2.gz LUHCSXCXEBJHQT-HNNXBMFYSA-N 0 1 283.375 3.082 20 10 CGCDMN CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236792557 819598153 /nfs/dbraw/zinc/59/81/53/819598153.db2.gz FCNNHMCNNKJXKE-SNVBAGLBSA-N 0 1 290.190 3.310 20 10 CGCDMN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001236800035 819599633 /nfs/dbraw/zinc/59/96/33/819599633.db2.gz SFAQOWYDCZUAHE-OWUUHHOZSA-N 0 1 290.165 3.346 20 10 CGCDMN COc1cc([O-])c(C[N@H+](C)C2CC(C)C2)c(Cl)c1 ZINC001236798468 819600119 /nfs/dbraw/zinc/60/01/19/819600119.db2.gz OOOAWXRRLRRPMV-UHFFFAOYSA-N 0 1 269.772 3.285 20 10 CGCDMN COc1cc([O-])c(C[N@@H+](C)C2CC(C)C2)c(Cl)c1 ZINC001236798468 819600124 /nfs/dbraw/zinc/60/01/24/819600124.db2.gz OOOAWXRRLRRPMV-UHFFFAOYSA-N 0 1 269.772 3.285 20 10 CGCDMN CC[C@H]1CCC[N@@H+]1Cc1c([O-])cc(OC)cc1Cl ZINC001236798945 819600563 /nfs/dbraw/zinc/60/05/63/819600563.db2.gz JZULLKVDODOKCL-JTQLQIEISA-N 0 1 269.772 3.429 20 10 CGCDMN CC[C@H]1CCC[N@H+]1Cc1c([O-])cc(OC)cc1Cl ZINC001236798945 819600567 /nfs/dbraw/zinc/60/05/67/819600567.db2.gz JZULLKVDODOKCL-JTQLQIEISA-N 0 1 269.772 3.429 20 10 CGCDMN COc1cc([O-])c(C[NH+]2C[C@@H]3CCC[C@H]3C2)c(Cl)c1 ZINC001236799704 819600627 /nfs/dbraw/zinc/60/06/27/819600627.db2.gz WNAJPNSLJNMIFR-QWRGUYRKSA-N 0 1 281.783 3.286 20 10 CGCDMN COc1cc(C)c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(O)c1 ZINC001236811160 819604260 /nfs/dbraw/zinc/60/42/60/819604260.db2.gz MTRVNCIOSZJESW-XJKSGUPXSA-N 0 1 275.392 3.474 20 10 CGCDMN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001237077379 819659843 /nfs/dbraw/zinc/65/98/43/819659843.db2.gz GRTMLHWCMDRTEE-SECBINFHSA-N 0 1 290.190 3.046 20 10 CGCDMN COC[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078577 819662732 /nfs/dbraw/zinc/66/27/32/819662732.db2.gz UVYVIQPGBMUJHW-VIFPVBQESA-N 0 1 290.190 3.167 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCC12CC2 ZINC001237615938 819787325 /nfs/dbraw/zinc/78/73/25/819787325.db2.gz BSCROXFHYWLBAC-UHFFFAOYSA-N 0 1 255.720 3.313 20 10 CGCDMN Cc1cc(Cl)cc(CN2C[C@@H](C)[C@@H](F)C2)c1O ZINC001237680559 819805782 /nfs/dbraw/zinc/80/57/82/819805782.db2.gz DJEGKFRPBPGOGX-SKDRFNHKSA-N 0 1 257.736 3.144 20 10 CGCDMN Oc1c(Cl)cc(F)cc1CN1CCC[C@H](F)C1 ZINC001237800490 819845262 /nfs/dbraw/zinc/84/52/62/819845262.db2.gz ZNTIVURHQKMQFC-VIFPVBQESA-N 0 1 261.699 3.119 20 10 CGCDMN CCOc1ccc(-c2nccc3c2ccn3C)cn1 ZINC001241701105 822082196 /nfs/dbraw/zinc/08/21/96/822082196.db2.gz HXVHSDGIYMHLQN-UHFFFAOYSA-N 0 1 253.305 3.034 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2C[C@H](C)[C@@H](C)C2)c(Cl)c1 ZINC001560687315 937234662 /nfs/dbraw/zinc/23/46/62/937234662.db2.gz JWXYEKQUWOAPCZ-QWRGUYRKSA-N 0 1 253.773 3.442 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCC2CC2)c1[O-] ZINC000389297534 928796179 /nfs/dbraw/zinc/79/61/79/928796179.db2.gz PAYXFBQPPPPHIG-UHFFFAOYSA-N 0 1 281.783 3.480 20 10 CGCDMN C[C@H]1N(C/C=C/c2ccc(N(C)C)cc2)CCOC1(C)C ZINC001461961448 937608861 /nfs/dbraw/zinc/60/88/61/937608861.db2.gz RGZCJLUFPGIJOQ-LQYUOIDQSA-N 0 1 288.435 3.265 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC3(CCC3)CO2)cc1Cl ZINC001462587322 937651943 /nfs/dbraw/zinc/65/19/43/937651943.db2.gz FZKYHNSTWBGXQF-ZDUSSCGKSA-N 0 1 295.810 3.403 20 10 CGCDMN C[C@@H]1CCSCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001308689651 933158615 /nfs/dbraw/zinc/15/86/15/933158615.db2.gz VRIAZCYYKYRFAJ-SNVBAGLBSA-N 0 1 271.813 3.373 20 10 CGCDMN C[C@@H]1CCSCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001308689651 933158621 /nfs/dbraw/zinc/15/86/21/933158621.db2.gz VRIAZCYYKYRFAJ-SNVBAGLBSA-N 0 1 271.813 3.373 20 10 CGCDMN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(N2CCCC2)cc1 ZINC001324711560 934555230 /nfs/dbraw/zinc/55/52/30/934555230.db2.gz GMAPTSNJZVUUAZ-RDJZCZTQSA-N 0 1 288.435 3.286 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CC[C@@H](C)O2)cc1Cl ZINC001327823744 935087065 /nfs/dbraw/zinc/08/70/65/935087065.db2.gz IZUZZWVCDQJOIF-ZYHUDNBSSA-N 0 1 269.772 3.011 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CCO)CC2)cc1Cl ZINC001328209600 935124699 /nfs/dbraw/zinc/12/46/99/935124699.db2.gz NVJOPERYWRBLAF-CYBMUJFWSA-N 0 1 297.826 3.339 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CCO)CC2)cc1Cl ZINC001328209600 935124700 /nfs/dbraw/zinc/12/47/00/935124700.db2.gz NVJOPERYWRBLAF-CYBMUJFWSA-N 0 1 297.826 3.339 20 10 CGCDMN C[C@H](CC(F)(F)F)NCc1cc(F)c(N(C)C)cc1F ZINC001331520622 935388099 /nfs/dbraw/zinc/38/80/99/935388099.db2.gz REDMUMKWYLGJJH-MRVPVSSYSA-N 0 1 296.283 3.461 20 10 CGCDMN CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474614169 937870831 /nfs/dbraw/zinc/87/08/31/937870831.db2.gz UWGVVVFKQYOJDI-TZMCWYRMSA-N 0 1 269.772 3.093 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC001474704407 937875930 /nfs/dbraw/zinc/87/59/30/937875930.db2.gz AXHHMIQEYLHYGU-UHFFFAOYSA-N 0 1 295.810 3.221 20 10 CGCDMN C[N@H+](Cc1cc(F)c(F)cc1[O-])C[C@@H]1CC=CCC1 ZINC001560705710 938271317 /nfs/dbraw/zinc/27/13/17/938271317.db2.gz PPWZHYUZTIANGS-LLVKDONJSA-N 0 1 267.319 3.459 20 10 CGCDMN Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1Cl ZINC001574343141 962302054 /nfs/dbraw/zinc/30/20/54/962302054.db2.gz FKIHLSSOZNUCHQ-YMTOWFKASA-N 0 1 297.782 3.039 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1C(=O)[O-] ZINC001603462024 973312161 /nfs/dbraw/zinc/31/21/61/973312161.db2.gz XCLOWIKCIKMXDR-WFASDCNBSA-N 0 1 299.370 3.088 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)c1 ZINC001591974164 976584711 /nfs/dbraw/zinc/58/47/11/976584711.db2.gz PWIHOVLYRPLNFE-GFCCVEGCSA-N 0 1 291.391 3.343 20 10 CGCDMN COc1cc(Cl)cc(CNCc2occc2C)c1O ZINC000292744047 372200681 /nfs/dbraw/zinc/20/06/81/372200681.db2.gz HTUFZOCYIQEPFU-UHFFFAOYSA-N 0 1 281.739 3.245 20 10 CGCDMN CN(Cc1cscn1)Cc1cccc(Cl)c1O ZINC000179865740 373930428 /nfs/dbraw/zinc/93/04/28/373930428.db2.gz RDHMQCSYXFDLBL-UHFFFAOYSA-N 0 1 268.769 3.134 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1cc(Cl)ccc1[O-] ZINC000185368538 374648276 /nfs/dbraw/zinc/64/82/76/374648276.db2.gz QMAFANGOOMMAKW-GHMZBOCLSA-N 0 1 282.815 3.179 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+]CC1CC=CC1 ZINC000529638733 375931850 /nfs/dbraw/zinc/93/18/50/375931850.db2.gz ATGCXMCZYHZTGT-UHFFFAOYSA-N 0 1 282.181 3.211 20 10 CGCDMN CN(C)c1ccc(CN(Cc2cncs2)C2CC2)cc1 ZINC000271037281 378435422 /nfs/dbraw/zinc/43/54/22/378435422.db2.gz GPHKCGPSBLGRTO-UHFFFAOYSA-N 0 1 287.432 3.374 20 10 CGCDMN CN(Cc1ccccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000271296217 378489094 /nfs/dbraw/zinc/48/90/94/378489094.db2.gz RFTZZUAYPKLKQR-SFHVURJKSA-N 0 1 296.414 3.099 20 10 CGCDMN CN(Cc1ccccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271296217 378489097 /nfs/dbraw/zinc/48/90/97/378489097.db2.gz RFTZZUAYPKLKQR-SFHVURJKSA-N 0 1 296.414 3.099 20 10 CGCDMN CCC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCOCC1 ZINC000273596452 378756480 /nfs/dbraw/zinc/75/64/80/378756480.db2.gz QVFSHWBWWNDCNO-GFCCVEGCSA-N 0 1 281.371 3.389 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000371424044 379163094 /nfs/dbraw/zinc/16/30/94/379163094.db2.gz FROUDHSAGMYLJE-CYBMUJFWSA-N 0 1 251.757 3.420 20 10 CGCDMN Cc1cc(O)c(CN2CCC[C@@H]2c2ncc[nH]2)cc1C ZINC000375344287 379493818 /nfs/dbraw/zinc/49/38/18/379493818.db2.gz CSXWOZGRYLROJM-CQSZACIVSA-N 0 1 271.364 3.069 20 10 CGCDMN CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cccc(Cl)c1[O-])C2 ZINC000377627347 379710091 /nfs/dbraw/zinc/71/00/91/379710091.db2.gz PFADKQKDCLLDHZ-PBWFPOADSA-N 0 1 294.826 3.103 20 10 CGCDMN C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1cc(F)ccc1[O-] ZINC000364151703 382262723 /nfs/dbraw/zinc/26/27/23/382262723.db2.gz UWIZLNMWVAEMGE-GOPGUHFVSA-N 0 1 293.382 3.387 20 10 CGCDMN C[C@]1(O)CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000366252250 382303830 /nfs/dbraw/zinc/30/38/30/382303830.db2.gz XWOKLONQVBGSCQ-SFHVURJKSA-N 0 1 285.387 3.282 20 10 CGCDMN C[C@]1(O)CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000366252250 382303834 /nfs/dbraw/zinc/30/38/34/382303834.db2.gz XWOKLONQVBGSCQ-SFHVURJKSA-N 0 1 285.387 3.282 20 10 CGCDMN C[C@H](c1ccccn1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000272753560 393265325 /nfs/dbraw/zinc/26/53/25/393265325.db2.gz KBPCKDYFVPNPPX-CYBMUJFWSA-N 0 1 287.382 3.480 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(C)(C)O ZINC000294929062 286920800 /nfs/dbraw/zinc/92/08/00/286920800.db2.gz HHZXSBLQHZNNHI-TVQRCGJNSA-N 0 1 271.788 3.246 20 10 CGCDMN Cc1c([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cnn1C ZINC000185001759 262036461 /nfs/dbraw/zinc/03/64/61/262036461.db2.gz CWOJLBSJIFATIF-UWVGGRQHSA-N 0 1 293.798 3.499 20 10 CGCDMN C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000185671928 262065405 /nfs/dbraw/zinc/06/54/05/262065405.db2.gz WSIXCPIOTRHROA-GVXVVHGQSA-N 0 1 294.826 3.321 20 10 CGCDMN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c([O-])cccc1Cl ZINC000368043418 267141256 /nfs/dbraw/zinc/14/12/56/267141256.db2.gz PMAFSOSEYZTCNX-QWHCGFSZSA-N 0 1 294.826 3.104 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cc(F)ccc1[O-] ZINC000248533933 329891559 /nfs/dbraw/zinc/89/15/59/329891559.db2.gz ZMASTTXXAVUUTP-PNEXNCLXSA-N 0 1 279.355 3.140 20 10 CGCDMN CCC[C@@]1(CO)CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000290181866 520963542 /nfs/dbraw/zinc/96/35/42/520963542.db2.gz NVHQNKCAXPHHQQ-OAHLLOKOSA-N 0 1 283.799 3.030 20 10 CGCDMN CCC[C@@]1(CO)CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000290181866 520963550 /nfs/dbraw/zinc/96/35/50/520963550.db2.gz NVHQNKCAXPHHQQ-OAHLLOKOSA-N 0 1 283.799 3.030 20 10 CGCDMN CCCc1nc(C)c(CNCc2cc(C)ccc2O)o1 ZINC000291707692 521496814 /nfs/dbraw/zinc/49/68/14/521496814.db2.gz LAQDZJJLNPZAGU-UHFFFAOYSA-N 0 1 274.364 3.239 20 10 CGCDMN COc1c([O-])c(C[N@@H+](CC(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000278294488 521870539 /nfs/dbraw/zinc/87/05/39/521870539.db2.gz VFDURQRJDDSTKU-UHFFFAOYSA-N 0 1 296.367 3.175 20 10 CGCDMN CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000290297232 523431263 /nfs/dbraw/zinc/43/12/63/523431263.db2.gz YKNQRFZRIZNLFQ-BBBLOLIVSA-N 0 1 257.761 3.120 20 10 CGCDMN Cc1ncc(CN(C)Cc2ccc(N(C)C)c(C)c2)s1 ZINC000293342972 527252316 /nfs/dbraw/zinc/25/23/16/527252316.db2.gz DGGKZJLQODQGIX-UHFFFAOYSA-N 0 1 289.448 3.458 20 10 CGCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)CC(C)(C)C ZINC000738090332 571780661 /nfs/dbraw/zinc/78/06/61/571780661.db2.gz OTZWFLUJWJGPRL-UHFFFAOYSA-N 0 1 258.365 3.418 20 10 CGCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)CC(C)(C)C ZINC000738090332 571780664 /nfs/dbraw/zinc/78/06/64/571780664.db2.gz OTZWFLUJWJGPRL-UHFFFAOYSA-N 0 1 258.365 3.418 20 10 CGCDMN C[C@H]1SCC[N@@H+](Cc2c(O)ccc3ccncc32)[C@@H]1C ZINC000735668556 572737228 /nfs/dbraw/zinc/73/72/28/572737228.db2.gz VDEIYWXOAUYGAG-VXGBXAGGSA-N 0 1 288.416 3.266 20 10 CGCDMN C[C@H]1SCC[N@H+](Cc2c([O-])ccc3ccncc32)[C@@H]1C ZINC000735668556 572737230 /nfs/dbraw/zinc/73/72/30/572737230.db2.gz VDEIYWXOAUYGAG-VXGBXAGGSA-N 0 1 288.416 3.266 20 10 CGCDMN C[C@H]1SCC[N@@H+](Cc2c([O-])ccc3ccncc32)[C@@H]1C ZINC000735668556 572737235 /nfs/dbraw/zinc/73/72/35/572737235.db2.gz VDEIYWXOAUYGAG-VXGBXAGGSA-N 0 1 288.416 3.266 20 10 CGCDMN Cc1cnc(C(C)(C)NCc2ccccc2O)s1 ZINC000175980457 618144386 /nfs/dbraw/zinc/14/43/86/618144386.db2.gz NDLBLUJMAUUBJX-UHFFFAOYSA-N 0 1 262.378 3.182 20 10 CGCDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C1(C)CC1 ZINC000309762976 619050238 /nfs/dbraw/zinc/05/02/38/619050238.db2.gz JCCSRFZLRKWILY-SECBINFHSA-N 0 1 284.197 3.433 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c(Cl)c1 ZINC000840904278 619088076 /nfs/dbraw/zinc/08/80/76/619088076.db2.gz IJKLUDXMXCIETA-NWDGAFQWSA-N 0 1 294.826 3.069 20 10 CGCDMN C[C@H]([NH2+]CCCOC(F)F)c1cc(Cl)ccc1[O-] ZINC000194033620 619136350 /nfs/dbraw/zinc/13/63/50/619136350.db2.gz ZLIZRCJNAAFHCU-QMMMGPOBSA-N 0 1 279.714 3.326 20 10 CGCDMN COc1ccc(CNCc2ccc(C)c(C)n2)cc1C ZINC000314143685 619215931 /nfs/dbraw/zinc/21/59/31/619215931.db2.gz GKYQMWNWCZGFQO-UHFFFAOYSA-N 0 1 270.376 3.305 20 10 CGCDMN C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894600705 619583538 /nfs/dbraw/zinc/58/35/38/619583538.db2.gz KTRUIVLYUFTVMT-XVKPBYJWSA-N 0 1 295.251 3.443 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000894654543 619595652 /nfs/dbraw/zinc/59/56/52/619595652.db2.gz WZUKVNPGBFOWSS-LLVKDONJSA-N 0 1 290.313 3.055 20 10 CGCDMN CCn1ccc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])c1 ZINC000792183428 619605643 /nfs/dbraw/zinc/60/56/43/619605643.db2.gz NCNHCIJNPNCAPN-UHFFFAOYSA-N 0 1 278.783 3.499 20 10 CGCDMN CCn1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])c1 ZINC000792183428 619605648 /nfs/dbraw/zinc/60/56/48/619605648.db2.gz NCNHCIJNPNCAPN-UHFFFAOYSA-N 0 1 278.783 3.499 20 10 CGCDMN COc1ccnc([C@@H](C)NCc2ccc(N(C)C)cc2C)c1 ZINC000925081981 619644130 /nfs/dbraw/zinc/64/41/30/619644130.db2.gz SSMNMPGKIPXMID-CQSZACIVSA-N 0 1 299.418 3.315 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@H](C)C1(F)F ZINC000895387752 619818713 /nfs/dbraw/zinc/81/87/13/619818713.db2.gz FDXRCWJTWJQPIY-DTORHVGOSA-N 0 1 291.288 3.394 20 10 CGCDMN COc1ccc(CNCc2cccc3c2OCCO3)cc1C ZINC000237435351 620376100 /nfs/dbraw/zinc/37/61/00/620376100.db2.gz GXGGGCPVXDOWHI-UHFFFAOYSA-N 0 1 299.370 3.065 20 10 CGCDMN Cc1ncccc1CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000898256952 620505103 /nfs/dbraw/zinc/50/51/03/620505103.db2.gz KGPPQVKXJPVIBY-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H]2COC[C@@H]2C2CC2)ccc2ccccc21 ZINC000898380408 620515295 /nfs/dbraw/zinc/51/52/95/620515295.db2.gz NYCHJNAGLOTEIS-IAGOWNOFSA-N 0 1 283.371 3.060 20 10 CGCDMN CC[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000903300475 621667808 /nfs/dbraw/zinc/66/78/08/621667808.db2.gz IPSZBUVOLWGNAX-BPNCWPANSA-N 0 1 282.815 3.179 20 10 CGCDMN CC[N@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)C1CC1 ZINC000912855095 622704889 /nfs/dbraw/zinc/70/48/89/622704889.db2.gz PXLZQCKUKRXKSU-UHFFFAOYSA-N 0 1 299.370 3.316 20 10 CGCDMN CC[N@@H+](Cc1c([O-])c(C(=O)OC)cc2ccccc21)C1CC1 ZINC000912855095 622704898 /nfs/dbraw/zinc/70/48/98/622704898.db2.gz PXLZQCKUKRXKSU-UHFFFAOYSA-N 0 1 299.370 3.316 20 10 CGCDMN C[C@H]([NH2+]CC1(CCO)CC1)c1ccc2ccccc2c1[O-] ZINC000157444390 622906972 /nfs/dbraw/zinc/90/69/72/622906972.db2.gz GQEWXDYZWUBOLT-ZDUSSCGKSA-N 0 1 285.387 3.359 20 10 CGCDMN COc1ccccc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000171110484 623131262 /nfs/dbraw/zinc/13/12/62/623131262.db2.gz UHDSJMKVRSVIED-UHFFFAOYSA-N 0 1 284.403 3.393 20 10 CGCDMN CCc1ccc2nc(-c3cc(O)c(O)c(OC)c3)[nH]c2c1 ZINC000155064101 624418929 /nfs/dbraw/zinc/41/89/29/624418929.db2.gz MFBCUUOPYPWJIR-UHFFFAOYSA-N 0 1 284.315 3.212 20 10 CGCDMN Cc1cccc(CN(C)Cc2ccccc2F)c1O ZINC000179565944 624666347 /nfs/dbraw/zinc/66/63/47/624666347.db2.gz OYYCKHJVBWJFIV-UHFFFAOYSA-N 0 1 259.324 3.472 20 10 CGCDMN CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC000179855283 624688525 /nfs/dbraw/zinc/68/85/25/624688525.db2.gz FKOPCTOYMILHOC-JQWIXIFHSA-N 0 1 269.772 3.045 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCCC[C@H]2C)c1[O-] ZINC000070410624 625005177 /nfs/dbraw/zinc/00/51/77/625005177.db2.gz TVVRRCXNDFSLIZ-LLVKDONJSA-N 0 1 279.355 3.498 20 10 CGCDMN CCc1[nH]nc(Cl)c1CN[C@H](C)c1ccccc1O ZINC000922330485 625999154 /nfs/dbraw/zinc/99/91/54/625999154.db2.gz XERUBNUOEJOQFS-SECBINFHSA-N 0 1 279.771 3.182 20 10 CGCDMN C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(Cl)ccc1[O-] ZINC000756572796 626096785 /nfs/dbraw/zinc/09/67/85/626096785.db2.gz ILINRZLXZQJWKG-IINYFYTJSA-N 0 1 269.772 3.123 20 10 CGCDMN Cc1ncc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)o1 ZINC000840794050 626239810 /nfs/dbraw/zinc/23/98/10/626239810.db2.gz CBUAGQSNLDCSFE-NSHDSACASA-N 0 1 286.375 3.418 20 10 CGCDMN C[C@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccn(C)n1 ZINC000840814967 626246549 /nfs/dbraw/zinc/24/65/49/626246549.db2.gz AOGNRKKPMNZCLF-GBIKHYSHSA-N 0 1 289.354 3.164 20 10 CGCDMN Cc1cc(N(C)C)ccc1CNCc1cnc(C2CC2)nc1 ZINC000838947681 626282029 /nfs/dbraw/zinc/28/20/29/626282029.db2.gz CKGCETNLRFAPJH-UHFFFAOYSA-N 0 1 296.418 3.018 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000756434827 626705585 /nfs/dbraw/zinc/70/55/85/626705585.db2.gz ZWSMAQQXWWIHQP-YGRLFVJLSA-N 0 1 282.815 3.036 20 10 CGCDMN C[C@H]1C[C@@H](NCc2nccs2)c2c1c(F)ccc2O ZINC000756444694 626706055 /nfs/dbraw/zinc/70/60/55/626706055.db2.gz WHAISAGHNSUIRJ-WCBMZHEXSA-N 0 1 278.352 3.326 20 10 CGCDMN Cc1ccn2cc(CN[C@@H](C)c3cc(F)ccc3O)nc2c1 ZINC000756532355 626712433 /nfs/dbraw/zinc/71/24/33/626712433.db2.gz DQJJDOQVIAMTEJ-LBPRGKRZSA-N 0 1 299.349 3.338 20 10 CGCDMN CCc1cc(CN[C@@H](C)c2cc(C)ccc2O)on1 ZINC000756603491 626719900 /nfs/dbraw/zinc/71/99/00/626719900.db2.gz CNEZTKCZYCXJCM-NSHDSACASA-N 0 1 260.337 3.102 20 10 CGCDMN CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756624127 626721043 /nfs/dbraw/zinc/72/10/43/626721043.db2.gz DJOXGCCESFNWMP-SFTQSGBHSA-N 0 1 295.398 3.466 20 10 CGCDMN C[N@@H+](CCc1ccncc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000757889325 626812632 /nfs/dbraw/zinc/81/26/32/626812632.db2.gz YKBMKWOCFZDGGS-UHFFFAOYSA-N 0 1 294.757 3.254 20 10 CGCDMN CCCC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H](C)CC ZINC000768439078 627479937 /nfs/dbraw/zinc/47/99/37/627479937.db2.gz GNDQWMJXMPJTRB-MLGOLLRUSA-N 0 1 293.407 3.219 20 10 CGCDMN CCCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)[C@H](C)CC ZINC000768439078 627479939 /nfs/dbraw/zinc/47/99/39/627479939.db2.gz GNDQWMJXMPJTRB-MLGOLLRUSA-N 0 1 293.407 3.219 20 10 CGCDMN COc1cccc([O-])c1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000768544105 627485842 /nfs/dbraw/zinc/48/58/42/627485842.db2.gz PFHRFAFRHFYKKS-NSHDSACASA-N 0 1 251.370 3.267 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000768544105 627485843 /nfs/dbraw/zinc/48/58/43/627485843.db2.gz PFHRFAFRHFYKKS-NSHDSACASA-N 0 1 251.370 3.267 20 10 CGCDMN CCOc1ccc(CN(C)Cc2scnc2C)c(O)c1 ZINC000769320673 627540619 /nfs/dbraw/zinc/54/06/19/627540619.db2.gz UBQMNGGAMDMMAT-UHFFFAOYSA-N 0 1 292.404 3.188 20 10 CGCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cn1 ZINC000771382288 627705465 /nfs/dbraw/zinc/70/54/65/627705465.db2.gz JVXKASRASJGWSH-LLVKDONJSA-N 0 1 272.323 3.006 20 10 CGCDMN CCC[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775177292 628068879 /nfs/dbraw/zinc/06/88/79/628068879.db2.gz QNYMPPONOIFSDS-MRXNPFEDSA-N 0 1 297.826 3.481 20 10 CGCDMN CCOc1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775365765 628086063 /nfs/dbraw/zinc/08/60/63/628086063.db2.gz WXHASYAFLBAYIW-CQSZACIVSA-N 0 1 299.418 3.397 20 10 CGCDMN CC[C@@H]([NH2+]CCN1CCCC1)c1cc(Cl)ccc1[O-] ZINC000775485590 628099706 /nfs/dbraw/zinc/09/97/06/628099706.db2.gz XJFTVUUJDAODKS-CQSZACIVSA-N 0 1 282.815 3.182 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cc(Cl)ccc1[O-] ZINC000775490663 628100430 /nfs/dbraw/zinc/10/04/30/628100430.db2.gz XCOQVHVLWXIFOW-GXTWGEPZSA-N 0 1 282.815 3.181 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000775493514 628100591 /nfs/dbraw/zinc/10/05/91/628100591.db2.gz UNBOBMMURKASSV-OCCSQVGLSA-N 0 1 282.815 3.181 20 10 CGCDMN CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775503674 628102006 /nfs/dbraw/zinc/10/20/06/628102006.db2.gz MDUTYFYBVYXSSD-DZGCQCFKSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775513671 628102632 /nfs/dbraw/zinc/10/26/32/628102632.db2.gz RSKFEPDQYRCNMJ-SWLSCSKDSA-N 0 1 296.842 3.428 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000775656594 628120827 /nfs/dbraw/zinc/12/08/27/628120827.db2.gz WYRKCQQDYPUFKC-UHFFFAOYSA-N 0 1 289.762 3.310 20 10 CGCDMN C[C@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775716369 628127260 /nfs/dbraw/zinc/12/72/60/628127260.db2.gz VGYWPIXSBQIRRC-IUCAKERBSA-N 0 1 257.736 3.415 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000775726059 628129450 /nfs/dbraw/zinc/12/94/50/628129450.db2.gz ONKLNPITYKNGJA-SNVBAGLBSA-N 0 1 269.747 3.417 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000783672730 628737920 /nfs/dbraw/zinc/73/79/20/628737920.db2.gz IJDGAYCDKIVHFE-GFCCVEGCSA-N 0 1 295.745 3.245 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCc2ncsc2C1 ZINC000783743115 628744620 /nfs/dbraw/zinc/74/46/20/628744620.db2.gz GEHWJXLMRRIFEH-UHFFFAOYSA-N 0 1 298.770 3.200 20 10 CGCDMN C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000784643678 628827197 /nfs/dbraw/zinc/82/71/97/628827197.db2.gz NRFQYZMATKPUGL-NEPJUHHUSA-N 0 1 283.799 3.340 20 10 CGCDMN Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)sn1 ZINC000788442652 629053115 /nfs/dbraw/zinc/05/31/15/629053115.db2.gz HJWDZHPMHAUCTB-UHFFFAOYSA-N 0 1 275.421 3.150 20 10 CGCDMN CC[C@@H]([NH2+]CCC[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000788604854 629067181 /nfs/dbraw/zinc/06/71/81/629067181.db2.gz MWFDSPIGRYZNSD-ZWNOBZJWSA-N 0 1 271.788 3.247 20 10 CGCDMN Cc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])nc1 ZINC000789594282 629149344 /nfs/dbraw/zinc/14/93/44/629149344.db2.gz HKZDLLFABHAZAA-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN Cc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])nc1 ZINC000789594282 629149347 /nfs/dbraw/zinc/14/93/47/629149347.db2.gz HKZDLLFABHAZAA-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN Cc1ccc(CN(C)Cc2cc(Cl)ccc2O)nc1 ZINC000789594282 629149349 /nfs/dbraw/zinc/14/93/49/629149349.db2.gz HKZDLLFABHAZAA-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1Cl ZINC000862516885 629390584 /nfs/dbraw/zinc/39/05/84/629390584.db2.gz ANIUTYZCCZROFV-OZWUEAAUSA-N 0 1 283.799 3.256 20 10 CGCDMN Cc1cnc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000793906998 629507594 /nfs/dbraw/zinc/50/75/94/629507594.db2.gz JOSAYMYUQDNLBY-ZIAGYGMSSA-N 0 1 284.407 3.263 20 10 CGCDMN CC(C)Oc1ccc(N(C)Cc2n[nH]c(C(C)C)n2)cc1 ZINC000794536167 629551316 /nfs/dbraw/zinc/55/13/16/629551316.db2.gz VAEJPEZQGIGRPP-UHFFFAOYSA-N 0 1 288.395 3.352 20 10 CGCDMN [O-]c1cccc2c(NCc3ccccc3O)cc[nH+]c12 ZINC000795081847 629631501 /nfs/dbraw/zinc/63/15/01/629631501.db2.gz UERXATZMLCLCCF-UHFFFAOYSA-N 0 1 266.300 3.258 20 10 CGCDMN COC(=O)c1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000863988737 629721281 /nfs/dbraw/zinc/72/12/81/629721281.db2.gz CCHHHQJKZRZMNU-UHFFFAOYSA-N 0 1 293.269 3.069 20 10 CGCDMN C[C@@H](O)c1cc(NCc2ccc(F)c(F)c2O)ccc1F ZINC000864037830 629733976 /nfs/dbraw/zinc/73/39/76/629733976.db2.gz AKFIYKOAVBEASI-MRVPVSSYSA-N 0 1 297.276 3.475 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000798965016 630130852 /nfs/dbraw/zinc/13/08/52/630130852.db2.gz OPGBDCHSRJVZQE-LBPRGKRZSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000798965016 630130856 /nfs/dbraw/zinc/13/08/56/630130856.db2.gz OPGBDCHSRJVZQE-LBPRGKRZSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000800890901 630309364 /nfs/dbraw/zinc/30/93/64/630309364.db2.gz YDGAGQITFSXNAC-BIMULSAOSA-N 0 1 296.208 3.433 20 10 CGCDMN CCOCc1cc(CNCc2ccc(C)o2)ccc1OC ZINC000865724107 630476368 /nfs/dbraw/zinc/47/63/68/630476368.db2.gz HGOHQHPVNLQZAY-UHFFFAOYSA-N 0 1 289.375 3.423 20 10 CGCDMN Cc1nnc(NCc2cc(Cl)cc(Cl)c2O)nc1C ZINC000808090255 630622116 /nfs/dbraw/zinc/62/21/16/630622116.db2.gz WDRONIIGAYTDBS-UHFFFAOYSA-N 0 1 299.161 3.113 20 10 CGCDMN CCN(Cc1ccncc1)Cc1ccc(N(C)C)c(F)c1 ZINC000809727321 630793923 /nfs/dbraw/zinc/79/39/23/630793923.db2.gz WFNLZUXVHZYKRI-UHFFFAOYSA-N 0 1 287.382 3.309 20 10 CGCDMN CC[C@H]([NH2+]CC(C)(C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218260 630855043 /nfs/dbraw/zinc/85/50/43/630855043.db2.gz RGORVYYVEOLGBX-NSHDSACASA-N 0 1 291.313 3.223 20 10 CGCDMN Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876545160 634854254 /nfs/dbraw/zinc/85/42/54/634854254.db2.gz BQRBSXNCBOOEHX-CQSZACIVSA-N 0 1 292.329 3.346 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000816513173 631999281 /nfs/dbraw/zinc/99/92/81/631999281.db2.gz IRXLRDMGNWSJTC-DTORHVGOSA-N 0 1 257.736 3.273 20 10 CGCDMN C[N@@H+](CCOC(C)(C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816516426 632002356 /nfs/dbraw/zinc/00/23/56/632002356.db2.gz FLXVKNOLKPJQPS-UHFFFAOYSA-N 0 1 289.778 3.432 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CNc1ccc2nn[nH]c2c1 ZINC000816557182 632011097 /nfs/dbraw/zinc/01/10/97/632011097.db2.gz HBJRUCBRAYORNZ-UHFFFAOYSA-N 0 1 292.701 3.068 20 10 CGCDMN Oc1c(CNCc2ncccc2F)ccc2ccccc21 ZINC000816558389 632011570 /nfs/dbraw/zinc/01/15/70/632011570.db2.gz WZRBCZJGFFOWFV-UHFFFAOYSA-N 0 1 282.318 3.369 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000816569562 632016653 /nfs/dbraw/zinc/01/66/53/632016653.db2.gz PIMFQLDQPWLFFW-GFCCVEGCSA-N 0 1 295.745 3.245 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CCO)CC2)c(Cl)c1 ZINC000817419364 632146680 /nfs/dbraw/zinc/14/66/80/632146680.db2.gz USAPTYRIRICIQV-CYBMUJFWSA-N 0 1 297.826 3.339 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CCO)CC2)c(Cl)c1 ZINC000817419364 632146681 /nfs/dbraw/zinc/14/66/81/632146681.db2.gz USAPTYRIRICIQV-CYBMUJFWSA-N 0 1 297.826 3.339 20 10 CGCDMN CCN(CC)c1ccc(CNCc2ccncc2F)cc1 ZINC000823671644 633134732 /nfs/dbraw/zinc/13/47/32/633134732.db2.gz RIKBWMPCQLRNHW-UHFFFAOYSA-N 0 1 287.382 3.357 20 10 CGCDMN CC(C)[N@H+](Cc1ccc(F)c(F)c1[O-])CC1CC1 ZINC000876605673 634866900 /nfs/dbraw/zinc/86/69/00/634866900.db2.gz OIBMFGBRTWSBHE-UHFFFAOYSA-N 0 1 255.308 3.291 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000824820249 633296462 /nfs/dbraw/zinc/29/64/62/633296462.db2.gz BXDNWWGNODCJBE-OTYXRUKQSA-N 0 1 287.762 3.042 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](C)O)cc1Cl ZINC000824829686 633296492 /nfs/dbraw/zinc/29/64/92/633296492.db2.gz KGXODJPYXQMXAU-YPMHNXCESA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cc1Cl ZINC000824829686 633296497 /nfs/dbraw/zinc/29/64/97/633296497.db2.gz KGXODJPYXQMXAU-YPMHNXCESA-N 0 1 283.799 3.089 20 10 CGCDMN CCC1(O)CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824855304 633301036 /nfs/dbraw/zinc/30/10/36/633301036.db2.gz IYRROYOGJHDVQB-UHFFFAOYSA-N 0 1 283.799 3.091 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1Cl ZINC000824920612 633306116 /nfs/dbraw/zinc/30/61/16/633306116.db2.gz SLYUOZGXGAZDGW-SWLSCSKDSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1Cl ZINC000824920612 633306119 /nfs/dbraw/zinc/30/61/19/633306119.db2.gz SLYUOZGXGAZDGW-SWLSCSKDSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1Cl ZINC000824920612 633306125 /nfs/dbraw/zinc/30/61/25/633306125.db2.gz SLYUOZGXGAZDGW-SWLSCSKDSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1Cl ZINC000824920610 633306164 /nfs/dbraw/zinc/30/61/64/633306164.db2.gz SLYUOZGXGAZDGW-DOMZBBRYSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1Cl ZINC000824920610 633306165 /nfs/dbraw/zinc/30/61/65/633306165.db2.gz SLYUOZGXGAZDGW-DOMZBBRYSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1Cl ZINC000824920610 633306170 /nfs/dbraw/zinc/30/61/70/633306170.db2.gz SLYUOZGXGAZDGW-DOMZBBRYSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2(CCO)CCCC2)cc1Cl ZINC000825319971 633345031 /nfs/dbraw/zinc/34/50/31/633345031.db2.gz DLIGMMCXXNEAKJ-UHFFFAOYSA-N 0 1 297.826 3.386 20 10 CGCDMN CCC(CC)(CO)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825385161 633350626 /nfs/dbraw/zinc/35/06/26/633350626.db2.gz SWPSGHLAYNCHLF-UHFFFAOYSA-N 0 1 285.815 3.242 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1Cl ZINC000825502288 633358862 /nfs/dbraw/zinc/35/88/62/633358862.db2.gz VWCRLWJOZYELBZ-JKSUJKDBSA-N 0 1 295.810 3.401 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@H](C)OC ZINC000825955087 633391996 /nfs/dbraw/zinc/39/19/96/633391996.db2.gz FWBUTGHZDCXBRL-NSHDSACASA-N 0 1 271.788 3.211 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@H](C)OC ZINC000825955087 633391999 /nfs/dbraw/zinc/39/19/99/633391999.db2.gz FWBUTGHZDCXBRL-NSHDSACASA-N 0 1 271.788 3.211 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1Cl ZINC000826089696 633404309 /nfs/dbraw/zinc/40/43/09/633404309.db2.gz NSEPUEPJNFOJBH-CYBMUJFWSA-N 0 1 297.826 3.337 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)cc1Cl ZINC000826089696 633404313 /nfs/dbraw/zinc/40/43/13/633404313.db2.gz NSEPUEPJNFOJBH-CYBMUJFWSA-N 0 1 297.826 3.337 20 10 CGCDMN CC1(C)C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CO1 ZINC000826796371 633433538 /nfs/dbraw/zinc/43/35/38/633433538.db2.gz JADYEKPBBJDOHE-AWEZNQCLSA-N 0 1 271.360 3.203 20 10 CGCDMN CN1CC(C[N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000827124683 633461725 /nfs/dbraw/zinc/46/17/25/633461725.db2.gz DHHVGARDBGYMEO-UHFFFAOYSA-N 0 1 296.414 3.053 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(CO)CCCCC1 ZINC000122863800 633524770 /nfs/dbraw/zinc/52/47/70/633524770.db2.gz RHJGWQSLLRTQIL-UHFFFAOYSA-N 0 1 283.799 3.078 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CCC[C@@H](F)C1 ZINC000846120856 636147196 /nfs/dbraw/zinc/14/71/96/636147196.db2.gz TZTWWGQCMSSTQA-MRVPVSSYSA-N 0 1 261.699 3.119 20 10 CGCDMN CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000846183316 636154754 /nfs/dbraw/zinc/15/47/54/636154754.db2.gz HJANHTOCVPKTDH-MISXGVKJSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(Cl)ccc1[O-] ZINC000872111442 634035712 /nfs/dbraw/zinc/03/57/12/634035712.db2.gz CVWDUKVPHIIATO-GHMZBOCLSA-N 0 1 297.782 3.040 20 10 CGCDMN CCCOc1ccc(CN[C@@H](C)c2cnn(C)c2)cc1C ZINC000873060222 634238462 /nfs/dbraw/zinc/23/84/62/634238462.db2.gz FPAODAVVQUATHI-AWEZNQCLSA-N 0 1 287.407 3.368 20 10 CGCDMN CCN(C)c1ccc([C@H](C)N[C@H]2CCn3ccnc32)cc1 ZINC000834835765 634253308 /nfs/dbraw/zinc/25/33/08/634253308.db2.gz JKBOXZIWSPFJKB-BBRMVZONSA-N 0 1 284.407 3.135 20 10 CGCDMN CCn1ccnc1[C@@H](C)N[C@H](C)c1ccc(C)cc1O ZINC000834896106 634273241 /nfs/dbraw/zinc/27/32/41/634273241.db2.gz UQCLXWGABYYASF-CHWSQXEVSA-N 0 1 273.380 3.329 20 10 CGCDMN COc1cccnc1CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000834907225 634282866 /nfs/dbraw/zinc/28/28/66/634282866.db2.gz YYQGDHOBBGIBMT-ZDUSSCGKSA-N 0 1 286.375 3.263 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cc(Cl)ccc1[O-] ZINC000834906921 634283195 /nfs/dbraw/zinc/28/31/95/634283195.db2.gz UIPXHOASYBZDQA-HIFRSBDPSA-N 0 1 283.799 3.247 20 10 CGCDMN C[C@@H]1C[C@@H](NC/C=C/c2ccc(N(C)C)cc2)c2nccn21 ZINC000835055087 634339906 /nfs/dbraw/zinc/33/99/06/634339906.db2.gz QNJXJVOJFCMIQG-XUOJHOASSA-N 0 1 296.418 3.258 20 10 CGCDMN CC[C@@H]([NH2+]CCc1cn(C)cn1)c1cc(Cl)ccc1[O-] ZINC000840767971 635050154 /nfs/dbraw/zinc/05/01/54/635050154.db2.gz XVHJMIXVEHSFBG-CQSZACIVSA-N 0 1 293.798 3.063 20 10 CGCDMN C[C@@H](N[C@H](C)c1cc(Cl)ccc1O)c1ccn(C)n1 ZINC000840817940 635057310 /nfs/dbraw/zinc/05/73/10/635057310.db2.gz XQMSUASRGUIBOE-NXEZZACHSA-N 0 1 279.771 3.191 20 10 CGCDMN Cc1cc(O)c(CNc2nccn2C2CC2)cc1C ZINC000840887644 635075745 /nfs/dbraw/zinc/07/57/45/635075745.db2.gz RSYDYOGTNAZVKJ-UHFFFAOYSA-N 0 1 257.337 3.153 20 10 CGCDMN CCO[C@H]1CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840907737 635080305 /nfs/dbraw/zinc/08/03/05/635080305.db2.gz HZYDNOKREYQDPX-LBPRGKRZSA-N 0 1 283.799 3.355 20 10 CGCDMN CCO[C@H]1CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840907737 635080308 /nfs/dbraw/zinc/08/03/08/635080308.db2.gz HZYDNOKREYQDPX-LBPRGKRZSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCC[C@H]2CCOC2)c(Cl)c1 ZINC000840952232 635091889 /nfs/dbraw/zinc/09/18/89/635091889.db2.gz XBSYJGWIAORZCH-LBPRGKRZSA-N 0 1 283.799 3.260 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2Cc3cccc(O)c3C2)cc1C ZINC000877702813 635153734 /nfs/dbraw/zinc/15/37/34/635153734.db2.gz IPBKWSIVFLDYQO-UHFFFAOYSA-N 0 1 269.344 3.230 20 10 CGCDMN Oc1cccc2c1C[N@@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000877702551 635154054 /nfs/dbraw/zinc/15/40/54/635154054.db2.gz AXQWJAFDPWLRRQ-UHFFFAOYSA-N 0 1 295.382 3.276 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCn3nccc32)cc1Cl ZINC000877778870 635200213 /nfs/dbraw/zinc/20/02/13/635200213.db2.gz VPNJTAKFEBUGQE-CYBMUJFWSA-N 0 1 291.782 3.175 20 10 CGCDMN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000877778890 635200679 /nfs/dbraw/zinc/20/06/79/635200679.db2.gz WAOMDAXPGNOYHT-DOMZBBRYSA-N 0 1 273.376 3.185 20 10 CGCDMN CC(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747550 635223941 /nfs/dbraw/zinc/22/39/41/635223941.db2.gz RCFRFBQCUBIBHJ-ZYHUDNBSSA-N 0 1 271.788 3.103 20 10 CGCDMN C[C@@H]([NH2+]CCc1nccs1)c1ccc(Cl)cc1[O-] ZINC000841748687 635224294 /nfs/dbraw/zinc/22/42/94/635224294.db2.gz YEPSNXNJZBIGCK-SECBINFHSA-N 0 1 282.796 3.395 20 10 CGCDMN CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(C)(C)O ZINC000841753364 635227580 /nfs/dbraw/zinc/22/75/80/635227580.db2.gz HGXHARXGLSWVFH-NOZJJQNGSA-N 0 1 271.788 3.246 20 10 CGCDMN C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841754848 635228175 /nfs/dbraw/zinc/22/81/75/635228175.db2.gz MONLOHTZGXFTFW-VXGBXAGGSA-N 0 1 282.815 3.181 20 10 CGCDMN CCn1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841755597 635229973 /nfs/dbraw/zinc/22/99/73/635229973.db2.gz KBJKAIIKYVWDHU-SNVBAGLBSA-N 0 1 279.771 3.113 20 10 CGCDMN CCn1ccc(CN[C@H](C)c2ccc(Cl)cc2O)n1 ZINC000841755597 635229974 /nfs/dbraw/zinc/22/99/74/635229974.db2.gz KBJKAIIKYVWDHU-SNVBAGLBSA-N 0 1 279.771 3.113 20 10 CGCDMN C[C@H]([NH2+]CCc1cscn1)c1ccc(Cl)cc1[O-] ZINC000841757388 635231219 /nfs/dbraw/zinc/23/12/19/635231219.db2.gz GBWZMBWNJWEJRB-VIFPVBQESA-N 0 1 282.796 3.395 20 10 CGCDMN CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841758352 635231444 /nfs/dbraw/zinc/23/14/44/635231444.db2.gz GSVZJOXLTTUXHR-IMSIIYSGSA-N 0 1 271.788 3.103 20 10 CGCDMN CC[C@H]([NH2+]CC1(N(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000841761574 635233495 /nfs/dbraw/zinc/23/34/95/635233495.db2.gz HEMGHNWPQXXMTR-ZDUSSCGKSA-N 0 1 282.815 3.181 20 10 CGCDMN CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000842761081 635462751 /nfs/dbraw/zinc/46/27/51/635462751.db2.gz SJPYMRPXQKSYBZ-BETUJISGSA-N 0 1 283.799 3.481 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000842927804 635514445 /nfs/dbraw/zinc/51/44/45/635514445.db2.gz GVKQJZPVFSMLNH-CDMKHQONSA-N 0 1 269.772 3.264 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1O)C[C@H]1C[C@@H](OC)C1 ZINC000878565568 635557609 /nfs/dbraw/zinc/55/76/09/635557609.db2.gz PPPLZEYZUATVMM-FZNQNYSPSA-N 0 1 277.408 3.419 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@@H](OC)C1 ZINC000878565568 635557614 /nfs/dbraw/zinc/55/76/14/635557614.db2.gz PPPLZEYZUATVMM-FZNQNYSPSA-N 0 1 277.408 3.419 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@@H](OC)C1 ZINC000878565568 635557617 /nfs/dbraw/zinc/55/76/17/635557617.db2.gz PPPLZEYZUATVMM-FZNQNYSPSA-N 0 1 277.408 3.419 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CC2(CCC2)O1 ZINC000843433377 635674820 /nfs/dbraw/zinc/67/48/20/635674820.db2.gz ZGKLTXGYRGRAEE-SNVBAGLBSA-N 0 1 299.773 3.328 20 10 CGCDMN C[C@@H]1CN(Cc2c(O)cccc2Cl)CC2(CCC2)O1 ZINC000843432720 635675007 /nfs/dbraw/zinc/67/50/07/635675007.db2.gz OIZNJUYIADMNIU-LLVKDONJSA-N 0 1 281.783 3.189 20 10 CGCDMN C[C@@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCCS1 ZINC000127896720 635824091 /nfs/dbraw/zinc/82/40/91/635824091.db2.gz PHXRGYCVJVWOHW-ZDUSSCGKSA-N 0 1 271.813 3.421 20 10 CGCDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000844939171 635988859 /nfs/dbraw/zinc/98/88/59/635988859.db2.gz ZUMULYOYZFUCKZ-MRXNPFEDSA-N 0 1 299.370 3.354 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000846055539 636140035 /nfs/dbraw/zinc/14/00/35/636140035.db2.gz NDBQCTOLLGBGLE-UHFFFAOYSA-N 0 1 288.778 3.219 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CCC([C@@H](C)CO)CC2)c(Cl)c1 ZINC000846057814 636140045 /nfs/dbraw/zinc/14/00/45/636140045.db2.gz JSMVUXBDFSXRJD-LBPRGKRZSA-N 0 1 297.826 3.194 20 10 CGCDMN Cc1noc([C@@H](C)N(C)Cc2cc(Cl)c(F)cc2O)n1 ZINC000848926569 636699299 /nfs/dbraw/zinc/69/92/99/636699299.db2.gz ZRPFHHYKALTZHM-SSDOTTSWSA-N 0 1 299.733 3.069 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850369814 637032447 /nfs/dbraw/zinc/03/24/47/637032447.db2.gz BLLNEYLRGQLRJO-GDBMZVCRSA-N 0 1 289.762 3.314 20 10 CGCDMN CC1(C)[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)C1(F)F ZINC000850394597 637046330 /nfs/dbraw/zinc/04/63/30/637046330.db2.gz VVFBJGQLLKGELM-LLVKDONJSA-N 0 1 275.726 3.427 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000850543938 637116024 /nfs/dbraw/zinc/11/60/24/637116024.db2.gz BAUUFTCKQNLIPW-IUODEOHRSA-N 0 1 297.826 3.495 20 10 CGCDMN CC[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cc(Cl)ccc1[O-] ZINC000850547811 637116678 /nfs/dbraw/zinc/11/66/78/637116678.db2.gz XAHRUKPYLZRETM-AEGPPILISA-N 0 1 295.810 3.390 20 10 CGCDMN C[C@@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nccn1C ZINC000850571779 637128950 /nfs/dbraw/zinc/12/89/50/637128950.db2.gz AOOMZXZTIGOKDN-CKYFFXLPSA-N 0 1 289.354 3.164 20 10 CGCDMN Cc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109768864 637265674 /nfs/dbraw/zinc/26/56/74/637265674.db2.gz WSPQGGACMJJTSG-AWEZNQCLSA-N 0 1 298.386 3.160 20 10 CGCDMN CC[C@@H]([NH2+][C@H](C)CNC)c1cc(Cl)cc(Cl)c1[O-] ZINC000854231112 638029245 /nfs/dbraw/zinc/02/92/45/638029245.db2.gz DUPHHXARWLQTDT-PRHODGIISA-N 0 1 291.222 3.348 20 10 CGCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccnn1C1CCC1 ZINC000924900779 638422627 /nfs/dbraw/zinc/42/26/27/638422627.db2.gz PAQCTHFYWGDOKH-CYBMUJFWSA-N 0 1 297.402 3.394 20 10 CGCDMN C[C@@H]([NH2+]CCn1ccnc1)c1ccc2ccccc2c1[O-] ZINC000041119111 639900206 /nfs/dbraw/zinc/90/02/06/639900206.db2.gz DYANDBCWVIURQG-CYBMUJFWSA-N 0 1 281.359 3.093 20 10 CGCDMN CC[C@@H](C)C[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037323314 798866401 /nfs/dbraw/zinc/86/64/01/798866401.db2.gz NYFGUEVZYAJURX-SNVBAGLBSA-N 0 1 267.344 3.212 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])[C@@H]1C ZINC000380726793 799365835 /nfs/dbraw/zinc/36/58/35/799365835.db2.gz FWIKOHVJPIUNHQ-NXEZZACHSA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])[C@@H]1C ZINC000380726793 799365842 /nfs/dbraw/zinc/36/58/42/799365842.db2.gz FWIKOHVJPIUNHQ-NXEZZACHSA-N 0 1 284.197 3.385 20 10 CGCDMN COCCCC[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000397096260 799513414 /nfs/dbraw/zinc/51/34/14/799513414.db2.gz AUNYTLFPAZLMRT-UHFFFAOYSA-N 0 1 273.376 3.404 20 10 CGCDMN COCCCC[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000397096260 799513419 /nfs/dbraw/zinc/51/34/19/799513419.db2.gz AUNYTLFPAZLMRT-UHFFFAOYSA-N 0 1 273.376 3.404 20 10 CGCDMN CO[C@H](C)C[N@H+](Cc1cc(Cl)ccc1[O-])C(C)C ZINC000688097936 799745150 /nfs/dbraw/zinc/74/51/50/799745150.db2.gz ZHIFUWRPTUDEKN-LLVKDONJSA-N 0 1 271.788 3.291 20 10 CGCDMN CO[C@H](C)C[N@@H+](Cc1cc(Cl)ccc1[O-])C(C)C ZINC000688097936 799745152 /nfs/dbraw/zinc/74/51/52/799745152.db2.gz ZHIFUWRPTUDEKN-LLVKDONJSA-N 0 1 271.788 3.291 20 10 CGCDMN CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000693866748 799815878 /nfs/dbraw/zinc/81/58/78/799815878.db2.gz IFEBPJZOIIONTC-CYBMUJFWSA-N 0 1 282.815 3.008 20 10 CGCDMN Oc1c(CNc2ccc(F)cc2)ccc(F)c1F ZINC000700721617 799877957 /nfs/dbraw/zinc/87/79/57/799877957.db2.gz QMFOEKLYFMRKDN-UHFFFAOYSA-N 0 1 253.223 3.422 20 10 CGCDMN CCN(Cc1ccc(F)c(F)c1O)CC(F)(F)F ZINC000703633104 799927539 /nfs/dbraw/zinc/92/75/39/799927539.db2.gz MLTYKSYIGZGUON-UHFFFAOYSA-N 0 1 269.213 3.055 20 10 CGCDMN CCCO[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000706217051 799958872 /nfs/dbraw/zinc/95/88/72/799958872.db2.gz QAHOBPHRYXRJRB-NSHDSACASA-N 0 1 269.772 3.047 20 10 CGCDMN CCCO[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000706217051 799958875 /nfs/dbraw/zinc/95/88/75/799958875.db2.gz QAHOBPHRYXRJRB-NSHDSACASA-N 0 1 269.772 3.047 20 10 CGCDMN Oc1c(F)cc(F)cc1CN1Cc2ccccc2C1 ZINC000708385313 799986623 /nfs/dbraw/zinc/98/66/23/799986623.db2.gz RIHIXPKGKXRIDL-UHFFFAOYSA-N 0 1 261.271 3.186 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000708382648 799986735 /nfs/dbraw/zinc/98/67/35/799986735.db2.gz GNTVWRJDQIUIIU-QMTHXVAHSA-N 0 1 267.319 3.435 20 10 CGCDMN C[C@H]1CCCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708383668 799987004 /nfs/dbraw/zinc/98/70/04/799987004.db2.gz NEDZDJQSKASAJN-JTQLQIEISA-N 0 1 255.308 3.292 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000711839039 800074608 /nfs/dbraw/zinc/07/46/08/800074608.db2.gz DQQIRVDCKLWPJH-BLLLJJGKSA-N 0 1 295.810 3.340 20 10 CGCDMN Oc1ccccc1CNc1ccc2c(n1)CCCC2 ZINC000712371554 800085209 /nfs/dbraw/zinc/08/52/09/800085209.db2.gz PMVVETUPCCVOJZ-UHFFFAOYSA-N 0 1 254.333 3.278 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C2(C)CCCC2)c1[O-] ZINC000720385796 800257639 /nfs/dbraw/zinc/25/76/39/800257639.db2.gz LGLMPSPLFCAWJI-UHFFFAOYSA-N 0 1 279.355 3.498 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)c(Cl)c1 ZINC000850379416 800517959 /nfs/dbraw/zinc/51/79/59/800517959.db2.gz OEEYPMKYEKNGLM-NEPJUHHUSA-N 0 1 283.799 3.401 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000862384992 800527251 /nfs/dbraw/zinc/52/72/51/800527251.db2.gz NHURQVRGQBQXDE-GFCCVEGCSA-N 0 1 282.181 3.139 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H]1C1CC1 ZINC000862384992 800527257 /nfs/dbraw/zinc/52/72/57/800527257.db2.gz NHURQVRGQBQXDE-GFCCVEGCSA-N 0 1 282.181 3.139 20 10 CGCDMN C[C@@H](CN1CCCc2cc(O)c(O)cc2C1)C(F)(F)F ZINC001208892063 813884136 /nfs/dbraw/zinc/88/41/36/813884136.db2.gz NHYDJVOCIODBKJ-VIFPVBQESA-N 0 1 289.297 3.044 20 10 CGCDMN CC[N@@H+](Cc1[nH]c(C)cc1C)Cc1ccccc1O ZINC001137331120 803716360 /nfs/dbraw/zinc/71/63/60/803716360.db2.gz QFNAVIGWAGURRQ-UHFFFAOYSA-N 0 1 258.365 3.359 20 10 CGCDMN Cc1cc(CN2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccccc1 ZINC001137854141 803784027 /nfs/dbraw/zinc/78/40/27/803784027.db2.gz JVLSQURLMZWKGG-KDURUIRLSA-N 0 1 296.414 3.457 20 10 CGCDMN COc1cccc(CC[N@@H+](C)Cc2cccc(F)c2[O-])c1 ZINC001138128676 803862532 /nfs/dbraw/zinc/86/25/32/803862532.db2.gz UILZTBFOPYDLGK-UHFFFAOYSA-N 0 1 289.350 3.214 20 10 CGCDMN CC[N@H+](Cc1cccc(F)c1[O-])Cc1ccccc1O ZINC001138129868 803865437 /nfs/dbraw/zinc/86/54/37/803865437.db2.gz XIXYMSPETIFNNS-UHFFFAOYSA-N 0 1 275.323 3.259 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCOc2ccccc2C1 ZINC001139682724 804252198 /nfs/dbraw/zinc/25/21/98/804252198.db2.gz BIBOOMVAFVCXJY-UHFFFAOYSA-N 0 1 291.297 3.065 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCOc2ccccc2C1 ZINC001139682724 804252203 /nfs/dbraw/zinc/25/22/03/804252203.db2.gz BIBOOMVAFVCXJY-UHFFFAOYSA-N 0 1 291.297 3.065 20 10 CGCDMN Cc1ccc(C[N@@H+](C)Cc2c(F)ccc(F)c2[O-])cn1 ZINC001139686845 804255053 /nfs/dbraw/zinc/25/50/53/804255053.db2.gz GTQWPPICIPVVSC-UHFFFAOYSA-N 0 1 278.302 3.006 20 10 CGCDMN Cc1ccc(C[N@H+](C)Cc2c(F)ccc(F)c2[O-])cn1 ZINC001139686845 804255059 /nfs/dbraw/zinc/25/50/59/804255059.db2.gz GTQWPPICIPVVSC-UHFFFAOYSA-N 0 1 278.302 3.006 20 10 CGCDMN Oc1cccc(Cl)c1CN1CC2(C1)C[C@H](F)CS2 ZINC001140342064 804419852 /nfs/dbraw/zinc/41/98/52/804419852.db2.gz RMSSJYBRBNCCOF-VIFPVBQESA-N 0 1 287.787 3.075 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCC[C@]1(C)O ZINC001140462508 804440913 /nfs/dbraw/zinc/44/09/13/804440913.db2.gz HULZVEWXJYNIDI-NHYWBVRUSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])CCC[C@]1(C)O ZINC001140462508 804440918 /nfs/dbraw/zinc/44/09/18/804440918.db2.gz HULZVEWXJYNIDI-NHYWBVRUSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])CCC[C@]1(C)O ZINC001140462508 804440920 /nfs/dbraw/zinc/44/09/20/804440920.db2.gz HULZVEWXJYNIDI-NHYWBVRUSA-N 0 1 283.799 3.029 20 10 CGCDMN COC1(C)CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461075 804441562 /nfs/dbraw/zinc/44/15/62/804441562.db2.gz DICYZGMFNYXGCX-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)[C@@H](C)C1 ZINC001140583959 804468374 /nfs/dbraw/zinc/46/83/74/804468374.db2.gz ZUAPBYFIODSNIF-UWVGGRQHSA-N 0 1 255.308 3.291 20 10 CGCDMN COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C)cc1O ZINC001140950991 804557231 /nfs/dbraw/zinc/55/72/31/804557231.db2.gz RZQUQRVBXCLSQE-OAHLLOKOSA-N 0 1 263.381 3.090 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001142524666 804732327 /nfs/dbraw/zinc/73/23/27/804732327.db2.gz GBHNGFSYLWJDNY-MRVPVSSYSA-N 0 1 281.224 3.055 20 10 CGCDMN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142521043 804732433 /nfs/dbraw/zinc/73/24/33/804732433.db2.gz VFEPNVKNDXJPKT-VHSXEESVSA-N 0 1 255.308 3.291 20 10 CGCDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2CC[C@H](CO)C2)cc1Cl ZINC001248883464 805033405 /nfs/dbraw/zinc/03/34/05/805033405.db2.gz HYPMDOCVVZZJBK-NSHDSACASA-N 0 1 297.826 3.157 20 10 CGCDMN CC(C)(C)c1cc([O-])c(C[N@H+]2CC[C@H](CO)C2)cc1Cl ZINC001248883464 805033415 /nfs/dbraw/zinc/03/34/15/805033415.db2.gz HYPMDOCVVZZJBK-NSHDSACASA-N 0 1 297.826 3.157 20 10 CGCDMN Oc1cccc2c1C[N@H+]([C@H]1CCc3c(F)cccc3C1)CC2 ZINC001171442891 808058043 /nfs/dbraw/zinc/05/80/43/808058043.db2.gz UCBCJHZADMUIPJ-HNNXBMFYSA-N 0 1 297.373 3.447 20 10 CGCDMN Cc1ccc2[nH]ncc2c1Nc1cccc(O)c1O ZINC001175525837 809443560 /nfs/dbraw/zinc/44/35/60/809443560.db2.gz HRLFTEYDLXHEHD-UHFFFAOYSA-N 0 1 255.277 3.026 20 10 CGCDMN COc1cc(C)c(C[N@H+](C)[C@@H](C)C2(C)CC2)c([O-])c1 ZINC001179973536 809964869 /nfs/dbraw/zinc/96/48/69/809964869.db2.gz BXYHRXWNWBIXRU-LBPRGKRZSA-N 0 1 263.381 3.330 20 10 CGCDMN COc1cc(C)c(C[N@@H+](C)[C@@H](C)C2(C)CC2)c([O-])c1 ZINC001179973536 809964873 /nfs/dbraw/zinc/96/48/73/809964873.db2.gz BXYHRXWNWBIXRU-LBPRGKRZSA-N 0 1 263.381 3.330 20 10 CGCDMN CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001184206239 810182833 /nfs/dbraw/zinc/18/28/33/810182833.db2.gz JHFPLQNJMJIFJH-AWEZNQCLSA-N 0 1 284.831 3.112 20 10 CGCDMN Fc1cc(F)cc(-c2n[nH]c(Sc3nccs3)n2)c1 ZINC001185518078 810270614 /nfs/dbraw/zinc/27/06/14/810270614.db2.gz JBTQBQJKTNBSQA-UHFFFAOYSA-N 0 1 296.327 3.358 20 10 CGCDMN Cc1ncccc1C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC001203664644 812422053 /nfs/dbraw/zinc/42/20/53/812422053.db2.gz OWMUEZMDYXSEFT-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN Cc1ncccc1C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC001203664644 812422055 /nfs/dbraw/zinc/42/20/55/812422055.db2.gz OWMUEZMDYXSEFT-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN CN(C)c1ccc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)cc1 ZINC001203930548 812495125 /nfs/dbraw/zinc/49/51/25/812495125.db2.gz YIAYDIKBOGBNDQ-IAGOWNOFSA-N 0 1 286.419 3.086 20 10 CGCDMN C[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001204163722 812559820 /nfs/dbraw/zinc/55/98/20/812559820.db2.gz SWSLGPWJMZHQQB-UWVGGRQHSA-N 0 1 255.308 3.291 20 10 CGCDMN Oc1ccc(CN2CCc3cc(Cl)ccc3C2)c(O)c1 ZINC001204278304 812593659 /nfs/dbraw/zinc/59/36/59/812593659.db2.gz DGRLWWGRNKPJRZ-UHFFFAOYSA-N 0 1 289.762 3.310 20 10 CGCDMN COc1cc(CN(C)C/C=C/c2ccccc2)cc(O)c1O ZINC001204346099 812615642 /nfs/dbraw/zinc/61/56/42/812615642.db2.gz LDGKMPLJJOSPGT-RMKNXTFCSA-N 0 1 299.370 3.252 20 10 CGCDMN COc1cc(CN2CCC[C@H]2c2ccccc2)cc(O)c1O ZINC001204341390 812616781 /nfs/dbraw/zinc/61/67/81/812616781.db2.gz BJIVLAIJHMZQFQ-HNNXBMFYSA-N 0 1 299.370 3.444 20 10 CGCDMN [NH3+][C@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001205123922 812876202 /nfs/dbraw/zinc/87/62/02/812876202.db2.gz HIQLGNOKYONSJS-JTQLQIEISA-N 0 1 289.206 3.012 20 10 CGCDMN CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCOC(C)(C)C1 ZINC001207359814 813550915 /nfs/dbraw/zinc/55/09/15/813550915.db2.gz AXOSFUZNUIKZRJ-AWEZNQCLSA-N 0 1 277.408 3.419 20 10 CGCDMN CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCOC(C)(C)C1 ZINC001207359814 813550920 /nfs/dbraw/zinc/55/09/20/813550920.db2.gz AXOSFUZNUIKZRJ-AWEZNQCLSA-N 0 1 277.408 3.419 20 10 CGCDMN Cc1ccc(CNCc2c(F)cc(F)cc2F)c(O)c1 ZINC001207502479 813580082 /nfs/dbraw/zinc/58/00/82/813580082.db2.gz UZZNDZCYVCKGOA-UHFFFAOYSA-N 0 1 281.277 3.408 20 10 CGCDMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c(O)c1 ZINC001231447199 818101058 /nfs/dbraw/zinc/10/10/58/818101058.db2.gz PBUFKLDSXJHPIC-HNNXBMFYSA-N 0 1 297.354 3.080 20 10 CGCDMN O=C([O-])c1ccc(C[N@H+]2CCC3(C2)CCCCC3)c(O)c1 ZINC001231453978 818102526 /nfs/dbraw/zinc/10/25/26/818102526.db2.gz SFBSGVOQELMJCE-UHFFFAOYSA-N 0 1 289.375 3.247 20 10 CGCDMN O=C([O-])c1ccc(O)c(C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC001231566331 818124305 /nfs/dbraw/zinc/12/43/05/818124305.db2.gz YABHEDNQPUIDIG-UHFFFAOYSA-N 0 1 297.354 3.255 20 10 CGCDMN C[N@@H+](C/C=C/c1ccccc1)Cc1cc(C(=O)[O-])ccc1O ZINC001231566262 818124874 /nfs/dbraw/zinc/12/48/74/818124874.db2.gz VRCCKQNHDWWFIE-VMPITWQZSA-N 0 1 297.354 3.236 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2O)Cc2ccccc21 ZINC001231560224 818124957 /nfs/dbraw/zinc/12/49/57/818124957.db2.gz CRSRWEJMXZHKQE-LBPRGKRZSA-N 0 1 297.354 3.210 20 10 CGCDMN C[C@@H]1C[C@H](F)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231588832 818128877 /nfs/dbraw/zinc/12/88/77/818128877.db2.gz VTKSBWZDDVYMFW-YPMHNXCESA-N 0 1 259.324 3.478 20 10 CGCDMN C[C@@]1(O)CCCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231588134 818129609 /nfs/dbraw/zinc/12/96/09/818129609.db2.gz MTAFTYYHHPTRKA-GOSISDBHSA-N 0 1 285.387 3.282 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCO3)C2)cc1Cl ZINC001231870570 818193721 /nfs/dbraw/zinc/19/37/21/818193721.db2.gz JXAVDFVZUARRIB-OAHLLOKOSA-N 0 1 281.783 3.109 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]3(CCO3)C2)cc1Cl ZINC001231870570 818193725 /nfs/dbraw/zinc/19/37/25/818193725.db2.gz JXAVDFVZUARRIB-OAHLLOKOSA-N 0 1 281.783 3.109 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]23CCOC3)cc1Cl ZINC001231869916 818193822 /nfs/dbraw/zinc/19/38/22/818193822.db2.gz AGLIOXWNIYXOIT-HNNXBMFYSA-N 0 1 281.783 3.109 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]23CCOC3)cc1Cl ZINC001231869916 818193824 /nfs/dbraw/zinc/19/38/24/818193824.db2.gz AGLIOXWNIYXOIT-HNNXBMFYSA-N 0 1 281.783 3.109 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Cl ZINC001231870277 818194189 /nfs/dbraw/zinc/19/41/89/818194189.db2.gz RIFGTTJNJAMCSP-GAFUQQFSSA-N 0 1 269.747 3.286 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Cl ZINC001231870277 818194192 /nfs/dbraw/zinc/19/41/92/818194192.db2.gz RIFGTTJNJAMCSP-GAFUQQFSSA-N 0 1 269.747 3.286 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CCc2cccnc2)cc1Cl ZINC001231870687 818194286 /nfs/dbraw/zinc/19/42/86/818194286.db2.gz OJPLWGAUSHMNKX-UHFFFAOYSA-N 0 1 290.794 3.424 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CCc2cccnc2)cc1Cl ZINC001231870687 818194295 /nfs/dbraw/zinc/19/42/95/818194295.db2.gz OJPLWGAUSHMNKX-UHFFFAOYSA-N 0 1 290.794 3.424 20 10 CGCDMN COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)c(C)cc1[O-] ZINC001231870387 818194460 /nfs/dbraw/zinc/19/44/60/818194460.db2.gz XSNWJBUGTLMDCQ-PBWFPOADSA-N 0 1 295.810 3.496 20 10 CGCDMN COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)c(C)cc1[O-] ZINC001231870387 818194465 /nfs/dbraw/zinc/19/44/65/818194465.db2.gz XSNWJBUGTLMDCQ-PBWFPOADSA-N 0 1 295.810 3.496 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1Cl ZINC001231870051 818194771 /nfs/dbraw/zinc/19/47/71/818194771.db2.gz HLDFXIUCAXOWLK-CNDDSTCGSA-N 0 1 269.747 3.001 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1Cl ZINC001231870051 818194775 /nfs/dbraw/zinc/19/47/75/818194775.db2.gz HLDFXIUCAXOWLK-CNDDSTCGSA-N 0 1 269.747 3.001 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@]1(C)O ZINC001231879577 818199021 /nfs/dbraw/zinc/19/90/21/818199021.db2.gz JAWYBLKINQGSPJ-ACJLOTCBSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@]1(C)O ZINC001231879577 818199027 /nfs/dbraw/zinc/19/90/27/818199027.db2.gz JAWYBLKINQGSPJ-ACJLOTCBSA-N 0 1 285.387 3.138 20 10 CGCDMN Oc1c(C[N@H+]2CCC[C@@]23CCOC3)ccc2ccccc21 ZINC001231880252 818200148 /nfs/dbraw/zinc/20/01/48/818200148.db2.gz ANGAYCAEKWRPNF-SFHVURJKSA-N 0 1 283.371 3.300 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCC[C@@]23CCOC3)ccc2ccccc21 ZINC001231880252 818200152 /nfs/dbraw/zinc/20/01/52/818200152.db2.gz ANGAYCAEKWRPNF-SFHVURJKSA-N 0 1 283.371 3.300 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@]23CCOC3)ccc2ccccc21 ZINC001231880252 818200155 /nfs/dbraw/zinc/20/01/55/818200155.db2.gz ANGAYCAEKWRPNF-SFHVURJKSA-N 0 1 283.371 3.300 20 10 CGCDMN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1cccc(Cl)c1O ZINC001231912614 818212974 /nfs/dbraw/zinc/21/29/74/818212974.db2.gz RFFAUQGEQJCCIM-TXEJJXNPSA-N 0 1 279.767 3.132 20 10 CGCDMN COc1cc(Cl)cc(C[NH+]2CCC3(CC3)CC2)c1[O-] ZINC001233287827 818569819 /nfs/dbraw/zinc/56/98/19/818569819.db2.gz ISMKZUGQOXGDEW-UHFFFAOYSA-N 0 1 281.783 3.430 20 10 CGCDMN CC(C)[N@H+](Cc1c([O-])ccc(F)c1F)CC1CC1 ZINC001233334853 818584988 /nfs/dbraw/zinc/58/49/88/818584988.db2.gz WWBBVGWJAWUQDZ-UHFFFAOYSA-N 0 1 255.308 3.291 20 10 CGCDMN CC1(C)[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3O)C[C@@H]21 ZINC001233454806 818623060 /nfs/dbraw/zinc/62/30/60/818623060.db2.gz KQZQXKJCHHGVBA-TXEJJXNPSA-N 0 1 285.309 3.499 20 10 CGCDMN CC1(C)[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3[O-])C[C@@H]21 ZINC001233454806 818623065 /nfs/dbraw/zinc/62/30/65/818623065.db2.gz KQZQXKJCHHGVBA-TXEJJXNPSA-N 0 1 285.309 3.499 20 10 CGCDMN CC1(C)[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3[O-])C[C@@H]21 ZINC001233454806 818623070 /nfs/dbraw/zinc/62/30/70/818623070.db2.gz KQZQXKJCHHGVBA-TXEJJXNPSA-N 0 1 285.309 3.499 20 10 CGCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001233455782 818625748 /nfs/dbraw/zinc/62/57/48/818625748.db2.gz YKGFPDUMUFMITP-JOYOIKCWSA-N 0 1 271.282 3.395 20 10 CGCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001233455782 818625745 /nfs/dbraw/zinc/62/57/45/818625745.db2.gz YKGFPDUMUFMITP-JOYOIKCWSA-N 0 1 271.282 3.395 20 10 CGCDMN COc1ccc2ccc(O)c(CN(C)Cc3ccno3)c2c1 ZINC001234570044 818882734 /nfs/dbraw/zinc/88/27/34/818882734.db2.gz WJLPXKNMMIYHMK-UHFFFAOYSA-N 0 1 298.342 3.174 20 10 CGCDMN C[C@H]1CN(Cc2cccc(-c3ccccc3)c2O)CCC1=O ZINC001234992555 818969154 /nfs/dbraw/zinc/96/91/54/818969154.db2.gz PQFKXVFONUQZEW-AWEZNQCLSA-N 0 1 295.382 3.470 20 10 CGCDMN CCC[N@@H+](C)Cc1cc(F)cc(Br)c1[O-] ZINC001235297607 819063625 /nfs/dbraw/zinc/06/36/25/819063625.db2.gz OFSBEDHZUVSFCI-UHFFFAOYSA-N 0 1 276.149 3.136 20 10 CGCDMN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001236790571 819595630 /nfs/dbraw/zinc/59/56/30/819595630.db2.gz QGPRDLPODLIABK-DGCLKSJQSA-N 0 1 288.174 3.062 20 10 CGCDMN CC(=O)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236831160 819611689 /nfs/dbraw/zinc/61/16/89/819611689.db2.gz FPKABNMZHXWUGY-MRXNPFEDSA-N 0 1 283.371 3.346 20 10 CGCDMN Oc1cc2ccccc2cc1C[N@H+]1CCc2ncccc2C1 ZINC001236841639 819618438 /nfs/dbraw/zinc/61/84/38/819618438.db2.gz NMGXVOXCCOABBT-UHFFFAOYSA-N 0 1 290.366 3.499 20 10 CGCDMN Oc1cc2ccccc2cc1CN1CCn2cccc2C1 ZINC001236842550 819619265 /nfs/dbraw/zinc/61/92/65/819619265.db2.gz XKNDWMBEFLARJF-UHFFFAOYSA-N 0 1 278.355 3.363 20 10 CGCDMN CCOc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c(O)c1 ZINC001237041952 819649136 /nfs/dbraw/zinc/64/91/36/819649136.db2.gz BDIDZJPXWKAMFS-CHWSQXEVSA-N 0 1 263.381 3.411 20 10 CGCDMN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237119037 819671434 /nfs/dbraw/zinc/67/14/34/819671434.db2.gz ADBIHQGPEJNWPD-SECBINFHSA-N 0 1 257.736 3.417 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237119037 819671438 /nfs/dbraw/zinc/67/14/38/819671438.db2.gz ADBIHQGPEJNWPD-SECBINFHSA-N 0 1 257.736 3.417 20 10 CGCDMN Cc1cc(O)c(CN2CC3(CCC3)C2)cc1Br ZINC001237681886 819806515 /nfs/dbraw/zinc/80/65/15/819806515.db2.gz TXZNTLQVVZAFMV-UHFFFAOYSA-N 0 1 296.208 3.449 20 10 CGCDMN C[C@]1(CF)CC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237809046 819847237 /nfs/dbraw/zinc/84/72/37/819847237.db2.gz YTMIJLIPOKXWOD-CYBMUJFWSA-N 0 1 275.726 3.366 20 10 CGCDMN Cc1cnc(CN2CCCc3cc(O)c(O)cc3C2)c(C)c1 ZINC001238434555 819996966 /nfs/dbraw/zinc/99/69/66/819996966.db2.gz FDNAHNSKWPKUEG-UHFFFAOYSA-N 0 1 298.386 3.058 20 10 CGCDMN Oc1cccc2c1C[N@@H+](CCc1ccc(F)cc1)C2 ZINC001355333509 937137172 /nfs/dbraw/zinc/13/71/72/937137172.db2.gz QKSOAXGSEXGPME-UHFFFAOYSA-N 0 1 257.308 3.090 20 10 CGCDMN Cc1ccccc1[C@H]1CN(Cc2ccc(N)cc2)CCO1 ZINC001356083663 937152867 /nfs/dbraw/zinc/15/28/67/937152867.db2.gz XCNKYVAWBRNMLM-GOSISDBHSA-N 0 1 282.387 3.151 20 10 CGCDMN CC(C)c1ccc(O)c(CN2CCO[C@@H](C)[C@H]2C)c1 ZINC001461959997 937609453 /nfs/dbraw/zinc/60/94/53/937609453.db2.gz LYIJTYDPVMULHW-OLZOCXBDSA-N 0 1 263.381 3.125 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH+]1CC(Cc2ccco2)C1 ZINC001462426158 937640271 /nfs/dbraw/zinc/64/02/71/937640271.db2.gz 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/nfs/dbraw/zinc/73/78/45/523737845.db2.gz LIMRYHJTKYUEGD-OAHLLOKOSA-N 0 1 283.799 3.030 20 10 CGCDMN C[C@@H](CF)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000288354625 524559605 /nfs/dbraw/zinc/55/96/05/524559605.db2.gz CLBJLWKTVSHRRI-VIFPVBQESA-N 0 1 278.293 3.219 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc2ccccc2c1[O-] ZINC000097435906 525472832 /nfs/dbraw/zinc/47/28/32/525472832.db2.gz JYGOSWYTKZQXJX-QWHCGFSZSA-N 0 1 273.376 3.215 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCCSC1 ZINC000288486831 526364045 /nfs/dbraw/zinc/36/40/45/526364045.db2.gz QLFXUNOIRYSXTL-SNVBAGLBSA-N 0 1 271.813 3.278 20 10 CGCDMN C[C@H]1C[C@H](C)[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000740857871 571885594 /nfs/dbraw/zinc/88/55/94/571885594.db2.gz BAKBAWYDGXENMS-RYUDHWBXSA-N 0 1 256.349 3.171 20 10 CGCDMN C[C@H]1C[C@H](C)[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000740857871 571885596 /nfs/dbraw/zinc/88/55/96/571885596.db2.gz BAKBAWYDGXENMS-RYUDHWBXSA-N 0 1 256.349 3.171 20 10 CGCDMN CC(C)(O)CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000749791072 573039682 /nfs/dbraw/zinc/03/96/82/573039682.db2.gz SROYCYIVSSNUFI-UHFFFAOYSA-N 0 1 277.408 3.298 20 10 CGCDMN CC(C)(O)CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000749791072 573039688 /nfs/dbraw/zinc/03/96/88/573039688.db2.gz SROYCYIVSSNUFI-UHFFFAOYSA-N 0 1 277.408 3.298 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CC[C@@H]1C(F)F ZINC000895432614 619825438 /nfs/dbraw/zinc/82/54/38/619825438.db2.gz OYACAUICQUJXJW-SECBINFHSA-N 0 1 265.662 3.024 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000829497104 604769911 /nfs/dbraw/zinc/76/99/11/604769911.db2.gz WPKVPAZZEYGFLW-QGZVFWFLSA-N 0 1 299.370 3.430 20 10 CGCDMN CN(C)c1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000070262741 617951211 /nfs/dbraw/zinc/95/12/11/617951211.db2.gz ALWZHAOGGMSYPG-UHFFFAOYSA-N 0 1 255.296 3.435 20 10 CGCDMN COc1ccccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000083551127 618009572 /nfs/dbraw/zinc/00/95/72/618009572.db2.gz KTVHFKXVNHGGHD-UHFFFAOYSA-N 0 1 277.751 3.344 20 10 CGCDMN O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000050015535 618649267 /nfs/dbraw/zinc/64/92/67/618649267.db2.gz SDKAKOMOAZETQG-UHFFFAOYSA-N 0 1 292.722 3.244 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(C)nc2)c(Cl)c1 ZINC000840879707 618805228 /nfs/dbraw/zinc/80/52/28/618805228.db2.gz HAGWNDFPMSSODM-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN CSC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000093761047 619214763 /nfs/dbraw/zinc/21/47/63/619214763.db2.gz GBDCKWZIFVZITN-GFCCVEGCSA-N 0 1 271.813 3.373 20 10 CGCDMN CSC[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000093761047 619214766 /nfs/dbraw/zinc/21/47/66/619214766.db2.gz GBDCKWZIFVZITN-GFCCVEGCSA-N 0 1 271.813 3.373 20 10 CGCDMN Cc1ccc(CN(C)Cc2ccc(N(C)C)cc2C)nc1 ZINC000840942134 619237052 /nfs/dbraw/zinc/23/70/52/619237052.db2.gz TUKFYSDHAPJDAR-UHFFFAOYSA-N 0 1 283.419 3.396 20 10 CGCDMN [O-]c1c(C[NH2+][C@H]2CCC[C@H](CO)C2)ccc2ccccc21 ZINC000840980378 619310975 /nfs/dbraw/zinc/31/09/75/619310975.db2.gz YHQGITYQHFQEFQ-BBRMVZONSA-N 0 1 285.387 3.186 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC2(CCC2)C1 ZINC000894031319 619352726 /nfs/dbraw/zinc/35/27/26/619352726.db2.gz VHBYPNGZPNYRJL-UHFFFAOYSA-N 0 1 253.292 3.046 20 10 CGCDMN COc1cc(C)cc(CN[C@H](C)c2nc(C)cs2)c1O ZINC000894217838 619428347 /nfs/dbraw/zinc/42/83/47/619428347.db2.gz FHXABLXDDLAANB-LLVKDONJSA-N 0 1 292.404 3.325 20 10 CGCDMN Cc1cc(O)c(CN2CC(C(F)(F)F)C2)cc1C ZINC000894891725 619670171 /nfs/dbraw/zinc/67/01/71/619670171.db2.gz DYITUJXATGSOGC-UHFFFAOYSA-N 0 1 259.271 3.003 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000895543952 619846011 /nfs/dbraw/zinc/84/60/11/619846011.db2.gz HOOFQLQAQDEXSF-VIFPVBQESA-N 0 1 275.726 3.366 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](CF)C2)cc1Cl ZINC000895568040 619854020 /nfs/dbraw/zinc/85/40/20/619854020.db2.gz LPGLSTNTLQRRJJ-SNVBAGLBSA-N 0 1 257.736 3.145 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](CF)C2)cc1Cl ZINC000895568040 619854021 /nfs/dbraw/zinc/85/40/21/619854021.db2.gz LPGLSTNTLQRRJJ-SNVBAGLBSA-N 0 1 257.736 3.145 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000797905015 620238356 /nfs/dbraw/zinc/23/83/56/620238356.db2.gz TYJUDJFOLVPEOK-QWHCGFSZSA-N 0 1 296.208 3.433 20 10 CGCDMN COc1ncccc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745645 620351758 /nfs/dbraw/zinc/35/17/58/620351758.db2.gz RRYZZVAHCCEHRI-SNVBAGLBSA-N 0 1 292.766 3.300 20 10 CGCDMN C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(Cl)cc1[O-] ZINC000841751617 620375149 /nfs/dbraw/zinc/37/51/49/620375149.db2.gz IFWBSPVWRXPDPU-MFKMUULPSA-N 0 1 283.799 3.247 20 10 CGCDMN C[C@H](NCc1ccc2c(c1)CCCO2)c1cncs1 ZINC000897929291 620449841 /nfs/dbraw/zinc/44/98/41/620449841.db2.gz PPYAJIDLKGKCOC-NSHDSACASA-N 0 1 274.389 3.319 20 10 CGCDMN C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1cc(Cl)ccc1[O-] ZINC000903275260 621659165 /nfs/dbraw/zinc/65/91/65/621659165.db2.gz YMQQKOCWUFBVEX-SNVBAGLBSA-N 0 1 297.761 3.062 20 10 CGCDMN CC[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cc(Cl)ccc1[O-] ZINC000903406197 621729645 /nfs/dbraw/zinc/72/96/45/621729645.db2.gz HIFBYHMPDRUOOI-ZIAGYGMSSA-N 0 1 283.799 3.247 20 10 CGCDMN CC(C)[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163754643 622800006 /nfs/dbraw/zinc/80/00/06/622800006.db2.gz RLNGEZGBVGYMJQ-SECBINFHSA-N 0 1 272.186 3.289 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000045628815 622875856 /nfs/dbraw/zinc/87/58/56/622875856.db2.gz RKOIDAUZIGOVNR-LLVKDONJSA-N 0 1 251.757 3.492 20 10 CGCDMN CC1(C)CN(Cc2cc(Cl)ccc2O)CC(C)(C)O1 ZINC000226455357 622971972 /nfs/dbraw/zinc/97/19/72/622971972.db2.gz WZPIUZHWTMRBDN-UHFFFAOYSA-N 0 1 283.799 3.435 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cccc2c1OCO2 ZINC000083552099 625645569 /nfs/dbraw/zinc/64/55/69/625645569.db2.gz CLIPGUBLAKOXBK-UHFFFAOYSA-N 0 1 291.734 3.064 20 10 CGCDMN Oc1cccc(Cl)c1CNCc1cccc2c1OCO2 ZINC000083552099 625645599 /nfs/dbraw/zinc/64/55/99/625645599.db2.gz CLIPGUBLAKOXBK-UHFFFAOYSA-N 0 1 291.734 3.064 20 10 CGCDMN COc1ccc(O)c(CN(C)Cc2ccccc2OC)c1 ZINC000179559545 624666702 /nfs/dbraw/zinc/66/67/02/624666702.db2.gz SZVSDFTVQIPYQP-UHFFFAOYSA-N 0 1 287.359 3.041 20 10 CGCDMN CCOc1ccc(O)c(CN[C@@H](C)c2nc(C)cs2)c1 ZINC000069168215 624801636 /nfs/dbraw/zinc/80/16/36/624801636.db2.gz IFHDMHFFAZSKBY-NSHDSACASA-N 0 1 292.404 3.407 20 10 CGCDMN Cc1noc(C)c1CN(C)Cc1cc2c(cc1O)CCC2 ZINC000073587274 625799605 /nfs/dbraw/zinc/79/96/05/625799605.db2.gz OSSUFXIDAVZEMA-UHFFFAOYSA-N 0 1 286.375 3.118 20 10 CGCDMN Clc1ccc(CNCc2ccc3c(c2)CCCO3)nc1 ZINC000921966143 625947807 /nfs/dbraw/zinc/94/78/07/625947807.db2.gz VQVKYKKLCLYIIU-UHFFFAOYSA-N 0 1 288.778 3.350 20 10 CGCDMN C[C@H]([NH2+]C[C@]1(C)CCOC1)c1cc(Cl)ccc1[O-] ZINC000756572790 626096894 /nfs/dbraw/zinc/09/68/94/626096894.db2.gz ILINRZLXZQJWKG-HZMBPMFUSA-N 0 1 269.772 3.123 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000923028090 626119770 /nfs/dbraw/zinc/11/97/70/626119770.db2.gz TXDIIKSCVQIXFH-CQSZACIVSA-N 0 1 281.783 3.237 20 10 CGCDMN Cc1cc(N(C)C)ccc1CNCc1ccc2c(n1)CCC2 ZINC000838953463 626282306 /nfs/dbraw/zinc/28/23/06/626282306.db2.gz YGXGPXOHDVVAMT-UHFFFAOYSA-N 0 1 295.430 3.235 20 10 CGCDMN COCC1(C)C[NH+](Cc2ccc3ccccc3c2[O-])C1 ZINC000839143892 626323796 /nfs/dbraw/zinc/32/37/96/626323796.db2.gz PNWKSQDTBTZVJB-UHFFFAOYSA-N 0 1 271.360 3.014 20 10 CGCDMN Cc1ccc([C@H](C)NCc2cscn2)c(O)c1C ZINC000756507066 626710704 /nfs/dbraw/zinc/71/07/04/626710704.db2.gz ADFQTYPWFWGRGY-NSHDSACASA-N 0 1 262.378 3.316 20 10 CGCDMN Cc1ccn2cc(CN[C@H](C)c3cc(F)ccc3O)nc2c1 ZINC000756532351 626712542 /nfs/dbraw/zinc/71/25/42/626712542.db2.gz DQJJDOQVIAMTEJ-GFCCVEGCSA-N 0 1 299.349 3.338 20 10 CGCDMN CCc1cc(CN[C@H](C)c2cc(C)ccc2O)on1 ZINC000756603490 626719790 /nfs/dbraw/zinc/71/97/90/626719790.db2.gz CNEZTKCZYCXJCM-LLVKDONJSA-N 0 1 260.337 3.102 20 10 CGCDMN Cc1ccc([C@@H](C)NCc2csc(N(C)C)n2)c(O)c1 ZINC000756636536 626722886 /nfs/dbraw/zinc/72/28/86/626722886.db2.gz KFKKPPKSUKBECN-LLVKDONJSA-N 0 1 291.420 3.074 20 10 CGCDMN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C1CCOCC1 ZINC000756656372 626725154 /nfs/dbraw/zinc/72/51/54/626725154.db2.gz WQHSSSVVCJGJAE-GYSYKLTISA-N 0 1 293.382 3.484 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]CC(C)(C)CCCO)c2c1c(F)ccc2[O-] ZINC000756665424 626726090 /nfs/dbraw/zinc/72/60/90/626726090.db2.gz WKBFIPDTVIGQCA-AAEUAGOBSA-N 0 1 295.398 3.468 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]CC2(C)CCOCC2)c2c1c(F)ccc2[O-] ZINC000756747591 626729035 /nfs/dbraw/zinc/72/90/35/626729035.db2.gz RMVZCQIUZCZSIS-WCQYABFASA-N 0 1 293.382 3.486 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc(Cl)ccc1[O-] ZINC000756776755 626731526 /nfs/dbraw/zinc/73/15/26/626731526.db2.gz RBOQLRCUSBOOEA-DTWKUNHWSA-N 0 1 265.744 3.181 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000756781391 626731724 /nfs/dbraw/zinc/73/17/24/626731724.db2.gz CPTDDNCISBZLIP-JFGNBEQYSA-N 0 1 269.772 3.264 20 10 CGCDMN Cc1cc[nH+]c(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756794781 626733222 /nfs/dbraw/zinc/73/32/22/626733222.db2.gz CEGMJARMKNQHEG-JTQLQIEISA-N 0 1 273.292 3.177 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000761224792 627027400 /nfs/dbraw/zinc/02/74/00/627027400.db2.gz AJLKJHXFGAQROT-UHFFFAOYSA-N 0 1 281.783 3.048 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCOCC2(CCC2)C1 ZINC000761224792 627027403 /nfs/dbraw/zinc/02/74/03/627027403.db2.gz AJLKJHXFGAQROT-UHFFFAOYSA-N 0 1 281.783 3.048 20 10 CGCDMN COc1cccc(CN(C)Cc2c(O)cccc2OC)c1 ZINC000768162347 627464950 /nfs/dbraw/zinc/46/49/50/627464950.db2.gz CCPXASHNOYJCDT-UHFFFAOYSA-N 0 1 287.359 3.041 20 10 CGCDMN COc1cc(CN2CCOc3ccccc3C2)c(O)cc1C ZINC000768443237 627480875 /nfs/dbraw/zinc/48/08/75/627480875.db2.gz RVPILGAMVFRPJP-UHFFFAOYSA-N 0 1 299.370 3.104 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCOC1 ZINC000768531125 627484428 /nfs/dbraw/zinc/48/44/28/627484428.db2.gz WEYOPSTYKVJOBR-AWEZNQCLSA-N 0 1 263.381 3.031 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCOC1 ZINC000768531125 627484429 /nfs/dbraw/zinc/48/44/29/627484429.db2.gz WEYOPSTYKVJOBR-AWEZNQCLSA-N 0 1 263.381 3.031 20 10 CGCDMN CCOc1ccc(O)c(CN2CCc3ccc(O)cc3C2)c1 ZINC000768868673 627504877 /nfs/dbraw/zinc/50/48/77/627504877.db2.gz PPCFSTNOBCMJAX-UHFFFAOYSA-N 0 1 299.370 3.055 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000769315878 627539938 /nfs/dbraw/zinc/53/99/38/627539938.db2.gz XAJFEHWFIZTIBL-HNNXBMFYSA-N 0 1 263.381 3.411 20 10 CGCDMN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000769315878 627539941 /nfs/dbraw/zinc/53/99/41/627539941.db2.gz XAJFEHWFIZTIBL-HNNXBMFYSA-N 0 1 263.381 3.411 20 10 CGCDMN C[C@@H]1SCCN(Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000769446243 627552807 /nfs/dbraw/zinc/55/28/07/627552807.db2.gz LAZWJSBXBOLHCV-RYUDHWBXSA-N 0 1 282.428 3.218 20 10 CGCDMN C[N@H+](Cc1cccc(O)c1)Cc1cc(Cl)ccc1[O-] ZINC000771934717 627746493 /nfs/dbraw/zinc/74/64/93/627746493.db2.gz CSSTZAGQNBSOCH-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN C[N@@H+](Cc1cccc(O)c1)Cc1cc(Cl)ccc1[O-] ZINC000771934717 627746497 /nfs/dbraw/zinc/74/64/97/627746497.db2.gz CSSTZAGQNBSOCH-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN CCN(C)c1ccc(CN[C@H](C)c2ccccn2)cc1 ZINC000773842570 627920366 /nfs/dbraw/zinc/92/03/66/627920366.db2.gz VXKJPCHNLDFXBL-CQSZACIVSA-N 0 1 269.392 3.389 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](C)C[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000775510273 628102707 /nfs/dbraw/zinc/10/27/07/628102707.db2.gz ZKSKMBZGFUORCB-SUNKGSAMSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@@H]([NH2+]CCc1cnccn1)c1cc(Cl)ccc1[O-] ZINC000775531952 628103856 /nfs/dbraw/zinc/10/38/56/628103856.db2.gz PUKJOZURIACQHX-CQSZACIVSA-N 0 1 291.782 3.119 20 10 CGCDMN CC[C@H]([NH2+]CCC[C@@H](C)CO)c1cc(Cl)ccc1[O-] ZINC000775527377 628104228 /nfs/dbraw/zinc/10/42/28/628104228.db2.gz WOOOIYIKSMYDKQ-RISCZKNCSA-N 0 1 285.815 3.495 20 10 CGCDMN C[C@H](C1CC1)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775650615 628120204 /nfs/dbraw/zinc/12/02/04/628120204.db2.gz SLQGCFBPFYGHID-MRVPVSSYSA-N 0 1 257.736 3.415 20 10 CGCDMN CC1(C)[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]21 ZINC000775717801 628129062 /nfs/dbraw/zinc/12/90/62/628129062.db2.gz KFUXUCQHFLPCRW-PHIMTYICSA-N 0 1 269.747 3.273 20 10 CGCDMN CC[C@]1(C)COCCN1Cc1cc(Cl)cc(F)c1O ZINC000775982220 628156083 /nfs/dbraw/zinc/15/60/83/628156083.db2.gz ZLKLBEDCANXVQR-CQSZACIVSA-N 0 1 287.762 3.186 20 10 CGCDMN CO[C@H](C[NH2+]Cc1c([O-])cccc1Cl)C(C)(C)C ZINC000776219316 628181580 /nfs/dbraw/zinc/18/15/80/628181580.db2.gz FJQDLFHZTPSPTM-CYBMUJFWSA-N 0 1 271.788 3.196 20 10 CGCDMN C[C@@H](CCO)C1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000776258075 628186259 /nfs/dbraw/zinc/18/62/59/628186259.db2.gz QADSPEKGIWHGKH-LBPRGKRZSA-N 0 1 297.826 3.324 20 10 CGCDMN C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C[C@@H]1F ZINC000779151359 628390625 /nfs/dbraw/zinc/39/06/25/628390625.db2.gz XJIVCCHYTSXYTQ-PELKAZGASA-N 0 1 275.726 3.365 20 10 CGCDMN C[C@H]1COc2ccccc2CN1Cc1cc(F)ccc1O ZINC000783597164 628730638 /nfs/dbraw/zinc/73/06/38/628730638.db2.gz KAYMWJNAYBYBOD-LBPRGKRZSA-N 0 1 287.334 3.314 20 10 CGCDMN CC[C@H]([NH2+]CCC[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000788604851 629067565 /nfs/dbraw/zinc/06/75/65/629067565.db2.gz MWFDSPIGRYZNSD-GWCFXTLKSA-N 0 1 271.788 3.247 20 10 CGCDMN C[C@@H]1N(Cc2c(O)ccc(Cl)c2F)CCOC1(C)C ZINC000792165428 629342884 /nfs/dbraw/zinc/34/28/84/629342884.db2.gz GBPHIXKZGFJWCQ-VIFPVBQESA-N 0 1 287.762 3.184 20 10 CGCDMN CC(C)N(Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCOC1 ZINC000862372728 629355917 /nfs/dbraw/zinc/35/59/17/629355917.db2.gz RPHSWZOEUHDIOV-CYBMUJFWSA-N 0 1 298.377 3.030 20 10 CGCDMN Cc1ccc(O)c(CNc2ccnc(C)c2Cl)c1 ZINC000792688529 629375172 /nfs/dbraw/zinc/37/51/72/629375172.db2.gz GZLISDCXCSAMRJ-UHFFFAOYSA-N 0 1 262.740 3.091 20 10 CGCDMN COc1ccc(CNCc2cc(F)c(F)cc2F)c(O)c1 ZINC000793386391 629452792 /nfs/dbraw/zinc/45/27/92/629452792.db2.gz OSMMDDGNMLUTND-UHFFFAOYSA-N 0 1 297.276 3.108 20 10 CGCDMN Cc1ccc(CNCc2ccc3c(c2)CCO3)c(F)c1 ZINC000865440210 630125690 /nfs/dbraw/zinc/12/56/90/630125690.db2.gz DYPSXKGRWHNMAQ-UHFFFAOYSA-N 0 1 271.335 3.359 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000800890640 630309193 /nfs/dbraw/zinc/30/91/93/630309193.db2.gz MJMBNWLLWUTIBM-BIMULSAOSA-N 0 1 251.757 3.324 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](C)CN(C)C)c1cc(Cl)ccc1[O-] ZINC000806170455 630553113 /nfs/dbraw/zinc/55/31/13/630553113.db2.gz UEIJTRSMNSCLMC-GXFFZTMASA-N 0 1 270.804 3.036 20 10 CGCDMN Oc1cc2c(cc1CNc1cc3c(cn1)CCCC3)OCO2 ZINC000812781819 631307128 /nfs/dbraw/zinc/30/71/28/631307128.db2.gz HFLDFEHAXWYHSE-UHFFFAOYSA-N 0 1 298.342 3.007 20 10 CGCDMN Cc1ccc(CN2CCn3cccc3[C@@H]2C)c(O)c1 ZINC000876531519 634852266 /nfs/dbraw/zinc/85/22/66/634852266.db2.gz IIUYWGQQDZLNSI-ZDUSSCGKSA-N 0 1 256.349 3.079 20 10 CGCDMN COc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC000876532182 634852334 /nfs/dbraw/zinc/85/23/34/634852334.db2.gz ZANDRHSPCGQNHE-UHFFFAOYSA-N 0 1 293.313 3.311 20 10 CGCDMN CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1(CO)CCC1 ZINC000814169634 631537183 /nfs/dbraw/zinc/53/71/83/631537183.db2.gz LEQQOWAGURIJNI-OAHLLOKOSA-N 0 1 297.826 3.322 20 10 CGCDMN CC[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@H](C)O1 ZINC000815046790 631706188 /nfs/dbraw/zinc/70/61/88/631706188.db2.gz FXOKVVYMPJDCHT-GOEBONIOSA-N 0 1 276.424 3.060 20 10 CGCDMN C[C@H]1COCCC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816514046 631999759 /nfs/dbraw/zinc/99/97/59/631999759.db2.gz KQJFQDLTYMZTDM-ZDUSSCGKSA-N 0 1 271.360 3.156 20 10 CGCDMN C[C@H]1COCCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816514046 631999761 /nfs/dbraw/zinc/99/97/61/631999761.db2.gz KQJFQDLTYMZTDM-ZDUSSCGKSA-N 0 1 271.360 3.156 20 10 CGCDMN C[C@H]1COCCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816514046 631999762 /nfs/dbraw/zinc/99/97/62/631999762.db2.gz KQJFQDLTYMZTDM-ZDUSSCGKSA-N 0 1 271.360 3.156 20 10 CGCDMN CC[C@H](O)CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552319 632009964 /nfs/dbraw/zinc/00/99/64/632009964.db2.gz IPXSQVDZHODDFN-HNNXBMFYSA-N 0 1 273.376 3.186 20 10 CGCDMN CO[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])C(C)C ZINC000816553675 632010057 /nfs/dbraw/zinc/01/00/57/632010057.db2.gz DDANUXHWSHMGCQ-MRXNPFEDSA-N 0 1 273.376 3.306 20 10 CGCDMN CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816595065 632018927 /nfs/dbraw/zinc/01/89/27/632018927.db2.gz YDOPYARTXHNSTL-AWEZNQCLSA-N 0 1 287.762 3.186 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cc(F)ccc1[O-] ZINC000866529870 633174136 /nfs/dbraw/zinc/17/41/36/633174136.db2.gz SYTHTLCSUHMSON-QWHCGFSZSA-N 0 1 293.382 3.389 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000866616129 633215839 /nfs/dbraw/zinc/21/58/39/633215839.db2.gz YRUOERBEPAIKNP-ZJUUUORDSA-N 0 1 279.771 3.191 20 10 CGCDMN C[C@@H](C1CC1)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824567712 633259650 /nfs/dbraw/zinc/25/96/50/633259650.db2.gz UQZOWZJIFOFCDX-VIFPVBQESA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824567712 633259652 /nfs/dbraw/zinc/25/96/52/633259652.db2.gz UQZOWZJIFOFCDX-VIFPVBQESA-N 0 1 284.197 3.385 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCSC2)cc1Cl ZINC000824556398 633259750 /nfs/dbraw/zinc/25/97/50/633259750.db2.gz RGVKLLQIAIBVBU-LLVKDONJSA-N 0 1 271.813 3.291 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCSC2)cc1Cl ZINC000824556398 633259754 /nfs/dbraw/zinc/25/97/54/633259754.db2.gz RGVKLLQIAIBVBU-LLVKDONJSA-N 0 1 271.813 3.291 20 10 CGCDMN CC1=CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824829665 633296231 /nfs/dbraw/zinc/29/62/31/633296231.db2.gz KAVHRABZXCDJQX-UHFFFAOYSA-N 0 1 282.181 3.307 20 10 CGCDMN CCn1ccnc1[C@@H](C)NCc1cc(Cl)cc(C)c1O ZINC000825005261 633316805 /nfs/dbraw/zinc/31/68/05/633316805.db2.gz FYFBHRCWUDEBBJ-LLVKDONJSA-N 0 1 293.798 3.421 20 10 CGCDMN CCc1ncc(CNCc2ccc(N(CC)CC)cc2)o1 ZINC000825079251 633325927 /nfs/dbraw/zinc/32/59/27/633325927.db2.gz PEUMUGMJLVBXKS-UHFFFAOYSA-N 0 1 287.407 3.373 20 10 CGCDMN CC(C)(C[NH2+]Cc1cc(Cl)ccc1[O-])C1(O)CCCC1 ZINC000825232101 633338007 /nfs/dbraw/zinc/33/80/07/633338007.db2.gz PUVLMNNBNQDHTG-UHFFFAOYSA-N 0 1 297.826 3.467 20 10 CGCDMN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825267442 633341008 /nfs/dbraw/zinc/34/10/08/633341008.db2.gz STICWFVMOHMSIC-IAQYHMDHSA-N 0 1 285.815 3.241 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cc1Cl ZINC000825354746 633348735 /nfs/dbraw/zinc/34/87/35/633348735.db2.gz YUTUYHJIHCMULX-YPMHNXCESA-N 0 1 294.826 3.069 20 10 CGCDMN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825406666 633352909 /nfs/dbraw/zinc/35/29/09/633352909.db2.gz WQRIOCHAFALSRV-XHDPSFHLSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])ccn1 ZINC000826036360 633399595 /nfs/dbraw/zinc/39/95/95/633399595.db2.gz HCCLVLKDDGQZOV-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H](O)C(C)C ZINC000826121236 633406226 /nfs/dbraw/zinc/40/62/26/633406226.db2.gz NXBILHISRXSGFA-ZFWWWQNUSA-N 0 1 285.815 3.239 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CS[C@@H](C)C2)cc1Cl ZINC000826120274 633406293 /nfs/dbraw/zinc/40/62/93/633406293.db2.gz ARGLVNQWFSDIBB-ONGXEEELSA-N 0 1 271.813 3.338 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1Cl ZINC000827017806 633448920 /nfs/dbraw/zinc/44/89/20/633448920.db2.gz LPBUKIWAYTYBMH-IYBDPMFKSA-N 0 1 295.810 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1Cl ZINC000827017806 633448926 /nfs/dbraw/zinc/44/89/26/633448926.db2.gz LPBUKIWAYTYBMH-IYBDPMFKSA-N 0 1 295.810 3.212 20 10 CGCDMN Oc1c(C[N@H+]2CCC[C@](O)(C3CC3)C2)ccc2ccccc21 ZINC000827153102 633465187 /nfs/dbraw/zinc/46/51/87/633465187.db2.gz YKDPZAGOCSGXJZ-LJQANCHMSA-N 0 1 297.398 3.282 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@](O)(C3CC3)C2)ccc2ccccc21 ZINC000827153102 633465193 /nfs/dbraw/zinc/46/51/93/633465193.db2.gz YKDPZAGOCSGXJZ-LJQANCHMSA-N 0 1 297.398 3.282 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)ccc2ccccc21 ZINC000827153102 633465197 /nfs/dbraw/zinc/46/51/97/633465197.db2.gz YKDPZAGOCSGXJZ-LJQANCHMSA-N 0 1 297.398 3.282 20 10 CGCDMN C[C@@H]([NH2+]CC1=CCOCC1)c1cc(Cl)ccc1[O-] ZINC000834859868 634258275 /nfs/dbraw/zinc/25/82/75/634258275.db2.gz KYZCMTQEVCMCEK-SNVBAGLBSA-N 0 1 267.756 3.043 20 10 CGCDMN CCc1ncc(CN[C@@H](C)c2cc(Cl)ccc2O)o1 ZINC000834900161 634276883 /nfs/dbraw/zinc/27/68/83/634276883.db2.gz NGPPBMACGMKTNW-VIFPVBQESA-N 0 1 280.755 3.447 20 10 CGCDMN CCc1ncc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])o1 ZINC000834900161 634276884 /nfs/dbraw/zinc/27/68/84/634276884.db2.gz NGPPBMACGMKTNW-VIFPVBQESA-N 0 1 280.755 3.447 20 10 CGCDMN COCC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCCC1 ZINC000834906708 634282396 /nfs/dbraw/zinc/28/23/96/634282396.db2.gz SNYVXQKQKIZAGU-LBPRGKRZSA-N 0 1 281.371 3.389 20 10 CGCDMN C[C@@H]1C[C@@H](NC/C=C\c2ccc(N(C)C)cc2)c2nccn21 ZINC000835055084 634339562 /nfs/dbraw/zinc/33/95/62/634339562.db2.gz QNJXJVOJFCMIQG-AYUWKEHRSA-N 0 1 296.418 3.258 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2nc(Cl)cs2)c1 ZINC000877534083 635076323 /nfs/dbraw/zinc/07/63/23/635076323.db2.gz XMPMDGHJCKQZMF-MRVPVSSYSA-N 0 1 298.795 3.362 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCS2)c(Cl)c1 ZINC000840903973 635079278 /nfs/dbraw/zinc/07/92/78/635079278.db2.gz FNYJXRQRDJABSF-JTQLQIEISA-N 0 1 271.813 3.339 20 10 CGCDMN COC[C@H]1CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840918006 635082466 /nfs/dbraw/zinc/08/24/66/635082466.db2.gz NQMYXTGXRQWKQW-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN COC[C@H]1CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840918006 635082469 /nfs/dbraw/zinc/08/24/69/635082469.db2.gz NQMYXTGXRQWKQW-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC=CO2)c(Cl)c1 ZINC000840939255 635086589 /nfs/dbraw/zinc/08/65/89/635086589.db2.gz LPURAYNEMXUWSF-LLVKDONJSA-N 0 1 267.756 3.136 20 10 CGCDMN CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841745765 635221773 /nfs/dbraw/zinc/22/17/73/635221773.db2.gz AJAJSYPUASYLGR-RYUDHWBXSA-N 0 1 284.831 3.427 20 10 CGCDMN CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753349 635227150 /nfs/dbraw/zinc/22/71/50/635227150.db2.gz HELISUCVXUKRRB-NWDGAFQWSA-N 0 1 284.831 3.425 20 10 CGCDMN CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753819 635227727 /nfs/dbraw/zinc/22/77/27/635227727.db2.gz WUZXIKZVWKNOLC-UWVGGRQHSA-N 0 1 257.761 3.121 20 10 CGCDMN CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841765091 635234144 /nfs/dbraw/zinc/23/41/44/635234144.db2.gz UZBFHYFYIQBTHG-YGRLFVJLSA-N 0 1 271.788 3.247 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000843416968 635663545 /nfs/dbraw/zinc/66/35/45/635663545.db2.gz NBCGWCZJCVLGHF-DOMZBBRYSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000843416968 635663549 /nfs/dbraw/zinc/66/35/49/635663549.db2.gz NBCGWCZJCVLGHF-DOMZBBRYSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000843419741 635664876 /nfs/dbraw/zinc/66/48/76/635664876.db2.gz RUVPWYSAUREUHM-ZDUSSCGKSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000843419741 635664880 /nfs/dbraw/zinc/66/48/80/635664880.db2.gz RUVPWYSAUREUHM-ZDUSSCGKSA-N 0 1 288.778 3.430 20 10 CGCDMN COCc1ccc(CNCc2ccc(N(C)C)cc2C)o1 ZINC000128244630 635928419 /nfs/dbraw/zinc/92/84/19/635928419.db2.gz XGIWZFLBXFDLDM-UHFFFAOYSA-N 0 1 288.391 3.090 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CCCC(F)(F)C1 ZINC000846012712 636129209 /nfs/dbraw/zinc/12/92/09/636129209.db2.gz CPGWZKSFMSBTDC-UHFFFAOYSA-N 0 1 279.689 3.416 20 10 CGCDMN C[NH+](C)Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000882907760 636456989 /nfs/dbraw/zinc/45/69/89/636456989.db2.gz OOUXHZGUPHBXLH-UHFFFAOYSA-N 0 1 292.329 3.344 20 10 CGCDMN c1cn2c(n1)[C@@H](NCc1ccc(N3CCCC3)cc1)CCC2 ZINC000848517466 636584366 /nfs/dbraw/zinc/58/43/66/636584366.db2.gz DMMZAFJWSAHUHH-KRWDZBQOSA-N 0 1 296.418 3.108 20 10 CGCDMN CCc1cccc(CN[C@@H](COC)c2ccco2)c1O ZINC000848898372 636680588 /nfs/dbraw/zinc/68/05/88/636680588.db2.gz USFLIOUEWVRQTH-AWEZNQCLSA-N 0 1 275.348 3.025 20 10 CGCDMN O=C([O-])CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000086754757 636782802 /nfs/dbraw/zinc/78/28/02/636782802.db2.gz GWNXNIYTSKZUMG-ZDUSSCGKSA-N 0 1 297.782 3.265 20 10 CGCDMN CC[C@H](C)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000132515074 636814792 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/nfs/dbraw/zinc/62/86/95/378628695.db2.gz AXWSVNUHYBPRAB-OAHLLOKOSA-N 0 1 287.359 3.082 20 10 CGCDMN COc1ccccc1C[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000272244961 378593864 /nfs/dbraw/zinc/59/38/64/378593864.db2.gz HGMCWFPJYQVOJS-UHFFFAOYSA-N 0 1 275.323 3.172 20 10 CGCDMN COc1cccc(C[N@@H+](C)Cc2cc(F)ccc2O)c1 ZINC000272345057 378617436 /nfs/dbraw/zinc/61/74/36/378617436.db2.gz ZMARRRVIAIGILJ-UHFFFAOYSA-N 0 1 275.323 3.172 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000273403495 378742967 /nfs/dbraw/zinc/74/29/67/378742967.db2.gz NSTJRYGKSIBKCE-PWSUYJOCSA-N 0 1 269.772 3.265 20 10 CGCDMN CC[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1ccc(F)cc1[O-] ZINC000285909396 380152308 /nfs/dbraw/zinc/15/23/08/380152308.db2.gz BUJRMYGBOIWDPF-MEBBXXQBSA-N 0 1 291.370 3.235 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1ccc(F)cc1[O-] ZINC000285909400 380153645 /nfs/dbraw/zinc/15/36/45/380153645.db2.gz BUJRMYGBOIWDPF-ZUZCIYMTSA-N 0 1 291.370 3.235 20 10 CGCDMN Cc1occc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000725848833 572440730 /nfs/dbraw/zinc/44/07/30/572440730.db2.gz KVEKFTCBXZXIMO-UHFFFAOYSA-N 0 1 251.713 3.237 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000363936610 262041347 /nfs/dbraw/zinc/04/13/47/262041347.db2.gz YQJUSAXAPQOYJD-UHFFFAOYSA-N 0 1 281.783 3.048 20 10 CGCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cncs1 ZINC000122434833 392423132 /nfs/dbraw/zinc/42/31/32/392423132.db2.gz DISLYVSJGTVTKW-JTQLQIEISA-N 0 1 279.384 3.199 20 10 CGCDMN CCOc1ccc(O)c(CN(C)Cc2cnc(C)s2)c1 ZINC000179383624 392700559 /nfs/dbraw/zinc/70/05/59/392700559.db2.gz OKUNAIVOBNRTIY-UHFFFAOYSA-N 0 1 292.404 3.188 20 10 CGCDMN C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1O ZINC000216004453 392989200 /nfs/dbraw/zinc/98/92/00/392989200.db2.gz WGBVOZAPDMFQBF-LSDHHAIUSA-N 0 1 276.424 3.307 20 10 CGCDMN Cc1ccc(O)c(CN2CCO[C@@H](c3ccccc3)C2)c1 ZINC000271051371 393243554 /nfs/dbraw/zinc/24/35/54/393243554.db2.gz WFKRWNPYMHZGMA-GOSISDBHSA-N 0 1 283.371 3.274 20 10 CGCDMN Cn1cc(NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000035737677 172391083 /nfs/dbraw/zinc/39/10/83/172391083.db2.gz JMORQOUODGQATN-UHFFFAOYSA-N 0 1 272.135 3.045 20 10 CGCDMN COc1cccc(CN[C@H](C)c2ncc(C)s2)c1O ZINC000134907030 334107774 /nfs/dbraw/zinc/10/77/74/334107774.db2.gz XNGZUOQJOTWGER-SNVBAGLBSA-N 0 1 278.377 3.017 20 10 CGCDMN CCN(C)c1ccc([C@H](C)NCc2snnc2C)cc1 ZINC000293246188 520290896 /nfs/dbraw/zinc/29/08/96/520290896.db2.gz BKRHTDNEURDELH-NSHDSACASA-N 0 1 290.436 3.153 20 10 CGCDMN CC1(C)CN(Cc2ccccc2O)[C@H]1c1cccnc1 ZINC000292870140 520482323 /nfs/dbraw/zinc/48/23/23/520482323.db2.gz WJOIDOZNLHDBAD-INIZCTEOSA-N 0 1 268.360 3.370 20 10 CGCDMN CCOc1cccc(CN(Cc2cccnc2)C2CC2)c1O ZINC000290361335 521333541 /nfs/dbraw/zinc/33/35/41/521333541.db2.gz GVCGHCRNKXJLEM-UHFFFAOYSA-N 0 1 298.386 3.351 20 10 CGCDMN COc1ccc(O)c(CN2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000366554474 524738605 /nfs/dbraw/zinc/73/86/05/524738605.db2.gz LVBPZPDRJNAPBT-QGZVFWFLSA-N 0 1 298.386 3.379 20 10 CGCDMN CSC1(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000227948893 525334487 /nfs/dbraw/zinc/33/44/87/525334487.db2.gz NKIKEKSEIVMSGK-UHFFFAOYSA-N 0 1 257.786 3.031 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000290079908 525626370 /nfs/dbraw/zinc/62/63/70/525626370.db2.gz GQTFLQOQTFUUDS-YGRLFVJLSA-N 0 1 283.799 3.247 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCCc2occc2C1 ZINC000290162836 526329093 /nfs/dbraw/zinc/32/90/93/526329093.db2.gz LZQUNHIKIZVSIO-UHFFFAOYSA-N 0 1 261.296 3.073 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000290363274 526329979 /nfs/dbraw/zinc/32/99/79/526329979.db2.gz AAVCIAWGKHNISM-ZBFHGGJFSA-N 0 1 291.366 3.065 20 10 CGCDMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CC2)c(O)c(C(C)(C)C)c1 ZINC000738229191 572367951 /nfs/dbraw/zinc/36/79/51/572367951.db2.gz AGFIAHPNNOJAGM-UHFFFAOYSA-N 0 1 291.391 3.047 20 10 CGCDMN COC(=O)c1cc2ccccc2c(C[N@H+](C)C2CCC2)c1[O-] ZINC000742173704 572556960 /nfs/dbraw/zinc/55/69/60/572556960.db2.gz VFHXCUYVPIKALE-UHFFFAOYSA-N 0 1 299.370 3.316 20 10 CGCDMN COC(=O)c1cc2ccccc2c(C[N@@H+](C)C2CCC2)c1[O-] ZINC000742173704 572556964 /nfs/dbraw/zinc/55/69/64/572556964.db2.gz VFHXCUYVPIKALE-UHFFFAOYSA-N 0 1 299.370 3.316 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000734850481 572688260 /nfs/dbraw/zinc/68/82/60/572688260.db2.gz KZYFCOSSLVTDFC-CQSZACIVSA-N 0 1 295.741 3.008 20 10 CGCDMN CCC[N@H+](C)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000746075005 572849236 /nfs/dbraw/zinc/84/92/36/572849236.db2.gz XBZSCFQJSBPYPK-UHFFFAOYSA-N 0 1 287.359 3.174 20 10 CGCDMN CCC[N@@H+](C)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000746075005 572849240 /nfs/dbraw/zinc/84/92/40/572849240.db2.gz XBZSCFQJSBPYPK-UHFFFAOYSA-N 0 1 287.359 3.174 20 10 CGCDMN CC[C@@H]([NH2+][C@H](C)COC)c1cc(Cl)ccc1[O-] ZINC000775483225 628098138 /nfs/dbraw/zinc/09/81/38/628098138.db2.gz POFACPGLRBYVBG-BXKDBHETSA-N 0 1 257.761 3.121 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c1O ZINC000252727989 617622686 /nfs/dbraw/zinc/62/26/86/617622686.db2.gz VMMWPODUQLXCPK-WDEREUQCSA-N 0 1 279.355 3.212 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1[O-] ZINC000252727989 617622688 /nfs/dbraw/zinc/62/26/88/617622688.db2.gz VMMWPODUQLXCPK-WDEREUQCSA-N 0 1 279.355 3.212 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c1[O-] ZINC000252727989 617622693 /nfs/dbraw/zinc/62/26/93/617622693.db2.gz VMMWPODUQLXCPK-WDEREUQCSA-N 0 1 279.355 3.212 20 10 CGCDMN COc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000083551192 618009752 /nfs/dbraw/zinc/00/97/52/618009752.db2.gz CUOIOTQPEQLQSS-UHFFFAOYSA-N 0 1 277.751 3.344 20 10 CGCDMN COC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000307789401 618078835 /nfs/dbraw/zinc/07/88/35/618078835.db2.gz UZRGJLDKQCQZGI-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN COC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000307789401 618078838 /nfs/dbraw/zinc/07/88/38/618078838.db2.gz UZRGJLDKQCQZGI-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN Cc1nc(C)c(CN[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000312543745 619087633 /nfs/dbraw/zinc/08/76/33/619087633.db2.gz LRXCPAWNKMEFPM-NSHDSACASA-N 0 1 273.380 3.208 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000894493832 619555655 /nfs/dbraw/zinc/55/56/55/619555655.db2.gz DZVVYKHWWJQYQA-AWEZNQCLSA-N 0 1 297.345 3.061 20 10 CGCDMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894748587 619619731 /nfs/dbraw/zinc/61/97/31/619619731.db2.gz UHNRWEBQEDLWQF-BXUZGUMPSA-N 0 1 299.361 3.186 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCCc2occc2C1 ZINC000894787495 619636034 /nfs/dbraw/zinc/63/60/34/619636034.db2.gz PPHOTXQIGUHYHC-UHFFFAOYSA-N 0 1 279.286 3.212 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000895073455 619712628 /nfs/dbraw/zinc/71/26/28/619712628.db2.gz HMMZKKYRAKHYPK-XHDPSFHLSA-N 0 1 297.345 3.061 20 10 CGCDMN Oc1cccc2c1C[N@@H+](C[C@@H]1CCc3ccccc31)C2 ZINC000895784669 619885416 /nfs/dbraw/zinc/88/54/16/619885416.db2.gz KYLVJWMARAINCK-HNNXBMFYSA-N 0 1 265.356 3.438 20 10 CGCDMN CCc1nc(C)c(CN[C@@H](C)c2cc(OC)ccc2O)o1 ZINC000314720940 620186527 /nfs/dbraw/zinc/18/65/27/620186527.db2.gz JBQGDDWDBWLHRF-JTQLQIEISA-N 0 1 290.363 3.110 20 10 CGCDMN CC[C@H]([NH2+][C@H]1COC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000903393006 621718407 /nfs/dbraw/zinc/71/84/07/621718407.db2.gz DCKIXQFZDYPXJW-ICCXJUOJSA-N 0 1 269.772 3.121 20 10 CGCDMN CCc1nc(CNCc2ccc(C)cc2O)cs1 ZINC000877011236 622884542 /nfs/dbraw/zinc/88/45/42/622884542.db2.gz BEPOZGJETNXPAW-UHFFFAOYSA-N 0 1 262.378 3.009 20 10 CGCDMN CC1(C)C[C@@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000226256479 622958881 /nfs/dbraw/zinc/95/88/81/622958881.db2.gz BNQSYDYYKDEGHF-SNVBAGLBSA-N 0 1 284.197 3.290 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCSC(F)(F)F ZINC000226646483 622992963 /nfs/dbraw/zinc/99/29/63/622992963.db2.gz ISCCPRVEVXJLAK-UHFFFAOYSA-N 0 1 285.718 3.388 20 10 CGCDMN Cc1cccn2cc(CNCc3cc(C)c(C)cc3O)nc12 ZINC000174413085 623391014 /nfs/dbraw/zinc/39/10/14/623391014.db2.gz NIIOCDNILRBLPO-UHFFFAOYSA-N 0 1 295.386 3.255 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cccc(F)c1 ZINC000083551716 625644925 /nfs/dbraw/zinc/64/49/25/625644925.db2.gz ZAJOAURMZRLCAD-UHFFFAOYSA-N 0 1 265.715 3.475 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)CC[C@H]2C)c1O ZINC000088706194 623487397 /nfs/dbraw/zinc/48/73/97/623487397.db2.gz YLYXDCHCYZEDEI-WDEREUQCSA-N 0 1 279.355 3.354 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c1[O-] ZINC000088706194 623487410 /nfs/dbraw/zinc/48/74/10/623487410.db2.gz YLYXDCHCYZEDEI-WDEREUQCSA-N 0 1 279.355 3.354 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)CC[C@H]2C)c1[O-] ZINC000088706194 623487420 /nfs/dbraw/zinc/48/74/20/623487420.db2.gz YLYXDCHCYZEDEI-WDEREUQCSA-N 0 1 279.355 3.354 20 10 CGCDMN CCc1nc(CN[C@H](C)c2ccccc2O)cs1 ZINC000179882970 624694675 /nfs/dbraw/zinc/69/46/75/624694675.db2.gz KYIIVVMZSGIKEP-SNVBAGLBSA-N 0 1 262.378 3.262 20 10 CGCDMN CCc1ccc([C@@H](COC)NCc2cccc(C)c2O)o1 ZINC000182223905 624959812 /nfs/dbraw/zinc/95/98/12/624959812.db2.gz SFLCODHZHUIBPQ-OAHLLOKOSA-N 0 1 289.375 3.333 20 10 CGCDMN C[C@H]([NH2+]Cc1ccnn1C)c1ccc2ccccc2c1[O-] ZINC000071333086 625078135 /nfs/dbraw/zinc/07/81/35/625078135.db2.gz XAHNREMOLXMGSI-LBPRGKRZSA-N 0 1 281.359 3.130 20 10 CGCDMN C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCCCO1 ZINC000922816233 626050714 /nfs/dbraw/zinc/05/07/14/626050714.db2.gz HUXDKPDINRZJOM-AWEZNQCLSA-N 0 1 269.772 3.094 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CCS1 ZINC000922836252 626053786 /nfs/dbraw/zinc/05/37/86/626053786.db2.gz LCJOEJUFNFLRHY-UWVGGRQHSA-N 0 1 271.813 3.419 20 10 CGCDMN CC[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804871611 626359415 /nfs/dbraw/zinc/35/94/15/626359415.db2.gz OELPHZHBIHZNQK-SSDOTTSWSA-N 0 1 291.178 3.297 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc(Cl)c1[O-] ZINC000806138895 626360780 /nfs/dbraw/zinc/36/07/80/626360780.db2.gz DLVQAEUKKQEJCB-SWLSCSKDSA-N 0 1 296.842 3.428 20 10 CGCDMN CC[C@H](NCc1cccc(C)c1O)c1nccs1 ZINC000124834632 634517150 /nfs/dbraw/zinc/51/71/50/634517150.db2.gz FXMJACMRWNQGNL-LBPRGKRZSA-N 0 1 262.378 3.398 20 10 CGCDMN Cc1cc[nH+]c(N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756794782 626733337 /nfs/dbraw/zinc/73/33/37/626733337.db2.gz CEGMJARMKNQHEG-SNVBAGLBSA-N 0 1 273.292 3.177 20 10 CGCDMN C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccc2ccccc2c1[O-] ZINC000760038004 626937117 /nfs/dbraw/zinc/93/71/17/626937117.db2.gz LVRLKPVOQIKYAL-PWSUYJOCSA-N 0 1 295.329 3.212 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000766227067 627305440 /nfs/dbraw/zinc/30/54/40/627305440.db2.gz XITKOJFVGBVBAG-CYBMUJFWSA-N 0 1 294.826 3.152 20 10 CGCDMN CCN(CC)c1ccc(CN2CCOC(C)(C)C2)cc1 ZINC000768842503 627503566 /nfs/dbraw/zinc/50/35/66/627503566.db2.gz XSXWSNODWKCPJS-UHFFFAOYSA-N 0 1 276.424 3.144 20 10 CGCDMN C[N@@H+](Cc1ccoc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769004053 627515349 /nfs/dbraw/zinc/51/53/49/627515349.db2.gz ICURVHNKSXMVEW-UHFFFAOYSA-N 0 1 296.710 3.179 20 10 CGCDMN COc1cccc(O)c1CN1CCc2cccc(F)c2C1 ZINC000769436746 627552132 /nfs/dbraw/zinc/55/21/32/627552132.db2.gz XLCIXCVRZBGVLS-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN CC1(C)[C@@H]2C[N@@H+](Cc3c([O-])cccc3Cl)C[C@@H]21 ZINC000769487749 627559316 /nfs/dbraw/zinc/55/93/16/627559316.db2.gz LGNHOYHWJNBENK-PHIMTYICSA-N 0 1 251.757 3.133 20 10 CGCDMN CC1(C)[C@@H]2C[N@H+](Cc3c([O-])cccc3Cl)C[C@@H]21 ZINC000769487749 627559319 /nfs/dbraw/zinc/55/93/19/627559319.db2.gz LGNHOYHWJNBENK-PHIMTYICSA-N 0 1 251.757 3.133 20 10 CGCDMN COc1cccc(O)c1CN1CC=C(C(F)(F)F)CC1 ZINC000769486114 627559362 /nfs/dbraw/zinc/55/93/62/627559362.db2.gz SPILOSNGICGTKC-UHFFFAOYSA-N 0 1 287.281 3.095 20 10 CGCDMN CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000771893753 627742006 /nfs/dbraw/zinc/74/20/06/627742006.db2.gz QLWCQPIJPCZRJX-ZFWWWQNUSA-N 0 1 283.799 3.339 20 10 CGCDMN CCN(C)c1ccc(CN2CCOC(C)(C)[C@@H]2C)cc1 ZINC000773765139 627912830 /nfs/dbraw/zinc/91/28/30/627912830.db2.gz GUNBCTRQQGTRFM-AWEZNQCLSA-N 0 1 276.424 3.142 20 10 CGCDMN CCCNC(=O)CC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775493596 628099967 /nfs/dbraw/zinc/09/99/67/628099967.db2.gz VBXCHHGQBPHWRP-ZDUSSCGKSA-N 0 1 298.814 3.003 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000775510271 628102526 /nfs/dbraw/zinc/10/25/26/628102526.db2.gz ZKSKMBZGFUORCB-GYSYKLTISA-N 0 1 285.815 3.493 20 10 CGCDMN C/C=C\C[C@H](CO)[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775554387 628105594 /nfs/dbraw/zinc/10/55/94/628105594.db2.gz ITWUBEUQCKIVLM-MOBDVTQCSA-N 0 1 283.799 3.413 20 10 CGCDMN CO[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1C ZINC000784666958 628828070 /nfs/dbraw/zinc/82/80/70/628828070.db2.gz CNEXOBMWKOKPHT-RNCFNFMXSA-N 0 1 287.762 3.042 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCC[C@@H]2C)c1[O-] ZINC000787994710 629038134 /nfs/dbraw/zinc/03/81/34/629038134.db2.gz KTMOMCNAJRTDSF-XPTSAGLGSA-N 0 1 265.328 3.012 20 10 CGCDMN CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000789593153 629149273 /nfs/dbraw/zinc/14/92/73/629149273.db2.gz NMRJWNFWOKKDSW-MRXNPFEDSA-N 0 1 297.826 3.419 20 10 CGCDMN CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000789593153 629149274 /nfs/dbraw/zinc/14/92/74/629149274.db2.gz NMRJWNFWOKKDSW-MRXNPFEDSA-N 0 1 297.826 3.419 20 10 CGCDMN CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000789593151 629149489 /nfs/dbraw/zinc/14/94/89/629149489.db2.gz NMRJWNFWOKKDSW-INIZCTEOSA-N 0 1 297.826 3.419 20 10 CGCDMN CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000789593151 629149492 /nfs/dbraw/zinc/14/94/92/629149492.db2.gz NMRJWNFWOKKDSW-INIZCTEOSA-N 0 1 297.826 3.419 20 10 CGCDMN Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1C ZINC000789938394 629175402 /nfs/dbraw/zinc/17/54/02/629175402.db2.gz BTKNSUCFMBQCJE-UHFFFAOYSA-N 0 1 275.279 3.106 20 10 CGCDMN CC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000125512389 634715527 /nfs/dbraw/zinc/71/55/27/634715527.db2.gz QABUBOYMEHCACL-SFHVURJKSA-N 0 1 288.435 3.288 20 10 CGCDMN CO[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)[C@H](C)C1 ZINC000862353850 629347504 /nfs/dbraw/zinc/34/75/04/629347504.db2.gz CAGIPUNHJGFAST-YPMHNXCESA-N 0 1 298.377 3.030 20 10 CGCDMN C[C@@H]1C[C@H](C)N1Cc1cc(Br)ccc1O ZINC000793219946 629430597 /nfs/dbraw/zinc/43/05/97/629430597.db2.gz ILTYPCUGJKZCBW-DTORHVGOSA-N 0 1 270.170 3.137 20 10 CGCDMN COc1ccc(F)cc1NCc1ccc(F)c(F)c1O ZINC000864030613 629731017 /nfs/dbraw/zinc/73/10/17/629731017.db2.gz OMKDOAOPGATLEI-UHFFFAOYSA-N 0 1 283.249 3.430 20 10 CGCDMN CO[C@@H]1CC[C@@H](C)N(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000864054543 629748196 /nfs/dbraw/zinc/74/81/96/629748196.db2.gz URRKRUCOJSNPLX-DGCLKSJQSA-N 0 1 298.377 3.030 20 10 CGCDMN Cn1ccnc1[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000796465261 629785981 /nfs/dbraw/zinc/78/59/81/629785981.db2.gz HSSVMLGACHZYEU-CQSZACIVSA-N 0 1 291.782 3.020 20 10 CGCDMN Cn1ccnc1[C@H](NCc1cc(Cl)ccc1O)C1CC1 ZINC000796465261 629785983 /nfs/dbraw/zinc/78/59/83/629785983.db2.gz HSSVMLGACHZYEU-CQSZACIVSA-N 0 1 291.782 3.020 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)c1[O-] ZINC000808697743 630666374 /nfs/dbraw/zinc/66/63/74/630666374.db2.gz SOIJZFVEBQNLJY-WCQGTBRESA-N 0 1 285.815 3.412 20 10 CGCDMN Cc1cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1N(C)C ZINC000815102208 631717551 /nfs/dbraw/zinc/71/75/51/631717551.db2.gz HEPMETZQIIASQG-KSSFIOAISA-N 0 1 288.435 3.060 20 10 CGCDMN Cc1cc(C)c([C@H](C)NCc2ncccc2F)c(O)c1 ZINC000815598174 631803622 /nfs/dbraw/zinc/80/36/22/631803622.db2.gz OLRGMHOHOOOLOS-LBPRGKRZSA-N 0 1 274.339 3.394 20 10 CGCDMN CC(=O)OC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816512908 631998411 /nfs/dbraw/zinc/99/84/11/631998411.db2.gz ZETCXAPNUULXLZ-UHFFFAOYSA-N 0 1 299.370 3.073 20 10 CGCDMN CCC1(O)CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816515175 632000880 /nfs/dbraw/zinc/00/08/80/632000880.db2.gz RIXZJTOKGMZSKP-UHFFFAOYSA-N 0 1 285.387 3.282 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)ccc2ccccc21 ZINC000816553502 632009769 /nfs/dbraw/zinc/00/97/69/632009769.db2.gz XRRAUVWAZIUGSF-CZUORRHYSA-N 0 1 285.387 3.186 20 10 CGCDMN CS[C@H](C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816558081 632011923 /nfs/dbraw/zinc/01/19/23/632011923.db2.gz MGTCDWRDFFHMDE-LLVKDONJSA-N 0 1 261.390 3.387 20 10 CGCDMN CC[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@H](C)OC ZINC000816617383 632024080 /nfs/dbraw/zinc/02/40/80/632024080.db2.gz XKTLECLCGGEMFO-ZDUSSCGKSA-N 0 1 273.376 3.402 20 10 CGCDMN CC[N@H+](Cc1ccc2ccccc2c1[O-])C[C@H](C)OC ZINC000816617383 632024084 /nfs/dbraw/zinc/02/40/84/632024084.db2.gz XKTLECLCGGEMFO-ZDUSSCGKSA-N 0 1 273.376 3.402 20 10 CGCDMN CCOc1ccc(O)c(CN2C[C@@H](CC)O[C@@H](CC)C2)c1 ZINC000817413513 632143534 /nfs/dbraw/zinc/14/35/34/632143534.db2.gz YRDPEGUYBAIFJB-GASCZTMLSA-N 0 1 293.407 3.180 20 10 CGCDMN Cc1cc(N(C)C)ccc1CNCc1cc(F)ncc1F ZINC000823848361 633158786 /nfs/dbraw/zinc/15/87/86/633158786.db2.gz URJRHCWPFYNKPZ-UHFFFAOYSA-N 0 1 291.345 3.024 20 10 CGCDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccnn1C ZINC000866616127 633215649 /nfs/dbraw/zinc/21/56/49/633215649.db2.gz YRUOERBEPAIKNP-UWVGGRQHSA-N 0 1 279.771 3.191 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1Cl ZINC000824555532 633259611 /nfs/dbraw/zinc/25/96/11/633259611.db2.gz HAWKAFRIERCAJQ-LBPRGKRZSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1Cl ZINC000824555532 633259615 /nfs/dbraw/zinc/25/96/15/633259615.db2.gz HAWKAFRIERCAJQ-LBPRGKRZSA-N 0 1 295.810 3.355 20 10 CGCDMN C[C@@H](CCCO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824608804 633264266 /nfs/dbraw/zinc/26/42/66/633264266.db2.gz RCTVRKFDDFPYAF-ZDUSSCGKSA-N 0 1 273.376 3.044 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824650093 633267315 /nfs/dbraw/zinc/26/73/15/633267315.db2.gz IAZJKBVCPSHZPW-GFCCVEGCSA-N 0 1 255.720 3.169 20 10 CGCDMN COC[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824782730 633289095 /nfs/dbraw/zinc/28/90/95/633289095.db2.gz LYXLEVKIHMPHMF-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN COC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824782730 633289115 /nfs/dbraw/zinc/28/91/15/633289115.db2.gz LYXLEVKIHMPHMF-LBPRGKRZSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1Cl ZINC000825469063 633356449 /nfs/dbraw/zinc/35/64/49/633356449.db2.gz UXULNSRVTDBRIG-RYUDHWBXSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc(O)c(CN(C)Cc2ccccn2)cc1Cl ZINC000825500608 633358115 /nfs/dbraw/zinc/35/81/15/633358115.db2.gz FKOMRKHFPYHDLX-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCOC[C@H]2C)cc1Cl ZINC000825893195 633386692 /nfs/dbraw/zinc/38/66/92/633386692.db2.gz RTLPXJPVVXBOFH-VXGBXAGGSA-N 0 1 283.799 3.116 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@H]1C ZINC000826063017 633401438 /nfs/dbraw/zinc/40/14/38/633401438.db2.gz ZTPJZCJQADSTEV-IAQYHMDHSA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C[C@H]1C ZINC000826063017 633401451 /nfs/dbraw/zinc/40/14/51/633401451.db2.gz ZTPJZCJQADSTEV-IAQYHMDHSA-N 0 1 283.799 3.211 20 10 CGCDMN CCc1ccc(C)nc1NCc1cc(OC)ccc1O ZINC000826910685 633443358 /nfs/dbraw/zinc/44/33/58/633443358.db2.gz LUHVCOUEWCPBGF-UHFFFAOYSA-N 0 1 272.348 3.279 20 10 CGCDMN [O-]c1c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)ccc2ccccc21 ZINC000827481505 633493566 /nfs/dbraw/zinc/49/35/66/633493566.db2.gz OPJVTZCBKMMCBJ-ZSHCYNCHSA-N 0 1 253.345 3.434 20 10 CGCDMN CC(C)Cn1ccnc1CN[C@@H]1CCc2cccc(O)c21 ZINC000834602097 634196157 /nfs/dbraw/zinc/19/61/57/634196157.db2.gz JDYRDRHVJZNCQE-CQSZACIVSA-N 0 1 285.391 3.022 20 10 CGCDMN CCCOc1ccc(CNCc2cc(C)nn2C)cc1C ZINC000873121035 634250039 /nfs/dbraw/zinc/25/00/39/634250039.db2.gz CUTHKFXAMNXHBO-UHFFFAOYSA-N 0 1 287.407 3.116 20 10 CGCDMN CCN(C)c1ccc([C@@H](C)N[C@H]2CCn3ccnc32)cc1 ZINC000834835767 634252581 /nfs/dbraw/zinc/25/25/81/634252581.db2.gz JKBOXZIWSPFJKB-CJNGLKHVSA-N 0 1 284.407 3.135 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873157504 634265426 /nfs/dbraw/zinc/26/54/26/634265426.db2.gz ZXYHFMDTUUZVJG-XEGUGMAKSA-N 0 1 281.783 3.093 20 10 CGCDMN C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000834903537 634280291 /nfs/dbraw/zinc/28/02/91/634280291.db2.gz IRARDJZHXUPFLY-SNVBAGLBSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cc(Cl)ccc1[O-] ZINC000834914500 634285981 /nfs/dbraw/zinc/28/59/81/634285981.db2.gz FXTDWGLBHXSFRU-JFGNBEQYSA-N 0 1 269.772 3.264 20 10 CGCDMN C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2[O-])O1 ZINC000835087990 634350617 /nfs/dbraw/zinc/35/06/17/634350617.db2.gz SGKGZWLURHQHPB-DOMZBBRYSA-N 0 1 271.360 3.203 20 10 CGCDMN CC(C)(C)N1CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876949064 634934494 /nfs/dbraw/zinc/93/44/94/634934494.db2.gz RNTYXNAELMRMFO-UHFFFAOYSA-N 0 1 298.377 3.023 20 10 CGCDMN CC[C@H](N[C@@H](C)c1ccn(C)n1)c1ccc(N(C)C)cc1 ZINC000840818417 635058737 /nfs/dbraw/zinc/05/87/37/635058737.db2.gz XUSQHYJLENXJQY-BBRMVZONSA-N 0 1 286.423 3.288 20 10 CGCDMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877517592 635068951 /nfs/dbraw/zinc/06/89/51/635068951.db2.gz OPDZICAURYXURI-AAEUAGOBSA-N 0 1 299.361 3.186 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCOC(C)C)c(Cl)c1 ZINC000840877101 635071217 /nfs/dbraw/zinc/07/12/17/635071217.db2.gz SXESAZSNSIANSM-UHFFFAOYSA-N 0 1 271.788 3.259 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H](CCO)CC(C)C)c(Cl)c1 ZINC000840902639 635079240 /nfs/dbraw/zinc/07/92/40/635079240.db2.gz VBMJCVTXEMKMBB-CYBMUJFWSA-N 0 1 299.842 3.488 20 10 CGCDMN CC1(C)C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000877540315 635079835 /nfs/dbraw/zinc/07/98/35/635079835.db2.gz WFBSDNACPPXSJZ-IUODEOHRSA-N 0 1 297.345 3.060 20 10 CGCDMN CCC1(O)CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840917534 635082776 /nfs/dbraw/zinc/08/27/76/635082776.db2.gz RUACQAFYEIGAAW-UHFFFAOYSA-N 0 1 283.799 3.091 20 10 CGCDMN CCC1(CO)CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840917811 635083014 /nfs/dbraw/zinc/08/30/14/635083014.db2.gz NFVAEVRQYNAHEA-UHFFFAOYSA-N 0 1 297.826 3.339 20 10 CGCDMN CO[C@@H]1CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840936042 635085743 /nfs/dbraw/zinc/08/57/43/635085743.db2.gz DMWSKPOEOXZGBE-GFCCVEGCSA-N 0 1 283.799 3.355 20 10 CGCDMN CO[C@@H]1CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840936042 635085751 /nfs/dbraw/zinc/08/57/51/635085751.db2.gz DMWSKPOEOXZGBE-GFCCVEGCSA-N 0 1 283.799 3.355 20 10 CGCDMN CC[C@@]1(CO)CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840940185 635086780 /nfs/dbraw/zinc/08/67/80/635086780.db2.gz VUAWHMQYKSJHDM-MRXNPFEDSA-N 0 1 297.826 3.339 20 10 CGCDMN CC[C@@]1(CO)CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840940185 635086786 /nfs/dbraw/zinc/08/67/86/635086786.db2.gz VUAWHMQYKSJHDM-MRXNPFEDSA-N 0 1 297.826 3.339 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@@H](c3cccnc3)C2)ccc(F)c1F ZINC000877605131 635108571 /nfs/dbraw/zinc/10/85/71/635108571.db2.gz VFJFTJQSURFAEG-GFCCVEGCSA-N 0 1 290.313 3.055 20 10 CGCDMN CC(C)(O)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000877753523 635183057 /nfs/dbraw/zinc/18/30/57/635183057.db2.gz GKTNOPXKBPPQCT-UHFFFAOYSA-N 0 1 283.799 3.029 20 10 CGCDMN CCN(CC)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745316 635222593 /nfs/dbraw/zinc/22/25/93/635222593.db2.gz XMLWFBBVTFCPQR-LLVKDONJSA-N 0 1 270.804 3.038 20 10 CGCDMN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n[nH]1 ZINC000841752301 635225044 /nfs/dbraw/zinc/22/50/44/635225044.db2.gz SJUMCOKQHAKFRT-GXSJLCMTSA-N 0 1 293.798 3.359 20 10 CGCDMN CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000842917423 635512182 /nfs/dbraw/zinc/51/21/82/635512182.db2.gz ORGQGZRRQDWBAT-LOWVWBTDSA-N 0 1 285.815 3.493 20 10 CGCDMN CC(C)O[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843413409 635661662 /nfs/dbraw/zinc/66/16/62/635661662.db2.gz HWTAIZYBYVDOJD-GFCCVEGCSA-N 0 1 287.762 3.184 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000843416970 635663244 /nfs/dbraw/zinc/66/32/44/635663244.db2.gz NBCGWCZJCVLGHF-SWLSCSKDSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000843416970 635663247 /nfs/dbraw/zinc/66/32/47/635663247.db2.gz NBCGWCZJCVLGHF-SWLSCSKDSA-N 0 1 295.810 3.437 20 10 CGCDMN C[C@H]1CC([NH2+]Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000128636511 636051122 /nfs/dbraw/zinc/05/11/22/636051122.db2.gz XJDZCLOHUFQPQC-UWVGGRQHSA-N 0 1 269.772 3.091 20 10 CGCDMN COC[C@@H](CC(C)C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846054757 636138921 /nfs/dbraw/zinc/13/89/21/636138921.db2.gz FRKRQYYKBUBTPY-CYBMUJFWSA-N 0 1 271.788 3.196 20 10 CGCDMN COc1cccc([C@@H](C)NCc2csc(C)n2)c1O ZINC000846145681 636149691 /nfs/dbraw/zinc/14/96/91/636149691.db2.gz PRNZTBQXBYVHLD-SECBINFHSA-N 0 1 278.377 3.017 20 10 CGCDMN COc1cccc(O)c1CNCc1cccc(C)c1OC ZINC000848564599 636608264 /nfs/dbraw/zinc/60/82/64/636608264.db2.gz PFILDOYTNRCWJU-UHFFFAOYSA-N 0 1 287.359 3.008 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000848574612 636613656 /nfs/dbraw/zinc/61/36/56/636613656.db2.gz GLZRFDAWSICZPY-GJZGRUSLSA-N 0 1 294.826 3.152 20 10 CGCDMN CN(C)c1ccc(CNCc2cc(O)ccc2Cl)cc1 ZINC000883324698 636675582 /nfs/dbraw/zinc/67/55/82/636675582.db2.gz ANLSERFACPELEV-UHFFFAOYSA-N 0 1 290.794 3.401 20 10 CGCDMN CC(C)C[N@H+](CCN(C)C)Cc1cc(Cl)ccc1[O-] ZINC000132542798 636818218 /nfs/dbraw/zinc/81/82/18/636818218.db2.gz GRXZSQRUMYFWDW-UHFFFAOYSA-N 0 1 284.831 3.065 20 10 CGCDMN CC(C)C[N@@H+](CCN(C)C)Cc1cc(Cl)ccc1[O-] ZINC000132542798 636818222 /nfs/dbraw/zinc/81/82/22/636818222.db2.gz GRXZSQRUMYFWDW-UHFFFAOYSA-N 0 1 284.831 3.065 20 10 CGCDMN CCO[C@H]1C[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000850362592 637029242 /nfs/dbraw/zinc/02/92/42/637029242.db2.gz QATJPJTVSCPJSD-XYPYZODXSA-N 0 1 269.772 3.011 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850372106 637035060 /nfs/dbraw/zinc/03/50/60/637035060.db2.gz PXNFHIHSEURHLK-ZBFHGGJFSA-N 0 1 289.762 3.314 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccoc2)c(Cl)c1 ZINC000850376306 637038278 /nfs/dbraw/zinc/03/82/78/637038278.db2.gz GHQLIXBCTPWPPA-UHFFFAOYSA-N 0 1 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/nfs/dbraw/zinc/61/00/42/819610042.db2.gz MEDRKNNBZKOTDW-GUYCJALGSA-N 0 1 285.387 3.138 20 10 CGCDMN CC(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001237047076 819650042 /nfs/dbraw/zinc/65/00/42/819650042.db2.gz ZTDCJHMIIFAWST-KBXCAEBGSA-N 0 1 291.435 3.499 20 10 CGCDMN CC(C)c1ccc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001237047076 819650046 /nfs/dbraw/zinc/65/00/46/819650046.db2.gz ZTDCJHMIIFAWST-KBXCAEBGSA-N 0 1 291.435 3.499 20 10 CGCDMN CC(C)c1ccc(CN2CCC(=O)[C@@H](C)CC2)c(O)c1 ZINC001237044862 819651090 /nfs/dbraw/zinc/65/10/90/819651090.db2.gz FBGKOWCNQGZZSQ-ZDUSSCGKSA-N 0 1 275.392 3.317 20 10 CGCDMN CCN(CC[NH+](C)C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237078196 819662303 /nfs/dbraw/zinc/66/23/03/819662303.db2.gz PEFKBKPIUZZKIG-UHFFFAOYSA-N 0 1 291.222 3.083 20 10 CGCDMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078784 819662490 /nfs/dbraw/zinc/66/24/90/819662490.db2.gz WYRNNTZVUPYBDW-RKDXNWHRSA-N 0 1 290.190 3.044 20 10 CGCDMN CC[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237128299 819675566 /nfs/dbraw/zinc/67/55/66/819675566.db2.gz ORZHLRLFTKXNHW-SECBINFHSA-N 0 1 257.736 3.417 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237128299 819675570 /nfs/dbraw/zinc/67/55/70/819675570.db2.gz ORZHLRLFTKXNHW-SECBINFHSA-N 0 1 257.736 3.417 20 10 CGCDMN CCCO[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125022 819672902 /nfs/dbraw/zinc/67/29/02/819672902.db2.gz QLKFJXZGQWPMQO-SNVBAGLBSA-N 0 1 287.762 3.186 20 10 CGCDMN CCCO[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125022 819672905 /nfs/dbraw/zinc/67/29/05/819672905.db2.gz QLKFJXZGQWPMQO-SNVBAGLBSA-N 0 1 287.762 3.186 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237124949 819673724 /nfs/dbraw/zinc/67/37/24/819673724.db2.gz SWMBDEHYLXSBRO-QMTHXVAHSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237124949 819673729 /nfs/dbraw/zinc/67/37/29/819673729.db2.gz SWMBDEHYLXSBRO-QMTHXVAHSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001237122834 819674117 /nfs/dbraw/zinc/67/41/17/819674117.db2.gz ZNSFHAZIGQEXOT-HZMBPMFUSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001237122834 819674120 /nfs/dbraw/zinc/67/41/20/819674120.db2.gz ZNSFHAZIGQEXOT-HZMBPMFUSA-N 0 1 299.773 3.186 20 10 CGCDMN CC1(C)[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3O)C[C@@H]21 ZINC001237140989 819676821 /nfs/dbraw/zinc/67/68/21/819676821.db2.gz QGEJPYFNWWHLEA-TXEJJXNPSA-N 0 1 285.309 3.499 20 10 CGCDMN COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cc(F)c1[O-] ZINC001237624081 819788676 /nfs/dbraw/zinc/78/86/76/819788676.db2.gz XIKWRZNGNZNJHT-FUNVUKJBSA-N 0 1 299.773 3.327 20 10 CGCDMN Oc1c(Cl)cc(F)cc1CN1CCC(F)(F)[C@@H](F)C1 ZINC001237800610 819844462 /nfs/dbraw/zinc/84/44/62/819844462.db2.gz AGBGAOIBGKTWLI-JTQLQIEISA-N 0 1 297.679 3.364 20 10 CGCDMN Oc1c(Cl)cc(F)cc1CN1CCc2ncsc2C1 ZINC001237800065 819846565 /nfs/dbraw/zinc/84/65/65/819846565.db2.gz WHDCAGOHNSKRDQ-UHFFFAOYSA-N 0 1 298.770 3.200 20 10 CGCDMN Cc1nc(CN(C)Cc2ccc(N(C)C)cc2)ccc1F ZINC001237819301 819851503 /nfs/dbraw/zinc/85/15/03/819851503.db2.gz CZXVVOPOVDZCCA-UHFFFAOYSA-N 0 1 287.382 3.227 20 10 CGCDMN COc1ccc(O)c(CNCc2ccc(C)nc2Cl)c1 ZINC001353604497 937072346 /nfs/dbraw/zinc/07/23/46/937072346.db2.gz COKQMDSDGZCXHF-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001308548162 928530949 /nfs/dbraw/zinc/53/09/49/928530949.db2.gz WOBXBKIWXXSYHM-OUJBWJOFSA-N 0 1 251.757 3.324 20 10 CGCDMN CC(C)c1ccc(O)c(CN2CCO[C@H](C)[C@@H]2C)c1 ZINC001461960005 937608977 /nfs/dbraw/zinc/60/89/77/937608977.db2.gz LYIJTYDPVMULHW-QWHCGFSZSA-N 0 1 263.381 3.125 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1C ZINC001462128769 937619355 /nfs/dbraw/zinc/61/93/55/937619355.db2.gz VCARGDBMEOGGAB-VHSXEESVSA-N 0 1 255.308 3.291 20 10 CGCDMN CC(C)c1ccc(O)c(CN[C@@H](C)c2ccn(C)n2)c1 ZINC001462334337 937633324 /nfs/dbraw/zinc/63/33/24/937633324.db2.gz NHZFYSRGNHXXKO-LBPRGKRZSA-N 0 1 273.380 3.100 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001462338826 937633920 /nfs/dbraw/zinc/63/39/20/937633920.db2.gz YBBNKEIFKSPSFF-DTWKUNHWSA-N 0 1 291.700 3.272 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC001462387439 937637457 /nfs/dbraw/zinc/63/74/57/937637457.db2.gz PPQVIXQHILDKAE-LSDHHAIUSA-N 0 1 294.826 3.152 20 10 CGCDMN COC[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])C(C)C ZINC001462604001 937653191 /nfs/dbraw/zinc/65/31/91/937653191.db2.gz KJPRJGMBPFMZFV-CYBMUJFWSA-N 0 1 285.815 3.362 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC001308776405 933175560 /nfs/dbraw/zinc/17/55/60/933175560.db2.gz YDLJAAIUEINZEH-ZDUSSCGKSA-N 0 1 283.824 3.373 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC001308776405 933175564 /nfs/dbraw/zinc/17/55/64/933175564.db2.gz YDLJAAIUEINZEH-ZDUSSCGKSA-N 0 1 283.824 3.373 20 10 CGCDMN CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(Cl)cc1[O-])C1CC1 ZINC001308821538 933184757 /nfs/dbraw/zinc/18/47/57/933184757.db2.gz SEZOZUCWZQTIOK-MEBBXXQBSA-N 0 1 283.799 3.339 20 10 CGCDMN Cc1nc(F)ccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001308846974 933189184 /nfs/dbraw/zinc/18/91/84/933189184.db2.gz YOSXPJDDAORTEB-UHFFFAOYSA-N 0 1 280.730 3.178 20 10 CGCDMN CC(C)[C@]1(CO)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001324555896 934523261 /nfs/dbraw/zinc/52/32/61/934523261.db2.gz YBYQUUAYKCLKLR-LJQANCHMSA-N 0 1 299.414 3.386 20 10 CGCDMN CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001324555896 934523267 /nfs/dbraw/zinc/52/32/67/934523267.db2.gz YBYQUUAYKCLKLR-LJQANCHMSA-N 0 1 299.414 3.386 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(CO)cc2)cc1Cl ZINC001328761054 935167959 /nfs/dbraw/zinc/16/79/59/935167959.db2.gz AOWBUOLWVIWYTC-UHFFFAOYSA-N 0 1 291.778 3.136 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCC2CCOCC2)c(Cl)c1 ZINC001331382222 935375102 /nfs/dbraw/zinc/37/51/02/935375102.db2.gz FUZNQHNUYABTBL-UHFFFAOYSA-N 0 1 283.799 3.260 20 10 CGCDMN CCC[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001337041762 936233969 /nfs/dbraw/zinc/23/39/69/936233969.db2.gz CBPMNMNFOOYXAN-SFHVURJKSA-N 0 1 288.435 3.288 20 10 CGCDMN CC(C)[C@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])CCCO1 ZINC001474551800 937866131 /nfs/dbraw/zinc/86/61/31/937866131.db2.gz UDQGYCCWVVPSMS-OAHLLOKOSA-N 0 1 283.799 3.293 20 10 CGCDMN CC(C)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])CCCO1 ZINC001474551800 937866133 /nfs/dbraw/zinc/86/61/33/937866133.db2.gz UDQGYCCWVVPSMS-OAHLLOKOSA-N 0 1 283.799 3.293 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[O-])CS1 ZINC001474581313 937868231 /nfs/dbraw/zinc/86/82/31/937868231.db2.gz QUSUWQCPEOEILI-KCJUWKMLSA-N 0 1 257.786 3.029 20 10 CGCDMN CC[N@@H+](Cc1ccc(Cl)cc1O)[C@H]1CCCOC1 ZINC001474614638 937870598 /nfs/dbraw/zinc/87/05/98/937870598.db2.gz YBBYOLNTKBNHJJ-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[N@H+](Cc1ccc(Cl)cc1[O-])[C@H]1CCCOC1 ZINC001474614638 937870600 /nfs/dbraw/zinc/87/06/00/937870600.db2.gz YBBYOLNTKBNHJJ-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[N@@H+](Cc1ccc(Cl)cc1[O-])[C@H]1CCCOC1 ZINC001474614638 937870602 /nfs/dbraw/zinc/87/06/02/937870602.db2.gz YBBYOLNTKBNHJJ-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN CC(C)C1(O)CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001474749758 937878754 /nfs/dbraw/zinc/87/87/54/937878754.db2.gz QONULHFLDWPBRM-UHFFFAOYSA-N 0 1 283.799 3.029 20 10 CGCDMN Oc1c(Cl)cc(Cl)cc1CNc1nccnc1F ZINC001559204862 938222272 /nfs/dbraw/zinc/22/22/72/938222272.db2.gz VZLHXPANURJRGB-UHFFFAOYSA-N 0 1 288.109 3.240 20 10 CGCDMN COc1cccc(CNCc2ccc(F)c(F)c2F)c1O ZINC001560811113 938277176 /nfs/dbraw/zinc/27/71/76/938277176.db2.gz YVINPYJDJDTYCA-UHFFFAOYSA-N 0 1 297.276 3.108 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC001603107173 972183810 /nfs/dbraw/zinc/18/38/10/972183810.db2.gz WIVJLKGJCRPMAU-WFASDCNBSA-N 0 1 291.391 3.058 20 10 CGCDMN CS[C@H]1CC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000381540227 799381968 /nfs/dbraw/zinc/38/19/68/799381968.db2.gz HKCGLTNZXXEKQI-PWSUYJOCSA-N 0 1 257.786 3.029 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093505983 370137608 /nfs/dbraw/zinc/13/76/08/370137608.db2.gz BZOSRLXSFJAAGB-IAQYHMDHSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093505983 370137610 /nfs/dbraw/zinc/13/76/10/370137610.db2.gz BZOSRLXSFJAAGB-IAQYHMDHSA-N 0 1 281.783 3.047 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCC[C@H]1O ZINC000289910630 371852020 /nfs/dbraw/zinc/85/20/20/371852020.db2.gz XEDPFCYOVZXIJG-VXGBXAGGSA-N 0 1 290.190 3.044 20 10 CGCDMN CCn1ccnc1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000296251900 373068655 /nfs/dbraw/zinc/06/86/55/373068655.db2.gz CXIGFLXMZRKTMK-CYBMUJFWSA-N 0 1 299.418 3.338 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000296653798 373208737 /nfs/dbraw/zinc/20/87/37/373208737.db2.gz ZCHMADLPBSYMOO-VHSXEESVSA-N 0 1 271.788 3.246 20 10 CGCDMN C[C@H]([NH2+]CCCN(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192593139 375767763 /nfs/dbraw/zinc/76/77/63/375767763.db2.gz YXOKSTZDQNYKAP-VIFPVBQESA-N 0 1 291.222 3.301 20 10 CGCDMN CO[C@@H](C[N@@H+](C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000528419834 375901834 /nfs/dbraw/zinc/90/18/34/375901834.db2.gz QQFOXFZAUVOUER-KRWDZBQOSA-N 0 1 289.350 3.351 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248907888 377427980 /nfs/dbraw/zinc/42/79/80/377427980.db2.gz XFEYAXQVSREDKR-HZMBPMFUSA-N 0 1 299.773 3.186 20 10 CGCDMN Cc1n[nH]c(C)c1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000271038553 378435165 /nfs/dbraw/zinc/43/51/65/378435165.db2.gz GXEUPZZOZDUNFI-UHFFFAOYSA-N 0 1 298.434 3.257 20 10 CGCDMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000271458855 378493748 /nfs/dbraw/zinc/49/37/48/378493748.db2.gz WRFKBPHRNFWNNN-CQSZACIVSA-N 0 1 283.371 3.390 20 10 CGCDMN CCc1nnc([C@H](C)N[C@H](C)c2ccc(C)c(C)c2O)[nH]1 ZINC000273505234 378750383 /nfs/dbraw/zinc/75/03/83/378750383.db2.gz QXLRCLZIJXVCTG-NEPJUHHUSA-N 0 1 288.395 3.101 20 10 CGCDMN CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273596463 378756492 /nfs/dbraw/zinc/75/64/92/378756492.db2.gz QVNKDWYDAFBCEW-GXFFZTMASA-N 0 1 271.788 3.103 20 10 CGCDMN Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(C)cc2O)s1 ZINC000274122033 378780105 /nfs/dbraw/zinc/78/01/05/378780105.db2.gz AUEXTJBDHWPSKA-VHSXEESVSA-N 0 1 277.393 3.272 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375300734 379490076 /nfs/dbraw/zinc/49/00/76/379490076.db2.gz CJCMBSHIEFUAQD-OAHLLOKOSA-N 0 1 299.773 3.187 20 10 CGCDMN CSCCC[N@H+](C)Cc1c([O-])cccc1Cl ZINC000281291559 379828529 /nfs/dbraw/zinc/82/85/29/379828529.db2.gz PCPUQSSMNRQTIT-UHFFFAOYSA-N 0 1 259.802 3.231 20 10 CGCDMN CSCCC[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000281291559 379828532 /nfs/dbraw/zinc/82/85/32/379828532.db2.gz PCPUQSSMNRQTIT-UHFFFAOYSA-N 0 1 259.802 3.231 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])CC1CCOCC1 ZINC000282467352 379926960 /nfs/dbraw/zinc/92/69/60/379926960.db2.gz NMFZOQRLOZEDIV-UHFFFAOYSA-N 0 1 277.408 3.421 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])CC1CCOCC1 ZINC000282467352 379926967 /nfs/dbraw/zinc/92/69/67/379926967.db2.gz NMFZOQRLOZEDIV-UHFFFAOYSA-N 0 1 277.408 3.421 20 10 CGCDMN Nc1cccc2c1CC[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000038032514 174028631 /nfs/dbraw/zinc/02/86/31/174028631.db2.gz OTNSHVSLSHTMEQ-UHFFFAOYSA-N 0 1 288.778 3.186 20 10 CGCDMN Nc1cccc2c1CC[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC000038032514 174028633 /nfs/dbraw/zinc/02/86/33/174028633.db2.gz OTNSHVSLSHTMEQ-UHFFFAOYSA-N 0 1 288.778 3.186 20 10 CGCDMN Cc1ncsc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000071212498 176084466 /nfs/dbraw/zinc/08/44/66/176084466.db2.gz DVLRXXAUWVGBPH-UHFFFAOYSA-N 0 1 268.769 3.100 20 10 CGCDMN CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185438427 262054109 /nfs/dbraw/zinc/05/41/09/262054109.db2.gz SMLIOXVBRINAKD-BFVZDQMLSA-N 0 1 271.788 3.103 20 10 CGCDMN C[C@@H](N[C@@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186546796 262098159 /nfs/dbraw/zinc/09/81/59/262098159.db2.gz CVZCASQXGULVMS-CJNGLKHVSA-N 0 1 288.391 3.120 20 10 CGCDMN CCc1cnc(CN[C@H](C)c2cc(OC)ccc2O)s1 ZINC000185584289 262305813 /nfs/dbraw/zinc/30/58/13/262305813.db2.gz SKUGRMMSYJGSDL-SNVBAGLBSA-N 0 1 292.404 3.271 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000371324825 267390898 /nfs/dbraw/zinc/39/08/98/267390898.db2.gz AUSKVXPIWOYEBB-UHFFFAOYSA-N 0 1 295.810 3.438 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000371324825 267390901 /nfs/dbraw/zinc/39/09/01/267390901.db2.gz AUSKVXPIWOYEBB-UHFFFAOYSA-N 0 1 295.810 3.438 20 10 CGCDMN C[C@H](N[C@@H](C)c1ncccc1F)c1cc(F)ccc1O ZINC000528036591 330302996 /nfs/dbraw/zinc/30/29/96/330302996.db2.gz UKCZUCYLVGZREQ-UWVGGRQHSA-N 0 1 278.302 3.477 20 10 CGCDMN CCc1noc(C)c1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000274818271 522847972 /nfs/dbraw/zinc/84/79/72/522847972.db2.gz ASXBKRKNUSUKNR-GFCCVEGCSA-N 0 1 287.407 3.462 20 10 CGCDMN C[C@@H](NCCF)c1ccc(N2CCCCC2)c(F)c1 ZINC000280921406 525446979 /nfs/dbraw/zinc/44/69/79/525446979.db2.gz DSPDZWQGKZGZLD-GFCCVEGCSA-N 0 1 268.351 3.436 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000278540521 525573421 /nfs/dbraw/zinc/57/34/21/525573421.db2.gz NYRITYCUWJLXJG-OUJBWJOFSA-N 0 1 269.772 3.121 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)CCCO)c1ccc2ccccc2c1[O-] ZINC000094941573 525595947 /nfs/dbraw/zinc/59/59/47/525595947.db2.gz SFURJVSPHVCUHR-QWHCGFSZSA-N 0 1 273.376 3.357 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000289416828 526363493 /nfs/dbraw/zinc/36/34/93/526363493.db2.gz INUQRDZPVIHKSY-OAHLLOKOSA-N 0 1 291.778 3.259 20 10 CGCDMN C[C@@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCCC[C@H]1O ZINC000748243315 571673416 /nfs/dbraw/zinc/67/34/16/571673416.db2.gz XOYKHFRLTUAILS-CABCVRRESA-N 0 1 283.799 3.076 20 10 CGCDMN CCn1nc(C)c(C[NH2+]Cc2c([O-])cccc2Cl)c1C ZINC000733327316 572556232 /nfs/dbraw/zinc/55/62/32/572556232.db2.gz SCKOOADOTAWKPE-UHFFFAOYSA-N 0 1 293.798 3.169 20 10 CGCDMN C[C@H](CC1CCOCC1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000747100799 572909784 /nfs/dbraw/zinc/90/97/84/572909784.db2.gz VEQWIOCHLMUPIP-LLVKDONJSA-N 0 1 283.799 3.340 20 10 CGCDMN COc1cccc(CNC(C)(C)c2ncc(C)s2)c1O ZINC000175983063 618250560 /nfs/dbraw/zinc/25/05/60/618250560.db2.gz KLVGLSHFERKUNB-UHFFFAOYSA-N 0 1 292.404 3.191 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000051991393 618805525 /nfs/dbraw/zinc/80/55/25/618805525.db2.gz DXUPSTFYOZFZQZ-JLZZUVOBSA-N 0 1 285.387 3.500 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@H](C)O2)c(Cl)c1 ZINC000840953504 619256709 /nfs/dbraw/zinc/25/67/09/619256709.db2.gz TUKRISJEMZAQPL-QWRGUYRKSA-N 0 1 269.772 3.011 20 10 CGCDMN C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc2ccccc2c1[O-] ZINC000319760106 619465588 /nfs/dbraw/zinc/46/55/88/619465588.db2.gz QBBGRBAZWHLDOM-CYBMUJFWSA-N 0 1 295.386 3.172 20 10 CGCDMN C[C@@H]1CC2(CC([NH2+]Cc3cc(Cl)ccc3[O-])C2)CO1 ZINC000895155501 619759265 /nfs/dbraw/zinc/75/92/65/619759265.db2.gz JIMJHHJMYFZOKH-ZZJLNTIPSA-N 0 1 281.783 3.093 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895843852 619892875 /nfs/dbraw/zinc/89/28/75/619892875.db2.gz DKJMDWFXVVMDIK-HZMBPMFUSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000797904950 620238371 /nfs/dbraw/zinc/23/83/71/620238371.db2.gz SMLTVKXWVVJFMT-CHWSQXEVSA-N 0 1 251.757 3.324 20 10 CGCDMN CC[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])OC ZINC000841752997 620388413 /nfs/dbraw/zinc/38/84/13/620388413.db2.gz DLOSENKGTGNMJR-KOLCDFICSA-N 0 1 257.761 3.121 20 10 CGCDMN CC1(C)CC2(CC([NH2+]Cc3c([O-])cccc3Cl)C2)CO1 ZINC000897973013 620451782 /nfs/dbraw/zinc/45/17/82/620451782.db2.gz MMEOPHDYWGSJGB-UHFFFAOYSA-N 0 1 295.810 3.483 20 10 CGCDMN CC[C@@H](N[C@H](c1ncccn1)C1CC1)c1ccccc1O ZINC000903326654 621700102 /nfs/dbraw/zinc/70/01/02/621700102.db2.gz MDZJBHOVWPKJCZ-ZBFHGGJFSA-N 0 1 283.375 3.374 20 10 CGCDMN C[C@H]([NH2+]CC[C@H](O)C1CC1)c1ccc2ccccc2c1[O-] ZINC000903407084 621730461 /nfs/dbraw/zinc/73/04/61/621730461.db2.gz MMDVJTVAYHMXMD-SJCJKPOMSA-N 0 1 285.387 3.357 20 10 CGCDMN CSCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000134922349 625554507 /nfs/dbraw/zinc/55/45/07/625554507.db2.gz SKDQBQBPAHPIER-SECBINFHSA-N 0 1 259.802 3.449 20 10 CGCDMN CCOc1ncccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000151185163 622744431 /nfs/dbraw/zinc/74/44/31/622744431.db2.gz RJHFLLIVXYBRSX-AWEZNQCLSA-N 0 1 299.418 3.397 20 10 CGCDMN C[C@H]1CCC[C@](CNCc2cc(F)ccc2O)([NH+](C)C)C1 ZINC000226585995 622986867 /nfs/dbraw/zinc/98/68/67/622986867.db2.gz HDXUCGZDJZCTBM-GUYCJALGSA-N 0 1 294.414 3.131 20 10 CGCDMN Oc1ccccc1CNCc1occc1Br ZINC000227369587 623017903 /nfs/dbraw/zinc/01/79/03/623017903.db2.gz OKAMIDMBTUTOFX-UHFFFAOYSA-N 0 1 282.137 3.038 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1ccco1 ZINC000227434650 623019647 /nfs/dbraw/zinc/01/96/47/623019647.db2.gz LFOSYRYIBKMTDS-UHFFFAOYSA-N 0 1 296.164 3.080 20 10 CGCDMN CC[C@@H](N)C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817979569 625633102 /nfs/dbraw/zinc/63/31/02/625633102.db2.gz LWTVXWAKNVBQKD-SKDRFNHKSA-N 0 1 291.222 3.477 20 10 CGCDMN CS[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000230698218 623263723 /nfs/dbraw/zinc/26/37/23/623263723.db2.gz RGJOXXVEZKFGQY-VHSXEESVSA-N 0 1 271.813 3.419 20 10 CGCDMN Cc1cnc(CNCc2cc(Cl)ccc2O)s1 ZINC000230686982 623265181 /nfs/dbraw/zinc/26/51/81/623265181.db2.gz XNMGMEUFGXJRBY-UHFFFAOYSA-N 0 1 268.769 3.100 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)c1O ZINC000088706192 623487949 /nfs/dbraw/zinc/48/79/49/623487949.db2.gz YLYXDCHCYZEDEI-QWRGUYRKSA-N 0 1 279.355 3.354 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c1[O-] ZINC000088706192 623487957 /nfs/dbraw/zinc/48/79/57/623487957.db2.gz YLYXDCHCYZEDEI-QWRGUYRKSA-N 0 1 279.355 3.354 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)c1[O-] ZINC000088706192 623487965 /nfs/dbraw/zinc/48/79/65/623487965.db2.gz YLYXDCHCYZEDEI-QWRGUYRKSA-N 0 1 279.355 3.354 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)C2CCCC2)c1[O-] ZINC000184652729 625258425 /nfs/dbraw/zinc/25/84/25/625258425.db2.gz IVDOTZYACCBTCS-JTQLQIEISA-N 0 1 279.355 3.402 20 10 CGCDMN c1ccc2c(c1)COC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000922191553 625981945 /nfs/dbraw/zinc/98/19/45/625981945.db2.gz WNLULQCJFMEYAK-GOSISDBHSA-N 0 1 295.382 3.373 20 10 CGCDMN C[C@@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1ccn(C)n1 ZINC000840814968 626247257 /nfs/dbraw/zinc/24/72/57/626247257.db2.gz AOGNRKKPMNZCLF-GIPNMCIBSA-N 0 1 289.354 3.164 20 10 CGCDMN CC[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000842927807 626292020 /nfs/dbraw/zinc/29/20/20/626292020.db2.gz GVKQJZPVFSMLNH-XWIASGKRSA-N 0 1 269.772 3.264 20 10 CGCDMN C[C@H]([NH2+]CCOc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000756570201 626716213 /nfs/dbraw/zinc/71/62/13/626716213.db2.gz BJSXRXSWHQNHKP-NSHDSACASA-N 0 1 292.766 3.170 20 10 CGCDMN CC(C)c1cc(CN[C@H](C)c2cc(F)ccc2O)on1 ZINC000756573892 626716918 /nfs/dbraw/zinc/71/69/18/626716918.db2.gz STGQAFGGAFNWDE-SNVBAGLBSA-N 0 1 278.327 3.494 20 10 CGCDMN C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000756628375 626721872 /nfs/dbraw/zinc/72/18/72/626721872.db2.gz LUQZOAVVWDNJAF-RYUDHWBXSA-N 0 1 282.815 3.038 20 10 CGCDMN C[N@@H+](Cc1ccccn1)Cc1cccc(Cl)c1[O-] ZINC000757891258 626812406 /nfs/dbraw/zinc/81/24/06/626812406.db2.gz XSIPUHUQPNMGOI-UHFFFAOYSA-N 0 1 262.740 3.073 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000766222045 627304899 /nfs/dbraw/zinc/30/48/99/627304899.db2.gz DCKLZHRMOFQRHH-HNNXBMFYSA-N 0 1 294.826 3.152 20 10 CGCDMN CC[C@H]1CN(Cc2ccc(N(CC)CC)cc2)CCO1 ZINC000768236589 627470067 /nfs/dbraw/zinc/47/00/67/627470067.db2.gz GWEQNZVHRFHXSE-KRWDZBQOSA-N 0 1 276.424 3.144 20 10 CGCDMN CC1(C)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769398138 627548619 /nfs/dbraw/zinc/54/86/19/627548619.db2.gz GRRKWGQKNZUWBV-UHFFFAOYSA-N 0 1 284.743 3.186 20 10 CGCDMN C[C@H](N[C@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000769991610 627596492 /nfs/dbraw/zinc/59/64/92/627596492.db2.gz YZRQVSCTOFIPHJ-BLLLJJGKSA-N 0 1 290.432 3.198 20 10 CGCDMN CC[C@@H]1CN(Cc2ccc(N(C)CC)cc2)C[C@@H](C)O1 ZINC000773757865 627912052 /nfs/dbraw/zinc/91/20/52/627912052.db2.gz QSYASQZRSBJPHZ-RHSMWYFYSA-N 0 1 276.424 3.142 20 10 CGCDMN CC[C@H]1CN(Cc2ccc(N(C)CC)cc2)C[C@@H](C)O1 ZINC000773757864 627912337 /nfs/dbraw/zinc/91/23/37/627912337.db2.gz QSYASQZRSBJPHZ-PBHICJAKSA-N 0 1 276.424 3.142 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)COC)c1cc(Cl)ccc1[O-] ZINC000775483229 628097822 /nfs/dbraw/zinc/09/78/22/628097822.db2.gz POFACPGLRBYVBG-SKDRFNHKSA-N 0 1 257.761 3.121 20 10 CGCDMN CC[C@H]([NH2+]CC1(C)COC1)c1cc(Cl)ccc1[O-] ZINC000775503645 628102091 /nfs/dbraw/zinc/10/20/91/628102091.db2.gz LJLCRGJZGUNOGW-LBPRGKRZSA-N 0 1 269.772 3.123 20 10 CGCDMN CC[C@@H]([NH2+][C@H](CCO)C1CC1)c1cc(Cl)ccc1[O-] ZINC000775526879 628103937 /nfs/dbraw/zinc/10/39/37/628103937.db2.gz MUCFXNAWTRVERD-ZIAGYGMSSA-N 0 1 283.799 3.247 20 10 CGCDMN CC[C@H]([NH2+]C1COC(C)(C)OC1)c1cc(Cl)ccc1[O-] ZINC000775552826 628105542 /nfs/dbraw/zinc/10/55/42/628105542.db2.gz XHIPKDZFUMKURK-ZDUSSCGKSA-N 0 1 299.798 3.238 20 10 CGCDMN CC[C@@H]([NH2+]CCC1(C)OCCO1)c1cc(Cl)ccc1[O-] ZINC000775555679 628106358 /nfs/dbraw/zinc/10/63/58/628106358.db2.gz OBYKPOTZUHSDBY-CYBMUJFWSA-N 0 1 299.798 3.239 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775737917 628131104 /nfs/dbraw/zinc/13/11/04/628131104.db2.gz VKDDILWLNXPYQM-SECBINFHSA-N 0 1 257.736 3.417 20 10 CGCDMN Cc1cccc(CNCc2nc3cc(F)ccc3n2C)c1O ZINC000776215339 628181630 /nfs/dbraw/zinc/18/16/30/628181630.db2.gz ZYWDRXMCSCLPOA-UHFFFAOYSA-N 0 1 299.349 3.016 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCC(F)(F)C1 ZINC000776695167 628225560 /nfs/dbraw/zinc/22/55/60/628225560.db2.gz UDYSONAXGWHLME-UHFFFAOYSA-N 0 1 265.662 3.026 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1F ZINC000779151125 628391165 /nfs/dbraw/zinc/39/11/65/628391165.db2.gz VMKCGINIMAROHK-BXKDBHETSA-N 0 1 257.736 3.226 20 10 CGCDMN Oc1c(Br)cccc1CN1CCC=C(F)C1 ZINC000780895410 628523060 /nfs/dbraw/zinc/52/30/60/628523060.db2.gz RZTVVCCRAVRPCS-UHFFFAOYSA-N 0 1 286.144 3.214 20 10 CGCDMN Cc1oncc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000782481992 628649429 /nfs/dbraw/zinc/64/94/29/628649429.db2.gz IDLBRPRRXFYKSU-UHFFFAOYSA-N 0 1 285.391 3.214 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2ncsc2C1 ZINC000783742971 628744675 /nfs/dbraw/zinc/74/46/75/628744675.db2.gz CQVPMWOHLKALLZ-UHFFFAOYSA-N 0 1 280.780 3.060 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCc2ncsc2C1 ZINC000783742971 628744677 /nfs/dbraw/zinc/74/46/77/628744677.db2.gz CQVPMWOHLKALLZ-UHFFFAOYSA-N 0 1 280.780 3.060 20 10 CGCDMN CC[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000787994266 629038327 /nfs/dbraw/zinc/03/83/27/629038327.db2.gz FGXYBHIYTFDXJI-XHDPSFHLSA-N 0 1 279.355 3.402 20 10 CGCDMN C[C@H]1C[C@H](C)[NH+]1Cc1c([O-])cccc1Br ZINC000862351338 629347276 /nfs/dbraw/zinc/34/72/76/629347276.db2.gz NBYGCIFRJVBLBW-IUCAKERBSA-N 0 1 270.170 3.137 20 10 CGCDMN COCC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000800493096 630287699 /nfs/dbraw/zinc/28/76/99/630287699.db2.gz JFSKGMNLQNQXOZ-DGCLKSJQSA-N 0 1 293.382 3.486 20 10 CGCDMN C[C@@H](NC1(C(F)F)CC1)c1cc(F)cc(F)c1O ZINC000800502023 630289608 /nfs/dbraw/zinc/28/96/08/630289608.db2.gz KEUGYVOSWYZQOX-ZCFIWIBFSA-N 0 1 263.234 3.119 20 10 CGCDMN CC[C@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808702477 630295634 /nfs/dbraw/zinc/29/56/34/630295634.db2.gz XKODKVMKJYZKFP-NWDGAFQWSA-N 0 1 285.815 3.413 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](C)COC ZINC000802657699 630403858 /nfs/dbraw/zinc/40/38/58/630403858.db2.gz NVPHMQJCUTZLNM-CQSZACIVSA-N 0 1 265.397 3.277 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](C)COC ZINC000802657699 630403859 /nfs/dbraw/zinc/40/38/59/630403859.db2.gz NVPHMQJCUTZLNM-CQSZACIVSA-N 0 1 265.397 3.277 20 10 CGCDMN CC[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807834085 630599887 /nfs/dbraw/zinc/59/98/87/630599887.db2.gz IMUWDRCPPDOJCO-ZETCQYMHSA-N 0 1 276.163 3.361 20 10 CGCDMN CCC[N@@H+](CCN1CCCC1)Cc1cccc(Cl)c1[O-] ZINC000809700219 630785816 /nfs/dbraw/zinc/78/58/16/630785816.db2.gz ANXGYVJVRXFCNL-UHFFFAOYSA-N 0 1 296.842 3.353 20 10 CGCDMN COc1cccc(O)c1CN1CCOc2ccc(C)cc2C1 ZINC000809703344 630787153 /nfs/dbraw/zinc/78/71/53/630787153.db2.gz IXHNDVMBQJZGGD-UHFFFAOYSA-N 0 1 299.370 3.104 20 10 CGCDMN CCOC1CC([N@@H+](C)Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809774695 630804231 /nfs/dbraw/zinc/80/42/31/630804231.db2.gz XGYVVXMSLMVNSZ-UHFFFAOYSA-N 0 1 287.762 3.184 20 10 CGCDMN C[C@H](NCc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC000809784699 630808557 /nfs/dbraw/zinc/80/85/57/630808557.db2.gz XTUSUKSCUKVOHM-YFKPBYRVSA-N 0 1 271.641 3.225 20 10 CGCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)[C@@H]1[C@@H]1CCCO1 ZINC000811511061 631080840 /nfs/dbraw/zinc/08/08/40/631080840.db2.gz SZEXZVHMRFKNJU-LSDHHAIUSA-N 0 1 295.810 3.435 20 10 CGCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)[C@@H]1[C@@H]1CCCO1 ZINC000811511061 631080845 /nfs/dbraw/zinc/08/08/45/631080845.db2.gz SZEXZVHMRFKNJU-LSDHHAIUSA-N 0 1 295.810 3.435 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H](C)OC ZINC000812807769 631316750 /nfs/dbraw/zinc/31/67/50/631316750.db2.gz WPHHAZGMSLSUSF-SECBINFHSA-N 0 1 275.751 3.042 20 10 CGCDMN CC[C@H]([NH2+]Cc1snnc1C)c1cc(Cl)ccc1[O-] ZINC000813884661 631476265 /nfs/dbraw/zinc/47/62/65/631476265.db2.gz YBLYRWSYQUXSRL-NSHDSACASA-N 0 1 297.811 3.446 20 10 CGCDMN COCC(C)(C)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000813883888 631476866 /nfs/dbraw/zinc/47/68/66/631476866.db2.gz YRZXMAKYKPBYMU-PWSUYJOCSA-N 0 1 281.371 3.342 20 10 CGCDMN CO[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816491167 631992198 /nfs/dbraw/zinc/99/21/98/631992198.db2.gz AWCCSAZSDGABCU-OAHLLOKOSA-N 0 1 271.360 3.156 20 10 CGCDMN CO[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816491167 631992206 /nfs/dbraw/zinc/99/22/06/631992206.db2.gz AWCCSAZSDGABCU-OAHLLOKOSA-N 0 1 271.360 3.156 20 10 CGCDMN CO[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816491167 631992213 /nfs/dbraw/zinc/99/22/13/631992213.db2.gz AWCCSAZSDGABCU-OAHLLOKOSA-N 0 1 271.360 3.156 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000816520687 632002905 /nfs/dbraw/zinc/00/29/05/632002905.db2.gz VPSSOJIKSDLCGT-IINYFYTJSA-N 0 1 299.773 3.186 20 10 CGCDMN C[C@H]1CCCN1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816563212 632013481 /nfs/dbraw/zinc/01/34/81/632013481.db2.gz ODVDUJUCBSFINC-AWEZNQCLSA-N 0 1 284.403 3.119 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)[C@H](C)[C@H](C)O1 ZINC000816586361 632017335 /nfs/dbraw/zinc/01/73/35/632017335.db2.gz GHAILAKGSMXYGW-BBBLOLIVSA-N 0 1 287.762 3.182 20 10 CGCDMN CC1=CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816598935 632021990 /nfs/dbraw/zinc/02/19/90/632021990.db2.gz VYUYMNMCAWAIRO-UHFFFAOYSA-N 0 1 255.720 3.337 20 10 CGCDMN CC(C)C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816612565 632023332 /nfs/dbraw/zinc/02/33/32/632023332.db2.gz SFWLHSSEDFTVAC-NSHDSACASA-N 0 1 289.778 3.024 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000816630844 632025830 /nfs/dbraw/zinc/02/58/30/632025830.db2.gz UMHVDUFQVQVUAI-ZDUSSCGKSA-N 0 1 299.773 3.064 20 10 CGCDMN CCNCC[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817951173 632247665 /nfs/dbraw/zinc/24/76/65/632247665.db2.gz AJZFZXARYLOAKQ-LBPRGKRZSA-N 0 1 291.222 3.349 20 10 CGCDMN CCNCC[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817951172 632248087 /nfs/dbraw/zinc/24/80/87/632248087.db2.gz AJZFZXARYLOAKQ-GFCCVEGCSA-N 0 1 291.222 3.349 20 10 CGCDMN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1O ZINC000818631548 632343978 /nfs/dbraw/zinc/34/39/78/632343978.db2.gz IXOGQOBYRJOQMK-ZANVPECISA-N 0 1 297.782 3.039 20 10 CGCDMN C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000866462891 633144372 /nfs/dbraw/zinc/14/43/72/633144372.db2.gz CLAUNCMGXDWZTA-HFJPGXAFSA-N 0 1 297.704 3.008 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(Cl)cc1[O-] ZINC000866633146 633222550 /nfs/dbraw/zinc/22/25/50/633222550.db2.gz FZXMMVOURNXIOH-ZWNOBZJWSA-N 0 1 291.782 3.428 20 10 CGCDMN CC(C)N(Cc1ccc(N2CCCCC2)cc1)C1COC1 ZINC000824471882 633248757 /nfs/dbraw/zinc/24/87/57/633248757.db2.gz IHBORIMVMNEHMA-UHFFFAOYSA-N 0 1 288.435 3.286 20 10 CGCDMN CC[C@H](NCc1cc(Cl)cc(F)c1O)C(F)F ZINC000824510191 633251512 /nfs/dbraw/zinc/25/15/12/633251512.db2.gz SNSWCSOYXLNPBZ-VIFPVBQESA-N 0 1 267.678 3.318 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCSC2)cc1Cl ZINC000824556399 633259111 /nfs/dbraw/zinc/25/91/11/633259111.db2.gz RGVKLLQIAIBVBU-NSHDSACASA-N 0 1 271.813 3.291 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCSC2)cc1Cl ZINC000824556399 633259115 /nfs/dbraw/zinc/25/91/15/633259115.db2.gz RGVKLLQIAIBVBU-NSHDSACASA-N 0 1 271.813 3.291 20 10 CGCDMN CS[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000824683485 633272043 /nfs/dbraw/zinc/27/20/43/633272043.db2.gz LNRYXJFEKVSSKG-AWEZNQCLSA-N 0 1 273.401 3.483 20 10 CGCDMN CS[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000824683485 633272046 /nfs/dbraw/zinc/27/20/46/633272046.db2.gz LNRYXJFEKVSSKG-AWEZNQCLSA-N 0 1 273.401 3.483 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCSC2)cc1Cl ZINC000825331112 633347097 /nfs/dbraw/zinc/34/70/97/633347097.db2.gz IMGYZJGIHHSIJG-NSHDSACASA-N 0 1 271.813 3.339 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCCCO2)cc1Cl ZINC000825475807 633356853 /nfs/dbraw/zinc/35/68/53/633356853.db2.gz VRKNVWQAXPDACH-ZDUSSCGKSA-N 0 1 283.799 3.403 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCOCC2CCC2)cc1Cl ZINC000825525338 633362082 /nfs/dbraw/zinc/36/20/82/633362082.db2.gz BUBROSJRNZGWIA-UHFFFAOYSA-N 0 1 283.799 3.260 20 10 CGCDMN C[C@@H]1C[C@H](C)N1Cc1ccc(Br)cc1O ZINC000825738556 633379475 /nfs/dbraw/zinc/37/94/75/633379475.db2.gz PRSLFANKNPWKPL-DTORHVGOSA-N 0 1 270.170 3.137 20 10 CGCDMN C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825738556 633379481 /nfs/dbraw/zinc/37/94/81/633379481.db2.gz PRSLFANKNPWKPL-DTORHVGOSA-N 0 1 270.170 3.137 20 10 CGCDMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825738556 633379487 /nfs/dbraw/zinc/37/94/87/633379487.db2.gz PRSLFANKNPWKPL-DTORHVGOSA-N 0 1 270.170 3.137 20 10 CGCDMN COC1(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])CCC1 ZINC000826011796 633396657 /nfs/dbraw/zinc/39/66/57/633396657.db2.gz IHZRJISREGPDOU-UHFFFAOYSA-N 0 1 283.799 3.403 20 10 CGCDMN Cc1ccncc1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826064970 633401851 /nfs/dbraw/zinc/40/18/51/633401851.db2.gz RUTVRBBWURGPDV-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN CO[C@@H]([C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000826089360 633404031 /nfs/dbraw/zinc/40/40/31/633404031.db2.gz FRJOQWWOQGNRBI-BMIGLBTASA-N 0 1 283.799 3.257 20 10 CGCDMN CCn1cc([C@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])cn1 ZINC000826097274 633404885 /nfs/dbraw/zinc/40/48/85/633404885.db2.gz WURUGICCXYUDHB-NSHDSACASA-N 0 1 293.798 3.421 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCN2C(C)(C)C)cc1Cl ZINC000826791654 633433668 /nfs/dbraw/zinc/43/36/68/633433668.db2.gz YXCNTFOQQCZHHU-CYBMUJFWSA-N 0 1 296.842 3.316 20 10 CGCDMN Cc1nccnc1[C@H](C)N[C@H](C)c1cc(F)ccc1O ZINC000872134077 634057832 /nfs/dbraw/zinc/05/78/32/634057832.db2.gz RAPZDGLKTUTKGH-KOLCDFICSA-N 0 1 275.327 3.042 20 10 CGCDMN CCn1ccnc1[C@H](C)N[C@H](C)c1ccccc1O ZINC000834894797 634271742 /nfs/dbraw/zinc/27/17/42/634271742.db2.gz MGRQFQFJBYZTRZ-NEPJUHHUSA-N 0 1 259.353 3.020 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@H]2C2CC2)ccc(F)c1F ZINC000876689365 634881651 /nfs/dbraw/zinc/88/16/51/634881651.db2.gz CKKCZVRKEIDGBV-LBPRGKRZSA-N 0 1 253.292 3.045 20 10 CGCDMN COC1CCC([N@@H+](C)Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876738210 634888422 /nfs/dbraw/zinc/88/84/22/634888422.db2.gz XSTANUZQTZJSDZ-UHFFFAOYSA-N 0 1 285.334 3.060 20 10 CGCDMN Cc1cccc(O)c1CN1CCOC[C@H]1c1ccccc1 ZINC000876771638 634897126 /nfs/dbraw/zinc/89/71/26/634897126.db2.gz VSTQQMMLNVRELV-KRWDZBQOSA-N 0 1 283.371 3.274 20 10 CGCDMN Cc1ccc([C@H](C)N[C@@H](C)c2ccn(C)n2)c(O)c1C ZINC000840816730 635057916 /nfs/dbraw/zinc/05/79/16/635057916.db2.gz OWFAINAKSXLVDU-STQMWFEESA-N 0 1 273.380 3.154 20 10 CGCDMN Cc1ncc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)s1 ZINC000840888940 635076320 /nfs/dbraw/zinc/07/63/20/635076320.db2.gz BJNUFYFXSJELDD-UHFFFAOYSA-N 0 1 282.796 3.409 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(CO)c2)c(Cl)c1 ZINC000840890938 635076402 /nfs/dbraw/zinc/07/64/02/635076402.db2.gz DQACSQAWUFQDME-UHFFFAOYSA-N 0 1 291.778 3.136 20 10 CGCDMN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840898605 635078248 /nfs/dbraw/zinc/07/82/48/635078248.db2.gz YWUHKVKAPFZKEO-ABAIWWIYSA-N 0 1 285.815 3.241 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c(Cl)c1 ZINC000840917752 635083124 /nfs/dbraw/zinc/08/31/24/635083124.db2.gz MEABOKBMVOQSMQ-VXGBXAGGSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c(Cl)c1 ZINC000840917752 635083127 /nfs/dbraw/zinc/08/31/27/635083127.db2.gz MEABOKBMVOQSMQ-VXGBXAGGSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc(N(C)C)ccc1CNCc1cc(C(C)C)no1 ZINC000840934586 635084991 /nfs/dbraw/zinc/08/49/91/635084991.db2.gz UAKZTKHPZRIVNY-UHFFFAOYSA-N 0 1 287.407 3.462 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN(C)Cc1ccccn1 ZINC000840940213 635087308 /nfs/dbraw/zinc/08/73/08/635087308.db2.gz WYNXKEKMVMEROH-UHFFFAOYSA-N 0 1 269.392 3.088 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2CC(F)(F)C2)c(Cl)c1 ZINC000840942038 635088361 /nfs/dbraw/zinc/08/83/61/635088361.db2.gz QFPRSIWYPXUKBX-UHFFFAOYSA-N 0 1 261.699 3.241 20 10 CGCDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N(CC)CC)cc1 ZINC000840996656 635101175 /nfs/dbraw/zinc/10/11/75/635101175.db2.gz GIRPNUHNUVSMOG-CQSZACIVSA-N 0 1 292.423 3.218 20 10 CGCDMN COCC1(C2CC2)C[NH+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000877685959 635146072 /nfs/dbraw/zinc/14/60/72/635146072.db2.gz IZAQKUVGVRBRFN-UHFFFAOYSA-N 0 1 295.810 3.212 20 10 CGCDMN CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747129 635223606 /nfs/dbraw/zinc/22/36/06/635223606.db2.gz ODUUMQKBLMWJMG-NEPJUHHUSA-N 0 1 284.831 3.427 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841747349 635223679 /nfs/dbraw/zinc/22/36/79/635223679.db2.gz AOFFAZSKUPPPEE-VXNVDRBHSA-N 0 1 297.704 3.010 20 10 CGCDMN C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841747342 635224125 /nfs/dbraw/zinc/22/41/25/635224125.db2.gz AOFFAZSKUPPPEE-APPZFPTMSA-N 0 1 297.704 3.010 20 10 CGCDMN CC(C)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(C)(C)O ZINC000841752350 635225099 /nfs/dbraw/zinc/22/50/99/635225099.db2.gz OQMXGBBSJAOPNE-HZMBPMFUSA-N 0 1 285.815 3.492 20 10 CGCDMN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841759022 635232705 /nfs/dbraw/zinc/23/27/05/635232705.db2.gz WZOUTKXPLUZUIV-KXUCPTDWSA-N 0 1 257.761 3.120 20 10 CGCDMN C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841765577 635234408 /nfs/dbraw/zinc/23/44/08/635234408.db2.gz ZUNGWHYNPAEERH-XHDPSFHLSA-N 0 1 291.778 3.430 20 10 CGCDMN COCC1(CC[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000843418991 635662828 /nfs/dbraw/zinc/66/28/28/635662828.db2.gz NONISUWZALIDLQ-UHFFFAOYSA-N 0 1 285.387 3.452 20 10 CGCDMN COC(=O)[C@H](CC(C)(C)C)NCc1cccc(Cl)c1O ZINC000843424014 635668808 /nfs/dbraw/zinc/66/88/08/635668808.db2.gz SYJKOVMEPIKVEX-LBPRGKRZSA-N 0 1 299.798 3.113 20 10 CGCDMN C[C@@H]1CN(Cc2cc(F)ccc2O)CC2(CCCC2)O1 ZINC000843435695 635676675 /nfs/dbraw/zinc/67/66/75/635676675.db2.gz XJADPRPNQPBVJD-GFCCVEGCSA-N 0 1 279.355 3.065 20 10 CGCDMN CC[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)[C@@H](C)CO1 ZINC000846043947 636137871 /nfs/dbraw/zinc/13/78/71/636137871.db2.gz DUOPOHUOIHGURT-GXSJLCMTSA-N 0 1 287.762 3.184 20 10 CGCDMN [O-]c1c(C[NH2+]CCC2(CO)CCC2)ccc2ccccc21 ZINC000846103866 636142723 /nfs/dbraw/zinc/14/27/23/636142723.db2.gz ARGQCJSWKOBKLP-UHFFFAOYSA-N 0 1 285.387 3.188 20 10 CGCDMN CCc1cnc(CN[C@@H](C)c2cccc(OC)c2O)s1 ZINC000846143535 636149306 /nfs/dbraw/zinc/14/93/06/636149306.db2.gz CKEVAHZPKQHXCG-JTQLQIEISA-N 0 1 292.404 3.271 20 10 CGCDMN C[C@@H]([NH2+]CC1(CO)CCCCC1)c1cc(F)ccc1[O-] ZINC000130826978 636516964 /nfs/dbraw/zinc/51/69/64/636516964.db2.gz IVWITYBKYQGWJV-GFCCVEGCSA-N 0 1 281.371 3.125 20 10 CGCDMN CC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000132438442 636808053 /nfs/dbraw/zinc/80/80/53/636808053.db2.gz BYFRQDUTUJJBFK-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1C ZINC000132756377 636835382 /nfs/dbraw/zinc/83/53/82/636835382.db2.gz LSLBPOAAYVYUQK-AOOOYVTPSA-N 0 1 284.197 3.243 20 10 CGCDMN C[C@H]1C[N@H+](Cc2cc(Br)ccc2[O-])C[C@H]1C ZINC000132756377 636835385 /nfs/dbraw/zinc/83/53/85/636835385.db2.gz LSLBPOAAYVYUQK-AOOOYVTPSA-N 0 1 284.197 3.243 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc(Br)ccc2[O-])C[C@H]1C ZINC000132756377 636835390 /nfs/dbraw/zinc/83/53/90/636835390.db2.gz LSLBPOAAYVYUQK-AOOOYVTPSA-N 0 1 284.197 3.243 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c(Cl)c1 ZINC000850344025 637021427 /nfs/dbraw/zinc/02/14/27/637021427.db2.gz VFBWAWZRXMKUKD-LBPRGKRZSA-N 0 1 296.842 3.316 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc(Br)ccc1[O-] ZINC000134915130 637050164 /nfs/dbraw/zinc/05/01/64/637050164.db2.gz OUWLHIHNLFHBQE-UTLUCORTSA-N 0 1 284.197 3.461 20 10 CGCDMN C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(Cl)ccc1[O-] ZINC000850520416 637100432 /nfs/dbraw/zinc/10/04/32/637100432.db2.gz BEAFWBIOAPBZHY-PELKAZGASA-N 0 1 291.725 3.120 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(Cl)cc1[O-] ZINC000850524417 637103332 /nfs/dbraw/zinc/10/33/32/637103332.db2.gz YDXFQCRRKFKGTM-PWSUYJOCSA-N 0 1 281.783 3.408 20 10 CGCDMN CC[C@H](NCc1nccc(OC)c1F)c1ccccc1O ZINC000850536321 637112193 /nfs/dbraw/zinc/11/21/93/637112193.db2.gz FLHGYXYJHQITBW-LBPRGKRZSA-N 0 1 290.338 3.176 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@@]12CCOC2 ZINC000886027861 637373293 /nfs/dbraw/zinc/37/32/93/637373293.db2.gz JPUAWOFVMSXKCQ-NVXWUHKLSA-N 0 1 275.392 3.031 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@@]12CCOC2 ZINC000886027861 637373299 /nfs/dbraw/zinc/37/32/99/637373299.db2.gz JPUAWOFVMSXKCQ-NVXWUHKLSA-N 0 1 275.392 3.031 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@]12CCOC2 ZINC000886192451 637453708 /nfs/dbraw/zinc/45/37/08/637453708.db2.gz XBFGJQJYIPGOIP-AEFFLSMTSA-N 0 1 289.419 3.421 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@]12CCOC2 ZINC000886192451 637453713 /nfs/dbraw/zinc/45/37/13/637453713.db2.gz XBFGJQJYIPGOIP-AEFFLSMTSA-N 0 1 289.419 3.421 20 10 CGCDMN Cc1cc(N(C)C)ccc1CNCc1ccccc1[N+](=O)[O-] ZINC000115629588 638569564 /nfs/dbraw/zinc/56/95/64/638569564.db2.gz ZICHFTAYKGPCOP-UHFFFAOYSA-N 0 1 299.374 3.259 20 10 CGCDMN CCOc1cccc(C[N@H+]2CCCC[C@H](C)C2)c1O ZINC000187514583 639695437 /nfs/dbraw/zinc/69/54/37/639695437.db2.gz VHHCOGSSPBWNEO-ZDUSSCGKSA-N 0 1 263.381 3.413 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[NH+]2C[C@H](C)[C@@H](C)C2)c1[O-] ZINC000092086289 640730993 /nfs/dbraw/zinc/73/09/93/640730993.db2.gz DWKXZWUFOYOMMV-UWVGGRQHSA-N 0 1 281.783 3.336 20 10 CGCDMN CC[N@H+](Cc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000093338770 640767708 /nfs/dbraw/zinc/76/77/08/640767708.db2.gz BQGRSJAFNJYPDW-UHFFFAOYSA-N 0 1 276.767 3.463 20 10 CGCDMN CC[N@@H+](Cc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000093338770 640767717 /nfs/dbraw/zinc/76/77/17/640767717.db2.gz BQGRSJAFNJYPDW-UHFFFAOYSA-N 0 1 276.767 3.463 20 10 CGCDMN Cc1nc(C)c(CC[NH2+]Cc2c([O-])cccc2Cl)s1 ZINC000113340105 640976463 /nfs/dbraw/zinc/97/64/63/640976463.db2.gz SGQWWMGBMMBOKI-UHFFFAOYSA-N 0 1 296.823 3.451 20 10 CGCDMN CCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC000037323090 798866180 /nfs/dbraw/zinc/86/61/80/798866180.db2.gz FMRLKPDKGMRACP-UHFFFAOYSA-N 0 1 265.328 3.108 20 10 CGCDMN CC[C@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037914574 798879622 /nfs/dbraw/zinc/87/96/22/798879622.db2.gz CEZURTHEGMYBJK-ZDUSSCGKSA-N 0 1 265.328 3.108 20 10 CGCDMN CC[C@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037914574 798879629 /nfs/dbraw/zinc/87/96/29/798879629.db2.gz CEZURTHEGMYBJK-ZDUSSCGKSA-N 0 1 265.328 3.108 20 10 CGCDMN Cc1csc([C@@H](C)N[C@H]2CCc3cccc(O)c32)n1 ZINC000389192475 799460980 /nfs/dbraw/zinc/46/09/80/799460980.db2.gz ORTLNUSFXHIZPX-PWSUYJOCSA-N 0 1 274.389 3.495 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@@H]1C ZINC000390530715 799472196 /nfs/dbraw/zinc/47/21/96/799472196.db2.gz IJOSRHCZJDQDND-LNLATYFQSA-N 0 1 284.197 3.289 20 10 CGCDMN Cc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000400929153 799551819 /nfs/dbraw/zinc/55/18/19/799551819.db2.gz NFHDHGNMZMLNNG-AWEZNQCLSA-N 0 1 269.392 3.307 20 10 CGCDMN Oc1ccc(Cl)cc1CN1CCC(F)(F)CC1 ZINC000404801151 799579084 /nfs/dbraw/zinc/57/90/84/799579084.db2.gz UIHSUCGGJHSTIE-UHFFFAOYSA-N 0 1 261.699 3.277 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(F)(F)CC1 ZINC000404801151 799579088 /nfs/dbraw/zinc/57/90/88/799579088.db2.gz UIHSUCGGJHSTIE-UHFFFAOYSA-N 0 1 261.699 3.277 20 10 CGCDMN CC(C)(C)N1CC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000690344656 799775245 /nfs/dbraw/zinc/77/52/45/799775245.db2.gz WQIKYTQTPVCTKI-NSHDSACASA-N 0 1 282.815 3.008 20 10 CGCDMN C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691394129 799783313 /nfs/dbraw/zinc/78/33/13/799783313.db2.gz AOPRWLDZLGJQLA-KCJUWKMLSA-N 0 1 270.170 3.043 20 10 CGCDMN CC/C=C/C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691479301 799785691 /nfs/dbraw/zinc/78/56/91/799785691.db2.gz YYGVTKACMXFOAL-ONEGZZNKSA-N 0 1 270.170 3.211 20 10 CGCDMN CC1(C)CC[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)O1 ZINC000691796073 799786135 /nfs/dbraw/zinc/78/61/35/799786135.db2.gz DUAKIFJKXFIWIK-JTQLQIEISA-N 0 1 269.772 3.093 20 10 CGCDMN COC1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000703821288 799929913 /nfs/dbraw/zinc/92/99/13/799929913.db2.gz CRNWYZDSBFZFNY-UHFFFAOYSA-N 0 1 269.772 3.093 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+]C/C=C/C1CC1 ZINC000706835337 799967481 /nfs/dbraw/zinc/96/74/81/799967481.db2.gz ULYUXPANOSUBFX-NSCUHMNNSA-N 0 1 282.181 3.211 20 10 CGCDMN C[C@H]1CC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000706829130 799967989 /nfs/dbraw/zinc/96/79/89/799967989.db2.gz MAHNBXKSZSRDIF-GZMMTYOYSA-N 0 1 270.170 3.043 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000707138893 799973678 /nfs/dbraw/zinc/97/36/78/799973678.db2.gz IOGUODLZSGAAQC-QWRGUYRKSA-N 0 1 296.208 3.387 20 10 CGCDMN Oc1cccc2c1[C@H](NCc1ncc(Cl)s1)CC2 ZINC000719394959 800237891 /nfs/dbraw/zinc/23/78/91/800237891.db2.gz MKRUOKAFZJAEHV-SECBINFHSA-N 0 1 280.780 3.279 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723650694 800335366 /nfs/dbraw/zinc/33/53/66/800335366.db2.gz NEMVEMGLJWSBGN-LALPHHSUSA-N 0 1 295.810 3.340 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H]1CCCOC1 ZINC000724011058 800352560 /nfs/dbraw/zinc/35/25/60/800352560.db2.gz KBVJETYKMTVODV-ZOWXZIJZSA-N 0 1 281.371 3.387 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(C)CC2(F)F)c(Cl)c1 ZINC000850379526 800517999 /nfs/dbraw/zinc/51/79/99/800517999.db2.gz SHJNXDTZDLGNLB-GFCCVEGCSA-N 0 1 275.726 3.489 20 10 CGCDMN COC1CCC([NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001118640785 802592086 /nfs/dbraw/zinc/59/20/86/802592086.db2.gz RDCMVTIYRRMDIU-UHFFFAOYSA-N 0 1 283.799 3.401 20 10 CGCDMN Cc1cnc(C(C)(C)NCc2ccc(N)cc2)s1 ZINC001120370587 802742888 /nfs/dbraw/zinc/74/28/88/802742888.db2.gz BGUQHEWZFAJOFQ-UHFFFAOYSA-N 0 1 261.394 3.059 20 10 CGCDMN C[N@@H+](Cc1cccs1)Cc1c([O-])cccc1F ZINC001137837302 803779281 /nfs/dbraw/zinc/77/92/81/803779281.db2.gz AMNPYGURHRXHSM-UHFFFAOYSA-N 0 1 251.326 3.225 20 10 CGCDMN CC[C@@H](C)[N@@H+](C)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139125364 804133691 /nfs/dbraw/zinc/13/36/91/804133691.db2.gz SULWQHVSFHWCQV-LLVKDONJSA-N 0 1 275.348 3.037 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001139682652 804251526 /nfs/dbraw/zinc/25/15/26/804251526.db2.gz AOJNRVDUVCRIBB-SSDOTTSWSA-N 0 1 281.224 3.055 20 10 CGCDMN CC1(F)CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC001140337806 804417776 /nfs/dbraw/zinc/41/77/76/804417776.db2.gz GKYREZDYPHWRAZ-UHFFFAOYSA-N 0 1 257.736 3.370 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)CC[C@@]1(C)O ZINC001140461812 804441929 /nfs/dbraw/zinc/44/19/29/804441929.db2.gz ULKKUORVNYFEJL-XHDPSFHLSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])CC[C@@]1(C)O ZINC001140461812 804441937 /nfs/dbraw/zinc/44/19/37/804441937.db2.gz ULKKUORVNYFEJL-XHDPSFHLSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])CC[C@@]1(C)O ZINC001140461812 804441943 /nfs/dbraw/zinc/44/19/43/804441943.db2.gz ULKKUORVNYFEJL-XHDPSFHLSA-N 0 1 283.799 3.029 20 10 CGCDMN C[N@@H+](Cc1ccc(Cl)cc1[O-])C[C@H]1CCCCO1 ZINC001140467260 804442892 /nfs/dbraw/zinc/44/28/92/804442892.db2.gz SJHOPGINHQGRPD-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN C[N@H+](Cc1ccc(Cl)cc1[O-])C[C@H]1CCCCO1 ZINC001140467260 804442896 /nfs/dbraw/zinc/44/28/96/804442896.db2.gz SJHOPGINHQGRPD-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])[C@H](C)C1 ZINC001140468603 804443567 /nfs/dbraw/zinc/44/35/67/804443567.db2.gz QGULFBUZMXDUMM-MFKMUULPSA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])[C@H](C)C1 ZINC001140468603 804443569 /nfs/dbraw/zinc/44/35/69/804443569.db2.gz QGULFBUZMXDUMM-MFKMUULPSA-N 0 1 269.772 3.045 20 10 CGCDMN C[N@@H+](CCc1ccccc1F)Cc1c([O-])cc(F)cc1F ZINC001140585594 804468458 /nfs/dbraw/zinc/46/84/58/804468458.db2.gz PBZYZQJUWNTTRT-UHFFFAOYSA-N 0 1 295.304 3.484 20 10 CGCDMN CCCO[C@H]1CCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924149 804551345 /nfs/dbraw/zinc/55/13/45/804551345.db2.gz NAPFOLYVQKZGFN-HNNXBMFYSA-N 0 1 296.842 3.407 20 10 CGCDMN COc1cc([O-])c(C[N@H+](CC2CC2)C(C)C)c(OC)c1 ZINC001141028071 804575711 /nfs/dbraw/zinc/57/57/11/804575711.db2.gz ADFARFZWMISLGY-UHFFFAOYSA-N 0 1 279.380 3.030 20 10 CGCDMN COc1cc([O-])c(C[N@@H+](CC2CC2)C(C)C)c(OC)c1 ZINC001141028071 804575714 /nfs/dbraw/zinc/57/57/14/804575714.db2.gz ADFARFZWMISLGY-UHFFFAOYSA-N 0 1 279.380 3.030 20 10 CGCDMN COc1ccccc1[C@@H](C)N(C)Cc1cc(O)ccc1O ZINC001141161793 804601851 /nfs/dbraw/zinc/60/18/51/804601851.db2.gz YMVJCANBXVYMND-GFCCVEGCSA-N 0 1 287.359 3.299 20 10 CGCDMN C[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367866 804634407 /nfs/dbraw/zinc/63/44/07/804634407.db2.gz UUCWXQMULHKNCG-ZETCQYMHSA-N 0 1 290.588 3.402 20 10 CGCDMN C[C@H]1CC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367866 804634410 /nfs/dbraw/zinc/63/44/10/804634410.db2.gz UUCWXQMULHKNCG-ZETCQYMHSA-N 0 1 290.588 3.402 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC12CCCC2 ZINC001142508679 804728208 /nfs/dbraw/zinc/72/82/08/804728208.db2.gz HSHZDTNNKGGURK-UHFFFAOYSA-N 0 1 253.292 3.189 20 10 CGCDMN C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCCC1=O ZINC001143103960 804801155 /nfs/dbraw/zinc/80/11/55/804801155.db2.gz NVPHVAPDXRCPNR-CYBMUJFWSA-N 0 1 289.419 3.491 20 10 CGCDMN CN(Cc1ccc(N2CCCC2)cc1)Cc1ccc(O)cn1 ZINC001144259738 804963265 /nfs/dbraw/zinc/96/32/65/804963265.db2.gz XEDMLZWVBQUOCD-UHFFFAOYSA-N 0 1 297.402 3.019 20 10 CGCDMN Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cnn1C ZINC001261374673 807740239 /nfs/dbraw/zinc/74/02/39/807740239.db2.gz QJWSFOOTMYBHRV-NXEZZACHSA-N 0 1 293.798 3.499 20 10 CGCDMN CN(C)c1cc(F)c(CN2CCCC3(CC3)C2)cc1F ZINC001181113344 810038504 /nfs/dbraw/zinc/03/85/04/810038504.db2.gz OGRVEOIIWDJJTA-UHFFFAOYSA-N 0 1 280.362 3.407 20 10 CGCDMN CCOC1CC2(C1)CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001181610560 810061137 /nfs/dbraw/zinc/06/11/37/810061137.db2.gz ICPAWKWFBMEXLC-UHFFFAOYSA-N 0 1 295.810 3.437 20 10 CGCDMN CCOC1CC2(C1)CC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001181610560 810061140 /nfs/dbraw/zinc/06/11/40/810061140.db2.gz ICPAWKWFBMEXLC-UHFFFAOYSA-N 0 1 295.810 3.437 20 10 CGCDMN CCOC1CC2(C1)CC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001181610560 810061143 /nfs/dbraw/zinc/06/11/43/810061143.db2.gz ICPAWKWFBMEXLC-UHFFFAOYSA-N 0 1 295.810 3.437 20 10 CGCDMN CC(C)OCC(C)(C)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001182327246 810106440 /nfs/dbraw/zinc/10/64/40/810106440.db2.gz QWFHIHODSCUZMD-UHFFFAOYSA-N 0 1 271.788 3.339 20 10 CGCDMN CC[N@@H+](Cc1ccccc1O)Cc1ccccc1OC ZINC001203437509 812357578 /nfs/dbraw/zinc/35/75/78/812357578.db2.gz DKDQUITWARMKPK-UHFFFAOYSA-N 0 1 271.360 3.423 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1CO ZINC001203571193 812395898 /nfs/dbraw/zinc/39/58/98/812395898.db2.gz JNJCRHCPWPWPOG-LLVKDONJSA-N 0 1 290.190 3.046 20 10 CGCDMN COc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c(O)c1 ZINC001203627382 812411251 /nfs/dbraw/zinc/41/12/51/812411251.db2.gz BEHSLUUZMWLRKS-AWEZNQCLSA-N 0 1 298.386 3.175 20 10 CGCDMN CC(C)[N@@H+](Cc1cc(Cl)ccc1[O-])C1CCN(C)CC1 ZINC001203665825 812421818 /nfs/dbraw/zinc/42/18/18/812421818.db2.gz WVEABGVYKHCWOK-UHFFFAOYSA-N 0 1 296.842 3.350 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001203664344 812421980 /nfs/dbraw/zinc/42/19/80/812421980.db2.gz ZQCGNTVMSQWMFT-ZDUSSCGKSA-N 0 1 299.773 3.139 20 10 CGCDMN COc1cccc2c1CN(Cc1ccc(N(C)C)cc1)CC2 ZINC001203929509 812494885 /nfs/dbraw/zinc/49/48/85/812494885.db2.gz FEULFQCRQMQOBR-UHFFFAOYSA-N 0 1 296.414 3.320 20 10 CGCDMN Cc1cc(N(C)C)ccc1C[N@H+]1CCn2cccc2[C@H]1C ZINC001205093669 812858290 /nfs/dbraw/zinc/85/82/90/812858290.db2.gz JKMYUVIIDURLLY-OAHLLOKOSA-N 0 1 283.419 3.439 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN1CCn2cccc2[C@H]1C ZINC001205093669 812858301 /nfs/dbraw/zinc/85/83/01/812858301.db2.gz JKMYUVIIDURLLY-OAHLLOKOSA-N 0 1 283.419 3.439 20 10 CGCDMN CCc1onc(C)c1C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001207658558 813629631 /nfs/dbraw/zinc/62/96/31/813629631.db2.gz PJDGZZQAVPTJAK-UHFFFAOYSA-N 0 1 280.755 3.194 20 10 CGCDMN O=C1C=CC(=N[N-]c2cccc[nH+]2)C(O[C@H]2C[C@@H](O)C2)=C1 ZINC001218414874 816203547 /nfs/dbraw/zinc/20/35/47/816203547.db2.gz DGLGPCLVKAIJOC-HLVBCBOFSA-N 0 1 285.303 3.105 20 10 CGCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001231564965 818123845 /nfs/dbraw/zinc/12/38/45/818123845.db2.gz LSRBATKIWZYWIB-OCCSQVGLSA-N 0 1 289.375 3.103 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1Cl ZINC001231869824 818194735 /nfs/dbraw/zinc/19/47/35/818194735.db2.gz ZWIGDMSIUOHLAD-MLGOLLRUSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1Cl ZINC001231869824 818194740 /nfs/dbraw/zinc/19/47/40/818194740.db2.gz ZWIGDMSIUOHLAD-MLGOLLRUSA-N 0 1 295.810 3.355 20 10 CGCDMN [O-]c1cc(O)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232257958 818295309 /nfs/dbraw/zinc/29/53/09/818295309.db2.gz NLYWMRCETJHOPJ-WDEREUQCSA-N 0 1 281.783 3.373 20 10 CGCDMN [O-]c1cc(O)c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232257958 818295313 /nfs/dbraw/zinc/29/53/13/818295313.db2.gz NLYWMRCETJHOPJ-WDEREUQCSA-N 0 1 281.783 3.373 20 10 CGCDMN CCC[N@@H+](Cc1cc(Cl)c(O)cc1[O-])CC1CC1 ZINC001232258731 818295411 /nfs/dbraw/zinc/29/54/11/818295411.db2.gz MKGPUETWBPDRFN-UHFFFAOYSA-N 0 1 269.772 3.373 20 10 CGCDMN CCC[N@H+](Cc1cc(Cl)c(O)cc1[O-])CC1CC1 ZINC001232258731 818295414 /nfs/dbraw/zinc/29/54/14/818295414.db2.gz MKGPUETWBPDRFN-UHFFFAOYSA-N 0 1 269.772 3.373 20 10 CGCDMN COc1cc(O)c(C[N@@H+](C)Cc2cccnc2)cc1Cl ZINC001232266536 818297843 /nfs/dbraw/zinc/29/78/43/818297843.db2.gz WBWRFJMYHGYHQQ-UHFFFAOYSA-N 0 1 292.766 3.081 20 10 CGCDMN COc1cc(O)c(CN(C)Cc2cccnc2)cc1Cl ZINC001232266536 818297847 /nfs/dbraw/zinc/29/78/47/818297847.db2.gz WBWRFJMYHGYHQQ-UHFFFAOYSA-N 0 1 292.766 3.081 20 10 CGCDMN CC(C)[N@H+](Cc1cc(Cl)c(O)cc1O)CC1CC1 ZINC001232264365 818298060 /nfs/dbraw/zinc/29/80/60/818298060.db2.gz ARFXPROQFIKXDO-UHFFFAOYSA-N 0 1 269.772 3.372 20 10 CGCDMN CC(C)[N@@H+](Cc1cc(Cl)c(O)cc1[O-])CC1CC1 ZINC001232264365 818298065 /nfs/dbraw/zinc/29/80/65/818298065.db2.gz ARFXPROQFIKXDO-UHFFFAOYSA-N 0 1 269.772 3.372 20 10 CGCDMN CC(C)[N@H+](Cc1cc(Cl)c(O)cc1[O-])CC1CC1 ZINC001232264365 818298069 /nfs/dbraw/zinc/29/80/69/818298069.db2.gz ARFXPROQFIKXDO-UHFFFAOYSA-N 0 1 269.772 3.372 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](CF)C2)cc1Cl ZINC001232269604 818300253 /nfs/dbraw/zinc/30/02/53/818300253.db2.gz GLVPAOYREUHDNY-SNVBAGLBSA-N 0 1 287.762 3.236 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](CF)C2)cc1Cl ZINC001232269604 818300261 /nfs/dbraw/zinc/30/02/61/818300261.db2.gz GLVPAOYREUHDNY-SNVBAGLBSA-N 0 1 287.762 3.236 20 10 CGCDMN Cc1ccc([C@H]2CCCN2Cc2cc(O)c(O)c(O)c2)cc1 ZINC001233013650 818502856 /nfs/dbraw/zinc/50/28/56/818502856.db2.gz RMJXSOBRYJNKPB-OAHLLOKOSA-N 0 1 299.370 3.449 20 10 CGCDMN Oc1c(CN2CCC[C@H](F)C(F)(F)C2)ccc(F)c1F ZINC001233074732 818518156 /nfs/dbraw/zinc/51/81/56/818518156.db2.gz VFAWMQGRKHBVJZ-JTQLQIEISA-N 0 1 295.251 3.240 20 10 CGCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001233334544 818585100 /nfs/dbraw/zinc/58/51/00/818585100.db2.gz LGLTWXQYRVHOFN-LBPRGKRZSA-N 0 1 290.313 3.055 20 10 CGCDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CCC12CCCC2 ZINC001233332654 818586751 /nfs/dbraw/zinc/58/67/51/818586751.db2.gz SOVJUINCRVKVOM-UHFFFAOYSA-N 0 1 253.292 3.189 20 10 CGCDMN CO[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415919 818615721 /nfs/dbraw/zinc/61/57/21/818615721.db2.gz OFJXADVZHZOHJS-LLVKDONJSA-N 0 1 289.297 3.022 20 10 CGCDMN COC1CC[NH+](Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233451353 818623178 /nfs/dbraw/zinc/62/31/78/818623178.db2.gz HPEJYSDORUCMMP-UHFFFAOYSA-N 0 1 289.297 3.022 20 10 CGCDMN CC(C)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451315 818623507 /nfs/dbraw/zinc/62/35/07/818623507.db2.gz GNONCWWEJCIABA-UHFFFAOYSA-N 0 1 261.287 3.499 20 10 CGCDMN CC(C)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451315 818623509 /nfs/dbraw/zinc/62/35/09/818623509.db2.gz GNONCWWEJCIABA-UHFFFAOYSA-N 0 1 261.287 3.499 20 10 CGCDMN Oc1c(CN2CC3(C2)CCCO3)cccc1-c1ccccc1 ZINC001235000466 818974511 /nfs/dbraw/zinc/97/45/11/818974511.db2.gz IKBVHEZAJXVCFH-UHFFFAOYSA-N 0 1 295.382 3.424 20 10 CGCDMN CCc1ccc(CN2CCc3nc(C)sc3C2)c(O)c1 ZINC001236787331 819596067 /nfs/dbraw/zinc/59/60/67/819596067.db2.gz BEXGSOFCDRNBNW-UHFFFAOYSA-N 0 1 288.416 3.278 20 10 CGCDMN COc1cc([O-])c(C[N@H+](C)C[C@H]2CCCCO2)c(Cl)c1 ZINC001236797811 819598834 /nfs/dbraw/zinc/59/88/34/819598834.db2.gz AWMYPTVPDLWJCP-LLVKDONJSA-N 0 1 299.798 3.055 20 10 CGCDMN COc1cc([O-])c(C[N@@H+](C)C[C@H]2CCCCO2)c(Cl)c1 ZINC001236797811 819598837 /nfs/dbraw/zinc/59/88/37/819598837.db2.gz AWMYPTVPDLWJCP-LLVKDONJSA-N 0 1 299.798 3.055 20 10 CGCDMN COC[C@H]1CCCC[N@@H+]1Cc1c([O-])cc(OC)cc1Cl ZINC001236800467 819600043 /nfs/dbraw/zinc/60/00/43/819600043.db2.gz ZIWKTVBUHQHABI-LLVKDONJSA-N 0 1 299.798 3.055 20 10 CGCDMN COC[C@H]1CCCC[N@H+]1Cc1c([O-])cc(OC)cc1Cl ZINC001236800467 819600047 /nfs/dbraw/zinc/60/00/47/819600047.db2.gz ZIWKTVBUHQHABI-LLVKDONJSA-N 0 1 299.798 3.055 20 10 CGCDMN CCO[C@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236806857 819602540 /nfs/dbraw/zinc/60/25/40/819602540.db2.gz ATMDIKOQBLBBCS-LBPRGKRZSA-N 0 1 299.798 3.055 20 10 CGCDMN COc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)c([O-])c1Cl ZINC001236808531 819602621 /nfs/dbraw/zinc/60/26/21/819602621.db2.gz CVCLWRRGLKCVBK-GFCCVEGCSA-N 0 1 299.798 3.055 20 10 CGCDMN COc1ccc(C[N@@H+]2CCC[C@H](OC)CC2)c([O-])c1Cl ZINC001236812237 819603742 /nfs/dbraw/zinc/60/37/42/819603742.db2.gz UCESXYQLRSRPRL-LBPRGKRZSA-N 0 1 299.798 3.055 20 10 CGCDMN COc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1Cl ZINC001236811752 819604786 /nfs/dbraw/zinc/60/47/86/819604786.db2.gz NUSODIMAVBOAAP-GXSJLCMTSA-N 0 1 267.756 3.039 20 10 CGCDMN COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c([O-])c1Cl ZINC001236817769 819606047 /nfs/dbraw/zinc/60/60/47/819606047.db2.gz HISWFECBALBHDA-CMPLNLGQSA-N 0 1 299.798 3.054 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236819572 819606189 /nfs/dbraw/zinc/60/61/89/819606189.db2.gz WYRZMURZLNDFAL-SNVBAGLBSA-N 0 1 269.772 3.286 20 10 CGCDMN CN1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4cc3O)C[C@@H]21 ZINC001236837673 819617073 /nfs/dbraw/zinc/61/70/73/819617073.db2.gz STJGBEDLGJYMGM-AEFFLSMTSA-N 0 1 296.414 3.071 20 10 CGCDMN CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c(O)c1 ZINC001237042463 819649003 /nfs/dbraw/zinc/64/90/03/819649003.db2.gz WANQJBYXWBCZMU-NSHDSACASA-N 0 1 289.297 3.175 20 10 CGCDMN COC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237122125 819672490 /nfs/dbraw/zinc/67/24/90/819672490.db2.gz SERURHLVXTYFST-JTQLQIEISA-N 0 1 287.762 3.186 20 10 CGCDMN COC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237122125 819672495 /nfs/dbraw/zinc/67/24/95/819672495.db2.gz SERURHLVXTYFST-JTQLQIEISA-N 0 1 287.762 3.186 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001237122838 819673424 /nfs/dbraw/zinc/67/34/24/819673424.db2.gz ZNSFHAZIGQEXOT-QMTHXVAHSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001237122838 819673427 /nfs/dbraw/zinc/67/34/27/819673427.db2.gz ZNSFHAZIGQEXOT-QMTHXVAHSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237131812 819674626 /nfs/dbraw/zinc/67/46/26/819674626.db2.gz XMSNIHYVFBTVAU-LAEOZQHASA-N 0 1 273.710 3.117 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237131812 819674628 /nfs/dbraw/zinc/67/46/28/819674628.db2.gz XMSNIHYVFBTVAU-LAEOZQHASA-N 0 1 273.710 3.117 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])[C@@H](C)C1 ZINC001237801863 819844556 /nfs/dbraw/zinc/84/45/56/819844556.db2.gz JFEUGGFSRWZVPA-CABZTGNLSA-N 0 1 287.762 3.184 20 10 CGCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001237800762 819844697 /nfs/dbraw/zinc/84/46/97/819844697.db2.gz BCUIMZBLGDLLQN-HZMBPMFUSA-N 0 1 299.773 3.186 20 10 CGCDMN CCN(c1ccccc1)c1cc(C2=CCCN(C)C2)ncn1 ZINC001241568633 821954306 /nfs/dbraw/zinc/95/43/06/821954306.db2.gz VQPVHBFZKSZXBH-UHFFFAOYSA-N 0 1 294.402 3.354 20 10 CGCDMN CC[C@@H](F)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001358227755 937191670 /nfs/dbraw/zinc/19/16/70/937191670.db2.gz KZMVORIYTXOJAW-SECBINFHSA-N 0 1 280.126 3.063 20 10 CGCDMN C[C@@H]1N(C/C=C\c2ccc(N(C)C)cc2)CCOC1(C)C ZINC001461961452 937608921 /nfs/dbraw/zinc/60/89/21/937608921.db2.gz RGZCJLUFPGIJOQ-XHPSBEMXSA-N 0 1 288.435 3.265 20 10 CGCDMN CCOC1CC([N@@H+](C)Cc2c(O)cc(C)cc2Cl)C1 ZINC001462292268 937630539 /nfs/dbraw/zinc/63/05/39/937630539.db2.gz HLLRZOCZQYGAJF-UHFFFAOYSA-N 0 1 283.799 3.353 20 10 CGCDMN CCOC1CC([N@H+](C)Cc2c([O-])cc(C)cc2Cl)C1 ZINC001462292268 937630542 /nfs/dbraw/zinc/63/05/42/937630542.db2.gz HLLRZOCZQYGAJF-UHFFFAOYSA-N 0 1 283.799 3.353 20 10 CGCDMN CCOC1CC([N@@H+](C)Cc2c([O-])cc(C)cc2Cl)C1 ZINC001462292268 937630543 /nfs/dbraw/zinc/63/05/43/937630543.db2.gz HLLRZOCZQYGAJF-UHFFFAOYSA-N 0 1 283.799 3.353 20 10 CGCDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@]12CCC[C@H]1OCC2 ZINC001462666458 937657761 /nfs/dbraw/zinc/65/77/61/937657761.db2.gz LEBXEYVYSGFSMO-HZPDHXFCSA-N 0 1 297.345 3.061 20 10 CGCDMN COc1ccnc(NC/C=C\c2ccc(N(C)C)cc2)c1 ZINC001308355518 933100490 /nfs/dbraw/zinc/10/04/90/933100490.db2.gz JXGRLXZKQIGXDV-PLNGDYQASA-N 0 1 283.375 3.282 20 10 CGCDMN CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCC2 ZINC001308763947 933172901 /nfs/dbraw/zinc/17/29/01/933172901.db2.gz CIPFROYXBWVTJN-HUUCEWRRSA-N 0 1 297.345 3.060 20 10 CGCDMN COc1cc(C)c(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c(O)c1 ZINC001308771839 933174078 /nfs/dbraw/zinc/17/40/78/933174078.db2.gz NGFVTJHSJWXCMX-WMZOPIPTSA-N 0 1 287.403 3.330 20 10 CGCDMN Fc1ccc(CNCc2ccc(N3CCCC3)cc2)nc1 ZINC001319165638 933835198 /nfs/dbraw/zinc/83/51/98/933835198.db2.gz ITKGVTXZPYWBJS-UHFFFAOYSA-N 0 1 285.366 3.111 20 10 CGCDMN F[C@@]1(c2ccccc2)C[C@@H]1NCc1ccc2c(c1)CCO2 ZINC001474186529 937843309 /nfs/dbraw/zinc/84/33/09/937843309.db2.gz IEZJUEQTBMHJGV-ZWKOTPCHSA-N 0 1 283.346 3.348 20 10 CGCDMN COc1ccc(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c(O)c1OC ZINC001474371036 937855442 /nfs/dbraw/zinc/85/54/42/937855442.db2.gz LGQNEANFCHXZBB-QWHCGFSZSA-N 0 1 293.407 3.420 20 10 CGCDMN Oc1c(F)c(F)ccc1CNc1ccc(Cl)cn1 ZINC001474445727 937860430 /nfs/dbraw/zinc/86/04/30/937860430.db2.gz CJUHMGRKUAABHD-UHFFFAOYSA-N 0 1 270.666 3.331 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001474572617 937868124 /nfs/dbraw/zinc/86/81/24/937868124.db2.gz WKWQILROASRALW-ZJUUUORDSA-N 0 1 291.700 3.272 20 10 CGCDMN CN(C)c1ccc(/C=C\CNc2ccc3nn[nH]c3c2)cc1 ZINC001560380966 938256228 /nfs/dbraw/zinc/25/62/28/938256228.db2.gz RDPYBJRNWSQYGL-ARJAWSKDSA-N 0 1 293.374 3.149 20 10 CGCDMN CN(C)c1ccc(/C=C\CNc2ccc3n[nH]nc3c2)cc1 ZINC001560380966 938256229 /nfs/dbraw/zinc/25/62/29/938256229.db2.gz RDPYBJRNWSQYGL-ARJAWSKDSA-N 0 1 293.374 3.149 20 10 CGCDMN Cc1ccoc1C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001560865228 938280840 /nfs/dbraw/zinc/28/08/40/938280840.db2.gz TYWQYXNMUYFRJK-UHFFFAOYSA-N 0 1 251.713 3.237 20 10 CGCDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001573823162 962288677 /nfs/dbraw/zinc/28/86/77/962288677.db2.gz ZWIZISLJVYCHRJ-OAHLLOKOSA-N 0 1 297.782 3.122 20 10 CGCDMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccccc1O ZINC001595362819 980775098 /nfs/dbraw/zinc/77/50/98/980775098.db2.gz PWLKQVSVBAJOGH-MRXNPFEDSA-N 0 1 299.370 3.430 20 10 CGCDMN CCCC[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001595737004 982386913 /nfs/dbraw/zinc/38/69/13/982386913.db2.gz JGWQBBHEOIZKRR-UHFFFAOYSA-N 0 1 292.354 3.248 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)[O-])[C@H](C)CC ZINC001595747638 982415174 /nfs/dbraw/zinc/41/51/74/982415174.db2.gz HFYTYTUTBDKQAR-CZUORRHYSA-N 0 1 293.407 3.494 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])c1 ZINC001594423877 999584231 /nfs/dbraw/zinc/58/42/31/999584231.db2.gz JZLCDKJELWOVJH-DOMZBBRYSA-N 0 1 291.391 3.201 20 10 CGCDMN C[C@@](O)(C[NH2+]Cc1c([O-])cccc1Cl)c1ccsc1 ZINC000124107137 370919253 /nfs/dbraw/zinc/91/92/53/370919253.db2.gz RWNOBEACEFZIFF-CQSZACIVSA-N 0 1 297.807 3.104 20 10 CGCDMN Cc1cc(O)c(CN2CCO[C@@H](c3ccco3)C2)cc1C ZINC000093841412 370165555 /nfs/dbraw/zinc/16/55/55/370165555.db2.gz WCPSXBQFDAFUCG-QGZVFWFLSA-N 0 1 287.359 3.176 20 10 CGCDMN CN(C)c1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000113335456 370471480 /nfs/dbraw/zinc/47/14/80/370471480.db2.gz CFFKPOBCKFMGNF-UHFFFAOYSA-N 0 1 290.794 3.401 20 10 CGCDMN CSCc1cnc(CNCc2ccccc2O)s1 ZINC000293681718 372447719 /nfs/dbraw/zinc/44/77/19/372447719.db2.gz VQLOIYDXNFSCDI-UHFFFAOYSA-N 0 1 280.418 3.002 20 10 CGCDMN COc1ccc(O)c(CN2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000293968539 372540105 /nfs/dbraw/zinc/54/01/05/372540105.db2.gz QKJZEKNRDSKNDY-KRWDZBQOSA-N 0 1 298.386 3.379 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCC[C@H]1CF ZINC000294239585 372624691 /nfs/dbraw/zinc/62/46/91/372624691.db2.gz ZTHPFVAOXFBJOK-VIFPVBQESA-N 0 1 261.699 3.119 20 10 CGCDMN Cc1nocc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000295243650 372715520 /nfs/dbraw/zinc/71/55/20/372715520.db2.gz FDMUOXAIDDYGFT-UHFFFAOYSA-N 0 1 287.407 3.460 20 10 CGCDMN CC(C)[NH+](CCN[C@H]1CCc2cccc(O)c21)C(C)C ZINC000296012349 372992561 /nfs/dbraw/zinc/99/25/61/372992561.db2.gz OXJFISJFHRUDCD-HNNXBMFYSA-N 0 1 276.424 3.088 20 10 CGCDMN C[C@@H](CCCCO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000296579489 373185148 /nfs/dbraw/zinc/18/51/48/373185148.db2.gz UFNMZMPMPQWABI-QWRGUYRKSA-N 0 1 271.788 3.247 20 10 CGCDMN CCCN1CCC([N@H+](C)Cc2cccc(Cl)c2[O-])CC1 ZINC000179797990 373920694 /nfs/dbraw/zinc/92/06/94/373920694.db2.gz HHDDICIDFPQXQN-UHFFFAOYSA-N 0 1 296.842 3.352 20 10 CGCDMN CCCN1CCC([N@@H+](C)Cc2cccc(Cl)c2[O-])CC1 ZINC000179797990 373920703 /nfs/dbraw/zinc/92/07/03/373920703.db2.gz HHDDICIDFPQXQN-UHFFFAOYSA-N 0 1 296.842 3.352 20 10 CGCDMN CC(C)[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000271492098 378495209 /nfs/dbraw/zinc/49/52/09/378495209.db2.gz JMOOGMPQYITYCX-XHDPSFHLSA-N 0 1 283.799 3.339 20 10 CGCDMN Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273387096 378743723 /nfs/dbraw/zinc/74/37/23/378743723.db2.gz JURHVOBKYJUEIU-AWEZNQCLSA-N 0 1 287.407 3.255 20 10 CGCDMN CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273561320 378752901 /nfs/dbraw/zinc/75/29/01/378752901.db2.gz IDCQNGXMTDBBEV-IINYFYTJSA-N 0 1 271.788 3.247 20 10 CGCDMN C[C@@]1([NH2+]Cc2cc(Cl)ccc2[O-])CCO[C@H]1C1CC1 ZINC000371746907 379174741 /nfs/dbraw/zinc/17/47/41/379174741.db2.gz MXWVQHCCBRTHGU-LSDHHAIUSA-N 0 1 281.783 3.093 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375320200 379490860 /nfs/dbraw/zinc/49/08/60/379490860.db2.gz MUHUCIPWNLEIET-HIFRSBDPSA-N 0 1 281.783 3.189 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375320200 379490868 /nfs/dbraw/zinc/49/08/68/379490868.db2.gz MUHUCIPWNLEIET-HIFRSBDPSA-N 0 1 281.783 3.189 20 10 CGCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCCCO1 ZINC000132604171 392461611 /nfs/dbraw/zinc/46/16/11/392461611.db2.gz SGVMQTITSOJTCO-NSHDSACASA-N 0 1 269.772 3.047 20 10 CGCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCCCO1 ZINC000132604171 392461620 /nfs/dbraw/zinc/46/16/20/392461620.db2.gz SGVMQTITSOJTCO-NSHDSACASA-N 0 1 269.772 3.047 20 10 CGCDMN CCOc1cccc(CN(C)Cc2cnc(C)s2)c1O ZINC000179382089 392699507 /nfs/dbraw/zinc/69/95/07/392699507.db2.gz WSMOMZKYRLGPQF-UHFFFAOYSA-N 0 1 292.404 3.188 20 10 CGCDMN C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185520964 262058483 /nfs/dbraw/zinc/05/84/83/262058483.db2.gz FRQQFKSRFPOQJT-DCAQKATOSA-N 0 1 271.788 3.103 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000377827033 329030585 /nfs/dbraw/zinc/03/05/85/329030585.db2.gz SDCILQVHARRUAJ-KGLIPLIRSA-N 0 1 293.382 3.170 20 10 CGCDMN CC(C)OCCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000228565173 329344012 /nfs/dbraw/zinc/34/40/12/329344012.db2.gz YUFJBOGBTWEEIK-UHFFFAOYSA-N 0 1 271.788 3.340 20 10 CGCDMN CC[C@H](NCc1c(C)c2ccccc2n1C)c1ccn(C)n1 ZINC000479449743 331730450 /nfs/dbraw/zinc/73/04/50/331730450.db2.gz DZRZCKUHFXYAMC-HNNXBMFYSA-N 0 1 296.418 3.461 20 10 CGCDMN COCc1nc(CN[C@H](C)c2cc(C)ccc2O)cs1 ZINC000289659622 523202912 /nfs/dbraw/zinc/20/29/12/523202912.db2.gz GQIXZUAOMHDHGX-LLVKDONJSA-N 0 1 292.404 3.154 20 10 CGCDMN COCc1nc(CN[C@@H](C)c2ccc(C)cc2O)cs1 ZINC000289717065 523203416 /nfs/dbraw/zinc/20/34/16/523203416.db2.gz JKSOUDJCPSDDNC-NSHDSACASA-N 0 1 292.404 3.154 20 10 CGCDMN CO[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289570285 523405378 /nfs/dbraw/zinc/40/53/78/523405378.db2.gz JMWIWXNHBPVQGD-QMMMGPOBSA-N 0 1 278.179 3.166 20 10 CGCDMN CC[C@]1(CO)CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000275132876 523617255 /nfs/dbraw/zinc/61/72/55/523617255.db2.gz LIMRYHJTKYUEGD-HNNXBMFYSA-N 0 1 283.799 3.030 20 10 CGCDMN CC[C@]1(CO)CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000275132876 523617265 /nfs/dbraw/zinc/61/72/65/523617265.db2.gz LIMRYHJTKYUEGD-HNNXBMFYSA-N 0 1 283.799 3.030 20 10 CGCDMN C[C@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCCC[C@@H]1O ZINC000748243318 571673008 /nfs/dbraw/zinc/67/30/08/571673008.db2.gz XOYKHFRLTUAILS-LSDHHAIUSA-N 0 1 283.799 3.076 20 10 CGCDMN Cc1cccc(F)c1CNCc1ccc2c(c1)CCO2 ZINC000742379912 572571591 /nfs/dbraw/zinc/57/15/91/572571591.db2.gz CMPNXLAMLOUEJC-UHFFFAOYSA-N 0 1 271.335 3.359 20 10 CGCDMN CC(C)(C)OC(=O)CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000744450079 572754070 /nfs/dbraw/zinc/75/40/70/572754070.db2.gz KRMRIZGDNTTZHM-UHFFFAOYSA-N 0 1 299.798 3.257 20 10 CGCDMN CCc1cc(C[N@@H+](CC)CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000737251498 572867737 /nfs/dbraw/zinc/86/77/37/572867737.db2.gz SMBRBWIJDFYFOD-UHFFFAOYSA-N 0 1 293.407 3.159 20 10 CGCDMN C[C@@H](Cc1ccncc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000749297146 572991734 /nfs/dbraw/zinc/99/17/34/572991734.db2.gz SXTNEFKPMFXXIH-NSHDSACASA-N 0 1 276.767 3.161 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846117137 618073956 /nfs/dbraw/zinc/07/39/56/618073956.db2.gz NFGNIVJRXQAMBG-GFCCVEGCSA-N 0 1 273.710 3.277 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846117137 618073963 /nfs/dbraw/zinc/07/39/63/618073963.db2.gz NFGNIVJRXQAMBG-GFCCVEGCSA-N 0 1 273.710 3.277 20 10 CGCDMN CCN(CC)[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000173460814 618856340 /nfs/dbraw/zinc/85/63/40/618856340.db2.gz YNIBBFIFCQYOBW-MRXNPFEDSA-N 0 1 298.430 3.462 20 10 CGCDMN CC[NH+](CC)[C@@H]1CCN(Cc2c(O)ccc3ccccc32)C1 ZINC000173460814 618856341 /nfs/dbraw/zinc/85/63/41/618856341.db2.gz YNIBBFIFCQYOBW-MRXNPFEDSA-N 0 1 298.430 3.462 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000840895569 618961853 /nfs/dbraw/zinc/96/18/53/618961853.db2.gz NVEVFTNEYMYYGC-DMDPSCGWSA-N 0 1 283.799 3.247 20 10 CGCDMN Cc1nc(C)c(CN[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000312543744 619087757 /nfs/dbraw/zinc/08/77/57/619087757.db2.gz LRXCPAWNKMEFPM-LLVKDONJSA-N 0 1 273.380 3.208 20 10 CGCDMN COc1cnccc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000189554653 619093566 /nfs/dbraw/zinc/09/35/66/619093566.db2.gz UDBNDDAEZZYVMN-ZDUSSCGKSA-N 0 1 285.391 3.007 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000895185681 619772793 /nfs/dbraw/zinc/77/27/93/619772793.db2.gz CCWHWGQSDMWCJO-CQSZACIVSA-N 0 1 297.345 3.204 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000895841248 619892429 /nfs/dbraw/zinc/89/24/29/619892429.db2.gz ADPDYUMAKLBNLK-MLGOLLRUSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000895841248 619892431 /nfs/dbraw/zinc/89/24/31/619892431.db2.gz ADPDYUMAKLBNLK-MLGOLLRUSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000895841248 619892432 /nfs/dbraw/zinc/89/24/32/619892432.db2.gz ADPDYUMAKLBNLK-MLGOLLRUSA-N 0 1 295.810 3.355 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895869633 619900460 /nfs/dbraw/zinc/90/04/60/619900460.db2.gz HBJIRLNZBLVMLO-UHFFFAOYSA-N 0 1 295.810 3.221 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)CCCF)c1 ZINC000895895726 619905015 /nfs/dbraw/zinc/90/50/15/619905015.db2.gz DSGPMDDDEZPHCY-UHFFFAOYSA-N 0 1 290.176 3.255 20 10 CGCDMN Cc1cccc(CN2CCS[C@@H](C(F)(F)F)C2)c1O ZINC000896455956 620011515 /nfs/dbraw/zinc/01/15/15/620011515.db2.gz LYYOLUPRXPGZLL-LLVKDONJSA-N 0 1 291.338 3.180 20 10 CGCDMN C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])c1nccs1 ZINC000230693876 620292430 /nfs/dbraw/zinc/29/24/30/620292430.db2.gz LQYHCWZPLNVRFD-VIFPVBQESA-N 0 1 282.796 3.395 20 10 CGCDMN Cc1ncccc1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000898256794 620504975 /nfs/dbraw/zinc/50/49/75/620504975.db2.gz HDYUSISAGQEZOA-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000903393008 621718067 /nfs/dbraw/zinc/71/80/67/621718067.db2.gz DCKIXQFZDYPXJW-TVYUQYBPSA-N 0 1 269.772 3.121 20 10 CGCDMN Cc1nnc(NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000225939809 622936005 /nfs/dbraw/zinc/93/60/05/622936005.db2.gz VGRBZZIOCJEHTD-UHFFFAOYSA-N 0 1 290.175 3.471 20 10 CGCDMN Clc1ccc(CNCc2ccc3c(c2)CCCO3)cn1 ZINC000921553201 625668200 /nfs/dbraw/zinc/66/82/00/625668200.db2.gz RGMDXNYSYQSACW-UHFFFAOYSA-N 0 1 288.778 3.350 20 10 CGCDMN [O-]c1c(C[NH+]2CC(C(F)F)C2)ccc2ccccc21 ZINC000839140145 626322584 /nfs/dbraw/zinc/32/25/84/626322584.db2.gz AGTKMVVVHRIIOZ-UHFFFAOYSA-N 0 1 263.287 3.242 20 10 CGCDMN CC[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccn(C)n1 ZINC000756403593 626702193 /nfs/dbraw/zinc/70/21/93/626702193.db2.gz QDADBMKECACLLC-QGZVFWFLSA-N 0 1 298.434 3.261 20 10 CGCDMN CCc1cc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)on1 ZINC000756604033 626719862 /nfs/dbraw/zinc/71/98/62/626719862.db2.gz CPUFTIAWMSXJMU-RNCFNFMXSA-N 0 1 290.338 3.420 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)c2c1c(F)ccc2[O-] ZINC000756644463 626724238 /nfs/dbraw/zinc/72/42/38/626724238.db2.gz ARQYGEGDEDQFPL-CIQGVGRVSA-N 0 1 293.382 3.220 20 10 CGCDMN C[C@@H]([NH2+]CC1(CCO)CCC1)c1cc(Cl)ccc1[O-] ZINC000756765109 626730071 /nfs/dbraw/zinc/73/00/71/626730071.db2.gz OGKAXPKBIOKDPE-LLVKDONJSA-N 0 1 283.799 3.249 20 10 CGCDMN C[C@@H]([NH2+]CCC1CC(O)C1)c1ccc2ccccc2c1[O-] ZINC000762652172 627119008 /nfs/dbraw/zinc/11/90/08/627119008.db2.gz WIMWEZJJDXQSCC-DNOWBOINSA-N 0 1 285.387 3.357 20 10 CGCDMN C[C@H](NCc1ccc(F)cn1)c1ccc(N(C)C)cc1 ZINC000766608916 627347223 /nfs/dbraw/zinc/34/72/23/627347223.db2.gz UTIMTJIRPKKEBZ-LBPRGKRZSA-N 0 1 273.355 3.138 20 10 CGCDMN CCC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000768291025 627472408 /nfs/dbraw/zinc/47/24/08/627472408.db2.gz OOIFXULGZWREDZ-UHFFFAOYSA-N 0 1 284.743 3.328 20 10 CGCDMN CCCC[NH+](CCCC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768438553 627480120 /nfs/dbraw/zinc/48/01/20/627480120.db2.gz BQHPNWWTBOAJDJ-INIZCTEOSA-N 0 1 293.407 3.220 20 10 CGCDMN CCOc1cccc(CN2CCc3ccc(O)cc3C2)c1O ZINC000768869202 627504809 /nfs/dbraw/zinc/50/48/09/627504809.db2.gz QYKXEHFXKBEECP-UHFFFAOYSA-N 0 1 299.370 3.055 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769311670 627539559 /nfs/dbraw/zinc/53/95/59/627539559.db2.gz NWLMOHQTYYGZDS-AWEZNQCLSA-N 0 1 291.782 3.079 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769311670 627539561 /nfs/dbraw/zinc/53/95/61/627539561.db2.gz NWLMOHQTYYGZDS-AWEZNQCLSA-N 0 1 291.782 3.079 20 10 CGCDMN CCOc1ccc(C[N@H+](CCCO)CC(C)(C)C)c([O-])c1 ZINC000769344261 627544244 /nfs/dbraw/zinc/54/42/44/627544244.db2.gz WTBAOEZOUGTAOK-UHFFFAOYSA-N 0 1 295.423 3.021 20 10 CGCDMN CCOc1ccc(C[N@@H+](CCCO)CC(C)(C)C)c([O-])c1 ZINC000769344261 627544248 /nfs/dbraw/zinc/54/42/48/627544248.db2.gz WTBAOEZOUGTAOK-UHFFFAOYSA-N 0 1 295.423 3.021 20 10 CGCDMN CCOc1ccc(C[N@H+](C)C2CCC(OC)CC2)c([O-])c1 ZINC000769424427 627550994 /nfs/dbraw/zinc/55/09/94/627550994.db2.gz AFYDQJOFDHJDBW-UHFFFAOYSA-N 0 1 293.407 3.180 20 10 CGCDMN CCOc1ccc(C[N@@H+](C)C2CCC(OC)CC2)c([O-])c1 ZINC000769424427 627550996 /nfs/dbraw/zinc/55/09/96/627550996.db2.gz AFYDQJOFDHJDBW-UHFFFAOYSA-N 0 1 293.407 3.180 20 10 CGCDMN C[C@H]1SCCN(Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000769446242 627553001 /nfs/dbraw/zinc/55/30/01/627553001.db2.gz LAZWJSBXBOLHCV-NWDGAFQWSA-N 0 1 282.428 3.218 20 10 CGCDMN CC[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCS1 ZINC000769447875 627553836 /nfs/dbraw/zinc/55/38/36/627553836.db2.gz ZGZXXXHETSCBLZ-ZDUSSCGKSA-N 0 1 282.428 3.219 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000769986020 627594910 /nfs/dbraw/zinc/59/49/10/627594910.db2.gz GIULRFJTTKKONB-RNCFNFMXSA-N 0 1 297.807 3.491 20 10 CGCDMN CC(C)CO[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000770329806 627613826 /nfs/dbraw/zinc/61/38/26/627613826.db2.gz SNWDPKNHFKBOLP-OAHLLOKOSA-N 0 1 294.414 3.139 20 10 CGCDMN Oc1ccccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000770509301 627623202 /nfs/dbraw/zinc/62/32/02/627623202.db2.gz KRTAAFKLACLFJQ-OAHLLOKOSA-N 0 1 254.333 3.124 20 10 CGCDMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(N(C)CC)cc1 ZINC000773730730 627908991 /nfs/dbraw/zinc/90/89/91/627908991.db2.gz PZJDMDSEUVNKMS-GOEBONIOSA-N 0 1 276.424 3.142 20 10 CGCDMN CC[C@H]([NH2+][C@@H](CCO)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775507767 628102104 /nfs/dbraw/zinc/10/21/04/628102104.db2.gz DYHOQSPDPOGVAW-KBPBESRZSA-N 0 1 285.815 3.493 20 10 CGCDMN CC(C)(C)[N@H+]1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000775664826 628121944 /nfs/dbraw/zinc/12/19/44/628121944.db2.gz AZRDLYRDDFQGLG-UHFFFAOYSA-N 0 1 296.842 3.352 20 10 CGCDMN COc1ccc(O)c(CN2CCc3c(F)cccc3C2)c1 ZINC000775689445 628126402 /nfs/dbraw/zinc/12/64/02/628126402.db2.gz JAZMJTWROMDYOD-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000775736032 628131198 /nfs/dbraw/zinc/13/11/98/628131198.db2.gz JLWVDBCWHHHCCS-TZMCWYRMSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000777440153 628271021 /nfs/dbraw/zinc/27/10/21/628271021.db2.gz VPSNNQVXDANZBS-HNNXBMFYSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000777440153 628271025 /nfs/dbraw/zinc/27/10/25/628271025.db2.gz VPSNNQVXDANZBS-HNNXBMFYSA-N 0 1 295.810 3.437 20 10 CGCDMN COCC1(C)CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000779605846 628418010 /nfs/dbraw/zinc/41/80/10/628418010.db2.gz HZLSCFBQDUHQBF-UHFFFAOYSA-N 0 1 283.799 3.294 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](C)OC)c1cc(Cl)ccc1[O-] ZINC000785573128 628871964 /nfs/dbraw/zinc/87/19/64/628871964.db2.gz NRIBKEPLQPFBIJ-SKDRFNHKSA-N 0 1 257.761 3.121 20 10 CGCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1cn2ccccc2n1 ZINC000788502180 629059972 /nfs/dbraw/zinc/05/99/72/629059972.db2.gz HCJGBBPEWVOURX-AWEZNQCLSA-N 0 1 294.402 3.251 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1Cl ZINC000862529539 629390967 /nfs/dbraw/zinc/39/09/67/629390967.db2.gz MMPQFUIRHVUDMI-IUODEOHRSA-N 0 1 281.783 3.011 20 10 CGCDMN Cc1cc(O)c(CN2CCO[C@@H](CCF)C2)cc1C(C)C ZINC000863316206 629531377 /nfs/dbraw/zinc/53/13/77/629531377.db2.gz LFKHNQAFTPVXHT-HNNXBMFYSA-N 0 1 295.398 3.384 20 10 CGCDMN CCCCN(Cc1cc(C)n(C)n1)Cc1ccccc1O ZINC000801596526 630346493 /nfs/dbraw/zinc/34/64/93/630346493.db2.gz DEEIJTCYRMHISB-UHFFFAOYSA-N 0 1 287.407 3.236 20 10 CGCDMN Cc1cc(O)c(CN2CC[C@@H](F)C2)cc1C(C)C ZINC000840105105 630595306 /nfs/dbraw/zinc/59/53/06/630595306.db2.gz OLKSNBKKGYTPFX-CYBMUJFWSA-N 0 1 251.345 3.368 20 10 CGCDMN CC[C@@H](CCO)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808702476 630667234 /nfs/dbraw/zinc/66/72/34/630667234.db2.gz XKODKVMKJYZKFP-NEPJUHHUSA-N 0 1 285.815 3.413 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cncn1C)c1cc(Cl)ccc1[O-] ZINC000810243373 630857754 /nfs/dbraw/zinc/85/77/54/630857754.db2.gz NSIQWTWVFFMNHT-CYBMUJFWSA-N 0 1 279.771 3.020 20 10 CGCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)[C@H]1[C@H]1CCCO1 ZINC000811511058 631080216 /nfs/dbraw/zinc/08/02/16/631080216.db2.gz SZEXZVHMRFKNJU-CABCVRRESA-N 0 1 295.810 3.435 20 10 CGCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)[C@H]1[C@H]1CCCO1 ZINC000811511058 631080218 /nfs/dbraw/zinc/08/02/18/631080218.db2.gz SZEXZVHMRFKNJU-CABCVRRESA-N 0 1 295.810 3.435 20 10 CGCDMN CC(C)[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCOC1 ZINC000812776994 631307047 /nfs/dbraw/zinc/30/70/47/631307047.db2.gz UJHZXBJJMMUBEX-LBPRGKRZSA-N 0 1 287.762 3.184 20 10 CGCDMN CN(Cc1cncc(C(F)(F)F)c1)Cc1ccccc1O ZINC000812829460 631321813 /nfs/dbraw/zinc/32/18/13/631321813.db2.gz FDLAZAROHZWWGG-UHFFFAOYSA-N 0 1 296.292 3.438 20 10 CGCDMN CCc1cc(CN2CCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000813170605 631376576 /nfs/dbraw/zinc/37/65/76/631376576.db2.gz IURQCJQOOJDSQX-ZDUSSCGKSA-N 0 1 291.435 3.473 20 10 CGCDMN O=C(C=C1CCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000813684819 631453980 /nfs/dbraw/zinc/45/39/80/631453980.db2.gz OIJCYNNHPJXKNU-UHFFFAOYSA-N 0 1 286.158 3.426 20 10 CGCDMN CC[C@@H]1CC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000814178826 631539359 /nfs/dbraw/zinc/53/93/59/631539359.db2.gz DWMSGCZRKLZDDR-SNVBAGLBSA-N 0 1 270.170 3.139 20 10 CGCDMN Cc1cc(CN2CCc3ccc(O)cc3C2)ccc1N(C)C ZINC000815070222 631711281 /nfs/dbraw/zinc/71/12/81/631711281.db2.gz RAWRKDZQZHAYQV-UHFFFAOYSA-N 0 1 296.414 3.325 20 10 CGCDMN C[C@H]([NH2+]CCCN(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815553088 631794527 /nfs/dbraw/zinc/79/45/27/631794527.db2.gz RHQDXRWBAKMFLD-JTQLQIEISA-N 0 1 290.329 3.013 20 10 CGCDMN CC[N@H+](Cc1ccc2ccccc2c1O)C[C@H]1CCOC1 ZINC000816487913 631992040 /nfs/dbraw/zinc/99/20/40/631992040.db2.gz BXYOBLNSTIMZJW-CQSZACIVSA-N 0 1 285.387 3.404 20 10 CGCDMN CC[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@H]1CCOC1 ZINC000816487913 631992044 /nfs/dbraw/zinc/99/20/44/631992044.db2.gz BXYOBLNSTIMZJW-CQSZACIVSA-N 0 1 285.387 3.404 20 10 CGCDMN CC[N@H+](Cc1ccc2ccccc2c1[O-])C[C@H]1CCOC1 ZINC000816487913 631992047 /nfs/dbraw/zinc/99/20/47/631992047.db2.gz BXYOBLNSTIMZJW-CQSZACIVSA-N 0 1 285.387 3.404 20 10 CGCDMN CO[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1(C)C ZINC000816554703 632010472 /nfs/dbraw/zinc/01/04/72/632010472.db2.gz HCODNJWVWBFXTD-HOTGVXAUSA-N 0 1 285.387 3.449 20 10 CGCDMN CO[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1C ZINC000816586421 632017634 /nfs/dbraw/zinc/01/76/34/632017634.db2.gz HMFZYTGAHDSWCQ-DYVFJYSZSA-N 0 1 285.387 3.402 20 10 CGCDMN CO[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1C ZINC000816586421 632017643 /nfs/dbraw/zinc/01/76/43/632017643.db2.gz HMFZYTGAHDSWCQ-DYVFJYSZSA-N 0 1 285.387 3.402 20 10 CGCDMN [O-]c1c(C[NH+]2CC(C3CC3)C2)ccc2ccccc21 ZINC000816616493 632025547 /nfs/dbraw/zinc/02/55/47/632025547.db2.gz YFFFVADTCSBHOG-UHFFFAOYSA-N 0 1 253.345 3.387 20 10 CGCDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000817414850 632145385 /nfs/dbraw/zinc/14/53/85/632145385.db2.gz PFJQJKBHNKQYJI-KCJUWKMLSA-N 0 1 290.190 3.044 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1ccc(Cl)c(Cl)c1[O-] ZINC000817978253 632269034 /nfs/dbraw/zinc/26/90/34/632269034.db2.gz YZTQWZIVWJXMPQ-RNSXUZJQSA-N 0 1 291.222 3.475 20 10 CGCDMN COc1ccc(N2CC[C@H](CNc3cc(C)ccn3)C2)cc1 ZINC000819936341 632541190 /nfs/dbraw/zinc/54/11/90/632541190.db2.gz RZIBHNOIOXEUAX-OAHLLOKOSA-N 0 1 297.402 3.337 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c(Cl)c1 ZINC000865753209 632878282 /nfs/dbraw/zinc/87/82/82/632878282.db2.gz IDBARRRRBVICEG-PSASIEDQSA-N 0 1 279.689 3.394 20 10 CGCDMN COc1cccc(CNCc2c(F)cc(C)cc2F)c1O ZINC000822480625 632941557 /nfs/dbraw/zinc/94/15/57/632941557.db2.gz BHFXHUWMYBVCRI-UHFFFAOYSA-N 0 1 293.313 3.277 20 10 CGCDMN CCN(CC)c1ccc(CN2CC[C@H](F)C2)cc1 ZINC000824571959 633260433 /nfs/dbraw/zinc/26/04/33/633260433.db2.gz TVCLMRVBPHXKBH-AWEZNQCLSA-N 0 1 250.361 3.077 20 10 CGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000824894541 633302662 /nfs/dbraw/zinc/30/26/62/633302662.db2.gz HIPXNMBQXIANPW-NSHDSACASA-N 0 1 296.208 3.387 20 10 CGCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000824894541 633302669 /nfs/dbraw/zinc/30/26/69/633302669.db2.gz HIPXNMBQXIANPW-NSHDSACASA-N 0 1 296.208 3.387 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCOCC2CC2)cc1Cl ZINC000825063386 633325374 /nfs/dbraw/zinc/32/53/74/633325374.db2.gz BRRDAFVWSZDRBH-UHFFFAOYSA-N 0 1 283.799 3.260 20 10 CGCDMN Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825246555 633338739 /nfs/dbraw/zinc/33/87/39/633338739.db2.gz DDBRNFHOPJYNCH-JTQLQIEISA-N 0 1 293.798 3.247 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2(C)CCOCC2)cc1Cl ZINC000825326087 633345685 /nfs/dbraw/zinc/34/56/85/633345685.db2.gz NJEPTFDXOJJVLF-UHFFFAOYSA-N 0 1 283.799 3.260 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2(C3CC3)CC2)cc1Cl ZINC000825336768 633347051 /nfs/dbraw/zinc/34/70/51/633347051.db2.gz DRUWXZNUUMFNAK-UHFFFAOYSA-N 0 1 251.757 3.386 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCSC2)cc1Cl ZINC000825331111 633347300 /nfs/dbraw/zinc/34/73/00/633347300.db2.gz IMGYZJGIHHSIJG-LLVKDONJSA-N 0 1 271.813 3.339 20 10 CGCDMN CCC1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCOCC1 ZINC000825440799 633354731 /nfs/dbraw/zinc/35/47/31/633354731.db2.gz KZVQPSMZHZDGBR-UHFFFAOYSA-N 0 1 283.799 3.403 20 10 CGCDMN COCC1=CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825548489 633364180 /nfs/dbraw/zinc/36/41/80/633364180.db2.gz HASJAKDLZQWBFF-UHFFFAOYSA-N 0 1 281.783 3.133 20 10 CGCDMN COCC1=CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825548489 633364187 /nfs/dbraw/zinc/36/41/87/633364187.db2.gz HASJAKDLZQWBFF-UHFFFAOYSA-N 0 1 281.783 3.133 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CSC[C@H]2C)cc1Cl ZINC000825886473 633386132 /nfs/dbraw/zinc/38/61/32/633386132.db2.gz PKGFXNZVUFJBFS-SKDRFNHKSA-N 0 1 271.813 3.195 20 10 CGCDMN CC[C@@](C)(C[NH2+]Cc1cc(Cl)c(C)cc1[O-])OC ZINC000826054221 633400706 /nfs/dbraw/zinc/40/07/06/633400706.db2.gz SLGQUAJQPOHZQL-AWEZNQCLSA-N 0 1 271.788 3.259 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)COCC2CC2)cc1Cl ZINC000826140101 633407677 /nfs/dbraw/zinc/40/76/77/633407677.db2.gz YBSRWXKAIMUGTN-NSHDSACASA-N 0 1 283.799 3.259 20 10 CGCDMN CCCC[C@@](C)(CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000842745442 633408864 /nfs/dbraw/zinc/40/88/64/633408864.db2.gz BAVZQHFOZZBUSA-AWEZNQCLSA-N 0 1 271.788 3.076 20 10 CGCDMN C[C@]1(C2CC2)CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000826878042 633440181 /nfs/dbraw/zinc/44/01/81/633440181.db2.gz QXNZREDRMYLJGY-OAHLLOKOSA-N 0 1 299.773 3.186 20 10 CGCDMN C[C@]1(C2CC2)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000826878042 633440182 /nfs/dbraw/zinc/44/01/82/633440182.db2.gz QXNZREDRMYLJGY-OAHLLOKOSA-N 0 1 299.773 3.186 20 10 CGCDMN C[C@]1(C2CC2)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000826878042 633440183 /nfs/dbraw/zinc/44/01/83/633440183.db2.gz QXNZREDRMYLJGY-OAHLLOKOSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H]2COC3(CCC3)C2)ccc2ccccc21 ZINC000827126204 633461609 /nfs/dbraw/zinc/46/16/09/633461609.db2.gz XPBFZKZBCPTWRG-HNNXBMFYSA-N 0 1 283.371 3.347 20 10 CGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)OC1CCC1 ZINC000831544348 633974923 /nfs/dbraw/zinc/97/49/23/633974923.db2.gz XSJMMKRQKVXFGC-UHFFFAOYSA-N 0 1 290.146 3.478 20 10 CGCDMN CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000846183317 636154934 /nfs/dbraw/zinc/15/49/34/636154934.db2.gz HJANHTOCVPKTDH-MJVIPROJSA-N 0 1 285.815 3.493 20 10 CGCDMN CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000846184687 636155482 /nfs/dbraw/zinc/15/54/82/636155482.db2.gz QMDJQUDKTDGCEI-WDMOLILDSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(Cl)ccc1[O-] ZINC000872111445 634035586 /nfs/dbraw/zinc/03/55/86/634035586.db2.gz CVWDUKVPHIIATO-WDEREUQCSA-N 0 1 297.782 3.040 20 10 CGCDMN Oc1cccc2c1[C@@H](NCc1ccn(C3CCCC3)n1)CC2 ZINC000834685090 634219575 /nfs/dbraw/zinc/21/95/75/634219575.db2.gz HKZFGTRFVYSEDQ-INIZCTEOSA-N 0 1 297.402 3.481 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CCn3ccnc32)c1O ZINC000834832485 634251557 /nfs/dbraw/zinc/25/15/57/634251557.db2.gz OZBJGSUDKXSBMQ-ZWNOBZJWSA-N 0 1 291.782 3.346 20 10 CGCDMN Cc1ccc([C@@H](C)N[C@@H]2CCn3ccnc32)c(O)c1C ZINC000834833274 634251575 /nfs/dbraw/zinc/25/15/75/634251575.db2.gz XMKQFIQETZMFKM-TZMCWYRMSA-N 0 1 271.364 3.001 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873157501 634265682 /nfs/dbraw/zinc/26/56/82/634265682.db2.gz ZXYHFMDTUUZVJG-DGFSRKRXSA-N 0 1 281.783 3.093 20 10 CGCDMN CN(C)c1ccc(/C=C/CN2CC[C@H](OC(F)F)C2)cc1 ZINC000835050736 634336353 /nfs/dbraw/zinc/33/63/53/634336353.db2.gz WUCXJVYSTKSPKC-BWPKMQGJSA-N 0 1 296.361 3.079 20 10 CGCDMN Cc1ccc(CNC(C)(C)c2nccs2)c(O)c1 ZINC000877035761 634958545 /nfs/dbraw/zinc/95/85/45/634958545.db2.gz KFNPIYQWSXPVIK-UHFFFAOYSA-N 0 1 262.378 3.182 20 10 CGCDMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877317616 635024751 /nfs/dbraw/zinc/02/47/51/635024751.db2.gz UXUREYSYWVXIQK-JTQLQIEISA-N 0 1 278.302 3.258 20 10 CGCDMN C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877486033 635056351 /nfs/dbraw/zinc/05/63/51/635056351.db2.gz CLPNSUHTKFRPHH-APPZFPTMSA-N 0 1 295.251 3.443 20 10 CGCDMN CC1(C)C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000877540316 635079989 /nfs/dbraw/zinc/07/99/89/635079989.db2.gz WFBSDNACPPXSJZ-SWLSCSKDSA-N 0 1 297.345 3.060 20 10 CGCDMN Cc1ccc(CNc2cc3c(cn2)CCC3)c(O)c1 ZINC000877553118 635086580 /nfs/dbraw/zinc/08/65/80/635086580.db2.gz JPJJJLOCLWFHAN-UHFFFAOYSA-N 0 1 254.333 3.196 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CS[C@H](C)C2)c(Cl)c1 ZINC000840959432 635094162 /nfs/dbraw/zinc/09/41/62/635094162.db2.gz VMSGPVXXRPDPMO-NXEZZACHSA-N 0 1 271.813 3.338 20 10 CGCDMN COC1([C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000840970298 635097089 /nfs/dbraw/zinc/09/70/89/635097089.db2.gz SZXLMTOADHZNFG-JTQLQIEISA-N 0 1 269.772 3.093 20 10 CGCDMN Cc1ccc(F)cc1CN1Cc2cccc(O)c2C1 ZINC000877702911 635154334 /nfs/dbraw/zinc/15/43/34/635154334.db2.gz JMLUYFRBGCJNDC-UHFFFAOYSA-N 0 1 257.308 3.356 20 10 CGCDMN CC(C)(O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877797000 635207672 /nfs/dbraw/zinc/20/76/72/635207672.db2.gz ONSUJMBWSSRLGZ-LLVKDONJSA-N 0 1 283.799 3.029 20 10 CGCDMN CC(C)(O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000877797000 635207679 /nfs/dbraw/zinc/20/76/79/635207679.db2.gz ONSUJMBWSSRLGZ-LLVKDONJSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841746202 635222884 /nfs/dbraw/zinc/22/28/84/635222884.db2.gz CXKDVGRSPVSVLN-LLVKDONJSA-N 0 1 283.799 3.391 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(Cl)cc1[O-] ZINC000841752712 635227436 /nfs/dbraw/zinc/22/74/36/635227436.db2.gz VHSAGSOGHFPSLE-DTWKUNHWSA-N 0 1 265.744 3.181 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(Cl)cc1[O-] ZINC000841755569 635230205 /nfs/dbraw/zinc/23/02/05/635230205.db2.gz JIDPILAEEBZZIY-RNCFNFMXSA-N 0 1 269.772 3.264 20 10 CGCDMN CO[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841759554 635233158 /nfs/dbraw/zinc/23/31/58/635233158.db2.gz ZTZLCDHFRGOQBM-LKFCYVNXSA-N 0 1 269.772 3.121 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCOC[C@H]1C1CCC1 ZINC000843429044 635673483 /nfs/dbraw/zinc/67/34/83/635673483.db2.gz QSTZKWUDHMNUEP-AWEZNQCLSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000843429044 635673488 /nfs/dbraw/zinc/67/34/88/635673488.db2.gz QSTZKWUDHMNUEP-AWEZNQCLSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000843429044 635673491 /nfs/dbraw/zinc/67/34/91/635673491.db2.gz QSTZKWUDHMNUEP-AWEZNQCLSA-N 0 1 299.773 3.186 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC2(CCC2)O1 ZINC000843432729 635674764 /nfs/dbraw/zinc/67/47/64/635674764.db2.gz OLCLOYLCXKTACZ-SNVBAGLBSA-N 0 1 299.773 3.328 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC2(CCC2)O1 ZINC000843432729 635674765 /nfs/dbraw/zinc/67/47/65/635674765.db2.gz OLCLOYLCXKTACZ-SNVBAGLBSA-N 0 1 299.773 3.328 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CC2(CCC2)O1 ZINC000843432729 635674774 /nfs/dbraw/zinc/67/47/74/635674774.db2.gz OLCLOYLCXKTACZ-SNVBAGLBSA-N 0 1 299.773 3.328 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846116849 636146745 /nfs/dbraw/zinc/14/67/45/636146745.db2.gz LNHUUWVAEABUQU-LBPRGKRZSA-N 0 1 291.700 3.416 20 10 CGCDMN CCc1cccc(CN[C@@H](COC)c2ccc(C)o2)c1O ZINC000848898445 636680666 /nfs/dbraw/zinc/68/06/66/636680666.db2.gz VETZLAQYIVYCKL-HNNXBMFYSA-N 0 1 289.375 3.333 20 10 CGCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccoc1 ZINC000134070307 636997065 /nfs/dbraw/zinc/99/70/65/636997065.db2.gz CKXWQWGFOCDYLK-LLVKDONJSA-N 0 1 262.328 3.336 20 10 CGCDMN CC[C@@H](O)C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000850529238 637107817 /nfs/dbraw/zinc/10/78/17/637107817.db2.gz OXNJPSGTUPXHHC-PWSUYJOCSA-N 0 1 291.313 3.223 20 10 CGCDMN COc1ccnc(CN[C@@H](C)c2ccc(C)cc2O)c1F ZINC000850538299 637114002 /nfs/dbraw/zinc/11/40/02/637114002.db2.gz YBHYGSZKTVUBHS-NSHDSACASA-N 0 1 290.338 3.094 20 10 CGCDMN C[C@H](N[C@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nccn1C ZINC000850571782 637128795 /nfs/dbraw/zinc/12/87/95/637128795.db2.gz AOOMZXZTIGOKDN-SCVCMEIPSA-N 0 1 289.354 3.164 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1nccn1C ZINC000850573164 637129381 /nfs/dbraw/zinc/12/93/81/637129381.db2.gz VMUFLOXIQBYDTL-VHSXEESVSA-N 0 1 279.771 3.191 20 10 CGCDMN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2nccn2C)cc1 ZINC000850572962 637129985 /nfs/dbraw/zinc/12/99/85/637129985.db2.gz RJOTZDLAUGGXIU-KGLIPLIRSA-N 0 1 286.423 3.288 20 10 CGCDMN CCc1nocc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000851949472 637556424 /nfs/dbraw/zinc/55/64/24/637556424.db2.gz FEEZEPDFZBSCCK-LBPRGKRZSA-N 0 1 273.380 3.154 20 10 CGCDMN CCN(C)c1ccc(CN2CCO[C@](C)(C3CC3)C2)cc1 ZINC000852322431 637634655 /nfs/dbraw/zinc/63/46/55/637634655.db2.gz JEVNDBIYKGXALQ-SFHVURJKSA-N 0 1 288.435 3.144 20 10 CGCDMN COc1cccc([C@@H](C)NCc2cc(C3CC3)no2)c1O ZINC000886684854 637650772 /nfs/dbraw/zinc/65/07/72/637650772.db2.gz UOKOAQVTUVXECL-SNVBAGLBSA-N 0 1 288.347 3.117 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC000852555106 637678717 /nfs/dbraw/zinc/67/87/17/637678717.db2.gz JKUSDOJOKBZMIN-CQSZACIVSA-N 0 1 265.328 3.012 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c(Cl)c1 ZINC000858298616 638674473 /nfs/dbraw/zinc/67/44/73/638674473.db2.gz MSHDGUTYEPWGAE-IAQYHMDHSA-N 0 1 281.783 3.011 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+]CCCC1CC1 ZINC000076767968 640216243 /nfs/dbraw/zinc/21/62/43/640216243.db2.gz XJGARWKRRCRARA-UHFFFAOYSA-N 0 1 284.197 3.435 20 10 CGCDMN Oc1ccccc1CN(Cc1cocn1)C1CCCC1 ZINC000191942241 640340442 /nfs/dbraw/zinc/34/04/42/640340442.db2.gz NZJMPPXMXZNVOS-UHFFFAOYSA-N 0 1 272.348 3.325 20 10 CGCDMN C[N@@H+](CCC1CC1)Cc1cc(Br)ccc1O ZINC000092067034 640730563 /nfs/dbraw/zinc/73/05/63/640730563.db2.gz DQZRWDWPDHUPPB-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN C[N@H+](CCC1CC1)Cc1cc(Br)ccc1[O-] ZINC000092067034 640730568 /nfs/dbraw/zinc/73/05/68/640730568.db2.gz DQZRWDWPDHUPPB-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN C[N@@H+](CCC1CC1)Cc1cc(Br)ccc1[O-] ZINC000092067034 640730574 /nfs/dbraw/zinc/73/05/74/640730574.db2.gz DQZRWDWPDHUPPB-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN Cc1n[nH]cc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000093319366 640768194 /nfs/dbraw/zinc/76/81/94/640768194.db2.gz UMGUDCTWHAKSDI-UHFFFAOYSA-N 0 1 285.391 3.369 20 10 CGCDMN C[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000303992731 640853042 /nfs/dbraw/zinc/85/30/42/640853042.db2.gz NIZIFLAMLCXHEK-MRXNPFEDSA-N 0 1 291.778 3.211 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C2CCCCC2)c1[O-] ZINC000037322733 798866599 /nfs/dbraw/zinc/86/65/99/798866599.db2.gz ZTUIYKJHRGVPQG-UHFFFAOYSA-N 0 1 279.355 3.498 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2C)c1[O-] ZINC000037322558 798866710 /nfs/dbraw/zinc/86/67/10/798866710.db2.gz RIWLYPNQWWCUBX-JTQLQIEISA-N 0 1 265.328 3.108 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2C)c1[O-] ZINC000037322558 798866714 /nfs/dbraw/zinc/86/67/14/798866714.db2.gz RIWLYPNQWWCUBX-JTQLQIEISA-N 0 1 265.328 3.108 20 10 CGCDMN C[C@@H](CC(F)(F)F)N1CCCc2cc(O)c(O)cc2C1 ZINC001255663085 806699054 /nfs/dbraw/zinc/69/90/54/806699054.db2.gz XVXFQKLPKCEDQB-VIFPVBQESA-N 0 1 289.297 3.187 20 10 CGCDMN CCc1nc(CNCc2cc(C)ccc2O)cs1 ZINC000113339734 798984506 /nfs/dbraw/zinc/98/45/06/798984506.db2.gz JTFMAHVVSLXYCT-UHFFFAOYSA-N 0 1 262.378 3.009 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000310725014 799222621 /nfs/dbraw/zinc/22/26/21/799222621.db2.gz SXRBZSAPWFQQEF-MRVPVSSYSA-N 0 1 279.689 3.430 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000310725014 799222626 /nfs/dbraw/zinc/22/26/26/799222626.db2.gz SXRBZSAPWFQQEF-MRVPVSSYSA-N 0 1 279.689 3.430 20 10 CGCDMN C[N@@H+](Cc1cccc(Br)c1[O-])C(C)(C)C ZINC000381925978 799389947 /nfs/dbraw/zinc/38/99/47/799389947.db2.gz NTORZSWXBJVYPX-UHFFFAOYSA-N 0 1 272.186 3.385 20 10 CGCDMN CC1(C)CC([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000381761886 799386984 /nfs/dbraw/zinc/38/69/84/799386984.db2.gz UEGQBDCXQVVODV-UHFFFAOYSA-N 0 1 284.197 3.433 20 10 CGCDMN C[N@H+](Cc1cc(Br)ccc1[O-])C(C)(C)C ZINC000381906489 799389792 /nfs/dbraw/zinc/38/97/92/799389792.db2.gz FCRQCEDOWOEEOH-UHFFFAOYSA-N 0 1 272.186 3.385 20 10 CGCDMN C[N@@H+](Cc1cc(Br)ccc1[O-])C(C)(C)C ZINC000381906489 799389801 /nfs/dbraw/zinc/38/98/01/799389801.db2.gz FCRQCEDOWOEEOH-UHFFFAOYSA-N 0 1 272.186 3.385 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C[C@H](C)OC ZINC000383066589 799400094 /nfs/dbraw/zinc/40/00/94/799400094.db2.gz FUUUWYROJHUSEP-JTQLQIEISA-N 0 1 299.798 3.105 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C[C@H](C)OC ZINC000383066589 799400096 /nfs/dbraw/zinc/40/00/96/799400096.db2.gz FUUUWYROJHUSEP-JTQLQIEISA-N 0 1 299.798 3.105 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C[C@H](C)OC ZINC000383066589 799400098 /nfs/dbraw/zinc/40/00/98/799400098.db2.gz FUUUWYROJHUSEP-JTQLQIEISA-N 0 1 299.798 3.105 20 10 CGCDMN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000384314623 799415292 /nfs/dbraw/zinc/41/52/92/799415292.db2.gz RVNPQZGFRNDZOB-ZUZCIYMTSA-N 0 1 279.355 3.354 20 10 CGCDMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000384314623 799415297 /nfs/dbraw/zinc/41/52/97/799415297.db2.gz RVNPQZGFRNDZOB-ZUZCIYMTSA-N 0 1 279.355 3.354 20 10 CGCDMN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(F)F ZINC000389936318 799466966 /nfs/dbraw/zinc/46/69/66/799466966.db2.gz JHBBZQIMHFCZRB-RXMQYKEDSA-N 0 1 270.106 3.442 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CC12CCCC2 ZINC000395631280 799505715 /nfs/dbraw/zinc/50/57/15/799505715.db2.gz CNJUIIDYNSKMRK-ZDUSSCGKSA-N 0 1 251.757 3.468 20 10 CGCDMN C[C@H]1CCC[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)O1 ZINC000688900972 799758076 /nfs/dbraw/zinc/75/80/76/799758076.db2.gz QBVMNECRGFRJEQ-QWRGUYRKSA-N 0 1 269.772 3.093 20 10 CGCDMN COc1ccc(O)c([C@H](C)N[C@H](C)c2cscn2)c1 ZINC000700444507 799872182 /nfs/dbraw/zinc/87/21/82/799872182.db2.gz RXXLTCDITVIKSI-VHSXEESVSA-N 0 1 278.377 3.269 20 10 CGCDMN CC(C)O[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000701717408 799892654 /nfs/dbraw/zinc/89/26/54/799892654.db2.gz AGFDNTLGKGUUHI-CYBMUJFWSA-N 0 1 269.772 3.045 20 10 CGCDMN CC(C)O[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000701717408 799892661 /nfs/dbraw/zinc/89/26/61/799892661.db2.gz AGFDNTLGKGUUHI-CYBMUJFWSA-N 0 1 269.772 3.045 20 10 CGCDMN CC(C)CC[NH2+]Cc1c([O-])cccc1Br ZINC000706842448 799966976 /nfs/dbraw/zinc/96/69/76/799966976.db2.gz KEIIIUJFHXMVFQ-UHFFFAOYSA-N 0 1 272.186 3.290 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711427516 800057059 /nfs/dbraw/zinc/05/70/59/800057059.db2.gz QAKCPUFLUFNWCB-LLVKDONJSA-N 0 1 281.783 3.237 20 10 CGCDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CCCOC1 ZINC000723951971 800344844 /nfs/dbraw/zinc/34/48/44/800344844.db2.gz PYWPPGNAERDBLY-RISCZKNCSA-N 0 1 283.799 3.340 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725126554 800375077 /nfs/dbraw/zinc/37/50/77/800375077.db2.gz RZWREPAEFNIGRL-AWEZNQCLSA-N 0 1 283.799 3.076 20 10 CGCDMN C[C@@H]1CN(Cc2ccc(N)cc2)C[C@@H](c2ccccc2)O1 ZINC001120370841 802742688 /nfs/dbraw/zinc/74/26/88/802742688.db2.gz HFCZNANCPHISME-KDOFPFPSSA-N 0 1 282.387 3.231 20 10 CGCDMN CN(Cc1ccc(N2CCCC2)cc1)Cc1ccc(F)nc1 ZINC001137741198 803766101 /nfs/dbraw/zinc/76/61/01/803766101.db2.gz QGWBDDGRZDVIBO-UHFFFAOYSA-N 0 1 299.393 3.453 20 10 CGCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2F)CCC1(F)F ZINC001137832832 803777472 /nfs/dbraw/zinc/77/74/72/803777472.db2.gz JOAHKDROEFDUEJ-UHFFFAOYSA-N 0 1 273.298 3.399 20 10 CGCDMN C[N@@H+](CC/C=C/c1cccnc1)Cc1cccc(F)c1[O-] ZINC001138129898 803865087 /nfs/dbraw/zinc/86/50/87/803865087.db2.gz YKDVFOOKCZGLDI-QHHAFSJGSA-N 0 1 286.350 3.462 20 10 CGCDMN F[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]2C[C@@H]21 ZINC001138215593 803875146 /nfs/dbraw/zinc/87/51/46/803875146.db2.gz KOUWWOKVBLKZEN-RYQLBKOJSA-N 0 1 288.410 3.467 20 10 CGCDMN CN1CCCc2cc(CN3CC4(C3)CC(F)(F)C4)ccc21 ZINC001138354795 803901344 /nfs/dbraw/zinc/90/13/44/803901344.db2.gz VEJWNUJTVGEKJD-UHFFFAOYSA-N 0 1 292.373 3.300 20 10 CGCDMN CCN(CC)c1ccc(CN2CCSCC2)c(OC)c1 ZINC001138386915 803912726 /nfs/dbraw/zinc/91/27/26/803912726.db2.gz ZWBCQKPMEFGFGH-UHFFFAOYSA-N 0 1 294.464 3.090 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001139681103 804250692 /nfs/dbraw/zinc/25/06/92/804250692.db2.gz IGQZGOPFLMGRBK-QWRGUYRKSA-N 0 1 267.319 3.292 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139683504 804251984 /nfs/dbraw/zinc/25/19/84/804251984.db2.gz DIRGEGBMPJOEGL-SNVBAGLBSA-N 0 1 255.308 3.292 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001139682654 804252840 /nfs/dbraw/zinc/25/28/40/804252840.db2.gz AOJNRVDUVCRIBB-ZETCQYMHSA-N 0 1 281.224 3.055 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139683500 804253188 /nfs/dbraw/zinc/25/31/88/804253188.db2.gz DIRGEGBMPJOEGL-JTQLQIEISA-N 0 1 255.308 3.292 20 10 CGCDMN CC[N@@H+](Cc1ccc(C)nc1)Cc1ccccc1O ZINC001139933271 804329861 /nfs/dbraw/zinc/32/98/61/804329861.db2.gz VBOWJOJWSCIUBP-UHFFFAOYSA-N 0 1 256.349 3.118 20 10 CGCDMN CN(Cc1cc(C(F)(F)F)ccn1)Cc1ccccc1O ZINC001140108705 804380468 /nfs/dbraw/zinc/38/04/68/804380468.db2.gz KTCSANFRXDQCRD-UHFFFAOYSA-N 0 1 296.292 3.438 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001140341715 804419800 /nfs/dbraw/zinc/41/98/00/804419800.db2.gz DLJHYGYJJAEKBV-ZDUSSCGKSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001140341715 804419804 /nfs/dbraw/zinc/41/98/04/804419804.db2.gz DLJHYGYJJAEKBV-ZDUSSCGKSA-N 0 1 295.810 3.294 20 10 CGCDMN CC(C)[N@@H+](CCCCCO)Cc1ccc(Cl)cc1[O-] ZINC001140464280 804442301 /nfs/dbraw/zinc/44/23/01/804442301.db2.gz JLIHACJEIZYPHM-UHFFFAOYSA-N 0 1 285.815 3.419 20 10 CGCDMN COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466265 804444333 /nfs/dbraw/zinc/44/43/33/804444333.db2.gz DLMXASVCYVCOSD-AWEZNQCLSA-N 0 1 283.799 3.435 20 10 CGCDMN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140466265 804444337 /nfs/dbraw/zinc/44/43/37/804444337.db2.gz DLMXASVCYVCOSD-AWEZNQCLSA-N 0 1 283.799 3.435 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001140582775 804466469 /nfs/dbraw/zinc/46/64/69/804466469.db2.gz MQDDNGOOJWCYNP-HNNXBMFYSA-N 0 1 290.313 3.403 20 10 CGCDMN Cc1ccc(O)c(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1 ZINC001140617495 804476248 /nfs/dbraw/zinc/47/62/48/804476248.db2.gz REFQFNHRXYKFIM-LSDHHAIUSA-N 0 1 273.376 3.034 20 10 CGCDMN CC[N@@H+](Cc1ccc2nccn2c1)Cc1ccccc1O ZINC001143033825 804797274 /nfs/dbraw/zinc/79/72/74/804797274.db2.gz JTWLTVZFVZYAKA-UHFFFAOYSA-N 0 1 281.359 3.062 20 10 CGCDMN Cc1ncc(C[N@H+](C)Cc2cccc(C(C)(C)C)c2O)cn1 ZINC001143111885 804804012 /nfs/dbraw/zinc/80/40/12/804804012.db2.gz HNDWTKCAFWYCJN-UHFFFAOYSA-N 0 1 299.418 3.420 20 10 CGCDMN Cc1ncc(CN(C)Cc2cccc(C(C)(C)C)c2O)cn1 ZINC001143111885 804804016 /nfs/dbraw/zinc/80/40/16/804804016.db2.gz HNDWTKCAFWYCJN-UHFFFAOYSA-N 0 1 299.418 3.420 20 10 CGCDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2CCC[C@@H](O)C2)cc1Cl ZINC001248880826 805030362 /nfs/dbraw/zinc/03/03/62/805030362.db2.gz NNQPMVAWNGSNNJ-GFCCVEGCSA-N 0 1 297.826 3.300 20 10 CGCDMN CC(C)(C)c1cc([O-])c(C[N@H+]2CCC[C@@H](O)C2)cc1Cl ZINC001248880826 805030376 /nfs/dbraw/zinc/03/03/76/805030376.db2.gz NNQPMVAWNGSNNJ-GFCCVEGCSA-N 0 1 297.826 3.300 20 10 CGCDMN CC(C)(C)c1cc([O-])c(C[N@@H+]2CC[C@](C)(O)C2)cc1Cl ZINC001248880749 805030533 /nfs/dbraw/zinc/03/05/33/805030533.db2.gz MFRACJPZTAUNAS-INIZCTEOSA-N 0 1 297.826 3.300 20 10 CGCDMN CC(C)(C)c1cc([O-])c(C[N@H+]2CC[C@](C)(O)C2)cc1Cl ZINC001248880749 805030543 /nfs/dbraw/zinc/03/05/43/805030543.db2.gz MFRACJPZTAUNAS-INIZCTEOSA-N 0 1 297.826 3.300 20 10 CGCDMN Oc1cccc2c1C[N@H+]([C@@H]1CCc3c(F)cccc3C1)CC2 ZINC001171442894 808059760 /nfs/dbraw/zinc/05/97/60/808059760.db2.gz UCBCJHZADMUIPJ-OAHLLOKOSA-N 0 1 297.373 3.447 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC001180332818 809994625 /nfs/dbraw/zinc/99/46/25/809994625.db2.gz UPZDKKZEXCVMGM-WFASDCNBSA-N 0 1 297.826 3.337 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC001180332818 809994628 /nfs/dbraw/zinc/99/46/28/809994628.db2.gz UPZDKKZEXCVMGM-WFASDCNBSA-N 0 1 297.826 3.337 20 10 CGCDMN C[C@]1(C[NH2+]Cc2ccc(Cl)cc2[O-])CCO[C@@H]1C1CC1 ZINC001180592110 810012739 /nfs/dbraw/zinc/01/27/39/810012739.db2.gz BSLWUWOWBUKNPJ-HZPDHXFCSA-N 0 1 295.810 3.340 20 10 CGCDMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001181544687 810058945 /nfs/dbraw/zinc/05/89/45/810058945.db2.gz VWEDHCMPEZICOE-MWLCHTKSSA-N 0 1 255.308 3.433 20 10 CGCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CC(C)(C)C1 ZINC001182252197 810100067 /nfs/dbraw/zinc/10/00/67/810100067.db2.gz YWFSOYMVYTUQBO-UHFFFAOYSA-N 0 1 255.308 3.291 20 10 CGCDMN Oc1cc2c(cc1O)CN(CCCC(F)(F)F)CCC2 ZINC001202433975 812092093 /nfs/dbraw/zinc/09/20/93/812092093.db2.gz XIWMQSQLDAPOKI-UHFFFAOYSA-N 0 1 289.297 3.189 20 10 CGCDMN CC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203584623 812399934 /nfs/dbraw/zinc/39/99/34/812399934.db2.gz DJHQIJDDVWYAML-VIFPVBQESA-N 0 1 288.174 3.110 20 10 CGCDMN CN(Cc1ccc(Cl)cc1)Cc1ccc(O)c(O)c1 ZINC001203882776 812479298 /nfs/dbraw/zinc/47/92/98/812479298.db2.gz VFZVSGNEBHDKGA-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN CCN(CC)c1ccc(CN2C[C@@H](C)[C@@H](F)C2)cc1 ZINC001203935338 812496543 /nfs/dbraw/zinc/49/65/43/812496543.db2.gz FGKHBBCZHWMKEH-CJNGLKHVSA-N 0 1 264.388 3.323 20 10 CGCDMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001204163723 812559443 /nfs/dbraw/zinc/55/94/43/812559443.db2.gz SWSLGPWJMZHQQB-VHSXEESVSA-N 0 1 255.308 3.291 20 10 CGCDMN C[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)CCO1 ZINC001204235233 812581162 /nfs/dbraw/zinc/58/11/62/812581162.db2.gz LBBAJRZGPNTTCX-CQSZACIVSA-N 0 1 284.403 3.127 20 10 CGCDMN c1cc2c(o1)CCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204328034 812614690 /nfs/dbraw/zinc/61/46/90/812614690.db2.gz BBIGSHJULNGBSK-UHFFFAOYSA-N 0 1 282.387 3.438 20 10 CGCDMN C[C@@]1([NH3+])CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001204945924 812791840 /nfs/dbraw/zinc/79/18/40/812791840.db2.gz KIEUMBNCCZCSRG-CYBMUJFWSA-N 0 1 289.206 3.012 20 10 CGCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2[O-])C12CCC2 ZINC001205822015 813097569 /nfs/dbraw/zinc/09/75/69/813097569.db2.gz LCEMMFUOBOHUIO-KGLIPLIRSA-N 0 1 297.345 3.060 20 10 CGCDMN CC[C@]1(O)CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC001207103136 813486666 /nfs/dbraw/zinc/48/66/66/813486666.db2.gz VSALTSHNGSVLPM-HNNXBMFYSA-N 0 1 283.799 3.091 20 10 CGCDMN CC[C@]1(O)CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC001207103136 813486670 /nfs/dbraw/zinc/48/66/70/813486670.db2.gz VSALTSHNGSVLPM-HNNXBMFYSA-N 0 1 283.799 3.091 20 10 CGCDMN CCN(Cc1ccnn1C(C)C)Cc1ccccc1O ZINC001207175180 813505189 /nfs/dbraw/zinc/50/51/89/813505189.db2.gz ZFPQDKUTZSWKGD-UHFFFAOYSA-N 0 1 273.380 3.192 20 10 CGCDMN CC(C)(O)[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590439 818129701 /nfs/dbraw/zinc/12/97/01/818129701.db2.gz ADYMIJNDXIPUPQ-QGZVFWFLSA-N 0 1 285.387 3.281 20 10 CGCDMN CCN1CC[N@@H+](Cc2c(O)ccc3ccccc32)C(C)(C)C1 ZINC001231589799 818130430 /nfs/dbraw/zinc/13/04/30/818130430.db2.gz RCMRWIIKDKPSTG-UHFFFAOYSA-N 0 1 298.430 3.462 20 10 CGCDMN COC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC001231868710 818194385 /nfs/dbraw/zinc/19/43/85/818194385.db2.gz WQVROWOMXJHWIV-ZDUSSCGKSA-N 0 1 283.799 3.355 20 10 CGCDMN COC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(C)cc1[O-] ZINC001231868710 818194388 /nfs/dbraw/zinc/19/43/88/818194388.db2.gz WQVROWOMXJHWIV-ZDUSSCGKSA-N 0 1 283.799 3.355 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@@H]1F ZINC001231879953 818198771 /nfs/dbraw/zinc/19/87/71/818198771.db2.gz YFNQUGVQYOQENQ-ABAIWWIYSA-N 0 1 259.324 3.335 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[O-]c1cc(Br)ccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC001347396279 936882824 /nfs/dbraw/zinc/88/28/24/936882824.db2.gz VNGDSJLQPATJQR-ICCXJUOJSA-N 0 1 296.208 3.433 20 10 CGCDMN CCc1noc(C)c1CNCc1ccc(N2CCCC2)cc1 ZINC001347645979 936890562 /nfs/dbraw/zinc/89/05/62/936890562.db2.gz COSZORKAIPFYJA-UHFFFAOYSA-N 0 1 299.418 3.435 20 10 CGCDMN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)cc1[O-] ZINC001462213800 937625575 /nfs/dbraw/zinc/62/55/75/937625575.db2.gz CLMCCMCRTOSTSX-WFASDCNBSA-N 0 1 294.826 3.104 20 10 CGCDMN Cc1n[nH]c(CN(C)Cc2ccc(N3CCCC3)cc2)c1C ZINC001308748844 933170594 /nfs/dbraw/zinc/17/05/94/933170594.db2.gz UHFVXESSYUOUIT-UHFFFAOYSA-N 0 1 298.434 3.259 20 10 CGCDMN Cc1[nH]nc(CN(C)Cc2ccc(N3CCCC3)cc2)c1C ZINC001308748844 933170596 /nfs/dbraw/zinc/17/05/96/933170596.db2.gz UHFVXESSYUOUIT-UHFFFAOYSA-N 0 1 298.434 3.259 20 10 CGCDMN CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(Cl)cc1[O-])C1CC1 ZINC001308821537 933184008 /nfs/dbraw/zinc/18/40/08/933184008.db2.gz SEZOZUCWZQTIOK-BONVTDFDSA-N 0 1 283.799 3.339 20 10 CGCDMN Cc1cc(O)c(CN2C[C@H](C)OC3(CCC3)C2)c(Cl)c1 ZINC001308847980 933189596 /nfs/dbraw/zinc/18/95/96/933189596.db2.gz HNQWNYANSPHSPI-LBPRGKRZSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1ccc(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)c(O)c1 ZINC001308883386 933197609 /nfs/dbraw/zinc/19/76/09/933197609.db2.gz HDVNBDIZCIDUKW-GOSISDBHSA-N 0 1 296.414 3.411 20 10 CGCDMN Nc1ccc(CNC2(c3ccccc3F)CC2)cc1 ZINC001334775275 936112940 /nfs/dbraw/zinc/11/29/40/936112940.db2.gz UXGMYPOYANYJNO-UHFFFAOYSA-N 0 1 256.324 3.187 20 10 CGCDMN Cc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2[O-])o1 ZINC001474412705 937858305 /nfs/dbraw/zinc/85/83/05/937858305.db2.gz CMGCTZCGNYKOOU-UHFFFAOYSA-N 0 1 267.275 3.204 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[O-])CS1 ZINC001474581312 937868482 /nfs/dbraw/zinc/86/84/82/937868482.db2.gz QUSUWQCPEOEILI-GZMMTYOYSA-N 0 1 257.786 3.029 20 10 CGCDMN CCCN(C)CC(C)(C)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001474642037 937872462 /nfs/dbraw/zinc/87/24/62/937872462.db2.gz UXDKXKRHEHDEPV-UHFFFAOYSA-N 0 1 284.831 3.256 20 10 CGCDMN C[C@@H](NCc1cn2cccc(F)c2n1)c1ccccc1O ZINC001560575766 938263496 /nfs/dbraw/zinc/26/34/96/938263496.db2.gz RSESXQFMRSBZPY-LLVKDONJSA-N 0 1 285.322 3.030 20 10 CGCDMN CC[C@H]1CN(Cc2ccc(Cl)cc2O)C[C@H](CC)O1 ZINC001560894871 938282370 /nfs/dbraw/zinc/28/23/70/938282370.db2.gz XGVRRKLCDGHTDC-KBPBESRZSA-N 0 1 283.799 3.435 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC001560961232 938286286 /nfs/dbraw/zinc/28/62/86/938286286.db2.gz MUYCWPOWKZHGKD-OAHLLOKOSA-N 0 1 294.826 3.152 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(n2cccn2)CC1 ZINC000092617878 345847545 /nfs/dbraw/zinc/84/75/45/345847545.db2.gz DJLLIIPKEDUIIS-UHFFFAOYSA-N 0 1 291.782 3.079 20 10 CGCDMN CCOc1ccc(O)c(CN(C)Cc2ccoc2C)c1 ZINC000092451849 370098618 /nfs/dbraw/zinc/09/86/18/370098618.db2.gz DVEXGELGEKKJLE-UHFFFAOYSA-N 0 1 275.348 3.324 20 10 CGCDMN Cc1csc(C(C)(C)NCc2ccccc2O)n1 ZINC000116382640 370559472 /nfs/dbraw/zinc/55/94/72/370559472.db2.gz YNJBWUPGQQMASO-UHFFFAOYSA-N 0 1 262.378 3.182 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CCC2)c1[O-] ZINC000135822176 371450531 /nfs/dbraw/zinc/45/05/31/371450531.db2.gz NBOIKOIUDWIEMR-UHFFFAOYSA-N 0 1 267.756 3.233 20 10 CGCDMN Cc1ncsc1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000294964782 372681758 /nfs/dbraw/zinc/68/17/58/372681758.db2.gz IPKRHVQAMZYEOK-UHFFFAOYSA-N 0 1 282.796 3.143 20 10 CGCDMN CC1(C)C[C@@H](O)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000295143977 372696055 /nfs/dbraw/zinc/69/60/55/372696055.db2.gz BZUWKLUEDQFSMO-LBPRGKRZSA-N 0 1 283.799 3.029 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000179780404 373917182 /nfs/dbraw/zinc/91/71/82/373917182.db2.gz NKHZDRNHHNACIW-NSHDSACASA-N 0 1 291.782 3.148 20 10 CGCDMN COCCC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCC1 ZINC000185753698 374730614 /nfs/dbraw/zinc/73/06/14/374730614.db2.gz MGMKHNQZXAJGCJ-LBPRGKRZSA-N 0 1 281.371 3.389 20 10 CGCDMN Cc1nc(CC[NH2+]Cc2c([O-])cccc2Cl)cs1 ZINC000226646000 376368053 /nfs/dbraw/zinc/36/80/53/376368053.db2.gz INOPOZQQYRUREH-UHFFFAOYSA-N 0 1 282.796 3.143 20 10 CGCDMN Cc1cc(Cl)cc(C[NH2+]CC2(CCO)CCCC2)c1[O-] ZINC000271792741 378504890 /nfs/dbraw/zinc/50/48/90/378504890.db2.gz HDYPYFIXKHEPGE-UHFFFAOYSA-N 0 1 297.826 3.386 20 10 CGCDMN C[N@@H+](Cc1cccc(F)c1[O-])C1Cc2ccccc2C1 ZINC000272332553 378613436 /nfs/dbraw/zinc/61/34/36/378613436.db2.gz WSHIATMSZDDMHZ-UHFFFAOYSA-N 0 1 271.335 3.131 20 10 CGCDMN Cc1ccc(O)c([C@@H](C)N[C@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000273464429 378748945 /nfs/dbraw/zinc/74/89/45/378748945.db2.gz IPYLBGWUZZUFRH-VXGBXAGGSA-N 0 1 288.395 3.354 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000371803996 379177209 /nfs/dbraw/zinc/17/72/09/379177209.db2.gz TXSKAXYLYWFCSP-ZDUSSCGKSA-N 0 1 295.810 3.294 20 10 CGCDMN Cc1cc([C@H]2CCCN2Cc2cccc(C)c2O)no1 ZINC000375023683 379484672 /nfs/dbraw/zinc/48/46/72/379484672.db2.gz VHZUPBJPPURFCJ-OAHLLOKOSA-N 0 1 272.348 3.334 20 10 CGCDMN CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000281340180 379830167 /nfs/dbraw/zinc/83/01/67/379830167.db2.gz SPDCCUWNBBJRLY-LBPRGKRZSA-N 0 1 269.772 3.047 20 10 CGCDMN C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186074965 262078526 /nfs/dbraw/zinc/07/85/26/262078526.db2.gz RMMAHYGMPZBGOB-QWRGUYRKSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cncs1 ZINC000122434983 392422530 /nfs/dbraw/zinc/42/25/30/392422530.db2.gz DISLYVSJGTVTKW-SNVBAGLBSA-N 0 1 279.384 3.199 20 10 CGCDMN COC[C@@H](NCc1cc(C)ccc1O)c1ccc(C)o1 ZINC000177565852 392662481 /nfs/dbraw/zinc/66/24/81/392662481.db2.gz BBAKIQYJFJZCCU-CQSZACIVSA-N 0 1 275.348 3.079 20 10 CGCDMN C[C@H]([NH2+]CCN1CCCC1)c1ccc2ccccc2c1[O-] ZINC000020126829 171011003 /nfs/dbraw/zinc/01/10/03/171011003.db2.gz YILPJZHVUHRLCQ-AWEZNQCLSA-N 0 1 284.403 3.292 20 10 CGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccnc1 ZINC000020127712 171013902 /nfs/dbraw/zinc/01/39/02/171013902.db2.gz QSQZWLVVWMYUMO-JTQLQIEISA-N 0 1 262.740 3.291 20 10 CGCDMN C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c([O-])cccc1Cl ZINC000368043419 267141324 /nfs/dbraw/zinc/14/13/24/267141324.db2.gz PMAFSOSEYZTCNX-STQMWFEESA-N 0 1 294.826 3.104 20 10 CGCDMN C[C@H]1Oc2ccccc2[C@H]1NCc1ccc(N(C)C)cc1 ZINC000288516668 280086597 /nfs/dbraw/zinc/08/65/97/280086597.db2.gz JGBLEBDBYGTITJ-ACJLOTCBSA-N 0 1 282.387 3.364 20 10 CGCDMN C[C@H](NCc1ccccc1O)c1nccn1-c1ccccc1 ZINC000377410363 329014694 /nfs/dbraw/zinc/01/46/94/329014694.db2.gz XDWSNHVZRROHGN-AWEZNQCLSA-N 0 1 293.370 3.429 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000378503336 329053402 /nfs/dbraw/zinc/05/34/02/329053402.db2.gz ZCOHJUUQHIIINM-NSHDSACASA-N 0 1 261.296 3.114 20 10 CGCDMN CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000527978674 330302331 /nfs/dbraw/zinc/30/23/31/330302331.db2.gz LFSYEWKWYCNGFL-FZQKWOKYSA-N 0 1 269.772 3.264 20 10 CGCDMN CCc1nnc([C@H](C)N[C@@H](CC)c2ccc(C)cc2O)[nH]1 ZINC000280177840 522453306 /nfs/dbraw/zinc/45/33/06/522453306.db2.gz RMSVHMVCWYWTRO-AAEUAGOBSA-N 0 1 288.395 3.183 20 10 CGCDMN COC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000211400359 522475855 /nfs/dbraw/zinc/47/58/55/522475855.db2.gz STCDLIXLURNDHX-SECBINFHSA-N 0 1 290.190 3.167 20 10 CGCDMN CC[C@H](NCc1nccs1)c1ccc(C)cc1O ZINC000279996203 522669565 /nfs/dbraw/zinc/66/95/65/522669565.db2.gz FQLYFSXLIANRPZ-LBPRGKRZSA-N 0 1 262.378 3.398 20 10 CGCDMN COc1ccc(CNCc2cnc(C)s2)cc1C ZINC000040997797 524073291 /nfs/dbraw/zinc/07/32/91/524073291.db2.gz HQECKLDVNMUEFX-UHFFFAOYSA-N 0 1 262.378 3.058 20 10 CGCDMN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000292858045 524816615 /nfs/dbraw/zinc/81/66/15/524816615.db2.gz VALNCYAOGXTVDA-KWQFWETISA-N 0 1 290.190 3.044 20 10 CGCDMN Cc1csc(CN[C@H](C)c2cc(F)ccc2O)n1 ZINC000094617788 526361042 /nfs/dbraw/zinc/36/10/42/526361042.db2.gz PGOJVRFWJPFQBR-SECBINFHSA-N 0 1 266.341 3.147 20 10 CGCDMN Cc1cccc(F)c1CNCc1ccc(N(C)C)cc1 ZINC000742381101 572572992 /nfs/dbraw/zinc/57/29/92/572572992.db2.gz WWOULHKWSDTUFJ-UHFFFAOYSA-N 0 1 272.367 3.490 20 10 CGCDMN C[C@@H]1C[NH+](Cc2c([O-])cccc2Cl)C[C@@H](C)S1 ZINC000120516886 617717124 /nfs/dbraw/zinc/71/71/24/617717124.db2.gz JDCUCFGUHVKCPY-NXEZZACHSA-N 0 1 271.813 3.371 20 10 CGCDMN CCOc1cccc(CN(C)Cc2c(C)noc2C)c1O ZINC000091812640 617792655 /nfs/dbraw/zinc/79/26/55/617792655.db2.gz RJGPMTQNTIAVEQ-UHFFFAOYSA-N 0 1 290.363 3.028 20 10 CGCDMN CCn1ccc(CN[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000840840419 618246590 /nfs/dbraw/zinc/24/65/90/618246590.db2.gz KCNZOANHHSGRFH-ZWNOBZJWSA-N 0 1 289.354 3.086 20 10 CGCDMN CCN(CC)c1ccc(CN2CCCO[C@H](C)C2)cc1F ZINC000179396838 618781590 /nfs/dbraw/zinc/78/15/90/618781590.db2.gz OZEMXQMNJKYGCR-CQSZACIVSA-N 0 1 294.414 3.283 20 10 CGCDMN Cc1cc(O)c(CN2CCn3cccc3[C@@H]2C)cc1C ZINC000179565536 618795351 /nfs/dbraw/zinc/79/53/51/618795351.db2.gz PKHDUZIXKRLQJH-AWEZNQCLSA-N 0 1 270.376 3.387 20 10 CGCDMN CC(C)Cn1ccnc1CN[C@@H](C)c1ccccc1O ZINC000183529875 619044607 /nfs/dbraw/zinc/04/46/07/619044607.db2.gz MQYDRCYEADROSV-ZDUSSCGKSA-N 0 1 273.380 3.096 20 10 CGCDMN CC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H](C)O1 ZINC000775662766 619084168 /nfs/dbraw/zinc/08/41/68/619084168.db2.gz WJSGGWYWQLSPNW-CABZTGNLSA-N 0 1 287.762 3.184 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c(Cl)c1 ZINC000840950190 619252804 /nfs/dbraw/zinc/25/28/04/619252804.db2.gz GOVONUALMMGUTF-GFCCVEGCSA-N 0 1 297.826 3.337 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c(Cl)c1 ZINC000840950190 619252806 /nfs/dbraw/zinc/25/28/06/619252806.db2.gz GOVONUALMMGUTF-GFCCVEGCSA-N 0 1 297.826 3.337 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000894789860 619632919 /nfs/dbraw/zinc/63/29/19/619632919.db2.gz LHACLHPUJBSWSI-ZFWWWQNUSA-N 0 1 297.345 3.060 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CC(C(F)(F)F)C1 ZINC000894892181 619670878 /nfs/dbraw/zinc/67/08/78/619670878.db2.gz YSFROCWTXZMUNC-UHFFFAOYSA-N 0 1 283.652 3.179 20 10 CGCDMN Clc1ncc(CNCc2ccc3c(c2)CCCO3)s1 ZINC000895193927 619775732 /nfs/dbraw/zinc/77/57/32/619775732.db2.gz WLSHMZNXAJPLJD-UHFFFAOYSA-N 0 1 294.807 3.411 20 10 CGCDMN Cc1ccc([C@H](C)NCc2nccn2CC(C)C)c(O)c1 ZINC000185546123 625374401 /nfs/dbraw/zinc/37/44/01/625374401.db2.gz PNSPXLNMTGTHKM-AWEZNQCLSA-N 0 1 287.407 3.404 20 10 CGCDMN Oc1c(C[N@H+]2CC[C@H](CF)C2)ccc2ccccc21 ZINC000895572623 619851279 /nfs/dbraw/zinc/85/12/79/619851279.db2.gz KOFJYUCKSFJQRO-GFCCVEGCSA-N 0 1 259.324 3.337 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@H](CF)C2)ccc2ccccc21 ZINC000895572623 619851282 /nfs/dbraw/zinc/85/12/82/619851282.db2.gz KOFJYUCKSFJQRO-GFCCVEGCSA-N 0 1 259.324 3.337 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@H](CF)C2)ccc2ccccc21 ZINC000895572623 619851286 /nfs/dbraw/zinc/85/12/86/619851286.db2.gz KOFJYUCKSFJQRO-GFCCVEGCSA-N 0 1 259.324 3.337 20 10 CGCDMN [O-]c1c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)ccc2ccccc21 ZINC000895778621 619884988 /nfs/dbraw/zinc/88/49/88/619884988.db2.gz AWTGQEQWCGDSSM-GASCZTMLSA-N 0 1 285.412 3.340 20 10 CGCDMN [O-]c1c(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)ccc2ccccc21 ZINC000895778621 619884989 /nfs/dbraw/zinc/88/49/89/619884989.db2.gz AWTGQEQWCGDSSM-GASCZTMLSA-N 0 1 285.412 3.340 20 10 CGCDMN Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897269895 620175781 /nfs/dbraw/zinc/17/57/81/620175781.db2.gz SENHYWPRSYRHOP-CQSZACIVSA-N 0 1 293.382 3.170 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2CC3(C2)CO[C@H](C)C3)cc1Cl ZINC000897775350 620427917 /nfs/dbraw/zinc/42/79/17/620427917.db2.gz CAHGPULZQPABJN-FFKNIBCLSA-N 0 1 295.810 3.401 20 10 CGCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Cl)c1cncs1 ZINC000897934260 620448724 /nfs/dbraw/zinc/44/87/24/620448724.db2.gz GMXWTJNLLSWCOX-QMMMGPOBSA-N 0 1 268.769 3.353 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000903302094 621668261 /nfs/dbraw/zinc/66/82/61/621668261.db2.gz YULUXJVKORMRPY-OGHNNQOOSA-N 0 1 284.403 3.289 20 10 CGCDMN COc1cc(Cl)cc(CNCc2cccc(C)n2)c1O ZINC000228671332 623069670 /nfs/dbraw/zinc/06/96/70/623069670.db2.gz BDSFUWLGWYOCCC-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN CC[C@@H](N)C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817980997 625632825 /nfs/dbraw/zinc/63/28/25/625632825.db2.gz YUBJWYOTIHCZLI-KCJUWKMLSA-N 0 1 291.222 3.477 20 10 CGCDMN CCc1nc(CN[C@H](C)c2cc(OC)ccc2O)cs1 ZINC000182363250 624992225 /nfs/dbraw/zinc/99/22/25/624992225.db2.gz UHMFAXCQYYNONA-SNVBAGLBSA-N 0 1 292.404 3.271 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2ncc(C)s2)c1 ZINC000182381447 624995119 /nfs/dbraw/zinc/99/51/19/624995119.db2.gz WFKKYFYNCKXKDE-SNVBAGLBSA-N 0 1 278.377 3.017 20 10 CGCDMN CCN(C)c1ccc([C@H](C)N[C@@H](C)c2ccn(C)n2)cc1 ZINC000840816445 626273851 /nfs/dbraw/zinc/27/38/51/626273851.db2.gz NIQVOKIDNNFYGY-KBPBESRZSA-N 0 1 286.423 3.288 20 10 CGCDMN C[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1ccn(C)n1 ZINC000840818801 626321986 /nfs/dbraw/zinc/32/19/86/626321986.db2.gz ZSWVKTAODHHYMS-CHWSQXEVSA-N 0 1 299.418 3.416 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000753576214 626456193 /nfs/dbraw/zinc/45/61/93/626456193.db2.gz PLIBWSWQQLEVNB-GFCCVEGCSA-N 0 1 263.381 3.269 20 10 CGCDMN COc1cccc([O-])c1C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000753576214 626456195 /nfs/dbraw/zinc/45/61/95/626456195.db2.gz PLIBWSWQQLEVNB-GFCCVEGCSA-N 0 1 263.381 3.269 20 10 CGCDMN C[N@H+](CCc1nccs1)Cc1c([O-])ccc2ccncc21 ZINC000753811962 626466591 /nfs/dbraw/zinc/46/65/91/626466591.db2.gz PVTZQWIKNBVPDV-UHFFFAOYSA-N 0 1 299.399 3.071 20 10 CGCDMN C[N@@H+](CCc1nccs1)Cc1c([O-])ccc2ccncc21 ZINC000753811962 626466592 /nfs/dbraw/zinc/46/65/92/626466592.db2.gz PVTZQWIKNBVPDV-UHFFFAOYSA-N 0 1 299.399 3.071 20 10 CGCDMN C[C@@H]1CSCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000754155924 626561099 /nfs/dbraw/zinc/56/10/99/626561099.db2.gz LTYAZZDEXXOUTK-JTQLQIEISA-N 0 1 271.813 3.231 20 10 CGCDMN C[C@@H]1CSCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000754155924 626561102 /nfs/dbraw/zinc/56/11/02/626561102.db2.gz LTYAZZDEXXOUTK-JTQLQIEISA-N 0 1 271.813 3.231 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)CCS1 ZINC000756147810 626681276 /nfs/dbraw/zinc/68/12/76/626681276.db2.gz VRVYUSSTWBKMCA-SNVBAGLBSA-N 0 1 271.813 3.373 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)CCS1 ZINC000756147810 626681279 /nfs/dbraw/zinc/68/12/79/626681279.db2.gz VRVYUSSTWBKMCA-SNVBAGLBSA-N 0 1 271.813 3.373 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2cc(C(C)C)no2)c1 ZINC000756574581 626716885 /nfs/dbraw/zinc/71/68/85/626716885.db2.gz XRZWWTAMJKWWKB-LLVKDONJSA-N 0 1 290.363 3.363 20 10 CGCDMN COC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(C)C ZINC000756599349 626719784 /nfs/dbraw/zinc/71/97/84/626719784.db2.gz ZPLUGISTUAQESV-GXFFZTMASA-N 0 1 271.788 3.367 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCC2)c2c1c(F)ccc2[O-] ZINC000756765950 626729875 /nfs/dbraw/zinc/72/98/75/626729875.db2.gz TWQRUKNARIRJHH-YPMHNXCESA-N 0 1 293.382 3.222 20 10 CGCDMN Cc1ccc(O)c([C@H](C)Nc2cnn(-c3ccncc3)c2)c1 ZINC000756868394 626738512 /nfs/dbraw/zinc/73/85/12/626738512.db2.gz SNCFHVVNWGNNBC-ZDUSSCGKSA-N 0 1 294.358 3.454 20 10 CGCDMN COc1cccc(O)c1CN(C)Cc1ccsc1 ZINC000768204400 627468604 /nfs/dbraw/zinc/46/86/04/627468604.db2.gz XAOVRALYXRHSNS-UHFFFAOYSA-N 0 1 263.362 3.094 20 10 CGCDMN COc1cccc(O)c1CN(C)Cc1ccc(F)c(F)c1 ZINC000768262164 627471903 /nfs/dbraw/zinc/47/19/03/627471903.db2.gz HDSLRHRZGPUULF-UHFFFAOYSA-N 0 1 293.313 3.311 20 10 CGCDMN COC(=O)CC[N@@H+](Cc1c([O-])cccc1Cl)CC(C)C ZINC000768853012 627504180 /nfs/dbraw/zinc/50/41/80/627504180.db2.gz ILIOJYGAHAONLC-UHFFFAOYSA-N 0 1 299.798 3.067 20 10 CGCDMN COC(=O)CC[N@H+](Cc1c([O-])cccc1Cl)CC(C)C ZINC000768853012 627504183 /nfs/dbraw/zinc/50/41/83/627504183.db2.gz ILIOJYGAHAONLC-UHFFFAOYSA-N 0 1 299.798 3.067 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2ccoc2)cc1F ZINC000769007341 627516423 /nfs/dbraw/zinc/51/64/23/627516423.db2.gz ZQMRBMWUORBSMW-UHFFFAOYSA-N 0 1 262.328 3.117 20 10 CGCDMN CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ccccc1O ZINC000770505349 627623773 /nfs/dbraw/zinc/62/37/73/627623773.db2.gz QTZSTSHYFGQHHR-HOTGVXAUSA-N 0 1 277.408 3.418 20 10 CGCDMN CCN(CC)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000772597859 627805730 /nfs/dbraw/zinc/80/57/30/627805730.db2.gz CRPVBKSBVBLELC-GASCZTMLSA-N 0 1 276.424 3.142 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000775491803 628099953 /nfs/dbraw/zinc/09/99/53/628099953.db2.gz KNGAFCJGNLOJPB-CYBMUJFWSA-N 0 1 279.771 3.020 20 10 CGCDMN CC[C@H]([NH2+]C1(COC)CC1)c1cc(Cl)ccc1[O-] ZINC000775540090 628104949 /nfs/dbraw/zinc/10/49/49/628104949.db2.gz IFOHGWIDCYIEOZ-LBPRGKRZSA-N 0 1 269.772 3.265 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)C[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000775552228 628105598 /nfs/dbraw/zinc/10/55/98/628105598.db2.gz SZNCUTKSGAMUNJ-NRUUGDAUSA-N 0 1 271.788 3.246 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOc1ccccc1F ZINC000775773623 628135986 /nfs/dbraw/zinc/13/59/86/628135986.db2.gz ZEXKMGQVYRWFFL-UHFFFAOYSA-N 0 1 295.741 3.353 20 10 CGCDMN COc1ccc(F)cc1CNCc1c(O)cccc1Cl ZINC000778181440 628332317 /nfs/dbraw/zinc/33/23/17/628332317.db2.gz HRRPXJNYSHHFOU-UHFFFAOYSA-N 0 1 295.741 3.483 20 10 CGCDMN COc1ccc(F)cc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000778181440 628332325 /nfs/dbraw/zinc/33/23/25/628332325.db2.gz HRRPXJNYSHHFOU-UHFFFAOYSA-N 0 1 295.741 3.483 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1O ZINC000779432255 628413384 /nfs/dbraw/zinc/41/33/84/628413384.db2.gz QDERGUVXKVBSGT-DOMZBBRYSA-N 0 1 297.826 3.275 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1O ZINC000779432255 628413385 /nfs/dbraw/zinc/41/33/85/628413385.db2.gz QDERGUVXKVBSGT-DOMZBBRYSA-N 0 1 297.826 3.275 20 10 CGCDMN Cc1cc(CN[C@@H](C)c2nccnc2C)ccc1N(C)C ZINC000783252286 628694978 /nfs/dbraw/zinc/69/49/78/628694978.db2.gz OIRNQXDYQCTSBC-AWEZNQCLSA-N 0 1 284.407 3.010 20 10 CGCDMN COc1ccncc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000805750454 628742137 /nfs/dbraw/zinc/74/21/37/628742137.db2.gz LRLUYAYHWGLQNC-ZDUSSCGKSA-N 0 1 285.391 3.007 20 10 CGCDMN CC1=CC[N@H+](Cc2c([O-])cccc2Br)CC1 ZINC000862246925 629330049 /nfs/dbraw/zinc/33/00/49/629330049.db2.gz PEMKIHPDBURZJL-UHFFFAOYSA-N 0 1 282.181 3.307 20 10 CGCDMN CC1=CC[N@@H+](Cc2c([O-])cccc2Br)CC1 ZINC000862246925 629330052 /nfs/dbraw/zinc/33/00/52/629330052.db2.gz PEMKIHPDBURZJL-UHFFFAOYSA-N 0 1 282.181 3.307 20 10 CGCDMN CCC(O)(CC)C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000862538959 629395125 /nfs/dbraw/zinc/39/51/25/629395125.db2.gz GUUNKJGCXSRPDV-UHFFFAOYSA-N 0 1 289.778 3.168 20 10 CGCDMN COc1cc(Cl)cc(CN2[C@H](C)C[C@@H]2C)c1O ZINC000793220847 629430421 /nfs/dbraw/zinc/43/04/21/629430421.db2.gz RXLIPOTWBULHCX-DTORHVGOSA-N 0 1 255.745 3.037 20 10 CGCDMN Cc1nccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000796459976 629784316 /nfs/dbraw/zinc/78/43/16/629784316.db2.gz ZDCUZRXPYXQRSI-UHFFFAOYSA-N 0 1 296.418 3.016 20 10 CGCDMN CC(F)(F)CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836203 630599799 /nfs/dbraw/zinc/59/97/99/630599799.db2.gz RJMRBNMNZDKKBA-UHFFFAOYSA-N 0 1 298.116 3.361 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1[O-] ZINC000808709818 630668254 /nfs/dbraw/zinc/66/82/54/630668254.db2.gz ZQXLMILUFSJEQG-RAIGVLPGSA-N 0 1 283.799 3.308 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810227977 630856943 /nfs/dbraw/zinc/85/69/43/630856943.db2.gz OILGDBNMMWRMFF-PWSUYJOCSA-N 0 1 289.297 3.241 20 10 CGCDMN C/C=C/C=C\C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683716 631452328 /nfs/dbraw/zinc/45/23/28/631452328.db2.gz AMGGBWMZXWVKOL-IAROGAJJSA-N 0 1 286.158 3.448 20 10 CGCDMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(N(C)C)c(C)c1 ZINC000815017118 631703597 /nfs/dbraw/zinc/70/35/97/631703597.db2.gz GJZCJFVYBDHYGL-GOEBONIOSA-N 0 1 276.424 3.060 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000816484838 631990095 /nfs/dbraw/zinc/99/00/95/631990095.db2.gz QCOXLFYMWDUDBS-SNVBAGLBSA-N 0 1 299.773 3.186 20 10 CGCDMN CCCCC[N@@H+](CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000816484204 631990276 /nfs/dbraw/zinc/99/02/76/631990276.db2.gz TWQOVGQYOBCUPQ-UHFFFAOYSA-N 0 1 289.778 3.169 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000816516419 632002203 /nfs/dbraw/zinc/00/22/03/632002203.db2.gz FHGAGTGPJIIQAH-GHMZBOCLSA-N 0 1 299.773 3.043 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H](CO)C(C)(C)C ZINC000816518863 632002232 /nfs/dbraw/zinc/00/22/32/632002232.db2.gz PRXZSIWBFXMTLE-CYBMUJFWSA-N 0 1 289.778 3.024 20 10 CGCDMN CO[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])C(F)(F)F ZINC000816549516 632008571 /nfs/dbraw/zinc/00/85/71/632008571.db2.gz QGSHPKGQGCXQPF-CYBMUJFWSA-N 0 1 299.292 3.212 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CN1C1CC1 ZINC000816556641 632011349 /nfs/dbraw/zinc/01/13/49/632011349.db2.gz PVTKHVWKRKBFDU-BBRMVZONSA-N 0 1 296.414 3.260 20 10 CGCDMN COC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCC1 ZINC000816566205 632014819 /nfs/dbraw/zinc/01/48/19/632014819.db2.gz OEZLFAVFUWULOP-UHFFFAOYSA-N 0 1 271.360 3.204 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000816569563 632016119 /nfs/dbraw/zinc/01/61/19/632016119.db2.gz PIMFQLDQPWLFFW-LBPRGKRZSA-N 0 1 295.745 3.245 20 10 CGCDMN CO[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1C ZINC000816586420 632018248 /nfs/dbraw/zinc/01/82/48/632018248.db2.gz HMFZYTGAHDSWCQ-CXAGYDPISA-N 0 1 285.387 3.402 20 10 CGCDMN CO[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@H]1C ZINC000816586420 632018255 /nfs/dbraw/zinc/01/82/55/632018255.db2.gz HMFZYTGAHDSWCQ-CXAGYDPISA-N 0 1 285.387 3.402 20 10 CGCDMN CO[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000816651079 632037773 /nfs/dbraw/zinc/03/77/73/632037773.db2.gz RVQZFWABTHIWJK-MRXNPFEDSA-N 0 1 271.360 3.060 20 10 CGCDMN C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816660520 632038639 /nfs/dbraw/zinc/03/86/39/632038639.db2.gz HJIDZAKLYHEUHC-ACJLOTCBSA-N 0 1 285.387 3.186 20 10 CGCDMN CCC[C@@H](CCO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000866414548 633127683 /nfs/dbraw/zinc/12/76/83/633127683.db2.gz IAIVSUUHLAPAGE-PWSUYJOCSA-N 0 1 271.788 3.247 20 10 CGCDMN C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc2ccccc2c1[O-] ZINC000866443147 633133835 /nfs/dbraw/zinc/13/38/35/633133835.db2.gz WRBWTSNWWVIJHE-YGRLFVJLSA-N 0 1 295.329 3.212 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC2(CC2)C1 ZINC000824533860 633255806 /nfs/dbraw/zinc/25/58/06/633255806.db2.gz QWKGZBDYOUQQGB-UHFFFAOYSA-N 0 1 258.148 3.295 20 10 CGCDMN Cc1ccc(CN2CCO[C@H](c3ccccc3)C2)c(O)c1 ZINC000876562412 634858707 /nfs/dbraw/zinc/85/87/07/634858707.db2.gz QCIBFGAKQOBRJD-SFHVURJKSA-N 0 1 283.371 3.274 20 10 CGCDMN C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876572077 634860358 /nfs/dbraw/zinc/86/03/58/634860358.db2.gz IPDLXQAYSBPAEY-VIFPVBQESA-N 0 1 267.275 3.456 20 10 CGCDMN Cc1cc(O)c(C[N@@H+](C)CC2CCOCC2)cc1Cl ZINC000824778848 633288013 /nfs/dbraw/zinc/28/80/13/633288013.db2.gz UTDYGAGINKCHQS-UHFFFAOYSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CC2CCOCC2)cc1Cl ZINC000824778848 633288015 /nfs/dbraw/zinc/28/80/15/633288015.db2.gz UTDYGAGINKCHQS-UHFFFAOYSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CC2CCOCC2)cc1Cl ZINC000824778848 633288021 /nfs/dbraw/zinc/28/80/21/633288021.db2.gz UTDYGAGINKCHQS-UHFFFAOYSA-N 0 1 283.799 3.212 20 10 CGCDMN COC(C)(C)C[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824928733 633306668 /nfs/dbraw/zinc/30/66/68/633306668.db2.gz YUDKHEUKAXTKJZ-UHFFFAOYSA-N 0 1 271.788 3.211 20 10 CGCDMN COC(C)(C)C[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824928733 633306672 /nfs/dbraw/zinc/30/66/72/633306672.db2.gz YUDKHEUKAXTKJZ-UHFFFAOYSA-N 0 1 271.788 3.211 20 10 CGCDMN CCn1ccnc1[C@@H](C)NCc1cc(Cl)ccc1O ZINC000825005707 633316903 /nfs/dbraw/zinc/31/69/03/633316903.db2.gz QDMGOIPFKQLDAE-SNVBAGLBSA-N 0 1 279.771 3.113 20 10 CGCDMN Cc1cc(O)c(CN[C@H]2C[C@H](C)n3ccnc32)cc1C ZINC000825017394 633318697 /nfs/dbraw/zinc/31/86/97/633318697.db2.gz QDKFIGUZGROIOY-JSGCOSHPSA-N 0 1 271.364 3.001 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCOC(C)C)cc1Cl ZINC000825050885 633322681 /nfs/dbraw/zinc/32/26/81/633322681.db2.gz WKMNLYKUAQBVCY-UHFFFAOYSA-N 0 1 271.788 3.259 20 10 CGCDMN [O-]c1c(C[NH2+]CCC[C@@H]2CCOC2)ccc2ccccc21 ZINC000825145129 633332443 /nfs/dbraw/zinc/33/24/43/633332443.db2.gz VSPZATIVQKPCIT-CQSZACIVSA-N 0 1 285.387 3.452 20 10 CGCDMN COc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])ccn1 ZINC000825241317 633338828 /nfs/dbraw/zinc/33/88/28/633338828.db2.gz QLNRLLZPLUKBPM-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@]2(C)CCO[C@@H]2C)cc1Cl ZINC000825494399 633357276 /nfs/dbraw/zinc/35/72/76/633357276.db2.gz KZGYYBYKCJZOMT-QMTHXVAHSA-N 0 1 269.772 3.011 20 10 CGCDMN COCC(C)(C)[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825986750 633394692 /nfs/dbraw/zinc/39/46/92/633394692.db2.gz OOGKUWOWJFPDIT-UHFFFAOYSA-N 0 1 271.788 3.211 20 10 CGCDMN COCC(C)(C)[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825986750 633394696 /nfs/dbraw/zinc/39/46/96/633394696.db2.gz OOGKUWOWJFPDIT-UHFFFAOYSA-N 0 1 271.788 3.211 20 10 CGCDMN COC1([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])CCC1 ZINC000826123660 633406478 /nfs/dbraw/zinc/40/64/78/633406478.db2.gz RTVWYDQXBBPRAX-LLVKDONJSA-N 0 1 283.799 3.401 20 10 CGCDMN CC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC000826130523 633407229 /nfs/dbraw/zinc/40/72/29/633407229.db2.gz JDZDNNDCNUAZTC-STQMWFEESA-N 0 1 283.799 3.401 20 10 CGCDMN CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC000826130520 633407525 /nfs/dbraw/zinc/40/75/25/633407525.db2.gz JDZDNNDCNUAZTC-CHWSQXEVSA-N 0 1 283.799 3.401 20 10 CGCDMN [O-]c1c(C[NH2+]CC2SCCS2)ccc2ccccc21 ZINC000827614169 633503801 /nfs/dbraw/zinc/50/38/01/633503801.db2.gz RBUJTDQVWZCEQX-UHFFFAOYSA-N 0 1 291.441 3.441 20 10 CGCDMN CC1(F)CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000872691146 634187896 /nfs/dbraw/zinc/18/78/96/634187896.db2.gz ZSEBLMBJOQHPNF-UHFFFAOYSA-N 0 1 274.339 3.264 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873155891 634264343 /nfs/dbraw/zinc/26/43/43/634264343.db2.gz HYWGYXGAYZLECB-ZIBATOQPSA-N 0 1 281.783 3.093 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000834895648 634272084 /nfs/dbraw/zinc/27/20/84/634272084.db2.gz CLNORQDDHRUORB-WDEREUQCSA-N 0 1 293.798 3.061 20 10 CGCDMN Cc1cccc(O)c1CNCc1ccn(C2CCCC2)n1 ZINC000877100341 634984856 /nfs/dbraw/zinc/98/48/56/634984856.db2.gz SDRKNVHUZDROIG-UHFFFAOYSA-N 0 1 285.391 3.302 20 10 CGCDMN C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877171050 635007302 /nfs/dbraw/zinc/00/73/02/635007302.db2.gz XSYKDLKPICEUMN-SNVBAGLBSA-N 0 1 278.302 3.258 20 10 CGCDMN C[C@H](NCc1ccc(Cl)nn1)c1ccc(N(C)C)cc1 ZINC000877416256 635037850 /nfs/dbraw/zinc/03/78/50/635037850.db2.gz LMWMPJDWDNLHOJ-NSHDSACASA-N 0 1 290.798 3.047 20 10 CGCDMN C[C@@H](C1CC1)n1cc(NCc2ccc(F)c(F)c2O)cn1 ZINC000877426706 635039362 /nfs/dbraw/zinc/03/93/62/635039362.db2.gz QFAAWIQOGDMEGU-VIFPVBQESA-N 0 1 293.317 3.450 20 10 CGCDMN CO[C@]1(C)CCC[N@@H+](Cc2c(C)cccc2O)CC1 ZINC000877491292 635058514 /nfs/dbraw/zinc/05/85/14/635058514.db2.gz IFTKTKPVTMTAKC-MRXNPFEDSA-N 0 1 263.381 3.092 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)c2c1c(F)ccc2[O-] ZINC000840894980 635077974 /nfs/dbraw/zinc/07/79/74/635077974.db2.gz GPYDQUXRCPYGLQ-BYNQJWBRSA-N 0 1 293.382 3.220 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCSC2)c(Cl)c1 ZINC000840911277 635081679 /nfs/dbraw/zinc/08/16/79/635081679.db2.gz ZWMBAQSILQQMAT-SNVBAGLBSA-N 0 1 271.813 3.291 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCSC2)c(Cl)c1 ZINC000840911277 635081681 /nfs/dbraw/zinc/08/16/81/635081681.db2.gz ZWMBAQSILQQMAT-SNVBAGLBSA-N 0 1 271.813 3.291 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c(Cl)c1 ZINC000840937931 635085672 /nfs/dbraw/zinc/08/56/72/635085672.db2.gz AMHVWTCJYTZQAD-HAQNSBGRSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c(Cl)c1 ZINC000840937931 635085677 /nfs/dbraw/zinc/08/56/77/635085677.db2.gz AMHVWTCJYTZQAD-HAQNSBGRSA-N 0 1 283.799 3.089 20 10 CGCDMN CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840938749 635086567 /nfs/dbraw/zinc/08/65/67/635086567.db2.gz GMNLJQNOARVHML-WDEREUQCSA-N 0 1 299.798 3.031 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(Cl)c1 ZINC000840943398 635088174 /nfs/dbraw/zinc/08/81/74/635088174.db2.gz QBDVWTZIEBZTRH-MRXNPFEDSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(C2)CCCOC3)c(Cl)c1 ZINC000840943398 635088177 /nfs/dbraw/zinc/08/81/77/635088177.db2.gz QBDVWTZIEBZTRH-MRXNPFEDSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]2C2CC2)c(Cl)c1 ZINC000840950789 635091461 /nfs/dbraw/zinc/09/14/61/635091461.db2.gz NTZQIYQYXMLGAT-CYBMUJFWSA-N 0 1 251.757 3.338 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]2C2CC2)c(Cl)c1 ZINC000840950789 635091463 /nfs/dbraw/zinc/09/14/63/635091463.db2.gz NTZQIYQYXMLGAT-CYBMUJFWSA-N 0 1 251.757 3.338 20 10 CGCDMN Cc1cc(O)c(CN2CC3(CC(F)C3)C2)c(Cl)c1 ZINC000840952529 635092062 /nfs/dbraw/zinc/09/20/62/635092062.db2.gz DAIMJFMGNJRWEO-UHFFFAOYSA-N 0 1 269.747 3.288 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CS[C@@H](C)C2)c(Cl)c1 ZINC000840959433 635094380 /nfs/dbraw/zinc/09/43/80/635094380.db2.gz VMSGPVXXRPDPMO-UWVGGRQHSA-N 0 1 271.813 3.338 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841745047 635222440 /nfs/dbraw/zinc/22/24/40/635222440.db2.gz UBJCUVXMFLWCRW-BDJLRTHQSA-N 0 1 291.778 3.430 20 10 CGCDMN C[C@H]([NH2+]CCN1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841745625 635222507 /nfs/dbraw/zinc/22/25/07/635222507.db2.gz RKYKXXWFYOTVFX-LBPRGKRZSA-N 0 1 282.815 3.182 20 10 CGCDMN C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(Cl)cc1[O-] ZINC000841753850 635227247 /nfs/dbraw/zinc/22/72/47/635227247.db2.gz XHZBDSZUUMRLAZ-SSDOTTSWSA-N 0 1 261.699 3.494 20 10 CGCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccn(C)n1 ZINC000841753228 635227510 /nfs/dbraw/zinc/22/75/10/635227510.db2.gz FHJQYYDRELSEAI-UWVGGRQHSA-N 0 1 279.771 3.191 20 10 CGCDMN CO[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(C)C ZINC000841754169 635228453 /nfs/dbraw/zinc/22/84/53/635228453.db2.gz IELRJGGLJOSGGH-IINYFYTJSA-N 0 1 271.788 3.367 20 10 CGCDMN C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841757330 635231145 /nfs/dbraw/zinc/23/11/45/635231145.db2.gz DOHISQNORKATFG-CMPLNLGQSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@H]([NH2+]CC1(O)CCCC1)c1ccc(Cl)cc1[O-] ZINC000841763355 635233182 /nfs/dbraw/zinc/23/31/82/635233182.db2.gz MVUAEYJWHNEHNB-JTQLQIEISA-N 0 1 269.772 3.001 20 10 CGCDMN C[C@H]([NH2+]CCOc1cccnc1)c1ccc(Cl)cc1[O-] ZINC000841764555 635234570 /nfs/dbraw/zinc/23/45/70/635234570.db2.gz QGGZTIIKTZNBTB-NSHDSACASA-N 0 1 292.766 3.170 20 10 CGCDMN CO[C@H](C[NH2+]Cc1c([O-])cccc1Cl)CC(C)C ZINC000841888687 635247982 /nfs/dbraw/zinc/24/79/82/635247982.db2.gz NGJSFQSZVJHKNA-NSHDSACASA-N 0 1 271.788 3.196 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@@H](OC)C1 ZINC000878152803 635381408 /nfs/dbraw/zinc/38/14/08/635381408.db2.gz YSTIKQBNMKDSGC-OTVXOJSOSA-N 0 1 263.381 3.029 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@@H](OC)C1 ZINC000878152803 635381415 /nfs/dbraw/zinc/38/14/15/635381415.db2.gz YSTIKQBNMKDSGC-OTVXOJSOSA-N 0 1 263.381 3.029 20 10 CGCDMN CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000842917420 635512396 /nfs/dbraw/zinc/51/23/96/635512396.db2.gz ORGQGZRRQDWBAT-DMDPSCGWSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)[C@H](C)CO1 ZINC000846044459 636137975 /nfs/dbraw/zinc/13/79/75/636137975.db2.gz QZOHCAZQZBXFLL-NXEZZACHSA-N 0 1 287.762 3.184 20 10 CGCDMN CC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@H](C)CO1 ZINC000846045418 636138107 /nfs/dbraw/zinc/13/81/07/636138107.db2.gz XCSUYSBLXUCUDA-SKDRFNHKSA-N 0 1 287.762 3.184 20 10 CGCDMN CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cc(Cl)ccc3[O-])C[C@H]2C1 ZINC000846054706 636138875 /nfs/dbraw/zinc/13/88/75/636138875.db2.gz DWBABWOQTLFTCX-DAGZJUSDSA-N 0 1 295.810 3.339 20 10 CGCDMN CCOc1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(O)c1 ZINC000846106399 636144126 /nfs/dbraw/zinc/14/41/26/636144126.db2.gz AXSWOWJIJQVTGV-HNNXBMFYSA-N 0 1 297.345 3.412 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(Cl)c1 ZINC000846114331 636146113 /nfs/dbraw/zinc/14/61/13/636146113.db2.gz UIADVQWQIUUQCG-AOOOYVTPSA-N 0 1 273.710 3.051 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(Cl)c1 ZINC000846114331 636146115 /nfs/dbraw/zinc/14/61/15/636146115.db2.gz UIADVQWQIUUQCG-AOOOYVTPSA-N 0 1 273.710 3.051 20 10 CGCDMN Cc1cc(O)c(CN2C[C@H]3[C@@H](C2)C3(F)F)c(Cl)c1 ZINC000846114331 636146116 /nfs/dbraw/zinc/14/61/16/636146116.db2.gz UIADVQWQIUUQCG-AOOOYVTPSA-N 0 1 273.710 3.051 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H](C)Cc2ccccn2)c(Cl)c1 ZINC000848566789 636609306 /nfs/dbraw/zinc/60/93/06/636609306.db2.gz IXDHQZGACHCYPQ-GFCCVEGCSA-N 0 1 290.794 3.470 20 10 CGCDMN CCc1cccc(CNCc2cn3c(cccc3C)n2)c1O ZINC000848894976 636678960 /nfs/dbraw/zinc/67/89/60/636678960.db2.gz JACZCBQWBJBBOE-UHFFFAOYSA-N 0 1 295.386 3.201 20 10 CGCDMN CCc1cccc(CN[C@H](COC)c2ccc(C)o2)c1O ZINC000848898447 636680831 /nfs/dbraw/zinc/68/08/31/636680831.db2.gz VETZLAQYIVYCKL-OAHLLOKOSA-N 0 1 289.375 3.333 20 10 CGCDMN CCCCCCNC(=[NH2+])NCc1cc(Cl)ccc1[O-] ZINC000849048564 636731594 /nfs/dbraw/zinc/73/15/94/636731594.db2.gz JKDJPLAVFPYOMJ-UHFFFAOYSA-N 0 1 283.803 3.240 20 10 CGCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccoc1 ZINC000134070092 636996691 /nfs/dbraw/zinc/99/66/91/636996691.db2.gz CKXWQWGFOCDYLK-NSHDSACASA-N 0 1 262.328 3.336 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccccc1O ZINC000134605123 637030938 /nfs/dbraw/zinc/03/09/38/637030938.db2.gz XSRXODFUZFCLOE-UHFFFAOYSA-N 0 1 263.724 3.041 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(C)C)C2)c1O ZINC000134981199 637060837 /nfs/dbraw/zinc/06/08/37/637060837.db2.gz NIFMIFGHMITVDA-LBPRGKRZSA-N 0 1 279.355 3.212 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(C)C)C2)c1[O-] ZINC000134981199 637060843 /nfs/dbraw/zinc/06/08/43/637060843.db2.gz NIFMIFGHMITVDA-LBPRGKRZSA-N 0 1 279.355 3.212 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(C)C)C2)c1[O-] ZINC000134981199 637060846 /nfs/dbraw/zinc/06/08/46/637060846.db2.gz NIFMIFGHMITVDA-LBPRGKRZSA-N 0 1 279.355 3.212 20 10 CGCDMN C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000850483409 637086826 /nfs/dbraw/zinc/08/68/26/637086826.db2.gz XEUWLKTWAKGUFH-ONGXEEELSA-N 0 1 269.772 3.264 20 10 CGCDMN C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(Cl)cc1[O-] ZINC000850521228 637100442 /nfs/dbraw/zinc/10/04/42/637100442.db2.gz ROTDINCJCIMTQW-PELKAZGASA-N 0 1 291.725 3.120 20 10 CGCDMN C[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1nccn1C ZINC000850573088 637129975 /nfs/dbraw/zinc/12/99/75/637129975.db2.gz UDPBIOXJEXUZQB-STQMWFEESA-N 0 1 299.418 3.416 20 10 CGCDMN CN1CCCc2cc(CN[C@@H]3CCc4cccnc43)ccc21 ZINC000886519317 637551907 /nfs/dbraw/zinc/55/19/07/637551907.db2.gz SILKUAJTYVWHJT-QGZVFWFLSA-N 0 1 293.414 3.241 20 10 CGCDMN CCn1nccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000853239269 637791630 /nfs/dbraw/zinc/79/16/30/637791630.db2.gz DCRTWIIYZMYFPZ-JTQLQIEISA-N 0 1 279.771 3.113 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCOC1CCCC1 ZINC000111607866 637929429 /nfs/dbraw/zinc/92/94/29/637929429.db2.gz NTABOWZUNLNFAT-UHFFFAOYSA-N 0 1 269.772 3.094 20 10 CGCDMN CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000858484840 638736716 /nfs/dbraw/zinc/73/67/16/638736716.db2.gz CPJKWDXRXHISHQ-YPMHNXCESA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(Cl)ccc1[O-] ZINC000926935839 638827426 /nfs/dbraw/zinc/82/74/26/638827426.db2.gz HOOYAYPAVCFXPU-CZXHOFHRSA-N 0 1 293.794 3.287 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOc2ccccc2C1 ZINC000158029865 639995911 /nfs/dbraw/zinc/99/59/11/639995911.db2.gz UNVMOSHKBCQKMT-UHFFFAOYSA-N 0 1 289.762 3.440 20 10 CGCDMN CC(C)CC[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000077456241 640240788 /nfs/dbraw/zinc/24/07/88/640240788.db2.gz XVOYYVXULVFEON-HNNXBMFYSA-N 0 1 285.815 3.322 20 10 CGCDMN C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000304106923 640855968 /nfs/dbraw/zinc/85/59/68/640855968.db2.gz KGUPIZJCKOJSBR-INIZCTEOSA-N 0 1 291.778 3.043 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH+]2[C@@H](C)CCC[C@@H]2C)c1[O-] ZINC000037322757 798866501 /nfs/dbraw/zinc/86/65/01/798866501.db2.gz VEUUNBXNYXQNQT-QWRGUYRKSA-N 0 1 279.355 3.497 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)[C@H](C)C1 ZINC000305919625 799212971 /nfs/dbraw/zinc/21/29/71/799212971.db2.gz GWLMSQZFKRWJNH-GHMZBOCLSA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)[C@H](C)C1 ZINC000305919625 799212978 /nfs/dbraw/zinc/21/29/78/799212978.db2.gz GWLMSQZFKRWJNH-GHMZBOCLSA-N 0 1 269.772 3.045 20 10 CGCDMN CC(C)[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CCCO1 ZINC000381146706 799373536 /nfs/dbraw/zinc/37/35/36/799373536.db2.gz RORKTNLUNAFVLK-OAHLLOKOSA-N 0 1 283.799 3.293 20 10 CGCDMN CC(C)[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CCCO1 ZINC000381146706 799373543 /nfs/dbraw/zinc/37/35/43/799373543.db2.gz RORKTNLUNAFVLK-OAHLLOKOSA-N 0 1 283.799 3.293 20 10 CGCDMN C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc2ccccc2c1[O-] ZINC000386955993 799442197 /nfs/dbraw/zinc/44/21/97/799442197.db2.gz OFYZTMZHZLDEDC-KPZWWZAWSA-N 0 1 285.387 3.357 20 10 CGCDMN Oc1c(Br)cccc1CNC1(C(F)F)CC1 ZINC000390748394 799474038 /nfs/dbraw/zinc/47/40/38/799474038.db2.gz BAXRUQDAUHWBID-UHFFFAOYSA-N 0 1 292.123 3.042 20 10 CGCDMN CCc1nc(CN[C@@H]2CCc3cccc(O)c32)cs1 ZINC000393229784 799484897 /nfs/dbraw/zinc/48/48/97/799484897.db2.gz GIIDESNUSDWJTF-GFCCVEGCSA-N 0 1 274.389 3.188 20 10 CGCDMN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCC1(F)F ZINC000398174291 799527795 /nfs/dbraw/zinc/52/77/95/799527795.db2.gz VKTUEILQEBEXSQ-JTQLQIEISA-N 0 1 261.699 3.323 20 10 CGCDMN CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000690344507 799775485 /nfs/dbraw/zinc/77/54/85/799775485.db2.gz VZAGZINJNJMEPT-ZDUSSCGKSA-N 0 1 282.815 3.008 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(C2CCC2)CC1 ZINC000697426149 799845547 /nfs/dbraw/zinc/84/55/47/799845547.db2.gz JHHZKYWWUMTGMU-UHFFFAOYSA-N 0 1 251.757 3.468 20 10 CGCDMN C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])CC(F)F ZINC000697750476 799848698 /nfs/dbraw/zinc/84/86/98/799848698.db2.gz CFKFBWGSIAFVSQ-BDAKNGLRSA-N 0 1 261.287 3.473 20 10 CGCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C1CC1 ZINC000701014201 799883426 /nfs/dbraw/zinc/88/34/26/799883426.db2.gz MDGBMBPEZOASTJ-MRVPVSSYSA-N 0 1 270.170 3.043 20 10 CGCDMN CC1(C)CC([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706809557 799967074 /nfs/dbraw/zinc/96/70/74/799967074.db2.gz FEEFTFLSBQSRAT-UHFFFAOYSA-N 0 1 284.197 3.433 20 10 CGCDMN C[C@H]1CCC[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000706857802 799969259 /nfs/dbraw/zinc/96/92/59/799969259.db2.gz FXUQOZHMQGOIIB-CABZTGNLSA-N 0 1 284.197 3.433 20 10 CGCDMN C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C1(C)CC1 ZINC000706955663 799971890 /nfs/dbraw/zinc/97/18/90/799971890.db2.gz IBOBOJHMXYEGHS-SECBINFHSA-N 0 1 284.197 3.433 20 10 CGCDMN Cc1cccc(CNCc2ncc(Cl)s2)c1O ZINC000719403436 800238501 /nfs/dbraw/zinc/23/85/01/800238501.db2.gz UDQYOHYZCDCQSW-UHFFFAOYSA-N 0 1 268.769 3.100 20 10 CGCDMN Cc1ccc(O)c([C@H](C)NCc2nc3c(s2)CCC3)c1 ZINC000719571599 800243594 /nfs/dbraw/zinc/24/35/94/800243594.db2.gz TTWPGBRDLCLAGW-NSHDSACASA-N 0 1 288.416 3.497 20 10 CGCDMN Cc1csc(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001137159637 803691389 /nfs/dbraw/zinc/69/13/89/803691389.db2.gz HEHJMNZZDBOQAB-UHFFFAOYSA-N 0 1 259.374 3.320 20 10 CGCDMN CCN(Cc1nc2ccccn2c1C)Cc1ccccc1O ZINC001137274076 803706676 /nfs/dbraw/zinc/70/66/76/803706676.db2.gz FNGOACVRPYREAW-UHFFFAOYSA-N 0 1 295.386 3.370 20 10 CGCDMN COc1ccc2c(c1)C[N@H+](Cc1c([O-])cccc1F)CC2 ZINC001137832075 803777429 /nfs/dbraw/zinc/77/74/29/803777429.db2.gz ZVUXHRCTKMPLGJ-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN COc1cccc(C[N@@H+](C)Cc2c([O-])cccc2F)c1 ZINC001137837615 803780383 /nfs/dbraw/zinc/78/03/83/803780383.db2.gz NUORWULMMFMPDA-UHFFFAOYSA-N 0 1 275.323 3.172 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C[C@@H]1C ZINC001138122582 803862331 /nfs/dbraw/zinc/86/23/31/803862331.db2.gz ONJWDXDVPDNHMH-NEPJUHHUSA-N 0 1 251.345 3.399 20 10 CGCDMN F[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]2C[C@@H]21 ZINC001138215594 803873834 /nfs/dbraw/zinc/87/38/34/803873834.db2.gz KOUWWOKVBLKZEN-SZMVWBNQSA-N 0 1 288.410 3.467 20 10 CGCDMN Cc1cc(CN2CC[C@](C)(F)[C@H](F)C2)ccc1N(C)C ZINC001139669614 804245141 /nfs/dbraw/zinc/24/51/41/804245141.db2.gz DLUNKFJSEUKREA-CVEARBPZSA-N 0 1 282.378 3.333 20 10 CGCDMN Cc1cc(CN2CCc3occc3C2)ccc1N(C)C ZINC001139674414 804248070 /nfs/dbraw/zinc/24/80/70/804248070.db2.gz YVLSDWNXLFUDMY-UHFFFAOYSA-N 0 1 270.376 3.212 20 10 CGCDMN CCC[N@H+](Cc1c(F)ccc(F)c1[O-])CC1CC1 ZINC001139679201 804249826 /nfs/dbraw/zinc/24/98/26/804249826.db2.gz MEEFTLCPVPWXDI-UHFFFAOYSA-N 0 1 255.308 3.292 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2[O-])[C@H]1C ZINC001139682824 804252255 /nfs/dbraw/zinc/25/22/55/804252255.db2.gz DBVCMMRZNVEJME-UWVGGRQHSA-N 0 1 255.308 3.291 20 10 CGCDMN CC[C@H]1CCCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139686068 804253660 /nfs/dbraw/zinc/25/36/60/804253660.db2.gz METZRMKWTYDQAF-JTQLQIEISA-N 0 1 255.308 3.435 20 10 CGCDMN CC[N@H+](Cc1ccccn1)Cc1c(F)ccc(F)c1[O-] ZINC001139686429 804254016 /nfs/dbraw/zinc/25/40/16/804254016.db2.gz ZCQNESNASZBCIK-UHFFFAOYSA-N 0 1 278.302 3.088 20 10 CGCDMN CC[N@@H+](Cc1ccccn1)Cc1c(F)ccc(F)c1[O-] ZINC001139686429 804254023 /nfs/dbraw/zinc/25/40/23/804254023.db2.gz ZCQNESNASZBCIK-UHFFFAOYSA-N 0 1 278.302 3.088 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CC(c2cccnc2)C1 ZINC001140341464 804420899 /nfs/dbraw/zinc/42/08/99/804420899.db2.gz PIWCMGOWJGUQAL-UHFFFAOYSA-N 0 1 274.751 3.040 20 10 CGCDMN OCC[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1O ZINC001140461777 804442057 /nfs/dbraw/zinc/44/20/57/804442057.db2.gz UAEURKUSHOKBPF-UHFFFAOYSA-N 0 1 291.778 3.040 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+](CCO)Cc1ccccc1 ZINC001140461777 804442061 /nfs/dbraw/zinc/44/20/61/804442061.db2.gz UAEURKUSHOKBPF-UHFFFAOYSA-N 0 1 291.778 3.040 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+](CCO)Cc1ccccc1 ZINC001140461777 804442071 /nfs/dbraw/zinc/44/20/71/804442071.db2.gz UAEURKUSHOKBPF-UHFFFAOYSA-N 0 1 291.778 3.040 20 10 CGCDMN C[C@@]1(CF)CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140463280 804442347 /nfs/dbraw/zinc/44/23/47/804442347.db2.gz YNTNTRCCYLDRGW-ZDUSSCGKSA-N 0 1 257.736 3.227 20 10 CGCDMN C[C@@]1(CF)CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140463280 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ZINC001140948687 804555598 /nfs/dbraw/zinc/55/55/98/804555598.db2.gz VSAHRZPKCDXNCT-CABCVRRESA-N 0 1 273.376 3.034 20 10 CGCDMN CC(C)(C)c1cccc(CN2C[C@H]3CC[C@@H](C2)O3)c1O ZINC001143104561 804802485 /nfs/dbraw/zinc/80/24/85/804802485.db2.gz VHOCUWBZWAIFLZ-OKILXGFUSA-N 0 1 275.392 3.053 20 10 CGCDMN Oc1cc(-c2nnc(C3CCCC3)o2)cc(Cl)c1O ZINC001257592714 807201850 /nfs/dbraw/zinc/20/18/50/807201850.db2.gz FEWUEAZFTPRAKR-UHFFFAOYSA-N 0 1 280.711 3.459 20 10 CGCDMN CC(C)[C@H](O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC001261637366 807771505 /nfs/dbraw/zinc/77/15/05/807771505.db2.gz QMEQWHFCWIJVDY-QGZVFWFLSA-N 0 1 277.408 3.154 20 10 CGCDMN Cc1nccc(NCc2cc3ccccc3cc2O)c1F ZINC001171406754 808048801 /nfs/dbraw/zinc/04/88/01/808048801.db2.gz DQXYHEWAONAJBI-UHFFFAOYSA-N 0 1 282.318 3.422 20 10 CGCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CC(C)(C)C1 ZINC001182251154 810100013 /nfs/dbraw/zinc/10/00/13/810100013.db2.gz MNIYXLOSUNHOQA-UHFFFAOYSA-N 0 1 255.308 3.291 20 10 CGCDMN CCCC[C@](C)(CO)[NH2+]Cc1ccc(Cl)cc1[O-] 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JFEUGGFSRWZVPA-SKDRFNHKSA-N 0 1 287.762 3.184 20 10 CGCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001237805950 819847135 /nfs/dbraw/zinc/84/71/35/819847135.db2.gz POWRHUWVUZZQSF-OAHLLOKOSA-N 0 1 299.773 3.187 20 10 CGCDMN COC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237809036 819847738 /nfs/dbraw/zinc/84/77/38/819847738.db2.gz YQHWPRCHDAFQFG-GFCCVEGCSA-N 0 1 287.762 3.186 20 10 CGCDMN CCC[N@@H+](CCOC)Cc1cc(F)cc(Cl)c1[O-] ZINC001237807493 819847842 /nfs/dbraw/zinc/84/78/42/819847842.db2.gz KJGUHSJDSOUHRW-UHFFFAOYSA-N 0 1 275.751 3.043 20 10 CGCDMN C[N@@H+](CCC1CC1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237806834 819848211 /nfs/dbraw/zinc/84/82/11/819848211.db2.gz WDEBQFWVSQLKHN-UHFFFAOYSA-N 0 1 257.736 3.417 20 10 CGCDMN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C)c1O ZINC001238060609 819920897 /nfs/dbraw/zinc/92/08/97/819920897.db2.gz CGPCWSOKIRRABV-AWEZNQCLSA-N 0 1 281.371 3.229 20 10 CGCDMN Cc1nc2c[nH]cc(-c3cccc4c3ccn4C)c-2n1 ZINC001241823680 822165361 /nfs/dbraw/zinc/16/53/61/822165361.db2.gz BNDFAOYZRCUNTF-UHFFFAOYSA-N 0 1 262.316 3.425 20 10 CGCDMN Cc1nc2c(cncc2-c2cccc3c2ccn3C)[nH]1 ZINC001241823680 822165365 /nfs/dbraw/zinc/16/53/65/822165365.db2.gz BNDFAOYZRCUNTF-UHFFFAOYSA-N 0 1 262.316 3.425 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])CC1(C)C ZINC001462254765 937628003 /nfs/dbraw/zinc/62/80/03/937628003.db2.gz JLJCKFVGXZBXOA-CQSZACIVSA-N 0 1 283.799 3.293 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])CC1(C)C ZINC001462254765 937628006 /nfs/dbraw/zinc/62/80/06/937628006.db2.gz JLJCKFVGXZBXOA-CQSZACIVSA-N 0 1 283.799 3.293 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC001308600176 933139949 /nfs/dbraw/zinc/13/99/49/933139949.db2.gz XWGCIPHOYLWPIB-ZDUSSCGKSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC001308600176 933139952 /nfs/dbraw/zinc/13/99/52/933139952.db2.gz XWGCIPHOYLWPIB-ZDUSSCGKSA-N 0 1 295.810 3.294 20 10 CGCDMN COc1cc(C)c(C[N@H+](C)[C@H](C)C(C)C)c([O-])c1 ZINC001308613883 933143489 /nfs/dbraw/zinc/14/34/89/933143489.db2.gz KWTWVMFHRZSSNF-GFCCVEGCSA-N 0 1 251.370 3.186 20 10 CGCDMN COc1cc(C)c(C[N@@H+](C)[C@H](C)C(C)C)c([O-])c1 ZINC001308613883 933143491 /nfs/dbraw/zinc/14/34/91/933143491.db2.gz KWTWVMFHRZSSNF-GFCCVEGCSA-N 0 1 251.370 3.186 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC001308961662 933214259 /nfs/dbraw/zinc/21/42/59/933214259.db2.gz ZVPGSXJYHGYCHY-DZGCQCFKSA-N 0 1 281.783 3.093 20 10 CGCDMN C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC(C)(C)O1 ZINC001319706065 933919066 /nfs/dbraw/zinc/91/90/66/933919066.db2.gz TWXWBAICIHAVGN-OAHLLOKOSA-N 0 1 288.435 3.286 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001326976799 935018807 /nfs/dbraw/zinc/01/88/07/935018807.db2.gz IJAQAQBSPISYIA-ZJUUUORDSA-N 0 1 257.736 3.416 20 10 CGCDMN CC[C@](C)(NCc1ccc(N)cc1)c1nccs1 ZINC001336286560 936186067 /nfs/dbraw/zinc/18/60/67/936186067.db2.gz SIZBLQUOKKLUMT-AWEZNQCLSA-N 0 1 261.394 3.140 20 10 CGCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)c1ccc[nH]1 ZINC001474100220 937840170 /nfs/dbraw/zinc/84/01/70/937840170.db2.gz VDOXEKFRLQCNRT-SECBINFHSA-N 0 1 295.180 3.334 20 10 CGCDMN CCO[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC001474608554 937870107 /nfs/dbraw/zinc/87/01/07/937870107.db2.gz GOGXXOKETDCGOJ-UONOGXRCSA-N 0 1 283.799 3.483 20 10 CGCDMN [O-]c1cc(Cl)ccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001560695765 938270812 /nfs/dbraw/zinc/27/08/12/938270812.db2.gz SZGRLKPUGUUWNY-OAHLLOKOSA-N 0 1 294.826 3.106 20 10 CGCDMN CCc1cccc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c1O ZINC001603975391 974466959 /nfs/dbraw/zinc/46/69/59/974466959.db2.gz XBDPQNMQHXYHKF-HNNXBMFYSA-N 0 1 291.391 3.174 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092072383 345830193 /nfs/dbraw/zinc/83/01/93/345830193.db2.gz BMKSKCIMTDKTEQ-NSHDSACASA-N 0 1 291.782 3.148 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092072383 345830197 /nfs/dbraw/zinc/83/01/97/345830197.db2.gz BMKSKCIMTDKTEQ-NSHDSACASA-N 0 1 291.782 3.148 20 10 CGCDMN Oc1ccccc1CN1CCc2cccc(F)c2C1 ZINC000271347340 346411527 /nfs/dbraw/zinc/41/15/27/346411527.db2.gz KNLNMPNTBVQXDR-UHFFFAOYSA-N 0 1 257.308 3.090 20 10 CGCDMN CC[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000310019118 799221637 /nfs/dbraw/zinc/22/16/37/799221637.db2.gz MIDSYXLVDCYSBA-SKDRFNHKSA-N 0 1 284.197 3.433 20 10 CGCDMN C[C@@H]([NH2+]C1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000036319436 369017528 /nfs/dbraw/zinc/01/75/28/369017528.db2.gz JWKXGSKXKIOWIB-GFCCVEGCSA-N 0 1 271.360 3.375 20 10 CGCDMN CCc1nc(C)c(CNCc2c(O)cccc2Cl)o1 ZINC000291752806 372174350 /nfs/dbraw/zinc/17/43/50/372174350.db2.gz LTTGJJQLVPLGFF-UHFFFAOYSA-N 0 1 280.755 3.194 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000294745504 372669715 /nfs/dbraw/zinc/66/97/15/372669715.db2.gz RBJIMLVPYSYPCG-UKRRQHHQSA-N 0 1 299.773 3.328 20 10 CGCDMN COC[C@@H](N[C@@H](C)c1cc(F)ccc1O)c1ccc(C)o1 ZINC000185631120 374702054 /nfs/dbraw/zinc/70/20/54/374702054.db2.gz QLLCSAQJHHLRHF-SMDDNHRTSA-N 0 1 293.338 3.471 20 10 CGCDMN COC[C@H](N[C@H](C)c1cc(F)ccc1O)c1ccc(C)o1 ZINC000185631177 374702316 /nfs/dbraw/zinc/70/23/16/374702316.db2.gz QLLCSAQJHHLRHF-RISCZKNCSA-N 0 1 293.338 3.471 20 10 CGCDMN CCN(CC)c1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000268832806 378125674 /nfs/dbraw/zinc/12/56/74/378125674.db2.gz KXKBWTKZXDBWAH-KRWDZBQOSA-N 0 1 298.434 3.423 20 10 CGCDMN C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000269795163 378267854 /nfs/dbraw/zinc/26/78/54/378267854.db2.gz BFMBOQOFVDHSKY-ZFWWWQNUSA-N 0 1 285.387 3.281 20 10 CGCDMN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000269795163 378267857 /nfs/dbraw/zinc/26/78/57/378267857.db2.gz BFMBOQOFVDHSKY-ZFWWWQNUSA-N 0 1 285.387 3.281 20 10 CGCDMN CC[C@H](NCc1csc(COC)n1)c1ccccc1O ZINC000271663553 378501486 /nfs/dbraw/zinc/50/14/86/378501486.db2.gz DTQSENYMAFANRD-ZDUSSCGKSA-N 0 1 292.404 3.236 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000371859770 379179532 /nfs/dbraw/zinc/17/95/32/379179532.db2.gz YDPQFDSTXWYCDH-OAHLLOKOSA-N 0 1 277.339 3.108 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000371859770 379179539 /nfs/dbraw/zinc/17/95/39/379179539.db2.gz YDPQFDSTXWYCDH-OAHLLOKOSA-N 0 1 277.339 3.108 20 10 CGCDMN C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cc(F)ccc1[O-] ZINC000364151704 382263035 /nfs/dbraw/zinc/26/30/35/382263035.db2.gz UWIZLNMWVAEMGE-JECHBYEQSA-N 0 1 293.382 3.387 20 10 CGCDMN CCc1ccc(CNCc2ccc(N(C)C)c(F)c2)o1 ZINC000131629396 392459202 /nfs/dbraw/zinc/45/92/02/392459202.db2.gz QMNXZCGOTYNHGP-UHFFFAOYSA-N 0 1 276.355 3.337 20 10 CGCDMN CCOc1ccc(O)c(CN(C)Cc2ccco2)c1 ZINC000162176801 261272930 /nfs/dbraw/zinc/27/29/30/261272930.db2.gz YGYIRFKOHHRFGA-UHFFFAOYSA-N 0 1 261.321 3.016 20 10 CGCDMN COCCN(Cc1ccc(C)o1)Cc1cccc(C)c1O ZINC000180498273 261862796 /nfs/dbraw/zinc/86/27/96/261862796.db2.gz NWDKRUNJLKEULS-UHFFFAOYSA-N 0 1 289.375 3.251 20 10 CGCDMN CCC[C@H](CCO)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185605340 262061637 /nfs/dbraw/zinc/06/16/37/262061637.db2.gz LSZWNNAUARPJBX-NWDGAFQWSA-N 0 1 285.815 3.495 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375320199 267847710 /nfs/dbraw/zinc/84/77/10/267847710.db2.gz MUHUCIPWNLEIET-DZGCQCFKSA-N 0 1 281.783 3.189 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375320199 267847712 /nfs/dbraw/zinc/84/77/12/267847712.db2.gz MUHUCIPWNLEIET-DZGCQCFKSA-N 0 1 281.783 3.189 20 10 CGCDMN C[C@@H](NCc1ncccc1N(C)C)c1ccc(N(C)C)cc1 ZINC000289574656 278360104 /nfs/dbraw/zinc/36/01/04/278360104.db2.gz BDRFLNZZAKKZTQ-CQSZACIVSA-N 0 1 298.434 3.064 20 10 CGCDMN COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000180277891 329219441 /nfs/dbraw/zinc/21/94/41/329219441.db2.gz LZHVSMJVZBGJGH-KRWDZBQOSA-N 0 1 298.386 3.441 20 10 CGCDMN C[C@@H]1c2cccn2CCN1Cc1cccc(Cl)c1O ZINC000183512625 329248241 /nfs/dbraw/zinc/24/82/41/329248241.db2.gz DJFPOXGGTYNKEU-LLVKDONJSA-N 0 1 276.767 3.424 20 10 CGCDMN C[C@@H]1c2cccn2CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000183512625 329248243 /nfs/dbraw/zinc/24/82/43/329248243.db2.gz DJFPOXGGTYNKEU-LLVKDONJSA-N 0 1 276.767 3.424 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@@H]1CCCCO1 ZINC000227338550 329272277 /nfs/dbraw/zinc/27/22/77/329272277.db2.gz SZGMVGXBAKSMRL-NSHDSACASA-N 0 1 269.772 3.094 20 10 CGCDMN CCOc1cccc(CN2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000280454389 521340912 /nfs/dbraw/zinc/34/09/12/521340912.db2.gz LOEDBUWLIRJWTA-OAHLLOKOSA-N 0 1 293.407 3.038 20 10 CGCDMN C[C@]1(CCCO)CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000290540266 525241490 /nfs/dbraw/zinc/24/14/90/525241490.db2.gz RGLGWBRKJACPNU-OAHLLOKOSA-N 0 1 283.799 3.173 20 10 CGCDMN C[C@]1(CCCO)CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000290540266 525241496 /nfs/dbraw/zinc/24/14/96/525241496.db2.gz RGLGWBRKJACPNU-OAHLLOKOSA-N 0 1 283.799 3.173 20 10 CGCDMN C[C@H]([NH2+]CC1(N(C)C)CCC1)c1cc(Cl)ccc1[O-] ZINC000275673633 525320684 /nfs/dbraw/zinc/32/06/84/525320684.db2.gz HLTWVOWVCBDYTE-NSHDSACASA-N 0 1 282.815 3.181 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CC=CCC1 ZINC000076771119 526343417 /nfs/dbraw/zinc/34/34/17/526343417.db2.gz LCOJGDXLYFRLFS-LBPRGKRZSA-N 0 1 282.181 3.353 20 10 CGCDMN CC[N@@H+](CC(=O)[O-])Cc1cc2oc3ccccc3c2cc1O ZINC000737076354 572857811 /nfs/dbraw/zinc/85/78/11/572857811.db2.gz YIUNZFUYOZZRIL-UHFFFAOYSA-N 0 1 299.326 3.198 20 10 CGCDMN C[N@H+](CCC1CC1)Cc1c([O-])ccc2ccncc21 ZINC000746626175 572886286 /nfs/dbraw/zinc/88/62/86/572886286.db2.gz BJXVSFXXZQTCLV-UHFFFAOYSA-N 0 1 256.349 3.172 20 10 CGCDMN C[N@@H+](CCC1CC1)Cc1c([O-])ccc2ccncc21 ZINC000746626175 572886289 /nfs/dbraw/zinc/88/62/89/572886289.db2.gz BJXVSFXXZQTCLV-UHFFFAOYSA-N 0 1 256.349 3.172 20 10 CGCDMN C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccncc1 ZINC000749297262 572991795 /nfs/dbraw/zinc/99/17/95/572991795.db2.gz SXWTVGGIEWBDHS-NSHDSACASA-N 0 1 276.767 3.334 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccccn2)c(Cl)c1 ZINC000840872463 618735740 /nfs/dbraw/zinc/73/57/40/618735740.db2.gz LESXXLZPEHCBGM-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN C[N@@H+](Cc1ccco1)Cc1cccc(Br)c1[O-] ZINC000162163840 618741282 /nfs/dbraw/zinc/74/12/82/618741282.db2.gz FCHXYRQNBRIYQD-UHFFFAOYSA-N 0 1 296.164 3.380 20 10 CGCDMN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776220684 619117560 /nfs/dbraw/zinc/11/75/60/619117560.db2.gz YRTLAMYAPHXNGH-YGRLFVJLSA-N 0 1 285.815 3.241 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc2ccccc2c1[O-] ZINC000314594795 619165858 /nfs/dbraw/zinc/16/58/58/619165858.db2.gz CBUHYUXOJBHHIQ-ZFWWWQNUSA-N 0 1 296.414 3.433 20 10 CGCDMN CCOc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)o1 ZINC000894501612 619558263 /nfs/dbraw/zinc/55/82/63/619558263.db2.gz BXVPLZNDNNEXCB-NSHDSACASA-N 0 1 291.347 3.243 20 10 CGCDMN Cc1[nH]nc(CN(C)c2ccc(OC(C)C)cc2)c1C ZINC000894565990 619578031 /nfs/dbraw/zinc/57/80/31/619578031.db2.gz HZSGTJKKXKUPCU-UHFFFAOYSA-N 0 1 273.380 3.450 20 10 CGCDMN C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894600703 619583991 /nfs/dbraw/zinc/58/39/91/619583991.db2.gz KTRUIVLYUFTVMT-OIBJUYFYSA-N 0 1 295.251 3.443 20 10 CGCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894617671 619590313 /nfs/dbraw/zinc/59/03/13/619590313.db2.gz CEFKLEDGCKITTQ-OAHLLOKOSA-N 0 1 285.334 3.061 20 10 CGCDMN CO[C@@]1(C)CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894617670 619590543 /nfs/dbraw/zinc/59/05/43/619590543.db2.gz CEFKLEDGCKITTQ-HNNXBMFYSA-N 0 1 285.334 3.061 20 10 CGCDMN CN(C)C1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCCCC1 ZINC000021806527 620214929 /nfs/dbraw/zinc/21/49/29/620214929.db2.gz LICGJSDWDFMMGB-UHFFFAOYSA-N 0 1 296.842 3.400 20 10 CGCDMN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])C1CCOCC1 ZINC000897449591 620339427 /nfs/dbraw/zinc/33/94/27/620339427.db2.gz AUFYCGUDKSDJLO-UHFFFAOYSA-N 0 1 281.371 3.074 20 10 CGCDMN Cc1cc(O)c(CN2C[C@@H](C)OC[C@H]2C)cc1C(C)C ZINC000249049610 620535451 /nfs/dbraw/zinc/53/54/51/620535451.db2.gz IOTYHAKAFMYRJL-ZIAGYGMSSA-N 0 1 277.408 3.433 20 10 CGCDMN CC[C@H]([NH2+]C1CC(CCO)C1)c1cc(Cl)ccc1[O-] ZINC000903330580 621705585 /nfs/dbraw/zinc/70/55/85/621705585.db2.gz RUTOPTOJQJBFKY-OVGLSYRBSA-N 0 1 283.799 3.247 20 10 CGCDMN C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1ccc(Cl)cc1[O-] ZINC000903441238 621750411 /nfs/dbraw/zinc/75/04/11/621750411.db2.gz ZYFBTEJRZZFBJQ-HERUPUMHSA-N 0 1 281.783 3.121 20 10 CGCDMN O=[N+]([O-])c1ccccc1CNCc1ccc2c(c1)CCCO2 ZINC000921551091 625669921 /nfs/dbraw/zinc/66/99/21/625669921.db2.gz YKQZQFIBLYFWAM-UHFFFAOYSA-N 0 1 298.342 3.210 20 10 CGCDMN Cc1ccc(CN(C)Cc2ccc(N(C)C)cc2)o1 ZINC000155192931 624452138 /nfs/dbraw/zinc/45/21/38/624452138.db2.gz XOEUCFHOIKMESP-UHFFFAOYSA-N 0 1 258.365 3.286 20 10 CGCDMN Cc1csc([C@@H](C)NCc2ccc(N(C)C)cc2)n1 ZINC000069168495 624801895 /nfs/dbraw/zinc/80/18/95/624801895.db2.gz CQBCUCYCLVEJIS-GFCCVEGCSA-N 0 1 275.421 3.368 20 10 CGCDMN CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000183058928 625044135 /nfs/dbraw/zinc/04/41/35/625044135.db2.gz FKFKXPCTAZEYKL-VHSXEESVSA-N 0 1 267.344 3.258 20 10 CGCDMN C[C@H](NCc1c(Cl)n[nH]c1C1CC1)c1ccccc1O ZINC000922328601 625998108 /nfs/dbraw/zinc/99/81/08/625998108.db2.gz FGFNYXICXDOSMN-VIFPVBQESA-N 0 1 291.782 3.497 20 10 CGCDMN CCCOc1ccc(CNCc2cncc(O)c2)cc1C ZINC000922975890 626111484 /nfs/dbraw/zinc/11/14/84/626111484.db2.gz MVOHXXFYUDYGLV-UHFFFAOYSA-N 0 1 286.375 3.174 20 10 CGCDMN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000839148318 626317484 /nfs/dbraw/zinc/31/74/84/626317484.db2.gz YMVSDRCKKPSPHL-PHIMTYICSA-N 0 1 269.772 3.091 20 10 CGCDMN CN(C)c1ccc(/C=C/CN2CC3(CC(F)C3)C2)cc1 ZINC000839139413 626322629 /nfs/dbraw/zinc/32/26/29/626322629.db2.gz GEHYLMFEQWTUOU-ONEGZZNKSA-N 0 1 274.383 3.200 20 10 CGCDMN COCCC1(C)CN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000839142982 626322869 /nfs/dbraw/zinc/32/28/69/626322869.db2.gz MRMHNFNPOHMHGZ-WAYWQWQTSA-N 0 1 288.435 3.124 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000753576827 626456288 /nfs/dbraw/zinc/45/62/88/626456288.db2.gz UDYZKTAEHNHGKL-CYBMUJFWSA-N 0 1 295.810 3.294 20 10 CGCDMN Cc1cc(C)c(O)c(C[N@H+]2CCOC(C)(C)[C@@H]2C)c1 ZINC000754741764 626585857 /nfs/dbraw/zinc/58/58/57/626585857.db2.gz RTBLJKJOQULQBF-ZDUSSCGKSA-N 0 1 263.381 3.008 20 10 CGCDMN COC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(C)C ZINC000756599351 626719927 /nfs/dbraw/zinc/71/99/27/626719927.db2.gz ZPLUGISTUAQESV-ZWNOBZJWSA-N 0 1 271.788 3.367 20 10 CGCDMN C[C@H]([NH2+]C1CCC(C)(O)CC1)c1cc(Cl)ccc1[O-] ZINC000756633231 626721813 /nfs/dbraw/zinc/72/18/13/626721813.db2.gz GMTBEUJDXRLRTJ-VLRKGOCCSA-N 0 1 283.799 3.390 20 10 CGCDMN COc1cc(C)nc(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC000757086013 626753651 /nfs/dbraw/zinc/75/36/51/626753651.db2.gz DNISNZDLSILUQQ-UHFFFAOYSA-N 0 1 299.418 3.097 20 10 CGCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2O)cn1 ZINC000757917372 626813556 /nfs/dbraw/zinc/81/35/56/626813556.db2.gz FLGGAIKSMVWHFA-UHFFFAOYSA-N 0 1 292.766 3.081 20 10 CGCDMN COc1ccc(CN(C)Cc2cc(Cl)ccc2O)cn1 ZINC000757917372 626813557 /nfs/dbraw/zinc/81/35/57/626813557.db2.gz FLGGAIKSMVWHFA-UHFFFAOYSA-N 0 1 292.766 3.081 20 10 CGCDMN COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])cn1 ZINC000757917372 626813559 /nfs/dbraw/zinc/81/35/59/626813559.db2.gz FLGGAIKSMVWHFA-UHFFFAOYSA-N 0 1 292.766 3.081 20 10 CGCDMN COc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])cn1 ZINC000757917372 626813561 /nfs/dbraw/zinc/81/35/61/626813561.db2.gz FLGGAIKSMVWHFA-UHFFFAOYSA-N 0 1 292.766 3.081 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000761227079 627027172 /nfs/dbraw/zinc/02/71/72/627027172.db2.gz XLNKLLMBYIXFMX-GFCCVEGCSA-N 0 1 263.381 3.269 20 10 CGCDMN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000761227079 627027176 /nfs/dbraw/zinc/02/71/76/627027176.db2.gz XLNKLLMBYIXFMX-GFCCVEGCSA-N 0 1 263.381 3.269 20 10 CGCDMN CCCC[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768142734 627462971 /nfs/dbraw/zinc/46/29/71/627462971.db2.gz NIMMLGJRMMRCOY-UHFFFAOYSA-N 0 1 272.732 3.186 20 10 CGCDMN CCOc1ccc(CN(C)Cc2cccc(C)n2)c(O)c1 ZINC000769481619 627558357 /nfs/dbraw/zinc/55/83/57/627558357.db2.gz WSMSDKRYEVYTCY-UHFFFAOYSA-N 0 1 286.375 3.126 20 10 CGCDMN CC1(C)[C@@H]2C[N@@H+](Cc3cc(Br)ccc3[O-])C[C@@H]21 ZINC000769487194 627559389 /nfs/dbraw/zinc/55/93/89/627559389.db2.gz JPIAVQITDWNADW-TXEJJXNPSA-N 0 1 296.208 3.243 20 10 CGCDMN CC1(C)[C@@H]2C[N@H+](Cc3cc(Br)ccc3[O-])C[C@@H]21 ZINC000769487194 627559392 /nfs/dbraw/zinc/55/93/92/627559392.db2.gz JPIAVQITDWNADW-TXEJJXNPSA-N 0 1 296.208 3.243 20 10 CGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000769513817 627561557 /nfs/dbraw/zinc/56/15/57/627561557.db2.gz FEWSROMDVADLMR-LLVKDONJSA-N 0 1 296.208 3.387 20 10 CGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000769513817 627561560 /nfs/dbraw/zinc/56/15/60/627561560.db2.gz FEWSROMDVADLMR-LLVKDONJSA-N 0 1 296.208 3.387 20 10 CGCDMN CC[C@@H](NCc1ccn(C(C)C)n1)c1ccccc1O ZINC000775413895 628092317 /nfs/dbraw/zinc/09/23/17/628092317.db2.gz JSUMCHAZEMPEKL-OAHLLOKOSA-N 0 1 273.380 3.411 20 10 CGCDMN CC[C@H]([NH2+][C@H](CCO)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775507769 628101934 /nfs/dbraw/zinc/10/19/34/628101934.db2.gz DYHOQSPDPOGVAW-UONOGXRCSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](C)CCO)c1cc(Cl)ccc1[O-] ZINC000775514323 628102593 /nfs/dbraw/zinc/10/25/93/628102593.db2.gz ZACPOGKAOZSIGX-GWCFXTLKSA-N 0 1 271.788 3.105 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](O)C(C)C)c1cc(Cl)ccc1[O-] ZINC000775508820 628102860 /nfs/dbraw/zinc/10/28/60/628102860.db2.gz XNBIZSLCAKAWIW-TZMCWYRMSA-N 0 1 271.788 3.103 20 10 CGCDMN CC[C@H](CCO)[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775509995 628102875 /nfs/dbraw/zinc/10/28/75/628102875.db2.gz UEZGGIYEPZRUJM-DGCLKSJQSA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@H]([NH2+]CCC(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000775586599 628111562 /nfs/dbraw/zinc/11/15/62/628111562.db2.gz TTZYZUTWEKCNES-LBPRGKRZSA-N 0 1 271.788 3.247 20 10 CGCDMN CCOCC[N@@H+](CC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775663845 628121808 /nfs/dbraw/zinc/12/18/08/628121808.db2.gz FGZLDLLNNLHFBQ-UHFFFAOYSA-N 0 1 275.751 3.043 20 10 CGCDMN CN(Cc1cscn1)Cc1cc(Cl)cc(F)c1O ZINC000775664285 628122102 /nfs/dbraw/zinc/12/21/02/628122102.db2.gz SGRZTLDPTMJTAE-UHFFFAOYSA-N 0 1 286.759 3.273 20 10 CGCDMN COc1ccc(O)c(CN2CCc3cccc(F)c3C2)c1 ZINC000775701256 628127282 /nfs/dbraw/zinc/12/72/82/628127282.db2.gz PULDDVUQOMYGQU-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN Cc1cccc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000775724152 628129239 /nfs/dbraw/zinc/12/92/39/628129239.db2.gz KCPINZHHISDRCD-CQSZACIVSA-N 0 1 291.391 3.007 20 10 CGCDMN CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C ZINC000776499723 628215002 /nfs/dbraw/zinc/21/50/02/628215002.db2.gz XTWTUODQZFGSAX-CUOATXAZSA-N 0 1 283.799 3.195 20 10 CGCDMN CCN(CC)c1ccc(CN2CCO[C@H](C3CC3)C2)cc1 ZINC000777222415 628256809 /nfs/dbraw/zinc/25/68/09/628256809.db2.gz SCQICZZHITVPEK-SFHVURJKSA-N 0 1 288.435 3.144 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@@H](C)C1 ZINC000779002056 628382894 /nfs/dbraw/zinc/38/28/94/628382894.db2.gz JQILVDSTYLZBBT-GJZGRUSLSA-N 0 1 277.408 3.419 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@@H](C)C1 ZINC000779002056 628382896 /nfs/dbraw/zinc/38/28/96/628382896.db2.gz JQILVDSTYLZBBT-GJZGRUSLSA-N 0 1 277.408 3.419 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)c2c1c(F)ccc2[O-] ZINC000779088338 628388194 /nfs/dbraw/zinc/38/81/94/628388194.db2.gz MSAMHKNJIATQPW-WVWOOGAGSA-N 0 1 293.382 3.220 20 10 CGCDMN CC[C@]1(C)CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000785984620 628905707 /nfs/dbraw/zinc/90/57/07/628905707.db2.gz OVRUUZPQKZJEIN-CQSZACIVSA-N 0 1 287.762 3.186 20 10 CGCDMN C[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000789557072 629145056 /nfs/dbraw/zinc/14/50/56/629145056.db2.gz FWMISXJKAMHRKR-ZDUSSCGKSA-N 0 1 290.190 3.046 20 10 CGCDMN Cc1cc(C)cc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789941219 629175955 /nfs/dbraw/zinc/17/59/55/629175955.db2.gz HTNFNPYTANLPLB-UHFFFAOYSA-N 0 1 275.279 3.106 20 10 CGCDMN O=C(Nc1ccc(F)c(Cl)c1)c1c(F)ccc(O)c1O ZINC000789942492 629175963 /nfs/dbraw/zinc/17/59/63/629175963.db2.gz RLYMCSUXQNXYLB-UHFFFAOYSA-N 0 1 299.660 3.282 20 10 CGCDMN CC[C@H]1CO[C@H](C)CN1Cc1c(O)ccc(Cl)c1F ZINC000792157395 629341300 /nfs/dbraw/zinc/34/13/00/629341300.db2.gz VZLATWMDTNBZDY-ZJUUUORDSA-N 0 1 287.762 3.184 20 10 CGCDMN CCOc1ccc(O)c(CN2CCc3c(O)cccc3C2)c1 ZINC000862529832 629392181 /nfs/dbraw/zinc/39/21/81/629392181.db2.gz OVFIAROAZTUIHW-UHFFFAOYSA-N 0 1 299.370 3.055 20 10 CGCDMN Cc1cc(Cl)cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000793214793 629429273 /nfs/dbraw/zinc/42/92/73/629429273.db2.gz RGJVOSSYDDCOBZ-NHYWBVRUSA-N 0 1 295.810 3.353 20 10 CGCDMN Cc1ccncc1C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000793338310 629444854 /nfs/dbraw/zinc/44/48/54/629444854.db2.gz UHCNJJWXIFBIAG-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN Cc1ccncc1C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000793338310 629444857 /nfs/dbraw/zinc/44/48/57/629444857.db2.gz UHCNJJWXIFBIAG-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN COc1ccc(CNCc2ncc(C(C)C)s2)c(O)c1 ZINC000793388587 629453044 /nfs/dbraw/zinc/45/30/44/629453044.db2.gz QACFZAGNVDWFEQ-UHFFFAOYSA-N 0 1 292.404 3.271 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@H](OC3CCC3)C2)ccc(F)c1F ZINC000864049633 629741782 /nfs/dbraw/zinc/74/17/82/629741782.db2.gz JWQHLGONDGQGGA-ZDUSSCGKSA-N 0 1 297.345 3.204 20 10 CGCDMN c1cnc2c(c1)CCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000798925867 630125885 /nfs/dbraw/zinc/12/58/85/630125885.db2.gz DUPQCVRKLMMVIG-INIZCTEOSA-N 0 1 280.371 3.184 20 10 CGCDMN COc1cc(CN2CC[C@@H](F)C2)c(O)c(C(C)(C)C)c1 ZINC000840107828 630596808 /nfs/dbraw/zinc/59/68/08/630596808.db2.gz ZCIPPPKLAQLTFD-GFCCVEGCSA-N 0 1 281.371 3.242 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CCO)CC2)c1[O-] ZINC000808715710 630669728 /nfs/dbraw/zinc/66/97/28/630669728.db2.gz NQSSMJIXXIRKIM-LLVKDONJSA-N 0 1 283.799 3.167 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)c1[O-] ZINC000808715980 630669909 /nfs/dbraw/zinc/66/99/09/630669909.db2.gz PCADVBJNDVDTBH-LOWVWBTDSA-N 0 1 283.799 3.166 20 10 CGCDMN CC[C@@H]([NH2+]CCCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810206918 630853952 /nfs/dbraw/zinc/85/39/52/630853952.db2.gz AKCCZRKZIDSFDS-GFCCVEGCSA-N 0 1 291.313 3.488 20 10 CGCDMN C/C=C/C=C/C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683717 631452738 /nfs/dbraw/zinc/45/27/38/631452738.db2.gz AMGGBWMZXWVKOL-MQQKCMAXSA-N 0 1 286.158 3.448 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000816516745 632001625 /nfs/dbraw/zinc/00/16/25/632001625.db2.gz ORFQMTARLAOKPU-JTQLQIEISA-N 0 1 269.747 3.417 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@H]2CCCCO2)ccc2ccccc21 ZINC000816540429 632005787 /nfs/dbraw/zinc/00/57/87/632005787.db2.gz LCCGQJAQXKJZOL-OAHLLOKOSA-N 0 1 271.360 3.204 20 10 CGCDMN CCC[C@@H](CCO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816553849 632010741 /nfs/dbraw/zinc/01/07/41/632010741.db2.gz INIYALJGQFSSIF-AWEZNQCLSA-N 0 1 287.403 3.434 20 10 CGCDMN CS[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816558082 632011667 /nfs/dbraw/zinc/01/16/67/632011667.db2.gz MGTCDWRDFFHMDE-NSHDSACASA-N 0 1 261.390 3.387 20 10 CGCDMN [O-]c1c(C[NH+]2CC(C3CCOCC3)C2)ccc2ccccc21 ZINC000816599992 632021268 /nfs/dbraw/zinc/02/12/68/632021268.db2.gz HENWTPNHCHMUOV-UHFFFAOYSA-N 0 1 297.398 3.404 20 10 CGCDMN CC[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])OC ZINC000816616226 632024431 /nfs/dbraw/zinc/02/44/31/632024431.db2.gz RNQFEONYYHZENC-CQSZACIVSA-N 0 1 259.349 3.060 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000816630843 632026360 /nfs/dbraw/zinc/02/63/60/632026360.db2.gz UMHVDUFQVQVUAI-CYBMUJFWSA-N 0 1 299.773 3.064 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC(C)(C)CO ZINC000824629684 633266872 /nfs/dbraw/zinc/26/68/72/633266872.db2.gz CPJAEVZDJZAHNO-UHFFFAOYSA-N 0 1 292.206 3.149 20 10 CGCDMN Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824715173 633278167 /nfs/dbraw/zinc/27/81/67/633278167.db2.gz IVVXRCYNAWYIEH-LZWOXQAQSA-N 0 1 295.810 3.171 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824715173 633278173 /nfs/dbraw/zinc/27/81/73/633278173.db2.gz IVVXRCYNAWYIEH-LZWOXQAQSA-N 0 1 295.810 3.171 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824715173 633278177 /nfs/dbraw/zinc/27/81/77/633278177.db2.gz IVVXRCYNAWYIEH-LZWOXQAQSA-N 0 1 295.810 3.171 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCCOC(C)(C)C2)cc1Cl ZINC000824836190 633299435 /nfs/dbraw/zinc/29/94/35/633299435.db2.gz JOFFPOOLXUSIML-UHFFFAOYSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCCOC(C)(C)C2)cc1Cl ZINC000824836190 633299439 /nfs/dbraw/zinc/29/94/39/633299439.db2.gz JOFFPOOLXUSIML-UHFFFAOYSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc(Cl)cc(CN[C@H]2C[C@H](C)n3ccnc32)c1O ZINC000825017579 633318506 /nfs/dbraw/zinc/31/85/06/633318506.db2.gz VKQDDHOQCDKESR-GWCFXTLKSA-N 0 1 291.782 3.346 20 10 CGCDMN CCc1nc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])co1 ZINC000825058361 633323602 /nfs/dbraw/zinc/32/36/02/633323602.db2.gz WRKMBGNCALVBNK-UHFFFAOYSA-N 0 1 284.718 3.025 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825134068 633331302 /nfs/dbraw/zinc/33/13/02/633331302.db2.gz ULJQRQYMEWSZSU-HNNXBMFYSA-N 0 1 299.773 3.187 20 10 CGCDMN COCCCCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825167679 633333528 /nfs/dbraw/zinc/33/35/28/633333528.db2.gz OJYXBUAFIXKKQZ-UHFFFAOYSA-N 0 1 271.788 3.260 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@@H](CCCO)C2)ccc2ccccc21 ZINC000825339079 633347104 /nfs/dbraw/zinc/34/71/04/633347104.db2.gz ZWVPPZPCHJRGLU-CQSZACIVSA-N 0 1 285.387 3.140 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@@H](CCCO)C2)ccc2ccccc21 ZINC000825339079 633347106 /nfs/dbraw/zinc/34/71/06/633347106.db2.gz ZWVPPZPCHJRGLU-CQSZACIVSA-N 0 1 285.387 3.140 20 10 CGCDMN COC1(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CCC1 ZINC000825467904 633356929 /nfs/dbraw/zinc/35/69/29/633356929.db2.gz AXMHHQOGSCRGIL-UHFFFAOYSA-N 0 1 269.772 3.013 20 10 CGCDMN CC(C)C1C[NH+](Cc2ccc(Br)cc2[O-])C1 ZINC000825738662 633378891 /nfs/dbraw/zinc/37/88/91/633378891.db2.gz RLYXBIVTOXKMSF-UHFFFAOYSA-N 0 1 284.197 3.243 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1Cl ZINC000826011814 633396553 /nfs/dbraw/zinc/39/65/53/633396553.db2.gz IXOZUJCVGVDTDI-HNNXBMFYSA-N 0 1 295.810 3.233 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)C23CCCC3)cc1Cl ZINC000826011814 633396561 /nfs/dbraw/zinc/39/65/61/633396561.db2.gz IXOZUJCVGVDTDI-HNNXBMFYSA-N 0 1 295.810 3.233 20 10 CGCDMN C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000827017393 633448790 /nfs/dbraw/zinc/44/87/90/633448790.db2.gz BXOZJZINUQCVFV-KDURUIRLSA-N 0 1 297.398 3.404 20 10 CGCDMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000827017393 633448792 /nfs/dbraw/zinc/44/87/92/633448792.db2.gz BXOZJZINUQCVFV-KDURUIRLSA-N 0 1 297.398 3.404 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1(CO)CCC1 ZINC000827903746 633532648 /nfs/dbraw/zinc/53/26/48/633532648.db2.gz NRQBLOJFMRLVMM-UHFFFAOYSA-N 0 1 290.190 3.046 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCC[C@@H](F)C1 ZINC000846119934 636147646 /nfs/dbraw/zinc/14/76/46/636147646.db2.gz KLUAYFUBPPCFMW-SNVBAGLBSA-N 0 1 261.699 3.119 20 10 CGCDMN C[C@H](N[C@H]1CCn2ccnc21)c1cc2c(cc1O)CCCC2 ZINC000834829998 634250897 /nfs/dbraw/zinc/25/08/97/634250897.db2.gz AWGXOUZUZWGDNE-LRDDRELGSA-N 0 1 297.402 3.263 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)CCCO)c1[O-] ZINC000834870910 634261489 /nfs/dbraw/zinc/26/14/89/634261489.db2.gz LNXPWHMWAUWARC-CMPLNLGQSA-N 0 1 285.815 3.413 20 10 CGCDMN CC[C@H]([NH2+][C@@H](CC)[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000834888207 634268510 /nfs/dbraw/zinc/26/85/10/634268510.db2.gz NNSVFKFMUXISRF-XDTLVQLUSA-N 0 1 271.788 3.246 20 10 CGCDMN CCn1ccnc1[C@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000834894240 634272026 /nfs/dbraw/zinc/27/20/26/634272026.db2.gz JLBKZQOKHFTHKN-STQMWFEESA-N 0 1 273.380 3.329 20 10 CGCDMN COc1cccc(CNc2ccc3c(n2)CCCC3)c1O ZINC000873190193 634277705 /nfs/dbraw/zinc/27/77/05/634277705.db2.gz XCVKJBNHPRLDKN-UHFFFAOYSA-N 0 1 284.359 3.287 20 10 CGCDMN COc1cccnc1CN[C@@H](C)c1cc(Cl)ccc1O ZINC000834906652 634281916 /nfs/dbraw/zinc/28/19/16/634281916.db2.gz RFMMAVNGZNNEAD-JTQLQIEISA-N 0 1 292.766 3.300 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000834905890 634282574 /nfs/dbraw/zinc/28/25/74/634282574.db2.gz LZUDOXCPEGQBAR-HACGYAERSA-N 0 1 285.387 3.357 20 10 CGCDMN CCn1nc(C)c(NCc2ccc(F)c(F)c2O)c1C ZINC000877161235 635004336 /nfs/dbraw/zinc/00/43/36/635004336.db2.gz HVPVFTYKLBPHDE-UHFFFAOYSA-N 0 1 281.306 3.116 20 10 CGCDMN CC[N@@H+](Cc1ccncc1)Cc1ccc(F)c(F)c1[O-] ZINC000877524385 635071676 /nfs/dbraw/zinc/07/16/76/635071676.db2.gz WGEUSBUWGKIKLM-UHFFFAOYSA-N 0 1 278.302 3.088 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c(Cl)c1 ZINC000840908747 635080003 /nfs/dbraw/zinc/08/00/03/635080003.db2.gz WKGANINXRAAMCO-RYUDHWBXSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CCC(CCCO)CC2)c(Cl)c1 ZINC000840936772 635085502 /nfs/dbraw/zinc/08/55/02/635085502.db2.gz MERGJELAVQGPNL-UHFFFAOYSA-N 0 1 297.826 3.339 20 10 CGCDMN CS[C@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840951178 635091443 /nfs/dbraw/zinc/09/14/43/635091443.db2.gz TVKGQBNIYCLVAD-JTQLQIEISA-N 0 1 271.813 3.291 20 10 CGCDMN CS[C@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840951178 635091446 /nfs/dbraw/zinc/09/14/46/635091446.db2.gz TVKGQBNIYCLVAD-JTQLQIEISA-N 0 1 271.813 3.291 20 10 CGCDMN CC[C@@H]1C[N@H+](Cc2c([O-])cc(C)cc2Cl)CCCO1 ZINC000840942507 635088294 /nfs/dbraw/zinc/08/82/94/635088294.db2.gz YIJUCEVAFSZUFU-GFCCVEGCSA-N 0 1 283.799 3.355 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2c([O-])cc(C)cc2Cl)CCCO1 ZINC000840942507 635088300 /nfs/dbraw/zinc/08/83/00/635088300.db2.gz YIJUCEVAFSZUFU-GFCCVEGCSA-N 0 1 283.799 3.355 20 10 CGCDMN COc1ccncc1CNCc1c(O)cc(C)cc1Cl ZINC000840951087 635090571 /nfs/dbraw/zinc/09/05/71/635090571.db2.gz YDYRJLJUDIKINE-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN COCC(C)(C)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840950351 635090776 /nfs/dbraw/zinc/09/07/76/635090776.db2.gz MPJGKDICDGLBOG-UHFFFAOYSA-N 0 1 271.788 3.116 20 10 CGCDMN Cc1cccc(O)c1CNc1ccc2c(n1)CCC2 ZINC000877571793 635097323 /nfs/dbraw/zinc/09/73/23/635097323.db2.gz JQPPWLLNHQQSRX-UHFFFAOYSA-N 0 1 254.333 3.196 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)ccc(F)c1F ZINC000877603371 635107572 /nfs/dbraw/zinc/10/75/72/635107572.db2.gz LOZXKBQGUBNXSA-OCCSQVGLSA-N 0 1 297.345 3.061 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877740740 635175840 /nfs/dbraw/zinc/17/58/40/635175840.db2.gz TUXNPMZQXBOZBR-WDEREUQCSA-N 0 1 283.824 3.231 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877740740 635175847 /nfs/dbraw/zinc/17/58/47/635175847.db2.gz TUXNPMZQXBOZBR-WDEREUQCSA-N 0 1 283.824 3.231 20 10 CGCDMN CC1(C)C[C@H](O)C[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877753374 635182890 /nfs/dbraw/zinc/18/28/90/635182890.db2.gz YHZNLIGADCPYML-HNNXBMFYSA-N 0 1 285.387 3.138 20 10 CGCDMN CC1(C)C[C@H](O)C[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877753374 635182893 /nfs/dbraw/zinc/18/28/93/635182893.db2.gz YHZNLIGADCPYML-HNNXBMFYSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(Cl)cc1[O-] ZINC000841743425 635220613 /nfs/dbraw/zinc/22/06/13/635220613.db2.gz GFYURXTTZQLHET-TVQRCGJNSA-N 0 1 281.739 3.023 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccn(C)n1 ZINC000841753229 635226607 /nfs/dbraw/zinc/22/66/07/635226607.db2.gz FHJQYYDRELSEAI-VHSXEESVSA-N 0 1 279.771 3.191 20 10 CGCDMN C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841754847 635229105 /nfs/dbraw/zinc/22/91/05/635229105.db2.gz MONLOHTZGXFTFW-RYUDHWBXSA-N 0 1 282.815 3.181 20 10 CGCDMN C[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(Cl)cc1[O-] ZINC000841757098 635231097 /nfs/dbraw/zinc/23/10/97/635231097.db2.gz MCRDKMJWMMGKSW-TVQRCGJNSA-N 0 1 269.772 3.121 20 10 CGCDMN CCC[N@@H+](Cc1cnoc1C)Cc1ccccc1O ZINC000128752132 636070098 /nfs/dbraw/zinc/07/00/98/636070098.db2.gz BFZFZWZWIXCBMV-UHFFFAOYSA-N 0 1 260.337 3.101 20 10 CGCDMN COC1(C[C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000846056703 636139914 /nfs/dbraw/zinc/13/99/14/636139914.db2.gz XYYOHSNLOAYNHM-LLVKDONJSA-N 0 1 283.799 3.483 20 10 CGCDMN CCc1cccc(CNCc2nccn2CC(C)C)c1O ZINC000848901031 636681823 /nfs/dbraw/zinc/68/18/23/636681823.db2.gz UCMDYGDCSVKGNC-UHFFFAOYSA-N 0 1 287.407 3.097 20 10 CGCDMN COCC[N@H+](Cc1cc(Cl)ccc1O)CC(C)C ZINC000132641219 636827499 /nfs/dbraw/zinc/82/74/99/636827499.db2.gz VAOAXPULZKKKOG-UHFFFAOYSA-N 0 1 271.788 3.150 20 10 CGCDMN COCC[N@@H+](Cc1cc(Cl)ccc1[O-])CC(C)C ZINC000132641219 636827502 /nfs/dbraw/zinc/82/75/02/636827502.db2.gz VAOAXPULZKKKOG-UHFFFAOYSA-N 0 1 271.788 3.150 20 10 CGCDMN COCC[N@H+](Cc1cc(Cl)ccc1[O-])CC(C)C ZINC000132641219 636827506 /nfs/dbraw/zinc/82/75/06/636827506.db2.gz VAOAXPULZKKKOG-UHFFFAOYSA-N 0 1 271.788 3.150 20 10 CGCDMN Cc1nc([C@H](C)Sc2ncc(Cl)s2)n[nH]1 ZINC000850001966 636926260 /nfs/dbraw/zinc/92/62/60/636926260.db2.gz QEPTZLRUUIBPHF-BYPYZUCNSA-N 0 1 260.775 3.076 20 10 CGCDMN CC[C@@H](COCC1CC1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000850350047 637022884 /nfs/dbraw/zinc/02/28/84/637022884.db2.gz NNAXMBSIBCNNIB-AWEZNQCLSA-N 0 1 283.799 3.340 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1CCSCC1 ZINC000134608890 637030610 /nfs/dbraw/zinc/03/06/10/637030610.db2.gz AZPJOQYCNIHGFK-UHFFFAOYSA-N 0 1 271.813 3.278 20 10 CGCDMN C[C@H]([NH2+]CCCF)c1cc(Br)ccc1[O-] ZINC000134935531 637053525 /nfs/dbraw/zinc/05/35/25/637053525.db2.gz DOCQSTRWDQJEAN-QMMMGPOBSA-N 0 1 276.149 3.165 20 10 CGCDMN C[C@H](O)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850419137 637054128 /nfs/dbraw/zinc/05/41/28/637054128.db2.gz BVOVALDKPSINFT-MEDUHNTESA-N 0 1 291.778 3.257 20 10 CGCDMN COc1cccc([C@@H](C)N[C@@H](C)c2cscn2)c1O ZINC000850511263 637097229 /nfs/dbraw/zinc/09/72/29/637097229.db2.gz ARVFIDLSTVPYJO-ZJUUUORDSA-N 0 1 278.377 3.269 20 10 CGCDMN COc1cccc(F)c1[C@H](C)NCc1ccccc1O ZINC000135224818 637098626 /nfs/dbraw/zinc/09/86/26/637098626.db2.gz UDEFATDSHFORGL-NSHDSACASA-N 0 1 275.323 3.391 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC2(C)C)c2c1c(F)ccc2[O-] ZINC000850571195 637128828 /nfs/dbraw/zinc/12/88/28/637128828.db2.gz OODCZPLIZNVHJV-MDZLAQPJSA-N 0 1 293.382 3.484 20 10 CGCDMN Cc1cc(C)c([C@H](C)N[C@@H](C)c2nccn2C)c(O)c1 ZINC000850572299 637129704 /nfs/dbraw/zinc/12/97/04/637129704.db2.gz JIPXZGZMICNGJE-STQMWFEESA-N 0 1 273.380 3.154 20 10 CGCDMN CN(C)c1cc(F)c(CNCc2ccsc2)cc1F ZINC000858097486 638627200 /nfs/dbraw/zinc/62/72/00/638627200.db2.gz OCHRUFHBPDUKEF-UHFFFAOYSA-N 0 1 282.359 3.382 20 10 CGCDMN Cc1ccc([C@@H](C)NCc2cc(C3CC3)n(C)n2)c(O)c1 ZINC000927109689 638843039 /nfs/dbraw/zinc/84/30/39/638843039.db2.gz VMTIXZMMPYHVPH-GFCCVEGCSA-N 0 1 285.391 3.162 20 10 CGCDMN CCCN(Cc1ccccc1O)[C@@H](C)c1ncccn1 ZINC000929753130 638947118 /nfs/dbraw/zinc/94/71/18/638947118.db2.gz LYVIMWGZJVZPJT-ZDUSSCGKSA-N 0 1 271.364 3.155 20 10 CGCDMN C[C@H](C[N@H+](C)Cc1ccccc1O)C(=O)c1ccc([O-])cc1 ZINC000929974766 638965513 /nfs/dbraw/zinc/96/55/13/638965513.db2.gz APIMCTOROJTQKI-CYBMUJFWSA-N 0 1 299.370 3.049 20 10 CGCDMN C[C@H](C[N@@H+](C)Cc1ccccc1O)C(=O)c1ccc([O-])cc1 ZINC000929974766 638965515 /nfs/dbraw/zinc/96/55/15/638965515.db2.gz APIMCTOROJTQKI-CYBMUJFWSA-N 0 1 299.370 3.049 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc2ccccc2c1[O-] ZINC000040671903 639895948 /nfs/dbraw/zinc/89/59/48/639895948.db2.gz FGJSSWKLHKKVLW-ZFWWWQNUSA-N 0 1 284.403 3.290 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc2c1OCO2 ZINC000040667012 639896400 /nfs/dbraw/zinc/89/64/00/639896400.db2.gz NOMYEHDOZBRMNT-UHFFFAOYSA-N 0 1 291.734 3.064 20 10 CGCDMN C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000041158833 639901234 /nfs/dbraw/zinc/90/12/34/639901234.db2.gz QCBXOWVRDKVRKE-GFCCVEGCSA-N 0 1 281.359 3.130 20 10 CGCDMN CC(C)=CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000191627481 640323437 /nfs/dbraw/zinc/32/34/37/640323437.db2.gz PQRZAOIAAXVLSP-UHFFFAOYSA-N 0 1 270.170 3.211 20 10 CGCDMN COc1cccc(CC[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000113322874 640974831 /nfs/dbraw/zinc/97/48/31/640974831.db2.gz MZJMFKWGUISQEL-UHFFFAOYSA-N 0 1 291.778 3.387 20 10 CGCDMN Oc1cc(O)c(-c2nc3ccc(C(F)F)cc3[nH]2)cc1O ZINC001251358678 805887227 /nfs/dbraw/zinc/88/72/27/805887227.db2.gz ODZXVWVQILIECY-UHFFFAOYSA-N 0 1 292.241 3.284 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[O-] ZINC000037322460 798866626 /nfs/dbraw/zinc/86/66/26/798866626.db2.gz GQLIHQRCBJGGJZ-PHIMTYICSA-N 0 1 279.355 3.212 20 10 CGCDMN CS[C@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000381540226 799381369 /nfs/dbraw/zinc/38/13/69/799381369.db2.gz HKCGLTNZXXEKQI-JQWIXIFHSA-N 0 1 257.786 3.029 20 10 CGCDMN CCC[C@]1([NH2+]Cc2cc(Cl)ccc2[O-])CCOC1 ZINC000393469625 799487444 /nfs/dbraw/zinc/48/74/44/799487444.db2.gz FFTKDFNIFQLEQF-AWEZNQCLSA-N 0 1 269.772 3.094 20 10 CGCDMN CC/C=C/C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000395186952 799503487 /nfs/dbraw/zinc/50/34/87/799503487.db2.gz VBHASVOMBHZSHS-ONEGZZNKSA-N 0 1 270.170 3.211 20 10 CGCDMN Cc1cc(CNCc2ccc3c(c2)CCCN3C)sn1 ZINC000404331459 799575463 /nfs/dbraw/zinc/57/54/63/799575463.db2.gz PXILYQDEAYNZNJ-UHFFFAOYSA-N 0 1 287.432 3.124 20 10 CGCDMN CC(C)O[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000404505616 799577450 /nfs/dbraw/zinc/57/74/50/799577450.db2.gz BGELRWJSQXOGQY-AWEZNQCLSA-N 0 1 283.799 3.435 20 10 CGCDMN CC(C)O[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000404505616 799577452 /nfs/dbraw/zinc/57/74/52/799577452.db2.gz BGELRWJSQXOGQY-AWEZNQCLSA-N 0 1 283.799 3.435 20 10 CGCDMN CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000687211537 799737490 /nfs/dbraw/zinc/73/74/90/799737490.db2.gz BMARRNBRASVNIR-CMPLNLGQSA-N 0 1 269.772 3.045 20 10 CGCDMN COc1ccc2c(c1)CN(Cc1cccc(C)c1O)C2 ZINC000692920450 799803037 /nfs/dbraw/zinc/80/30/37/799803037.db2.gz ASSLQEWGJUGAEB-UHFFFAOYSA-N 0 1 269.344 3.225 20 10 CGCDMN C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701044225 799883046 /nfs/dbraw/zinc/88/30/46/799883046.db2.gz PEGAOQBSYIFQHI-BXKDBHETSA-N 0 1 284.197 3.433 20 10 CGCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C1CCC1 ZINC000701045716 799884456 /nfs/dbraw/zinc/88/44/56/799884456.db2.gz UFARNPXFXIZKNI-VIFPVBQESA-N 0 1 284.197 3.433 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@@H]1CC1(F)F ZINC000701944679 799899867 /nfs/dbraw/zinc/89/98/67/799899867.db2.gz OIUFMFHEHZNTQB-MRVPVSSYSA-N 0 1 261.699 3.181 20 10 CGCDMN COc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000703348707 799923580 /nfs/dbraw/zinc/92/35/80/799923580.db2.gz QQTGAVCDZIIMGM-UHFFFAOYSA-N 0 1 265.259 3.291 20 10 CGCDMN CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000703676664 799928575 /nfs/dbraw/zinc/92/85/75/799928575.db2.gz UALCQPBDJNFPGP-CXMBCZLWSA-N 0 1 271.360 3.373 20 10 CGCDMN CCC(CC)[NH2+]Cc1c([O-])cccc1Br ZINC000706844015 799967526 /nfs/dbraw/zinc/96/75/26/799967526.db2.gz YISNMSZJHVIEDI-UHFFFAOYSA-N 0 1 272.186 3.433 20 10 CGCDMN CC[C@H]([NH2+]Cc1c([O-])cccc1Br)C1CC1 ZINC000706854295 799967784 /nfs/dbraw/zinc/96/77/84/799967784.db2.gz ZBXAUACEVBTKJL-LBPRGKRZSA-N 0 1 284.197 3.433 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711427912 800057745 /nfs/dbraw/zinc/05/77/45/800057745.db2.gz QRWPEEXQCDVYQE-ZDUSSCGKSA-N 0 1 281.783 3.237 20 10 CGCDMN CC[N@H+](Cc1c([O-])cccc1Cl)C1CCOCC1 ZINC000716475676 800171963 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C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C[C@H]1C ZINC001138122585 803860878 /nfs/dbraw/zinc/86/08/78/803860878.db2.gz ONJWDXDVPDNHMH-VXGBXAGGSA-N 0 1 251.345 3.399 20 10 CGCDMN COCC[C@H]1CCCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139682635 804249861 /nfs/dbraw/zinc/24/98/61/804249861.db2.gz AAPRYACAJXZOGN-LLVKDONJSA-N 0 1 285.334 3.061 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC2CCC1CC2 ZINC001139682694 804252719 /nfs/dbraw/zinc/25/27/19/804252719.db2.gz BCYROYZKZKEASW-UHFFFAOYSA-N 0 1 253.292 3.045 20 10 CGCDMN Cc1cccc2c1CN(Cc1cc(F)ccc1O)C2 ZINC001140058369 804364580 /nfs/dbraw/zinc/36/45/80/804364580.db2.gz XVXKPZRSFNXDLI-UHFFFAOYSA-N 0 1 257.308 3.356 20 10 CGCDMN C[C@@]1(CF)CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140337730 804417506 /nfs/dbraw/zinc/41/75/06/804417506.db2.gz BFCMKZHTZHVQQR-ZDUSSCGKSA-N 0 1 257.736 3.227 20 10 CGCDMN C[C@@]1(CF)CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140337730 804417511 /nfs/dbraw/zinc/41/75/11/804417511.db2.gz BFCMKZHTZHVQQR-ZDUSSCGKSA-N 0 1 257.736 3.227 20 10 CGCDMN CC1(C)C[NH+](Cc2ccc(Cl)cc2[O-])CC(C)(C)O1 ZINC001140464568 804441663 /nfs/dbraw/zinc/44/16/63/804441663.db2.gz VNQWJOHRQGICJB-UHFFFAOYSA-N 0 1 283.799 3.435 20 10 CGCDMN CC1(C)CN(Cc2ccc(Cl)cc2O)CC(C)(C)O1 ZINC001140464568 804441670 /nfs/dbraw/zinc/44/16/70/804441670.db2.gz VNQWJOHRQGICJB-UHFFFAOYSA-N 0 1 283.799 3.435 20 10 CGCDMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1c([O-])cc(F)cc1F ZINC001140579862 804466758 /nfs/dbraw/zinc/46/67/58/804466758.db2.gz JLDJVYBIQJHXQP-AOOOYVTPSA-N 0 1 255.308 3.433 20 10 CGCDMN Cc1ccc(O)c(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC001140617492 804476634 /nfs/dbraw/zinc/47/66/34/804476634.db2.gz REFQFNHRXYKFIM-CABCVRRESA-N 0 1 273.376 3.034 20 10 CGCDMN Cc1ccc(O)c(CN(C)Cc2cccc3c2OCO3)c1 ZINC001140624162 804477669 /nfs/dbraw/zinc/47/76/69/804477669.db2.gz JCWUEJAZGRLPLL-UHFFFAOYSA-N 0 1 285.343 3.061 20 10 CGCDMN CN(Cc1ccccc1O)Cc1cnccc1C(F)(F)F ZINC001140920230 804548576 /nfs/dbraw/zinc/54/85/76/804548576.db2.gz MUYFBMOBBYWAFU-UHFFFAOYSA-N 0 1 296.292 3.438 20 10 CGCDMN CN(C)c1ccc(CN2[C@@H]3CC[C@H]2CC(=O)C3)c(Cl)c1 ZINC001140922385 804549660 /nfs/dbraw/zinc/54/96/60/804549660.db2.gz PHZFUQLOQFCOFS-OKILXGFUSA-N 0 1 292.810 3.102 20 10 CGCDMN CN(Cc1[nH]cnc1C(C)(C)C)Cc1ccccc1O ZINC001142235207 804705370 /nfs/dbraw/zinc/70/53/70/804705370.db2.gz QYRYNKNHPNFXHC-UHFFFAOYSA-N 0 1 273.380 3.045 20 10 CGCDMN Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cnn1C ZINC001261374675 807740440 /nfs/dbraw/zinc/74/04/40/807740440.db2.gz QJWSFOOTMYBHRV-VHSXEESVSA-N 0 1 293.798 3.499 20 10 CGCDMN CC[N@@H+](Cc1ccccc1O)[C@@H](C)CCC(=O)OC(C)C ZINC001172773742 808436960 /nfs/dbraw/zinc/43/69/60/808436960.db2.gz QWZBYEOCEVNKBY-AWEZNQCLSA-N 0 1 293.407 3.334 20 10 CGCDMN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)CCC(=O)OC(C)C ZINC001172773742 808436965 /nfs/dbraw/zinc/43/69/65/808436965.db2.gz QWZBYEOCEVNKBY-AWEZNQCLSA-N 0 1 293.407 3.334 20 10 CGCDMN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)CCC(=O)OC(C)C ZINC001172773742 808436968 /nfs/dbraw/zinc/43/69/68/808436968.db2.gz QWZBYEOCEVNKBY-AWEZNQCLSA-N 0 1 293.407 3.334 20 10 CGCDMN CO[C@@H](CC[NH2+]Cc1ccc(Cl)cc1[O-])C(F)(F)F ZINC001180916730 810026751 /nfs/dbraw/zinc/02/67/51/810026751.db2.gz HFHYOLOSUAKIBV-NSHDSACASA-N 0 1 297.704 3.103 20 10 CGCDMN COc1ccc(C[N@@H+](C)Cc2cccs2)c(O)c1 ZINC001203627551 812410939 /nfs/dbraw/zinc/41/09/39/812410939.db2.gz IQKUMVVGFBCHDU-UHFFFAOYSA-N 0 1 263.362 3.094 20 10 CGCDMN C[C@H]1C[C@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])CC[C@H]2O1 ZINC001203656340 812417726 /nfs/dbraw/zinc/41/77/26/812417726.db2.gz NLJPHRZXTLHOLD-ITDIGPHOSA-N 0 1 281.783 3.045 20 10 CGCDMN C[C@H]1C[C@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])CC[C@H]2O1 ZINC001203656340 812417730 /nfs/dbraw/zinc/41/77/30/812417730.db2.gz NLJPHRZXTLHOLD-ITDIGPHOSA-N 0 1 281.783 3.045 20 10 CGCDMN COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC001203663943 812422893 /nfs/dbraw/zinc/42/28/93/812422893.db2.gz HGQOKTAIACTRDW-CQSZACIVSA-N 0 1 283.799 3.435 20 10 CGCDMN COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC001203663943 812422898 /nfs/dbraw/zinc/42/28/98/812422898.db2.gz HGQOKTAIACTRDW-CQSZACIVSA-N 0 1 283.799 3.435 20 10 CGCDMN Cc1ccc(CN2CCCc3cc(O)c(O)cc3C2)s1 ZINC001204033707 812525975 /nfs/dbraw/zinc/52/59/75/812525975.db2.gz QQYFWJYUSCFSQE-UHFFFAOYSA-N 0 1 289.400 3.416 20 10 CGCDMN C[N@@H+](Cc1ccc(O)cc1O)[C@@H]1CCc2ccccc21 ZINC001204281806 812595826 /nfs/dbraw/zinc/59/58/26/812595826.db2.gz KRTREVUEVYSWSV-MRXNPFEDSA-N 0 1 269.344 3.217 20 10 CGCDMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204328792 812614664 /nfs/dbraw/zinc/61/46/64/812614664.db2.gz NQQTZSQNBDUFMF-ROUUACIJSA-N 0 1 286.419 3.040 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCc2occc2C1 ZINC001206076749 813192014 /nfs/dbraw/zinc/19/20/14/813192014.db2.gz GDNAMGPIVGWKTE-UHFFFAOYSA-N 0 1 279.286 3.212 20 10 CGCDMN COc1ccc2c(c1)c1c(n2C)CCN(C[C@H]2C[C@@H]2C)C1 ZINC001209421828 814024156 /nfs/dbraw/zinc/02/41/56/814024156.db2.gz PMTWTESFOWOBJE-QWHCGFSZSA-N 0 1 284.403 3.201 20 10 CGCDMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1O)[C@H]1CCc2ccccc21 ZINC001231453265 818102024 /nfs/dbraw/zinc/10/20/24/818102024.db2.gz KBYSGYWCZPXNMG-INIZCTEOSA-N 0 1 297.354 3.210 20 10 CGCDMN Cc1ccccc1C[N@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001231563065 818124690 /nfs/dbraw/zinc/12/46/90/818124690.db2.gz DQXAFPYESWKKIP-UHFFFAOYSA-N 0 1 285.343 3.031 20 10 CGCDMN COc1ccc(Br)c(CN(C)C(C)C)c1O ZINC001231548319 818124821 /nfs/dbraw/zinc/12/48/21/818124821.db2.gz RVJUDSZQKMZDBH-UHFFFAOYSA-N 0 1 288.185 3.004 20 10 CGCDMN CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1c(C)cc(C)cc1O ZINC001231849155 818188500 /nfs/dbraw/zinc/18/85/00/818188500.db2.gz OWTGIWUKNKDGBK-LRDDRELGSA-N 0 1 293.407 3.029 20 10 CGCDMN C[C@@]1(F)CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1F ZINC001231911028 818208487 /nfs/dbraw/zinc/20/84/87/818208487.db2.gz ZCXOTMQOHLGFGO-DGCLKSJQSA-N 0 1 275.726 3.318 20 10 CGCDMN C[C@@]1(F)CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1F ZINC001231911028 818208493 /nfs/dbraw/zinc/20/84/93/818208493.db2.gz ZCXOTMQOHLGFGO-DGCLKSJQSA-N 0 1 275.726 3.318 20 10 CGCDMN COCC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001231911919 818208570 /nfs/dbraw/zinc/20/85/70/818208570.db2.gz PSUKPCSHLDMOBD-CYBMUJFWSA-N 0 1 283.799 3.437 20 10 CGCDMN COc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232266085 818298971 /nfs/dbraw/zinc/29/89/71/818298971.db2.gz IOHNMISQXTTZSS-PHIMTYICSA-N 0 1 281.783 3.286 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232266085 818298977 /nfs/dbraw/zinc/29/89/77/818298977.db2.gz IOHNMISQXTTZSS-PHIMTYICSA-N 0 1 281.783 3.286 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232266085 818298982 /nfs/dbraw/zinc/29/89/82/818298982.db2.gz IOHNMISQXTTZSS-PHIMTYICSA-N 0 1 281.783 3.286 20 10 CGCDMN C[C@@H]1CN(Cc2cc(C(C)(C)C)ccc2O)C[C@@H](C)O1 ZINC001233283818 818566123 /nfs/dbraw/zinc/56/61/23/818566123.db2.gz XDOXPLJUFDUQPY-CHWSQXEVSA-N 0 1 277.408 3.299 20 10 CGCDMN C[C@H]1CCC[N@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415656 818613860 /nfs/dbraw/zinc/61/38/60/818613860.db2.gz DKRFOINRISLMBB-VIFPVBQESA-N 0 1 259.271 3.395 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCC3(CC3)C2)cccc1OC(F)(F)F ZINC001233736307 818694460 /nfs/dbraw/zinc/69/44/60/818694460.db2.gz HBXZTGPIJAKAPZ-UHFFFAOYSA-N 0 1 287.281 3.277 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC3(CC3)C2)cccc1OC(F)(F)F ZINC001233736307 818694465 /nfs/dbraw/zinc/69/44/65/818694465.db2.gz HBXZTGPIJAKAPZ-UHFFFAOYSA-N 0 1 287.281 3.277 20 10 CGCDMN CCc1ccc(CN2CC3(C2)CC(F)(F)CS3)c(O)c1 ZINC001236789662 819595424 /nfs/dbraw/zinc/59/54/24/819595424.db2.gz CVPNRIOIBUXQMC-UHFFFAOYSA-N 0 1 299.386 3.281 20 10 CGCDMN C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795545 819596839 /nfs/dbraw/zinc/59/68/39/819596839.db2.gz GFSSQSYTSODUCL-ZDUSSCGKSA-N 0 1 290.190 3.046 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC001236796505 819597392 /nfs/dbraw/zinc/59/73/92/819597392.db2.gz WNAJPNSLJNMIFR-PHIMTYICSA-N 0 1 281.783 3.286 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC001236796505 819597395 /nfs/dbraw/zinc/59/73/95/819597395.db2.gz WNAJPNSLJNMIFR-PHIMTYICSA-N 0 1 281.783 3.286 20 10 CGCDMN COc1cc([O-])c(C[NH+]2CCCCC2)c(Cl)c1 ZINC001236801433 819599380 /nfs/dbraw/zinc/59/93/80/819599380.db2.gz CMKVXOUZOXYQAK-UHFFFAOYSA-N 0 1 255.745 3.040 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])CC(C)(C)O ZINC001236800512 819599819 /nfs/dbraw/zinc/59/98/19/819599819.db2.gz VDNVSBXWHLQGDA-UHFFFAOYSA-N 0 1 292.206 3.292 20 10 CGCDMN CC[N@H+](Cc1c([O-])cc(OC)cc1Cl)C1CC1 ZINC001236799677 819599977 /nfs/dbraw/zinc/59/99/77/819599977.db2.gz VMUWBFYLGKXUQT-UHFFFAOYSA-N 0 1 255.745 3.039 20 10 CGCDMN CC[N@@H+](Cc1c([O-])cc(OC)cc1Cl)C1CC1 ZINC001236799677 819599983 /nfs/dbraw/zinc/59/99/83/819599983.db2.gz VMUWBFYLGKXUQT-UHFFFAOYSA-N 0 1 255.745 3.039 20 10 CGCDMN COc1ccc(C[N@H+]2CC[C@@H](OC(C)C)C2)c([O-])c1Cl ZINC001236807090 819601963 /nfs/dbraw/zinc/60/19/63/819601963.db2.gz MKHIQBZCGXMELL-GFCCVEGCSA-N 0 1 299.798 3.054 20 10 CGCDMN COc1ccc(CN2CCc3occc3C2)c(O)c1Cl ZINC001236805851 819603032 /nfs/dbraw/zinc/60/30/32/819603032.db2.gz GCWDBNOCYDDNMU-UHFFFAOYSA-N 0 1 293.750 3.206 20 10 CGCDMN CN1CC[N@@H+](Cc2cc3ccccc3cc2O)CC1(C)C ZINC001236830895 819612047 /nfs/dbraw/zinc/61/20/47/819612047.db2.gz DHCGURGBPOJTEB-UHFFFAOYSA-N 0 1 284.403 3.071 20 10 CGCDMN CC[N@H+](Cc1cc2ccccc2cc1[O-])C1CCN(C)CC1 ZINC001236838758 819616917 /nfs/dbraw/zinc/61/69/17/819616917.db2.gz BVGRDAIUBOZVFQ-UHFFFAOYSA-N 0 1 298.430 3.462 20 10 CGCDMN CC[N@@H+](Cc1cc2ccccc2cc1[O-])C1CCN(C)CC1 ZINC001236838758 819616922 /nfs/dbraw/zinc/61/69/22/819616922.db2.gz BVGRDAIUBOZVFQ-UHFFFAOYSA-N 0 1 298.430 3.462 20 10 CGCDMN CC(C)c1ccc(CN2CCOCC23CCC3)c(O)c1 ZINC001237047953 819649919 /nfs/dbraw/zinc/64/99/19/819649919.db2.gz BBWFGQAVAXLRJA-UHFFFAOYSA-N 0 1 275.392 3.271 20 10 CGCDMN CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC001237049831 819653026 /nfs/dbraw/zinc/65/30/26/819653026.db2.gz LKGTWHKKJMGSNG-ZIAGYGMSSA-N 0 1 275.392 3.413 20 10 CGCDMN CC(C)c1ccc(CN2C[C@@H](C)OC[C@H]2C)c(O)c1 ZINC001237056264 819654019 /nfs/dbraw/zinc/65/40/19/819654019.db2.gz VXGVGABQGOGUHK-CHWSQXEVSA-N 0 1 263.381 3.125 20 10 CGCDMN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCCC[C@H]1CO ZINC001237077487 819660200 /nfs/dbraw/zinc/66/02/00/819660200.db2.gz ICXBPUDCJKQUDV-VIFPVBQESA-N 0 1 290.190 3.046 20 10 CGCDMN C[C@@H]1COCC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078407 819662681 /nfs/dbraw/zinc/66/26/81/819662681.db2.gz RYIRAXYTXHVOQF-VIFPVBQESA-N 0 1 290.190 3.167 20 10 CGCDMN C[C@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237119041 819671982 /nfs/dbraw/zinc/67/19/82/819671982.db2.gz ADBIHQGPEJNWPD-VIFPVBQESA-N 0 1 257.736 3.417 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237119041 819671985 /nfs/dbraw/zinc/67/19/85/819671985.db2.gz ADBIHQGPEJNWPD-VIFPVBQESA-N 0 1 257.736 3.417 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237125977 819672952 /nfs/dbraw/zinc/67/29/52/819672952.db2.gz XMSNIHYVFBTVAU-DKCNOQQISA-N 0 1 273.710 3.117 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237125977 819672956 /nfs/dbraw/zinc/67/29/56/819672956.db2.gz XMSNIHYVFBTVAU-DKCNOQQISA-N 0 1 273.710 3.117 20 10 CGCDMN Cc1cccc(O)c1C[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001237486192 819762696 /nfs/dbraw/zinc/76/26/96/819762696.db2.gz WZJIZPAASVNWKR-ZDUSSCGKSA-N 0 1 273.298 3.270 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237617984 819787507 /nfs/dbraw/zinc/78/75/07/819787507.db2.gz WCSWVTRFMWDWNB-IINYFYTJSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CCC2(CC2)C1 ZINC001237933569 819886068 /nfs/dbraw/zinc/88/60/68/819886068.db2.gz CYEOFZOXXRPTCJ-UHFFFAOYSA-N 0 1 255.720 3.171 20 10 CGCDMN CC(C)Oc1cncc(CN(C)Cc2ccccc2O)c1 ZINC001238472050 820013125 /nfs/dbraw/zinc/01/31/25/820013125.db2.gz SQBPRHNRNPRRNN-UHFFFAOYSA-N 0 1 286.375 3.206 20 10 CGCDMN Oc1cc(Cl)ccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC001560798946 937236962 /nfs/dbraw/zinc/23/69/62/937236962.db2.gz SIRVTUYFLMMGNS-UHFFFAOYSA-N 0 1 295.810 3.438 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC001560798946 937236964 /nfs/dbraw/zinc/23/69/64/937236964.db2.gz SIRVTUYFLMMGNS-UHFFFAOYSA-N 0 1 295.810 3.438 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC001560798946 937236968 /nfs/dbraw/zinc/23/69/68/937236968.db2.gz SIRVTUYFLMMGNS-UHFFFAOYSA-N 0 1 295.810 3.438 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC001461896279 937604727 /nfs/dbraw/zinc/60/47/27/937604727.db2.gz DDWGUGUORZUNLW-ZDUSSCGKSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC001461896279 937604729 /nfs/dbraw/zinc/60/47/29/937604729.db2.gz DDWGUGUORZUNLW-ZDUSSCGKSA-N 0 1 251.757 3.420 20 10 CGCDMN C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(Cl)cc1[O-] ZINC001462213798 937625593 /nfs/dbraw/zinc/62/55/93/937625593.db2.gz CLMCCMCRTOSTSX-SWLSCSKDSA-N 0 1 294.826 3.104 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)cc1Cl ZINC001462531194 937648068 /nfs/dbraw/zinc/64/80/68/937648068.db2.gz CXXOLQJLKABBIH-CYBMUJFWSA-N 0 1 297.826 3.337 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC(C)(C)CC[C@@H]2CO)cc1Cl ZINC001462531194 937648070 /nfs/dbraw/zinc/64/80/70/937648070.db2.gz CXXOLQJLKABBIH-CYBMUJFWSA-N 0 1 297.826 3.337 20 10 CGCDMN CC(C)O[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001308851625 933190665 /nfs/dbraw/zinc/19/06/65/933190665.db2.gz SMCJOKIQPVTLQN-AWEZNQCLSA-N 0 1 283.799 3.435 20 10 CGCDMN CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001308851625 933190668 /nfs/dbraw/zinc/19/06/68/933190668.db2.gz SMCJOKIQPVTLQN-AWEZNQCLSA-N 0 1 283.799 3.435 20 10 CGCDMN CCC[C@H](C[NH2+]Cc1ccc(Cl)cc1[O-])OCC ZINC001308881641 933196578 /nfs/dbraw/zinc/19/65/78/933196578.db2.gz XUZNEAQFDNTACJ-CYBMUJFWSA-N 0 1 271.788 3.340 20 10 CGCDMN COc1cccnc1CN[C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001324551335 934523544 /nfs/dbraw/zinc/52/35/44/934523544.db2.gz PBRWPTLFKNKRAT-STQMWFEESA-N 0 1 298.386 3.442 20 10 CGCDMN CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001324555894 934523873 /nfs/dbraw/zinc/52/38/73/934523873.db2.gz YBYQUUAYKCLKLR-IBGZPJMESA-N 0 1 299.414 3.386 20 10 CGCDMN CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001324555894 934523880 /nfs/dbraw/zinc/52/38/80/934523880.db2.gz YBYQUUAYKCLKLR-IBGZPJMESA-N 0 1 299.414 3.386 20 10 CGCDMN Cc1nc(CN[C@@H](C)c2ccccc2O)c(C)s1 ZINC001333443446 935535700 /nfs/dbraw/zinc/53/57/00/935535700.db2.gz NSMNJZSHCACLPB-VIFPVBQESA-N 0 1 262.378 3.316 20 10 CGCDMN COc1ccc(C[N@H+]2C[C@H](C)CCC[C@H]2C)c(O)c1OC ZINC001474371034 937855421 /nfs/dbraw/zinc/85/54/21/937855421.db2.gz LGQNEANFCHXZBB-CHWSQXEVSA-N 0 1 293.407 3.420 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc1Cl ZINC001474390558 937856447 /nfs/dbraw/zinc/85/64/47/937856447.db2.gz HLGNVYQBIGVNBK-DOMZBBRYSA-N 0 1 297.826 3.337 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1Cl ZINC001474390558 937856449 /nfs/dbraw/zinc/85/64/49/937856449.db2.gz HLGNVYQBIGVNBK-DOMZBBRYSA-N 0 1 297.826 3.337 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC001474632105 937871445 /nfs/dbraw/zinc/87/14/45/937871445.db2.gz JAJPECJWUNEFLP-MNOVXSKESA-N 0 1 285.359 3.140 20 10 CGCDMN Cn1c(CN2Cc3cccc(O)c3C2)cc2ccccc21 ZINC001474677576 937874391 /nfs/dbraw/zinc/87/43/91/937874391.db2.gz QAQITMHSTPDQSU-UHFFFAOYSA-N 0 1 278.355 3.400 20 10 CGCDMN O=C(Nc1c2nonc2ccc1Cl)c1sccc1F ZINC001525082078 938047508 /nfs/dbraw/zinc/04/75/08/938047508.db2.gz YWLIQLQYJUFKEY-UHFFFAOYSA-N 0 1 297.698 3.329 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)N2CCCCC2)c(Cl)c1 ZINC001560284173 938250990 /nfs/dbraw/zinc/25/09/90/938250990.db2.gz HJDBJIHHHXWSCI-CYBMUJFWSA-N 0 1 296.842 3.318 20 10 CGCDMN CCOC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001560692088 938270576 /nfs/dbraw/zinc/27/05/76/938270576.db2.gz FMUMPRAODFJBHC-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN CCOC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001560692088 938270577 /nfs/dbraw/zinc/27/05/77/938270577.db2.gz FMUMPRAODFJBHC-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001573698764 962279772 /nfs/dbraw/zinc/27/97/72/962279772.db2.gz QAVZCDJTFNWAPJ-IUODEOHRSA-N 0 1 299.370 3.088 20 10 CGCDMN CCN(C)c1ccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1 ZINC001573875396 962280830 /nfs/dbraw/zinc/28/08/30/962280830.db2.gz NZQANLJKOCNUHM-UHFFFAOYSA-N 0 1 292.423 3.075 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC001588968958 963337685 /nfs/dbraw/zinc/33/76/85/963337685.db2.gz WBBGXFUOFRVOJP-ZDUSSCGKSA-N 0 1 291.391 3.202 20 10 CGCDMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1cccc(C)c1O)CC1CC1 ZINC001594787970 981832276 /nfs/dbraw/zinc/83/22/76/981832276.db2.gz QXJDGPLLJUREFA-KRWDZBQOSA-N 0 1 291.391 3.166 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])c1 ZINC001594423880 999584244 /nfs/dbraw/zinc/58/42/44/999584244.db2.gz JZLCDKJELWOVJH-WFASDCNBSA-N 0 1 291.391 3.201 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000169520463 346192681 /nfs/dbraw/zinc/19/26/81/346192681.db2.gz AOCYTOVTKNCQLT-ABAIWWIYSA-N 0 1 291.778 3.430 20 10 CGCDMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000290627181 346425407 /nfs/dbraw/zinc/42/54/07/346425407.db2.gz XRMNKWXZVPJQMR-AWEZNQCLSA-N 0 1 289.354 3.208 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])CC1CCC(=O)CC1 ZINC000295103938 283297476 /nfs/dbraw/zinc/29/74/76/283297476.db2.gz UNFFBRRFPBVYCJ-UHFFFAOYSA-N 0 1 275.392 3.364 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])CC1CCC(=O)CC1 ZINC000295103938 283297479 /nfs/dbraw/zinc/29/74/79/283297479.db2.gz UNFFBRRFPBVYCJ-UHFFFAOYSA-N 0 1 275.392 3.364 20 10 CGCDMN CN(C)c1ccc(CNCc2csc([N+](=O)[O-])c2)cc1 ZINC000037562630 369089194 /nfs/dbraw/zinc/08/91/94/369089194.db2.gz FVIGKEVEXSSAOK-UHFFFAOYSA-N 0 1 291.376 3.012 20 10 CGCDMN C[C@@H](NCc1cccc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000090851835 370069870 /nfs/dbraw/zinc/06/98/70/370069870.db2.gz LBHXLXBVUJPYCL-CQSZACIVSA-N 0 1 298.434 3.064 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1COc2ccccc21 ZINC000288482418 371740317 /nfs/dbraw/zinc/74/03/17/371740317.db2.gz GPSXQMKKTJPWAB-NSHDSACASA-N 0 1 289.762 3.311 20 10 CGCDMN C[C@H](CF)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000288354619 371735487 /nfs/dbraw/zinc/73/54/87/371735487.db2.gz CLBJLWKTVSHRRI-SECBINFHSA-N 0 1 278.293 3.219 20 10 CGCDMN CCCC[N@@H+](CCCO)Cc1cccc(Cl)c1[O-] ZINC000289178198 371752878 /nfs/dbraw/zinc/75/28/78/371752878.db2.gz AGASGUUXFWKTFJ-UHFFFAOYSA-N 0 1 271.788 3.030 20 10 CGCDMN Cc1ccc(O)c(CN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000289354085 371755437 /nfs/dbraw/zinc/75/54/37/371755437.db2.gz JMUWHHSSHNBNFU-HNNXBMFYSA-N 0 1 271.364 3.151 20 10 CGCDMN CC(C)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC000294142258 372592898 /nfs/dbraw/zinc/59/28/98/372592898.db2.gz UYHBHIYGKXQAMW-AWEZNQCLSA-N 0 1 283.799 3.293 20 10 CGCDMN CC(C)[NH+](CCN[C@@H]1CCc2cccc(O)c21)C(C)C ZINC000296012352 372992930 /nfs/dbraw/zinc/99/29/30/372992930.db2.gz OXJFISJFHRUDCD-OAHLLOKOSA-N 0 1 276.424 3.088 20 10 CGCDMN C[C@@H](NCc1cn2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000268698938 378092243 /nfs/dbraw/zinc/09/22/43/378092243.db2.gz AUONFZOBVFHRBY-CQSZACIVSA-N 0 1 294.402 3.251 20 10 CGCDMN COc1cccc(C[N@@H+](C)Cc2cc(C)ccc2O)c1 ZINC000271018746 378427952 /nfs/dbraw/zinc/42/79/52/378427952.db2.gz SOUDWMOYZNRDNC-UHFFFAOYSA-N 0 1 271.360 3.341 20 10 CGCDMN CCc1nnc([C@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)[nH]1 ZINC000273505240 378750038 /nfs/dbraw/zinc/75/00/38/378750038.db2.gz QXLRCLZIJXVCTG-RYUDHWBXSA-N 0 1 288.395 3.101 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000285302115 380145351 /nfs/dbraw/zinc/14/53/51/380145351.db2.gz VYZHVDDAMHCHFE-ZIAGYGMSSA-N 0 1 281.783 3.189 20 10 CGCDMN Cc1ccc(O)c(CN[C@@H](C)c2c(F)cncc2F)c1 ZINC000285613679 380150521 /nfs/dbraw/zinc/15/05/21/380150521.db2.gz XNJVTKJSEZJDHG-JTQLQIEISA-N 0 1 278.302 3.225 20 10 CGCDMN CC[C@@H]([NH2+]C1CC1)c1cc(Br)ccc1[O-] ZINC000022210893 171373668 /nfs/dbraw/zinc/37/36/68/171373668.db2.gz DMAAZUBPAKVORO-LLVKDONJSA-N 0 1 270.170 3.358 20 10 CGCDMN COc1ccc(O)c(CN(C)Cc2ccccc2F)c1 ZINC000179565976 261797253 /nfs/dbraw/zinc/79/72/53/261797253.db2.gz JHINEWBVLMUJNM-UHFFFAOYSA-N 0 1 275.323 3.172 20 10 CGCDMN CCOCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000184830618 262030764 /nfs/dbraw/zinc/03/07/64/262030764.db2.gz BFTUNFJBPGBXBF-JTQLQIEISA-N 0 1 257.761 3.123 20 10 CGCDMN COCC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185290287 262049293 /nfs/dbraw/zinc/04/92/93/262049293.db2.gz SJTYNCHNNDGDMT-UWVGGRQHSA-N 0 1 257.761 3.121 20 10 CGCDMN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c([O-])cccc1Cl ZINC000368043416 267141375 /nfs/dbraw/zinc/14/13/75/267141375.db2.gz PMAFSOSEYZTCNX-CHWSQXEVSA-N 0 1 294.826 3.104 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000371337194 267393230 /nfs/dbraw/zinc/39/32/30/267393230.db2.gz SYCZINFICFSNOY-UHFFFAOYSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000268983044 328188024 /nfs/dbraw/zinc/18/80/24/328188024.db2.gz RUJAEULKIRLANF-LLVKDONJSA-N 0 1 281.783 3.237 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1[O-] ZINC000051991394 327547992 /nfs/dbraw/zinc/54/79/92/327547992.db2.gz DXUPSTFYOZFZQZ-ZLIFDBKOSA-N 0 1 285.387 3.500 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000188249694 329367012 /nfs/dbraw/zinc/36/70/12/329367012.db2.gz MHDVGXDIBMXGTO-MRXNPFEDSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+]CCC1CC1 ZINC000164898362 331305338 /nfs/dbraw/zinc/30/53/38/331305338.db2.gz QOHWMYHILJLAFI-UHFFFAOYSA-N 0 1 270.170 3.044 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCSC2)c1[O-] ZINC000050133447 518278805 /nfs/dbraw/zinc/27/88/05/518278805.db2.gz UTUVWFVLOUFVRU-LBPRGKRZSA-N 0 1 299.823 3.186 20 10 CGCDMN CCC1(CO)CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000129821330 519844345 /nfs/dbraw/zinc/84/43/45/519844345.db2.gz LPHKVNJGHUKFDU-UHFFFAOYSA-N 0 1 283.799 3.030 20 10 CGCDMN CCOCc1cc(CNCc2occc2C)ccc1OC ZINC000291700023 520186234 /nfs/dbraw/zinc/18/62/34/520186234.db2.gz KATXTFMIVFRHMM-UHFFFAOYSA-N 0 1 289.375 3.423 20 10 CGCDMN CN(C)[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccco1 ZINC000083551360 522031158 /nfs/dbraw/zinc/03/11/58/522031158.db2.gz HCVCDHOZAADYDD-ZDUSSCGKSA-N 0 1 294.782 3.031 20 10 CGCDMN CN(C)c1ccc(CNCc2cc(F)ccc2F)cc1 ZINC000037233254 522210034 /nfs/dbraw/zinc/21/00/34/522210034.db2.gz DLSBWTDUARQEEQ-UHFFFAOYSA-N 0 1 276.330 3.321 20 10 CGCDMN Cc1cc(Cl)nc(CNCc2ccc3c(c2)CCO3)c1 ZINC000282107345 524918702 /nfs/dbraw/zinc/91/87/02/524918702.db2.gz TURNYORTQXUQDJ-UHFFFAOYSA-N 0 1 288.778 3.268 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000280191687 525486793 /nfs/dbraw/zinc/48/67/93/525486793.db2.gz UVMZRKFGJNJJRH-ZJUUUORDSA-N 0 1 271.813 3.449 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000278540517 525622777 /nfs/dbraw/zinc/62/27/77/525622777.db2.gz NYRITYCUWJLXJG-KWBADKCTSA-N 0 1 269.772 3.121 20 10 CGCDMN Cc1nccn1CCC[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000290354548 527408493 /nfs/dbraw/zinc/40/84/93/527408493.db2.gz GJUGKHHBMCTKMY-UHFFFAOYSA-N 0 1 293.798 3.073 20 10 CGCDMN CCC[C@@H](C(=O)OCC)N(CCC)Cc1ccccc1O ZINC000743870687 572694639 /nfs/dbraw/zinc/69/46/39/572694639.db2.gz ZUDZOBBHNHQWCB-HNNXBMFYSA-N 0 1 293.407 3.336 20 10 CGCDMN O=C([O-])C[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000387807676 599841290 /nfs/dbraw/zinc/84/12/90/599841290.db2.gz RFSNQVKLXUZSRP-AWEZNQCLSA-N 0 1 299.370 3.375 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCC(F)(F)F ZINC000090740061 618158146 /nfs/dbraw/zinc/15/81/46/618158146.db2.gz WCSGJHJWAFAABV-UHFFFAOYSA-N 0 1 253.651 3.088 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC000161842225 618722787 /nfs/dbraw/zinc/72/27/87/618722787.db2.gz VMMWPODUQLXCPK-MNOVXSKESA-N 0 1 279.355 3.212 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC000161842225 618722788 /nfs/dbraw/zinc/72/27/88/618722788.db2.gz VMMWPODUQLXCPK-MNOVXSKESA-N 0 1 279.355 3.212 20 10 CGCDMN CC(C)OCCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000228564283 618734035 /nfs/dbraw/zinc/73/40/35/618734035.db2.gz WXACJEHLQGOZDD-UHFFFAOYSA-N 0 1 271.788 3.340 20 10 CGCDMN C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000235344608 618770918 /nfs/dbraw/zinc/77/09/18/618770918.db2.gz IZJJGFALCQGCCC-GRYCIOLGSA-N 0 1 251.345 3.398 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])[C@@H](C)C1 ZINC000310601833 618813452 /nfs/dbraw/zinc/81/34/52/618813452.db2.gz BPYCOEZNGJWADE-GWCFXTLKSA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@@H](C)C1 ZINC000310601833 618813455 /nfs/dbraw/zinc/81/34/55/618813455.db2.gz BPYCOEZNGJWADE-GWCFXTLKSA-N 0 1 269.772 3.045 20 10 CGCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1cccc2c1OCO2 ZINC000924575546 618859981 /nfs/dbraw/zinc/85/99/81/618859981.db2.gz XGNMNVYKYIGQSD-ZDUSSCGKSA-N 0 1 298.386 3.332 20 10 CGCDMN C[C@@H]([NH2+]CCc1ccnn1C)c1ccc2ccccc2c1[O-] ZINC000184009287 619162586 /nfs/dbraw/zinc/16/25/86/619162586.db2.gz ZHNQECVRHRAMSR-CYBMUJFWSA-N 0 1 295.386 3.172 20 10 CGCDMN CCOC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000313480865 619175812 /nfs/dbraw/zinc/17/58/12/619175812.db2.gz GNFXQXBGFLPLQX-CYBMUJFWSA-N 0 1 283.799 3.437 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c(Cl)c1 ZINC000840939990 619231532 /nfs/dbraw/zinc/23/15/32/619231532.db2.gz SVLHIUUMQQIYGR-BLLLJJGKSA-N 0 1 295.810 3.401 20 10 CGCDMN COc1cc(C)cc(CNCc2nc(C)c(C)s2)c1O ZINC000894298377 619473418 /nfs/dbraw/zinc/47/34/18/619473418.db2.gz JZYOAHVKNJSFDB-UHFFFAOYSA-N 0 1 292.404 3.072 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CC[C@@H]1C(F)F ZINC000895433141 619825885 /nfs/dbraw/zinc/82/58/85/619825885.db2.gz UEAPCNLPGKDKIZ-MRVPVSSYSA-N 0 1 265.662 3.024 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000895581602 619856480 /nfs/dbraw/zinc/85/64/80/619856480.db2.gz CDQDQCLULGNUAX-SNVBAGLBSA-N 0 1 294.807 3.492 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000895581602 619856482 /nfs/dbraw/zinc/85/64/82/619856482.db2.gz CDQDQCLULGNUAX-SNVBAGLBSA-N 0 1 294.807 3.492 20 10 CGCDMN Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895847315 619895977 /nfs/dbraw/zinc/89/59/77/619895977.db2.gz UFZLXEKFMISPTB-IAQYHMDHSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895847315 619895980 /nfs/dbraw/zinc/89/59/80/619895980.db2.gz UFZLXEKFMISPTB-IAQYHMDHSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895847315 619895982 /nfs/dbraw/zinc/89/59/82/619895982.db2.gz UFZLXEKFMISPTB-IAQYHMDHSA-N 0 1 281.783 3.047 20 10 CGCDMN Oc1cccc(Cl)c1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895847318 619896152 /nfs/dbraw/zinc/89/61/52/619896152.db2.gz UFZLXEKFMISPTB-XHDPSFHLSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895847318 619896155 /nfs/dbraw/zinc/89/61/55/619896155.db2.gz UFZLXEKFMISPTB-XHDPSFHLSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895847318 619896156 /nfs/dbraw/zinc/89/61/56/619896156.db2.gz UFZLXEKFMISPTB-XHDPSFHLSA-N 0 1 281.783 3.047 20 10 CGCDMN CCC(CC)(CCO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185621381 625399699 /nfs/dbraw/zinc/39/96/99/625399699.db2.gz BGLQYNKUUMMMAI-LBPRGKRZSA-N 0 1 283.387 3.371 20 10 CGCDMN CC[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(Cl)ccc1[O-] ZINC000903286645 621669572 /nfs/dbraw/zinc/66/95/72/621669572.db2.gz LTOWMKFGOYQJFG-GUHREWKASA-N 0 1 293.794 3.262 20 10 CGCDMN Cc1ccc(O)c([C@@H](C)N[C@H](c2ncccn2)C2CC2)c1 ZINC000903327830 621701839 /nfs/dbraw/zinc/70/18/39/621701839.db2.gz ZPJFEKJSUZEUGR-WBMJQRKESA-N 0 1 283.375 3.293 20 10 CGCDMN Cc1ccc(O)c(CNCc2c(F)cccc2F)c1 ZINC000083458545 625522878 /nfs/dbraw/zinc/52/28/78/625522878.db2.gz RLTRUXYZYMAEMY-UHFFFAOYSA-N 0 1 263.287 3.269 20 10 CGCDMN C[C@H]1CCC[C@@](CNCc2cc(F)ccc2O)([NH+](C)C)C1 ZINC000226585987 622986173 /nfs/dbraw/zinc/98/61/73/622986173.db2.gz HDXUCGZDJZCTBM-SUMWQHHRSA-N 0 1 294.414 3.131 20 10 CGCDMN C[C@H]([NH2+]CC1(O)CCC1)c1ccc2ccccc2c1[O-] ZINC000168763159 623013877 /nfs/dbraw/zinc/01/38/77/623013877.db2.gz YHCPKEZMOPOOST-LBPRGKRZSA-N 0 1 271.360 3.111 20 10 CGCDMN CS[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000230698609 623263807 /nfs/dbraw/zinc/26/38/07/623263807.db2.gz FFLGAYRLQSBMQM-RYUDHWBXSA-N 0 1 271.813 3.419 20 10 CGCDMN CC(C)C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)N(C)C ZINC000083551790 625647108 /nfs/dbraw/zinc/64/71/08/625647108.db2.gz CNIHYLSCXOYATN-LBPRGKRZSA-N 0 1 284.831 3.112 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2cnc3ccccn23)cc1 ZINC000152861707 623725673 /nfs/dbraw/zinc/72/56/73/623725673.db2.gz OVGRVRTVNLZNQX-UHFFFAOYSA-N 0 1 294.402 3.032 20 10 CGCDMN CCc1cnc(CN[C@H](C)c2ccccc2O)s1 ZINC000183535877 625087899 /nfs/dbraw/zinc/08/78/99/625087899.db2.gz ILSJIVGNWVBRQB-SNVBAGLBSA-N 0 1 262.378 3.262 20 10 CGCDMN CCc1noc(C)c1CNCc1ccc2c(c1)CCCO2 ZINC000922146534 625972991 /nfs/dbraw/zinc/97/29/91/625972991.db2.gz SRPIJDRPWXWGAQ-UHFFFAOYSA-N 0 1 286.375 3.160 20 10 CGCDMN C[C@@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCCCO1 ZINC000922820703 626051566 /nfs/dbraw/zinc/05/15/66/626051566.db2.gz RMDGXETVKQCBHB-AWEZNQCLSA-N 0 1 269.772 3.094 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc(Cl)c1[O-] ZINC000806138896 626360704 /nfs/dbraw/zinc/36/07/04/626360704.db2.gz DLVQAEUKKQEJCB-WFASDCNBSA-N 0 1 296.842 3.428 20 10 CGCDMN C[C@@H]([NH2+]CCCN1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000756363250 626696830 /nfs/dbraw/zinc/69/68/30/626696830.db2.gz PRWIRWNBKKZYMS-GFCCVEGCSA-N 0 1 298.377 3.197 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000756611567 626720346 /nfs/dbraw/zinc/72/03/46/626720346.db2.gz WNJLWYACMTZJIE-BYNQJWBRSA-N 0 1 293.382 3.220 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCO)c2c1c(F)ccc2[O-] ZINC000756619895 626721123 /nfs/dbraw/zinc/72/11/23/626721123.db2.gz ZAXYZZQJHJGKMV-CMPLNLGQSA-N 0 1 281.371 3.078 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]C2CCC(C)(O)CC2)c2c1c(F)ccc2[O-] ZINC000756637141 626723093 /nfs/dbraw/zinc/72/30/93/626723093.db2.gz ZRUXUDLBPBFEBI-JXBBEZQWSA-N 0 1 293.382 3.363 20 10 CGCDMN COC1CCC(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000756641854 626723463 /nfs/dbraw/zinc/72/34/63/626723463.db2.gz JCKBYXJVCRYXEH-DCBWTQNWSA-N 0 1 281.371 3.387 20 10 CGCDMN CCN(Cc1cc(Cl)cc(F)c1O)CC(F)F ZINC000757939578 626815745 /nfs/dbraw/zinc/81/57/45/626815745.db2.gz OKXRNVQUMZGGIB-UHFFFAOYSA-N 0 1 267.678 3.272 20 10 CGCDMN Cc1ncc([C@H](C)NCc2ccc3c(c2)CCO3)s1 ZINC000761433878 627041058 /nfs/dbraw/zinc/04/10/58/627041058.db2.gz FSYVZIXUYBUCLZ-JTQLQIEISA-N 0 1 274.389 3.237 20 10 CGCDMN C/C=C/C[C@H](NCc1cccc(Cl)c1O)C(=O)OCC ZINC000763358762 627153931 /nfs/dbraw/zinc/15/39/31/627153931.db2.gz MOLNAVNBTQAIEO-LQPUYASZSA-N 0 1 297.782 3.033 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000766222054 627304491 /nfs/dbraw/zinc/30/44/91/627304491.db2.gz DCKLZHRMOFQRHH-OAHLLOKOSA-N 0 1 294.826 3.152 20 10 CGCDMN COc1cc(C)cc(CN(Cc2cccnc2)C2CC2)c1O ZINC000835658345 634575990 /nfs/dbraw/zinc/57/59/90/634575990.db2.gz AZBOVZABDROSMB-UHFFFAOYSA-N 0 1 298.386 3.269 20 10 CGCDMN CCOc1ccc(CN(C)Cc2ccco2)c(O)c1 ZINC000768187049 627466993 /nfs/dbraw/zinc/46/69/93/627466993.db2.gz OTPWXNJRNBTPBR-UHFFFAOYSA-N 0 1 261.321 3.016 20 10 CGCDMN CCC(CC)C[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439718 627480084 /nfs/dbraw/zinc/48/00/84/627480084.db2.gz MSWLKCBGXDJQDK-INIZCTEOSA-N 0 1 293.407 3.076 20 10 CGCDMN CCC(CC)C[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439718 627480087 /nfs/dbraw/zinc/48/00/87/627480087.db2.gz MSWLKCBGXDJQDK-INIZCTEOSA-N 0 1 293.407 3.076 20 10 CGCDMN Oc1ccccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000770509299 627623613 /nfs/dbraw/zinc/62/36/13/627623613.db2.gz KRTAAFKLACLFJQ-HNNXBMFYSA-N 0 1 254.333 3.124 20 10 CGCDMN CCc1nc(CN(CC(C)C)c2ccc(OC)cc2)n[nH]1 ZINC000771762503 627731241 /nfs/dbraw/zinc/73/12/41/627731241.db2.gz KIXVBCWRNCOOPY-UHFFFAOYSA-N 0 1 288.395 3.038 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC[C@@H]2C)c1[O-] ZINC000771791414 627731633 /nfs/dbraw/zinc/73/16/33/627731633.db2.gz LCPHEVXSFHBWTE-ZUZCIYMTSA-N 0 1 279.355 3.402 20 10 CGCDMN CCC1(O)CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000771876438 627738935 /nfs/dbraw/zinc/73/89/35/627738935.db2.gz XLWUNCKUEYHEAA-UHFFFAOYSA-N 0 1 283.799 3.219 20 10 CGCDMN CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000771893751 627742244 /nfs/dbraw/zinc/74/22/44/627742244.db2.gz QLWCQPIJPCZRJX-UKRRQHHQSA-N 0 1 283.799 3.339 20 10 CGCDMN CN(Cc1cn[nH]c1)Cc1ccc(N2CCCCC2)cc1 ZINC000771934830 627746319 /nfs/dbraw/zinc/74/63/19/627746319.db2.gz AVUACXWVQQXSBZ-UHFFFAOYSA-N 0 1 284.407 3.032 20 10 CGCDMN CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC(C)C ZINC000774838120 628036838 /nfs/dbraw/zinc/03/68/38/628036838.db2.gz ASPCJNZHCXLRMN-UHFFFAOYSA-N 0 1 296.367 3.177 20 10 CGCDMN CCC[C@]1(CO)CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000775175364 628068593 /nfs/dbraw/zinc/06/85/93/628068593.db2.gz HTRVLXUPQBRYLW-OAHLLOKOSA-N 0 1 283.799 3.173 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775499359 628100744 /nfs/dbraw/zinc/10/07/44/628100744.db2.gz RDYFMMBAQQAZCG-ZWNOBZJWSA-N 0 1 270.804 3.036 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775493944 628101225 /nfs/dbraw/zinc/10/12/25/628101225.db2.gz WUKMGSLSOJHYII-GJZGRUSLSA-N 0 1 296.842 3.427 20 10 CGCDMN CCCCC[N@@H+](CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775648087 628119024 /nfs/dbraw/zinc/11/90/24/628119024.db2.gz QKEDWAJLUDBJEV-UHFFFAOYSA-N 0 1 289.778 3.169 20 10 CGCDMN COc1cc(F)cc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000776251911 628184802 /nfs/dbraw/zinc/18/48/02/628184802.db2.gz BYXOUSQBIHEUGY-UHFFFAOYSA-N 0 1 295.741 3.483 20 10 CGCDMN C[C@@H]1c2ccccc2OCCN1Cc1cc(F)ccc1O ZINC000778999662 628381536 /nfs/dbraw/zinc/38/15/36/628381536.db2.gz JGILZSMBLWJTTJ-GFCCVEGCSA-N 0 1 287.334 3.487 20 10 CGCDMN Cc1cc([C@@H]2CCCN2Cc2cc(F)ccc2O)on1 ZINC000779000164 628382934 /nfs/dbraw/zinc/38/29/34/628382934.db2.gz QVVVJEYQGGVECY-ZDUSSCGKSA-N 0 1 276.311 3.165 20 10 CGCDMN CCN(CC)c1ccc(C[N@@H+]2CC=CCC2)cc1F ZINC000779159386 628391796 /nfs/dbraw/zinc/39/17/96/628391796.db2.gz HRYHOHGRSCFYTI-UHFFFAOYSA-N 0 1 262.372 3.434 20 10 CGCDMN CCN(CC)c1ccc(CN2CC=CCC2)cc1F ZINC000779159386 628391799 /nfs/dbraw/zinc/39/17/99/628391799.db2.gz HRYHOHGRSCFYTI-UHFFFAOYSA-N 0 1 262.372 3.434 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](C)OC)c1cc(Cl)ccc1[O-] ZINC000785573126 628871773 /nfs/dbraw/zinc/87/17/73/628871773.db2.gz NRIBKEPLQPFBIJ-CABZTGNLSA-N 0 1 257.761 3.121 20 10 CGCDMN CO[C@H](C)C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C(C)C ZINC000792166509 629342893 /nfs/dbraw/zinc/34/28/93/629342893.db2.gz SCXQEZXEFRULIE-SNVBAGLBSA-N 0 1 289.778 3.430 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000792171086 629343764 /nfs/dbraw/zinc/34/37/64/629343764.db2.gz XPVSYPILLJPDQE-GWCFXTLKSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCCSCC1 ZINC000792173909 629345178 /nfs/dbraw/zinc/34/51/78/629345178.db2.gz LULGFKSNMAONLO-UHFFFAOYSA-N 0 1 275.776 3.124 20 10 CGCDMN CCn1ccc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])c1 ZINC000792182376 629345842 /nfs/dbraw/zinc/34/58/42/629345842.db2.gz CXMVAGAQADKTMP-UHFFFAOYSA-N 0 1 278.783 3.499 20 10 CGCDMN CC[C@@]1(C)CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000792179111 629346039 /nfs/dbraw/zinc/34/60/39/629346039.db2.gz HIJAKCZHISFKEZ-AWEZNQCLSA-N 0 1 287.762 3.186 20 10 CGCDMN CC[C@@H](C)[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000862387182 629360042 /nfs/dbraw/zinc/36/00/42/629360042.db2.gz IJGCUEYQFKJCLW-SECBINFHSA-N 0 1 292.206 3.292 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccns1 ZINC000862538686 629394691 /nfs/dbraw/zinc/39/46/91/629394691.db2.gz CNVPGQDIBNCVMX-LBPRGKRZSA-N 0 1 275.421 3.368 20 10 CGCDMN C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@H](C2CC2)O1 ZINC000793215267 629429701 /nfs/dbraw/zinc/42/97/01/629429701.db2.gz SJPWZBIQFMAQAQ-XPTSAGLGSA-N 0 1 299.773 3.184 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[NH+](C1CC1)C1CC1 ZINC000863302713 629528784 /nfs/dbraw/zinc/52/87/84/629528784.db2.gz KDVRBEWYDZKQLZ-UHFFFAOYSA-N 0 1 254.333 3.067 20 10 CGCDMN COc1cc(NCc2ccc(F)c(F)c2O)cc(OC)c1 ZINC000864019253 629727410 /nfs/dbraw/zinc/72/74/10/629727410.db2.gz WZJRGWDZZLYBQF-UHFFFAOYSA-N 0 1 295.285 3.300 20 10 CGCDMN C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000797066937 629881422 /nfs/dbraw/zinc/88/14/22/629881422.db2.gz VHXXMRMIOKVYGZ-PTRXPTGYSA-N 0 1 271.813 3.448 20 10 CGCDMN C[C@H](NC1(C(F)F)CC1)c1cc(F)cc(F)c1O ZINC000800502022 630289295 /nfs/dbraw/zinc/28/92/95/630289295.db2.gz KEUGYVOSWYZQOX-LURJTMIESA-N 0 1 263.234 3.119 20 10 CGCDMN CC[C@H]([NH2+]CC1=CCCOC1)c1cc(Cl)ccc1[O-] ZINC000806177764 630553383 /nfs/dbraw/zinc/55/33/83/630553383.db2.gz JAVXFHDSWAAAHW-AWEZNQCLSA-N 0 1 281.783 3.433 20 10 CGCDMN CS[C@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807835668 630599793 /nfs/dbraw/zinc/59/97/93/630599793.db2.gz ZGNCVTPFIJISRC-ZCFIWIBFSA-N 0 1 294.203 3.067 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](CC)CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208523 630853853 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ZINC000816617422 632025210 /nfs/dbraw/zinc/02/52/10/632025210.db2.gz YTLDGKCPYBKAFE-INIZCTEOSA-N 0 1 293.370 3.189 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@H](n3cccn3)C2)ccc2ccccc21 ZINC000816617422 632025216 /nfs/dbraw/zinc/02/52/16/632025216.db2.gz YTLDGKCPYBKAFE-INIZCTEOSA-N 0 1 293.370 3.189 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(Br)ccc1[O-] ZINC000818355498 632312749 /nfs/dbraw/zinc/31/27/49/632312749.db2.gz GYSHMIDLUBOQMT-PRHODGIISA-N 0 1 282.181 3.358 20 10 CGCDMN COC(C)(C)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000865754407 632878696 /nfs/dbraw/zinc/87/86/96/632878696.db2.gz HRAFBMNURPSVEW-UHFFFAOYSA-N 0 1 271.788 3.259 20 10 CGCDMN Cc1cccc(CN(C)Cc2ccccc2O)c1F ZINC000823408845 633099563 /nfs/dbraw/zinc/09/95/63/633099563.db2.gz RSELREBWIXHIKL-UHFFFAOYSA-N 0 1 259.324 3.472 20 10 CGCDMN CC[C@H](NCc1c(O)ccc(Cl)c1F)C(F)F ZINC000824510501 633251855 /nfs/dbraw/zinc/25/18/55/633251855.db2.gz VHTCDKQZXSNDRB-QMMMGPOBSA-N 0 1 267.678 3.318 20 10 CGCDMN COC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000825294694 633342592 /nfs/dbraw/zinc/34/25/92/633342592.db2.gz WRLMGFLUOOSESN-SNVBAGLBSA-N 0 1 287.762 3.186 20 10 CGCDMN CC[C@]1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCOC1 ZINC000825685772 633374598 /nfs/dbraw/zinc/37/45/98/633374598.db2.gz LZBPMOAIFHRENH-AWEZNQCLSA-N 0 1 269.772 3.013 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000825774561 633381554 /nfs/dbraw/zinc/38/15/54/633381554.db2.gz YLMSKEOZJAZVSZ-AAEUAGOBSA-N 0 1 283.799 3.353 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000825774561 633381556 /nfs/dbraw/zinc/38/15/56/633381556.db2.gz YLMSKEOZJAZVSZ-AAEUAGOBSA-N 0 1 283.799 3.353 20 10 CGCDMN Cc1cc(O)c(CN2CC[C@H](OC(F)F)C2)cc1Cl ZINC000825804333 633382259 /nfs/dbraw/zinc/38/22/59/633382259.db2.gz ZPOUOPZVCMVEMG-JTQLQIEISA-N 0 1 291.725 3.168 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1Cl ZINC000826011209 633396402 /nfs/dbraw/zinc/39/64/02/633396402.db2.gz BBYUUTAFDIYZCG-SNVBAGLBSA-N 0 1 292.766 3.305 20 10 CGCDMN Cc1cc(O)c(CN[C@H]2C[C@H](C)n3ccnc32)cc1Cl ZINC000826083840 633404240 /nfs/dbraw/zinc/40/42/40/633404240.db2.gz NIZPHPVPKWTWLL-GWCFXTLKSA-N 0 1 291.782 3.346 20 10 CGCDMN COc1cncc(/C=C/CC[N@@H+](C)Cc2ccccc2O)c1 ZINC000828062577 633556032 /nfs/dbraw/zinc/55/60/32/633556032.db2.gz KSYIEWGPQNSIDD-FNORWQNLSA-N 0 1 298.386 3.331 20 10 CGCDMN Cc1cc(CN(C)Cc2cn[nH]c2)ccc1N1CCCCC1 ZINC000828358518 633608208 /nfs/dbraw/zinc/60/82/08/633608208.db2.gz REEGYPYBUWANMJ-UHFFFAOYSA-N 0 1 298.434 3.340 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN[C@H]1C[C@@H](C)n2ccnc21 ZINC000834588397 634192179 /nfs/dbraw/zinc/19/21/79/634192179.db2.gz BMSRWNLOXMBBNQ-CJNGLKHVSA-N 0 1 284.407 3.053 20 10 CGCDMN CCN(C)c1ccc([C@H](C)N[C@@H]2CCn3ccnc32)cc1 ZINC000834835771 634253160 /nfs/dbraw/zinc/25/31/60/634253160.db2.gz JKBOXZIWSPFJKB-XJKSGUPXSA-N 0 1 284.407 3.135 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)N[C@@H](C)c2ccn(C)n2)c1O ZINC000840815893 635057937 /nfs/dbraw/zinc/05/79/37/635057937.db2.gz QQLAVYFFXPSXKZ-QWRGUYRKSA-N 0 1 293.798 3.499 20 10 CGCDMN COCC[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000840836247 635061084 /nfs/dbraw/zinc/06/10/84/635061084.db2.gz WLVJGKRULQHRPR-GHMZBOCLSA-N 0 1 271.788 3.369 20 10 CGCDMN CCN(CC)c1ccc(CNc2nccn2CC)cc1 ZINC000840886295 635074063 /nfs/dbraw/zinc/07/40/63/635074063.db2.gz AUMMUXQYXRBBQX-UHFFFAOYSA-N 0 1 272.396 3.361 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2(O)CCCCC2)c(Cl)c1 ZINC000840886784 635075556 /nfs/dbraw/zinc/07/55/56/635075556.db2.gz CIXNDRALRUDHBK-UHFFFAOYSA-N 0 1 283.799 3.139 20 10 CGCDMN COCC1CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840914257 635078889 /nfs/dbraw/zinc/07/88/89/635078889.db2.gz RWCBPKLUAICRQU-UHFFFAOYSA-N 0 1 283.799 3.212 20 10 CGCDMN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000877540277 635079124 /nfs/dbraw/zinc/07/91/24/635079124.db2.gz VHUIEXWCPBUDOT-LBPRGKRZSA-N 0 1 299.361 3.450 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c(Cl)c1 ZINC000840904277 635079288 /nfs/dbraw/zinc/07/92/88/635079288.db2.gz IJKLUDXMXCIETA-NEPJUHHUSA-N 0 1 294.826 3.069 20 10 CGCDMN CCOc1ncccc1CNCc1ccc(N(C)C)cc1C ZINC000840936251 635085413 /nfs/dbraw/zinc/08/54/13/635085413.db2.gz HPQDUODNGBGWNC-UHFFFAOYSA-N 0 1 299.418 3.145 20 10 CGCDMN CO[C@@H]1C[N@H+](Cc2c([O-])cc(C)cc2Cl)CC[C@H]1C ZINC000840940126 635087370 /nfs/dbraw/zinc/08/73/70/635087370.db2.gz UWZFFLCAGZHEMN-IAQYHMDHSA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@@H]1C[N@@H+](Cc2c([O-])cc(C)cc2Cl)CC[C@H]1C ZINC000840940126 635087371 /nfs/dbraw/zinc/08/73/71/635087371.db2.gz UWZFFLCAGZHEMN-IAQYHMDHSA-N 0 1 283.799 3.211 20 10 CGCDMN CC1(C)C[C@@H](O)C[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877753377 635182499 /nfs/dbraw/zinc/18/24/99/635182499.db2.gz YHZNLIGADCPYML-OAHLLOKOSA-N 0 1 285.387 3.138 20 10 CGCDMN CC1(C)C[C@@H](O)C[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000877753377 635182507 /nfs/dbraw/zinc/18/25/07/635182507.db2.gz YHZNLIGADCPYML-OAHLLOKOSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H](NCc1nc(Cl)cs1)c1ccccc1O ZINC000877758411 635187272 /nfs/dbraw/zinc/18/72/72/635187272.db2.gz YZCXUAFKVDXVCY-QMMMGPOBSA-N 0 1 268.769 3.353 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1[O-] ZINC000841748185 635223890 /nfs/dbraw/zinc/22/38/90/635223890.db2.gz IHFRHMQYLBBWDF-RNCFNFMXSA-N 0 1 291.782 3.497 20 10 CGCDMN CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747543 635224032 /nfs/dbraw/zinc/22/40/32/635224032.db2.gz RCFRFBQCUBIBHJ-CMPLNLGQSA-N 0 1 271.788 3.103 20 10 CGCDMN CCN(CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841747405 635224499 /nfs/dbraw/zinc/22/44/99/635224499.db2.gz QFUPSRFEROAVOS-NSHDSACASA-N 0 1 282.815 3.181 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H]1C ZINC000878150426 635379021 /nfs/dbraw/zinc/37/90/21/635379021.db2.gz DCHPKFQNWPQRKZ-UONOGXRCSA-N 0 1 263.381 3.029 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H]1C ZINC000878150426 635379027 /nfs/dbraw/zinc/37/90/27/635379027.db2.gz DCHPKFQNWPQRKZ-UONOGXRCSA-N 0 1 263.381 3.029 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CCOC[C@H]1C1CCC1 ZINC000843428389 635672847 /nfs/dbraw/zinc/67/28/47/635672847.db2.gz IASNBNVORRTMLF-ZDUSSCGKSA-N 0 1 299.773 3.186 20 10 CGCDMN C[C@H]1CC2(C[N@@H+]1Cc1cc(Cl)ccc1[O-])CCOCC2 ZINC000843432583 635674600 /nfs/dbraw/zinc/67/46/00/635674600.db2.gz ZASRVRIOMPKIEA-LBPRGKRZSA-N 0 1 295.810 3.437 20 10 CGCDMN C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1[O-])CCOCC2 ZINC000843432583 635674602 /nfs/dbraw/zinc/67/46/02/635674602.db2.gz ZASRVRIOMPKIEA-LBPRGKRZSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000844907680 635981244 /nfs/dbraw/zinc/98/12/44/635981244.db2.gz LSMDVTNLRILATR-LBPRGKRZSA-N 0 1 288.778 3.172 20 10 CGCDMN CC[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000846054794 636139200 /nfs/dbraw/zinc/13/92/00/636139200.db2.gz GDLHRBHDWIFRJP-SMDDNHRTSA-N 0 1 283.799 3.340 20 10 CGCDMN C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)C2(CCC2)CO1 ZINC000846067563 636140586 /nfs/dbraw/zinc/14/05/86/636140586.db2.gz SZBMRLGATTYSMM-JTQLQIEISA-N 0 1 299.773 3.328 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C2(CCC2)CO1 ZINC000846067060 636140811 /nfs/dbraw/zinc/14/08/11/636140811.db2.gz MEDIROPFABEUOD-NSHDSACASA-N 0 1 281.783 3.189 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCC[C@H](F)C1 ZINC000846121207 636147975 /nfs/dbraw/zinc/14/79/75/636147975.db2.gz WHXPFLONHZPRRY-VIFPVBQESA-N 0 1 261.699 3.119 20 10 CGCDMN CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000883272273 636643008 /nfs/dbraw/zinc/64/30/08/636643008.db2.gz INTQZDARWXWLKN-NHCYSSNCSA-N 0 1 269.772 3.121 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CC2(CC2(F)F)C1 ZINC000848920924 636692995 /nfs/dbraw/zinc/69/29/95/636692995.db2.gz JJOYGAGGFRXDEW-UHFFFAOYSA-N 0 1 277.673 3.026 20 10 CGCDMN CC(C)C[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000132526920 636817032 /nfs/dbraw/zinc/81/70/32/636817032.db2.gz XQMOOTPQMFDHHA-UHFFFAOYSA-N 0 1 272.186 3.243 20 10 CGCDMN Cc1cc(C)n(CCC[NH2+]Cc2cc(Cl)ccc2[O-])n1 ZINC000134225471 637007093 /nfs/dbraw/zinc/00/70/93/637007093.db2.gz HIIBCWNKXQYQKR-UHFFFAOYSA-N 0 1 293.798 3.039 20 10 CGCDMN C[C@@H](O)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850419135 637053982 /nfs/dbraw/zinc/05/39/82/637053982.db2.gz BVOVALDKPSINFT-BDJLRTHQSA-N 0 1 291.778 3.257 20 10 CGCDMN CC[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1ccc(C)cc1O ZINC000850498760 637091439 /nfs/dbraw/zinc/09/14/39/637091439.db2.gz CRANZYVNLVPJPD-FPMFFAJLSA-N 0 1 286.379 3.039 20 10 CGCDMN C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc2ccccc2c1[O-] ZINC000850545142 637116037 /nfs/dbraw/zinc/11/60/37/637116037.db2.gz FDQBMFFSSOYALB-AFAVFJNCSA-N 0 1 297.398 3.500 20 10 CGCDMN Cc1ccc([C@@H](C)N[C@H](C)c2nccn2C)c(O)c1C ZINC000850571800 637128711 /nfs/dbraw/zinc/12/87/11/637128711.db2.gz AZXNAMDIIRGEIP-CHWSQXEVSA-N 0 1 273.380 3.154 20 10 CGCDMN Cc1ccc([C@H](C)N[C@H](C)c2nccn2C)c(O)c1C ZINC000850571802 637128889 /nfs/dbraw/zinc/12/88/89/637128889.db2.gz AZXNAMDIIRGEIP-QWHCGFSZSA-N 0 1 273.380 3.154 20 10 CGCDMN C[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1nccn1C ZINC000850573086 637129919 /nfs/dbraw/zinc/12/99/19/637129919.db2.gz UDPBIOXJEXUZQB-QWHCGFSZSA-N 0 1 299.418 3.416 20 10 CGCDMN CCSCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000300934641 637856364 /nfs/dbraw/zinc/85/63/64/637856364.db2.gz MYZFZJWSYICKPG-UHFFFAOYSA-N 0 1 259.802 3.278 20 10 CGCDMN CC(C)=CCNCc1cc(F)c(N(C)C)cc1F ZINC000858160004 638640777 /nfs/dbraw/zinc/64/07/77/638640777.db2.gz NCNATJAJJXGHEF-UHFFFAOYSA-N 0 1 254.324 3.087 20 10 CGCDMN CCC(F)(F)CN[C@H](C)c1cc(F)cc(F)c1O ZINC000858507059 638749099 /nfs/dbraw/zinc/74/90/99/638749099.db2.gz KNCJOSVADYUABC-SSDOTTSWSA-N 0 1 265.250 3.366 20 10 CGCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)c1ncco1 ZINC000926594430 638789415 /nfs/dbraw/zinc/78/94/15/638789415.db2.gz BPTARJZFFRYIPC-ZIAGYGMSSA-N 0 1 287.407 3.331 20 10 CGCDMN CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000858592688 638999128 /nfs/dbraw/zinc/99/91/28/638999128.db2.gz INTQZDARWXWLKN-JBLDHEPKSA-N 0 1 269.772 3.121 20 10 CGCDMN CSC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000193647304 640481741 /nfs/dbraw/zinc/48/17/41/640481741.db2.gz RHYKGGXYIHLQIR-UHFFFAOYSA-N 0 1 271.813 3.421 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H](C)O1 ZINC000245645034 640629690 /nfs/dbraw/zinc/62/96/90/640629690.db2.gz FKOPCTOYMILHOC-ZYHUDNBSSA-N 0 1 269.772 3.045 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000113318459 640974737 /nfs/dbraw/zinc/97/47/37/640974737.db2.gz KKUNHSUOKLAYIY-OAHLLOKOSA-N 0 1 295.741 3.008 20 10 CGCDMN Cc1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)cn1 ZINC000113341155 640976984 /nfs/dbraw/zinc/97/69/84/640976984.db2.gz ZCAZRGGRJWLURK-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN Cc1cc(CNCc2ccnn2C)c(C)n1-c1ccccc1 ZINC000316004824 799239973 /nfs/dbraw/zinc/23/99/73/799239973.db2.gz FBFZMTORAPZYBP-UHFFFAOYSA-N 0 1 294.402 3.117 20 10 CGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1CCCCO1 ZINC000379184709 799347996 /nfs/dbraw/zinc/34/79/96/799347996.db2.gz QRCNIZKTWMJWHM-IINYFYTJSA-N 0 1 269.772 3.093 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C(C)(C)C)c1[O-] ZINC000382172405 799393508 /nfs/dbraw/zinc/39/35/08/799393508.db2.gz VJQBFDKDZFTQKE-UHFFFAOYSA-N 0 1 269.772 3.479 20 10 CGCDMN [O-]c1cccc(C[NH2+]Cc2ccccc2O)c1Cl ZINC000385517068 799426659 /nfs/dbraw/zinc/42/66/59/799426659.db2.gz BRHVWWPJECWSLU-UHFFFAOYSA-N 0 1 263.724 3.041 20 10 CGCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)CCCO1 ZINC000386634189 799438376 /nfs/dbraw/zinc/43/83/76/799438376.db2.gz QFQMIINVFDTUPC-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)CCCO1 ZINC000386634189 799438379 /nfs/dbraw/zinc/43/83/79/799438379.db2.gz QFQMIINVFDTUPC-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@@H]1C ZINC000390530713 799472275 /nfs/dbraw/zinc/47/22/75/799472275.db2.gz IJOSRHCZJDQDND-KBVBSXBZSA-N 0 1 284.197 3.289 20 10 CGCDMN CC(C)O[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000404505620 799577434 /nfs/dbraw/zinc/57/74/34/799577434.db2.gz BGELRWJSQXOGQY-CQSZACIVSA-N 0 1 283.799 3.435 20 10 CGCDMN CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000404505620 799577437 /nfs/dbraw/zinc/57/74/37/799577437.db2.gz BGELRWJSQXOGQY-CQSZACIVSA-N 0 1 283.799 3.435 20 10 CGCDMN CO[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000687211539 799737285 /nfs/dbraw/zinc/73/72/85/799737285.db2.gz BMARRNBRASVNIR-JQWIXIFHSA-N 0 1 269.772 3.045 20 10 CGCDMN C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000691425237 799783375 /nfs/dbraw/zinc/78/33/75/799783375.db2.gz DFYSRRPJEMTOFW-JOYOIKCWSA-N 0 1 284.197 3.433 20 10 CGCDMN CCc1cccc(CNC(C)(C)c2nccs2)c1O ZINC000691444053 799783509 /nfs/dbraw/zinc/78/35/09/799783509.db2.gz IIQPKJULWBVWNO-UHFFFAOYSA-N 0 1 276.405 3.436 20 10 CGCDMN CC(C)(C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691393473 799783764 /nfs/dbraw/zinc/78/37/64/799783764.db2.gz SXEXQKQOLPTWNJ-UHFFFAOYSA-N 0 1 258.159 3.043 20 10 CGCDMN CCC(CC)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691394664 799784347 /nfs/dbraw/zinc/78/43/47/799784347.db2.gz HCYQIQDJMYPPOU-UHFFFAOYSA-N 0 1 272.186 3.433 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000694871202 799824557 /nfs/dbraw/zinc/82/45/57/799824557.db2.gz PAFYOPLLJXCWCE-MNOVXSKESA-N 0 1 269.772 3.045 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000694871202 799824559 /nfs/dbraw/zinc/82/45/59/799824559.db2.gz PAFYOPLLJXCWCE-MNOVXSKESA-N 0 1 269.772 3.045 20 10 CGCDMN COc1ccc(O)c([C@H](C)N[C@@H](C)c2cscn2)c1 ZINC000700444505 799871680 /nfs/dbraw/zinc/87/16/80/799871680.db2.gz RXXLTCDITVIKSI-UWVGGRQHSA-N 0 1 278.377 3.269 20 10 CGCDMN COCc1ccccc1NCc1ccc(F)c(F)c1O ZINC000703277232 799921921 /nfs/dbraw/zinc/92/19/21/799921921.db2.gz VABKFWKEJAUMJS-UHFFFAOYSA-N 0 1 279.286 3.429 20 10 CGCDMN Oc1ccc(F)cc1CNCc1nc2c(s1)CCCC2 ZINC000719539054 800242186 /nfs/dbraw/zinc/24/21/86/800242186.db2.gz IXJLWMCRMHHRLO-UHFFFAOYSA-N 0 1 292.379 3.156 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC[C@H](C)O2)c(Cl)c1 ZINC000850379418 800517845 /nfs/dbraw/zinc/51/78/45/800517845.db2.gz OEEYPMKYEKNGLM-RYUDHWBXSA-N 0 1 283.799 3.401 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC001204992393 812813926 /nfs/dbraw/zinc/81/39/26/812813926.db2.gz CBFBMFVPJGKKJH-OAHLLOKOSA-N 0 1 297.345 3.061 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001137837704 803780511 /nfs/dbraw/zinc/78/05/11/803780511.db2.gz RGALZPADDNBLNL-VIFPVBQESA-N 0 1 259.271 3.008 20 10 CGCDMN CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001137834647 803780836 /nfs/dbraw/zinc/78/08/36/803780836.db2.gz ODCYGARQGOBPNY-DYVFJYSZSA-N 0 1 293.382 3.170 20 10 CGCDMN Cc1c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c2ccccc2n1C ZINC001138253709 803881672 /nfs/dbraw/zinc/88/16/72/803881672.db2.gz DFULKMPVRYBICJ-NOLJZWGESA-N 0 1 272.367 3.277 20 10 CGCDMN Cc1cc(CN2CCC[C@H]2c2cnccn2)ccc1N(C)C ZINC001139673603 804247239 /nfs/dbraw/zinc/24/72/39/804247239.db2.gz VVKGDDBNYOGNBP-SFHVURJKSA-N 0 1 296.418 3.188 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c(F)ccc(F)c2[O-])C2(CC2)C1 ZINC001139687530 804254232 /nfs/dbraw/zinc/25/42/32/804254232.db2.gz OISBCFIDDDZUDH-SECBINFHSA-N 0 1 253.292 3.045 20 10 CGCDMN C[N@@H+](CCc1cccc(F)c1)Cc1c(F)ccc(F)c1[O-] ZINC001139687848 804254713 /nfs/dbraw/zinc/25/47/13/804254713.db2.gz RNINRWITDDIDFM-UHFFFAOYSA-N 0 1 295.304 3.484 20 10 CGCDMN CC1CC([N@H+](C)Cc2c([O-])cccc2Br)C1 ZINC001140098834 804378034 /nfs/dbraw/zinc/37/80/34/804378034.db2.gz OCDNXRJMJGCWDJ-UHFFFAOYSA-N 0 1 284.197 3.385 20 10 CGCDMN CC1CC([N@@H+](C)Cc2c([O-])cccc2Br)C1 ZINC001140098834 804378041 /nfs/dbraw/zinc/37/80/41/804378041.db2.gz OCDNXRJMJGCWDJ-UHFFFAOYSA-N 0 1 284.197 3.385 20 10 CGCDMN COC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140462496 804441155 /nfs/dbraw/zinc/44/11/55/804441155.db2.gz HLVBCEXHSMCRQE-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN COC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140462496 804441157 /nfs/dbraw/zinc/44/11/57/804441157.db2.gz HLVBCEXHSMCRQE-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN COC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140462496 804441159 /nfs/dbraw/zinc/44/11/59/804441159.db2.gz HLVBCEXHSMCRQE-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CSC1CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140466658 804444158 /nfs/dbraw/zinc/44/41/58/804444158.db2.gz JYODCDFGDHRXQQ-UHFFFAOYSA-N 0 1 271.813 3.373 20 10 CGCDMN COc1cc(F)cc(CN2CCc3cccc(O)c3C2)c1 ZINC001140484605 804445336 /nfs/dbraw/zinc/44/53/36/804445336.db2.gz WHWPNOGTVBKTOB-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN C[C@H]1CN(Cc2ccc(N(C)C)cc2Cl)CCCO1 ZINC001140921539 804549172 /nfs/dbraw/zinc/54/91/72/804549172.db2.gz HJQFEGMVTOUIJC-LBPRGKRZSA-N 0 1 282.815 3.017 20 10 CGCDMN CC[N@@H+](Cc1cc(F)c([O-])c(F)c1)Cc1ccccc1O ZINC001140990489 804563418 /nfs/dbraw/zinc/56/34/18/804563418.db2.gz BXXGERTZDUSOTE-UHFFFAOYSA-N 0 1 293.313 3.398 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142509062 804727791 /nfs/dbraw/zinc/72/77/91/804727791.db2.gz VZPLAZHXTQFWHJ-JTQLQIEISA-N 0 1 255.308 3.292 20 10 CGCDMN C[C@H]1CCCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142509132 804728675 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288.435 3.286 20 10 CGCDMN Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H](C)c1ccn(C)n1 ZINC001326047010 934947360 /nfs/dbraw/zinc/94/73/60/934947360.db2.gz SEKMKTVVWBOSAT-MBNYWOFBSA-N 0 1 285.391 3.333 20 10 CGCDMN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1nnc(C2CC2)[nH]1 ZINC001330716986 935316126 /nfs/dbraw/zinc/31/61/26/935316126.db2.gz YUSLHMVYYQHWKT-CMPLNLGQSA-N 0 1 298.390 3.034 20 10 CGCDMN CN(C)c1cc(F)c(CNC/C=C\C2CC2)cc1F ZINC001331522210 935388607 /nfs/dbraw/zinc/38/86/07/935388607.db2.gz WVFVRUOPABVVOM-ARJAWSKDSA-N 0 1 266.335 3.087 20 10 CGCDMN CCc1onc(C)c1CNCc1ccc(N2CCCC2)cc1 ZINC001332352734 935461479 /nfs/dbraw/zinc/46/14/79/935461479.db2.gz SUPKHNGUZZPUGS-UHFFFAOYSA-N 0 1 299.418 3.435 20 10 CGCDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])C1CC(OC(C)(C)C)C1 ZINC001474586383 937868972 /nfs/dbraw/zinc/86/89/72/937868972.db2.gz PYAKLAWYVQQQDM-UHFFFAOYSA-N 0 1 299.361 3.448 20 10 CGCDMN CCO[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC001474608556 937870416 /nfs/dbraw/zinc/87/04/16/937870416.db2.gz GOGXXOKETDCGOJ-ZIAGYGMSSA-N 0 1 283.799 3.483 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001474694440 937875812 /nfs/dbraw/zinc/87/58/12/937875812.db2.gz DBURRCFHHGHYNT-XEGUGMAKSA-N 0 1 281.783 3.093 20 10 CGCDMN Cc1cc(C[NH2+]Cc2ccc(Cl)cc2[O-])ccn1 ZINC001560843863 938279189 /nfs/dbraw/zinc/27/91/89/938279189.db2.gz MGOCIRBEOCIKBM-UHFFFAOYSA-N 0 1 262.740 3.039 20 10 CGCDMN [O-]c1c(C[NH2+]CCc2ccoc2)ccc2ccccc21 ZINC001560933730 938285088 /nfs/dbraw/zinc/28/50/88/938285088.db2.gz YCZJSHQBXJJJHW-UHFFFAOYSA-N 0 1 267.328 3.471 20 10 CGCDMN C[C@@H]([NH2+]C1CCC1)c1cc(Br)ccc1[O-] ZINC000273474193 346412666 /nfs/dbraw/zinc/41/26/66/346412666.db2.gz KHDSSRBGXPRPCU-MRVPVSSYSA-N 0 1 270.170 3.358 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+]C1(C2CC2)CC1 ZINC000691454413 799784298 /nfs/dbraw/zinc/78/42/98/799784298.db2.gz LEVWYUFURCYWKD-UHFFFAOYSA-N 0 1 282.181 3.187 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000287375489 371645267 /nfs/dbraw/zinc/64/52/67/371645267.db2.gz HYJILWPJUVSDDS-SRVKXCTJSA-N 0 1 283.799 3.369 20 10 CGCDMN CC(C)[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCOC1 ZINC000291209634 372139059 /nfs/dbraw/zinc/13/90/59/372139059.db2.gz IIZOEQRTTNWXHM-LBPRGKRZSA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)CC1(C)C ZINC000295122704 372694114 /nfs/dbraw/zinc/69/41/14/372694114.db2.gz XOORGWBDCVHNHI-CQSZACIVSA-N 0 1 283.799 3.293 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)CC1(C)C ZINC000295122704 372694120 /nfs/dbraw/zinc/69/41/20/372694120.db2.gz XOORGWBDCVHNHI-CQSZACIVSA-N 0 1 283.799 3.293 20 10 CGCDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCCOC1 ZINC000295399579 372764360 /nfs/dbraw/zinc/76/43/60/372764360.db2.gz QNYJVVPZFXIVAZ-JTQLQIEISA-N 0 1 287.762 3.043 20 10 CGCDMN Cc1cccc(CN2CCO[C@H](c3cccs3)C2)c1O ZINC000179887764 373933919 /nfs/dbraw/zinc/93/39/19/373933919.db2.gz MIDBQWYYRFIDKL-AWEZNQCLSA-N 0 1 289.400 3.336 20 10 CGCDMN Cc1cccc(CN2CCCC[C@@H]2c2ncc[nH]2)c1O ZINC000179937663 373941349 /nfs/dbraw/zinc/94/13/49/373941349.db2.gz LDJCATUAFRKEBK-CQSZACIVSA-N 0 1 271.364 3.151 20 10 CGCDMN CO[C@@H](C)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000182022109 374205068 /nfs/dbraw/zinc/20/50/68/374205068.db2.gz OIPRGPCFIXYCOM-HNNXBMFYSA-N 0 1 276.424 3.144 20 10 CGCDMN COc1ccc(O)c(CNC(C)(C)c2nc(C)cs2)c1 ZINC000182213893 374236889 /nfs/dbraw/zinc/23/68/89/374236889.db2.gz NFKJKJNMTVCURP-UHFFFAOYSA-N 0 1 292.404 3.191 20 10 CGCDMN Cc1ccc(NC(=O)CN(C)Cc2cccc(C)c2O)cc1 ZINC000183481221 374418826 /nfs/dbraw/zinc/41/88/26/374418826.db2.gz YANJSJZGYFUVSY-UHFFFAOYSA-N 0 1 298.386 3.080 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000191379260 375620025 /nfs/dbraw/zinc/62/00/25/375620025.db2.gz XFEYAXQVSREDKR-YGRLFVJLSA-N 0 1 299.773 3.186 20 10 CGCDMN CO[C@]1(C)CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000230300129 376501923 /nfs/dbraw/zinc/50/19/23/376501923.db2.gz VBGISYXYEREQNU-CQSZACIVSA-N 0 1 269.772 3.047 20 10 CGCDMN CO[C@]1(C)CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000230300129 376501931 /nfs/dbraw/zinc/50/19/31/376501931.db2.gz VBGISYXYEREQNU-CQSZACIVSA-N 0 1 269.772 3.047 20 10 CGCDMN C[C@@H](NCc1cccc2c1OCO2)c1ccc(N(C)C)cc1 ZINC000237337683 376741133 /nfs/dbraw/zinc/74/11/33/376741133.db2.gz CEDCXOJPWFQQAG-CYBMUJFWSA-N 0 1 298.386 3.332 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CC[C@@H](C)C[C@H]2C)cc1OC ZINC000271752137 378503168 /nfs/dbraw/zinc/50/31/68/378503168.db2.gz VZWDBXZZRZTXTE-VXGBXAGGSA-N 0 1 279.380 3.030 20 10 CGCDMN CCCOc1ccc(CN(C)Cc2ccccn2)c(O)c1 ZINC000273402347 378743910 /nfs/dbraw/zinc/74/39/10/378743910.db2.gz MJMQBZJFAQGZJC-UHFFFAOYSA-N 0 1 286.375 3.208 20 10 CGCDMN CCc1nnc([C@@H](C)N[C@@H](C)c2ccc(C)c(C)c2O)[nH]1 ZINC000273505237 378750086 /nfs/dbraw/zinc/75/00/86/378750086.db2.gz QXLRCLZIJXVCTG-NWDGAFQWSA-N 0 1 288.395 3.101 20 10 CGCDMN Cc1nccnc1[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC000187761523 542246106 /nfs/dbraw/zinc/24/61/06/542246106.db2.gz VIRZEYZUTZDTJI-OAHLLOKOSA-N 0 1 296.418 3.236 20 10 CGCDMN Cc1cccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1O ZINC000373224560 379245044 /nfs/dbraw/zinc/24/50/44/379245044.db2.gz VXQRNVZWRMULCD-CYBMUJFWSA-N 0 1 257.333 3.283 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375321329 379489784 /nfs/dbraw/zinc/48/97/84/379489784.db2.gz PRHHDXQJFMLFSD-OCCSQVGLSA-N 0 1 299.773 3.328 20 10 CGCDMN C[C@@H](N[C@@H](C)c1c(F)cncc1F)c1ccccc1O ZINC000285707426 380153591 /nfs/dbraw/zinc/15/35/91/380153591.db2.gz PHEQEMDYOOZZNH-ZJUUUORDSA-N 0 1 278.302 3.477 20 10 CGCDMN Fc1cccc2c1OCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000364638610 382274177 /nfs/dbraw/zinc/27/41/77/382274177.db2.gz RLTSGNKOPJRUIK-MRXNPFEDSA-N 0 1 299.345 3.374 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CCC23CCCCC3)cc1OC ZINC000369326426 382389389 /nfs/dbraw/zinc/38/93/89/382389389.db2.gz HMBIBZWKMVSICK-UHFFFAOYSA-N 0 1 291.391 3.318 20 10 CGCDMN CC[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCCO1 ZINC000132664219 392461565 /nfs/dbraw/zinc/46/15/65/392461565.db2.gz IADGXTKVSHTUAF-NSHDSACASA-N 0 1 269.772 3.047 20 10 CGCDMN CC[N@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCCO1 ZINC000132664219 392461572 /nfs/dbraw/zinc/46/15/72/392461572.db2.gz IADGXTKVSHTUAF-NSHDSACASA-N 0 1 269.772 3.047 20 10 CGCDMN C[C@H](N[C@@H]1CCc2cccc(O)c21)c1c(F)cncc1F ZINC000297348420 392568302 /nfs/dbraw/zinc/56/83/02/392568302.db2.gz PAISRGGRKTTYBY-TVQRCGJNSA-N 0 1 290.313 3.404 20 10 CGCDMN Oc1ccccc1CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000179558781 392702768 /nfs/dbraw/zinc/70/27/68/392702768.db2.gz SASJLZZYWJAZQG-QGZVFWFLSA-N 0 1 287.334 3.105 20 10 CGCDMN Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185276779 262048609 /nfs/dbraw/zinc/04/86/09/262048609.db2.gz NIXQVLUYQVOSBY-VIFPVBQESA-N 0 1 293.798 3.247 20 10 CGCDMN C[C@@H]([NH2+]CCCCCCO)c1cc(Cl)ccc1[O-] ZINC000186231115 262085426 /nfs/dbraw/zinc/08/54/26/262085426.db2.gz FVDVBZHMTFSAJV-LLVKDONJSA-N 0 1 271.788 3.249 20 10 CGCDMN C[C@H](N[C@@H](C)c1ncccc1F)c1ccccc1O ZINC000528035887 330302717 /nfs/dbraw/zinc/30/27/17/330302717.db2.gz MUWWMGQMCDNGMB-QWRGUYRKSA-N 0 1 260.312 3.338 20 10 CGCDMN CCOC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000126579555 520170571 /nfs/dbraw/zinc/17/05/71/520170571.db2.gz YNQGSPBFHBZHAQ-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN CCOC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000126579555 520170577 /nfs/dbraw/zinc/17/05/77/520170577.db2.gz YNQGSPBFHBZHAQ-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN CN(C)[C@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccco1 ZINC000083551362 522087326 /nfs/dbraw/zinc/08/73/26/522087326.db2.gz HCVCDHOZAADYDD-CYBMUJFWSA-N 0 1 294.782 3.031 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H](C2CC2)O1 ZINC000280472199 524622903 /nfs/dbraw/zinc/62/29/03/524622903.db2.gz CSZNIAHLOVGQJQ-IINYFYTJSA-N 0 1 281.783 3.045 20 10 CGCDMN C[C@@H]([NH2+]C1CC(F)(F)C1)c1cc(Cl)ccc1[O-] ZINC000277089132 525394468 /nfs/dbraw/zinc/39/44/68/525394468.db2.gz KJPJAUNUPJWNLI-SSDOTTSWSA-N 0 1 261.699 3.494 20 10 CGCDMN C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc(N(C)C)cc1 ZINC000288516684 525620560 /nfs/dbraw/zinc/62/05/60/525620560.db2.gz JGBLEBDBYGTITJ-UGSOOPFHSA-N 0 1 282.387 3.364 20 10 CGCDMN C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000280586208 525793002 /nfs/dbraw/zinc/79/30/02/525793002.db2.gz XDYBHXUWEOSTEK-AAEUAGOBSA-N 0 1 283.799 3.171 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1CC(F)(F)C1 ZINC000291700112 526364008 /nfs/dbraw/zinc/36/40/08/526364008.db2.gz KBYWMFJIRXUIRQ-UHFFFAOYSA-N 0 1 261.699 3.181 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1C(C)C ZINC000738463864 571774091 /nfs/dbraw/zinc/77/40/91/571774091.db2.gz QMRXEOYYUCFFBB-ZDUSSCGKSA-N 0 1 291.391 3.121 20 10 CGCDMN [O-]c1ccccc1C[N@H+](C[C@@H]1CCOC1)C1CCCC1 ZINC000732204063 572451725 /nfs/dbraw/zinc/45/17/25/572451725.db2.gz BATMHOBTAXFFQR-AWEZNQCLSA-N 0 1 275.392 3.173 20 10 CGCDMN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCOC1)C1CCCC1 ZINC000732204063 572451729 /nfs/dbraw/zinc/45/17/29/572451729.db2.gz BATMHOBTAXFFQR-AWEZNQCLSA-N 0 1 275.392 3.173 20 10 CGCDMN [O-]c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1Cl ZINC000733327892 572556146 /nfs/dbraw/zinc/55/61/46/572556146.db2.gz ZPJRLGHXTMAZMI-UHFFFAOYSA-N 0 1 289.762 3.270 20 10 CGCDMN C[C@@H](CC1CCOCC1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000747100800 572909017 /nfs/dbraw/zinc/90/90/17/572909017.db2.gz VEQWIOCHLMUPIP-NSHDSACASA-N 0 1 283.799 3.340 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@H]2CC(=O)[O-])cc1C(C)C ZINC000832900187 604979095 /nfs/dbraw/zinc/97/90/95/604979095.db2.gz SBPONEXBORDIHN-AWEZNQCLSA-N 0 1 291.391 3.263 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cncs2)c1[O-] ZINC000934197160 618527742 /nfs/dbraw/zinc/52/77/42/618527742.db2.gz AZYYVRCZYBTOJK-QMMMGPOBSA-N 0 1 294.351 3.041 20 10 CGCDMN COc1cc(C)cc(CN(C)Cc2scnc2C)c1O ZINC000178891911 618712739 /nfs/dbraw/zinc/71/27/39/618712739.db2.gz VEHPDAJAFVRJLX-UHFFFAOYSA-N 0 1 292.404 3.106 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000840895573 618961931 /nfs/dbraw/zinc/96/19/31/618961931.db2.gz NVEVFTNEYMYYGC-LOWVWBTDSA-N 0 1 283.799 3.247 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000840943315 619241628 /nfs/dbraw/zinc/24/16/28/619241628.db2.gz LHDZKXHGKQNEAM-ZBFHGGJFSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000840943315 619241630 /nfs/dbraw/zinc/24/16/30/619241630.db2.gz LHDZKXHGKQNEAM-ZBFHGGJFSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000840943315 619241631 /nfs/dbraw/zinc/24/16/31/619241631.db2.gz LHDZKXHGKQNEAM-ZBFHGGJFSA-N 0 1 295.810 3.497 20 10 CGCDMN COc1ccc2c(c1)CN(Cc1cc(F)cc(F)c1O)C2 ZINC000895188477 619773666 /nfs/dbraw/zinc/77/36/66/619773666.db2.gz MQSXHOCIHXAMQK-UHFFFAOYSA-N 0 1 291.297 3.195 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC000897533955 620378112 /nfs/dbraw/zinc/37/81/12/620378112.db2.gz MMCUTFXFLGYXJV-WFASDCNBSA-N 0 1 297.826 3.385 20 10 CGCDMN C[C@H](NCc1ccon1)c1ccc2ccccc2c1O ZINC000148607217 620398263 /nfs/dbraw/zinc/39/82/63/620398263.db2.gz XZFLLQBEAJDUMT-NSHDSACASA-N 0 1 268.316 3.384 20 10 CGCDMN Cc1nc(CN[C@@H](C)c2cc(C)ccc2O)cs1 ZINC000041010520 620549921 /nfs/dbraw/zinc/54/99/21/620549921.db2.gz QMWACSAUUXLUND-JTQLQIEISA-N 0 1 262.378 3.316 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000903266171 621652723 /nfs/dbraw/zinc/65/27/23/621652723.db2.gz UKTWTYIKYWMXQW-PKPZWWHKSA-N 0 1 281.783 3.264 20 10 CGCDMN Cc1ccc([C@@H](C)N[C@@H](c2ncccn2)C2CC2)c(O)c1 ZINC000903326411 621699901 /nfs/dbraw/zinc/69/99/01/621699901.db2.gz LQNJEZVSOGMJOT-MLGOLLRUSA-N 0 1 283.375 3.293 20 10 CGCDMN Cc1ccc(O)c([C@H](C)N[C@H](c2ncccn2)C2CC2)c1 ZINC000903327828 621701189 /nfs/dbraw/zinc/70/11/89/621701189.db2.gz ZPJFEKJSUZEUGR-LRDDRELGSA-N 0 1 283.375 3.293 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CC=CCC1 ZINC000045628814 622875482 /nfs/dbraw/zinc/87/54/82/622875482.db2.gz RKOIDAUZIGOVNR-NSHDSACASA-N 0 1 251.757 3.492 20 10 CGCDMN C[C@@H](C1CC1)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000158046136 622996057 /nfs/dbraw/zinc/99/60/57/622996057.db2.gz VVVYAZPLSUUIEJ-QMMMGPOBSA-N 0 1 284.743 3.184 20 10 CGCDMN CC[C@@H](N)C[NH2+][C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817981005 625633636 /nfs/dbraw/zinc/63/36/36/625633636.db2.gz YUBJWYOTIHCZLI-LDYMZIIASA-N 0 1 291.222 3.477 20 10 CGCDMN C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000232180862 623368730 /nfs/dbraw/zinc/36/87/30/623368730.db2.gz WYDGZCCAKRQPNC-CABZTGNLSA-N 0 1 284.197 3.433 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000917473276 624272178 /nfs/dbraw/zinc/27/21/78/624272178.db2.gz OFWZWDHAMLMIGY-SJLPKXTDSA-N 0 1 298.386 3.084 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000917473276 624272188 /nfs/dbraw/zinc/27/21/88/624272188.db2.gz OFWZWDHAMLMIGY-SJLPKXTDSA-N 0 1 298.386 3.084 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2ccn(C(C)C)n2)c1 ZINC000182465519 625003599 /nfs/dbraw/zinc/00/35/99/625003599.db2.gz PSTVWOCQCQFQHN-LBPRGKRZSA-N 0 1 289.379 3.029 20 10 CGCDMN Cc1cc(O)c(CN2CCOC[C@@H]2C)cc1C(C)C ZINC000073586303 625799844 /nfs/dbraw/zinc/79/98/44/625799844.db2.gz ZIATZXFKJBHQEX-ZDUSSCGKSA-N 0 1 263.381 3.045 20 10 CGCDMN COc1ccc(CNCc2cnn(CC3CCC3)c2)cc1C ZINC000921651475 625807156 /nfs/dbraw/zinc/80/71/56/625807156.db2.gz LJOJNISDQMVCGA-UHFFFAOYSA-N 0 1 299.418 3.290 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCS1 ZINC000922843337 626056280 /nfs/dbraw/zinc/05/62/80/626056280.db2.gz QASBUCHZGWTIBR-JOYOIKCWSA-N 0 1 271.813 3.419 20 10 CGCDMN O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccccc2c1[O-] ZINC000839128844 626321400 /nfs/dbraw/zinc/32/14/00/626321400.db2.gz GOHFUNUHBGBZJF-GASCZTMLSA-N 0 1 281.355 3.241 20 10 CGCDMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1[O-] ZINC000839128844 626321401 /nfs/dbraw/zinc/32/14/01/626321401.db2.gz GOHFUNUHBGBZJF-GASCZTMLSA-N 0 1 281.355 3.241 20 10 CGCDMN C[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccn(C)n1 ZINC000840818806 626322300 /nfs/dbraw/zinc/32/23/00/626322300.db2.gz ZSWVKTAODHHYMS-STQMWFEESA-N 0 1 299.418 3.416 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839193358 626329433 /nfs/dbraw/zinc/32/94/33/626329433.db2.gz UCYKADHZKNWKLZ-UWVGGRQHSA-N 0 1 290.215 3.389 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]CC2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756510493 626711419 /nfs/dbraw/zinc/71/14/19/626711419.db2.gz JBGJRUDPXPFGNQ-GWCFXTLKSA-N 0 1 279.355 3.096 20 10 CGCDMN CC(C)c1cc(CN[C@@H](C)c2cc(F)ccc2O)on1 ZINC000756573891 626717068 /nfs/dbraw/zinc/71/70/68/626717068.db2.gz STGQAFGGAFNWDE-JTQLQIEISA-N 0 1 278.327 3.494 20 10 CGCDMN COCCC1(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756762446 626729720 /nfs/dbraw/zinc/72/97/20/626729720.db2.gz ZZINHUSMLHKQLR-WCQYABFASA-N 0 1 293.382 3.486 20 10 CGCDMN C[C@H]([NH2+]CC1(CCO)CCC1)c1cc(Cl)ccc1[O-] ZINC000756765111 626729810 /nfs/dbraw/zinc/72/98/10/626729810.db2.gz OGKAXPKBIOKDPE-NSHDSACASA-N 0 1 283.799 3.249 20 10 CGCDMN CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000756789614 626732573 /nfs/dbraw/zinc/73/25/73/626732573.db2.gz HUSJLBSJULUBEW-XHDPSFHLSA-N 0 1 297.826 3.493 20 10 CGCDMN C[N@@H+](Cc1cccnc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000757872148 626811495 /nfs/dbraw/zinc/81/14/95/626811495.db2.gz SRGJOZINVVGNFK-UHFFFAOYSA-N 0 1 280.730 3.212 20 10 CGCDMN C[N@@H+](CCc1ccccn1)Cc1cc(Cl)cc(F)c1[O-] ZINC000757885821 626812523 /nfs/dbraw/zinc/81/25/23/626812523.db2.gz LJPOZVKPCFSGHR-UHFFFAOYSA-N 0 1 294.757 3.254 20 10 CGCDMN CCN(CC)c1ccc(CN2CCSCC2)cc1F ZINC000768236257 627469871 /nfs/dbraw/zinc/46/98/71/627469871.db2.gz DNHAOIOHZBCLDE-UHFFFAOYSA-N 0 1 282.428 3.221 20 10 CGCDMN CC(C)[C@H](C)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768270374 627471795 /nfs/dbraw/zinc/47/17/95/627471795.db2.gz ZECZPHFCTSUWKM-VIFPVBQESA-N 0 1 286.759 3.430 20 10 CGCDMN Cc1occc1CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000769061403 627520323 /nfs/dbraw/zinc/52/03/23/627520323.db2.gz QPLKVFUNPXUNBM-UHFFFAOYSA-N 0 1 276.355 3.425 20 10 CGCDMN CCN(CC)c1ccc(CN2CCCOC[C@@H]2C)cc1F ZINC000769456237 627555008 /nfs/dbraw/zinc/55/50/08/627555008.db2.gz HOXYVEIGDZVXED-AWEZNQCLSA-N 0 1 294.414 3.283 20 10 CGCDMN Oc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2O)cc1 ZINC000770508717 627623289 /nfs/dbraw/zinc/62/32/89/627623289.db2.gz GBGKWIIJMRKVKR-INIZCTEOSA-N 0 1 269.344 3.435 20 10 CGCDMN CCN(C)c1ccc(CN[C@@H](CO)c2ccsc2)cc1 ZINC000773862027 627921218 /nfs/dbraw/zinc/92/12/18/627921218.db2.gz YAJYIZSODWDZDW-INIZCTEOSA-N 0 1 290.432 3.027 20 10 CGCDMN C=Cn1cc(CN(C)Cc2ccc(N(CC)CC)cc2)cn1 ZINC000774821892 628035260 /nfs/dbraw/zinc/03/52/60/628035260.db2.gz VBPMXNQXVFSWKW-UHFFFAOYSA-N 0 1 298.434 3.462 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775493943 628101210 /nfs/dbraw/zinc/10/12/10/628101210.db2.gz WUKMGSLSOJHYII-CABCVRRESA-N 0 1 296.842 3.427 20 10 CGCDMN CC[C@@H](CCO)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775513906 628102540 /nfs/dbraw/zinc/10/25/40/628102540.db2.gz WFANCYIMARHQEL-FZMZJTMJSA-N 0 1 285.815 3.495 20 10 CGCDMN CC[C@H](O)CC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775513979 628102747 /nfs/dbraw/zinc/10/27/47/628102747.db2.gz PTTFPOZYOBIUOV-AAEUAGOBSA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](C)CCO)c1cc(Cl)ccc1[O-] ZINC000775514328 628103162 /nfs/dbraw/zinc/10/31/62/628103162.db2.gz ZACPOGKAOZSIGX-ZWNOBZJWSA-N 0 1 271.788 3.105 20 10 CGCDMN COCC[N@@H+](Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000775656348 628120373 /nfs/dbraw/zinc/12/03/73/628120373.db2.gz FIRJGCAGMQFMAG-UHFFFAOYSA-N 0 1 283.799 3.437 20 10 CGCDMN Cc1cccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1O ZINC000775697813 628126260 /nfs/dbraw/zinc/12/62/60/628126260.db2.gz ICYBAVVREXOEFK-UHFFFAOYSA-N 0 1 298.342 3.167 20 10 CGCDMN CC(C)[C@H]1CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000775763497 628134547 /nfs/dbraw/zinc/13/45/47/628134547.db2.gz HMGCHCQGBRTTQY-LLVKDONJSA-N 0 1 284.743 3.184 20 10 CGCDMN COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000775834031 628141049 /nfs/dbraw/zinc/14/10/49/628141049.db2.gz JCJZZXLPYKXEOQ-ZDUSSCGKSA-N 0 1 285.391 3.007 20 10 CGCDMN CCO[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C12CCC2 ZINC000776176991 628176669 /nfs/dbraw/zinc/17/66/69/628176669.db2.gz HPSHZVGMPQOVRC-CABCVRRESA-N 0 1 295.810 3.483 20 10 CGCDMN CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1(C)C ZINC000776499724 628214953 /nfs/dbraw/zinc/21/49/53/628214953.db2.gz XTWTUODQZFGSAX-OWYVNGRQSA-N 0 1 283.799 3.195 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1F ZINC000777965511 628316511 /nfs/dbraw/zinc/31/65/11/628316511.db2.gz WZKIOESJEZUMBD-IAQYHMDHSA-N 0 1 274.339 3.120 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1F ZINC000777965511 628316516 /nfs/dbraw/zinc/31/65/16/628316516.db2.gz WZKIOESJEZUMBD-IAQYHMDHSA-N 0 1 274.339 3.120 20 10 CGCDMN C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1F ZINC000777965514 628317029 /nfs/dbraw/zinc/31/70/29/628317029.db2.gz WZKIOESJEZUMBD-XHDPSFHLSA-N 0 1 274.339 3.120 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H]1F ZINC000777965514 628317033 /nfs/dbraw/zinc/31/70/33/628317033.db2.gz WZKIOESJEZUMBD-XHDPSFHLSA-N 0 1 274.339 3.120 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)c2c1c(F)ccc2[O-] ZINC000779088337 628388388 /nfs/dbraw/zinc/38/83/88/628388388.db2.gz MSAMHKNJIATQPW-RFHZTLPTSA-N 0 1 293.382 3.220 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000779189991 628393331 /nfs/dbraw/zinc/39/33/31/628393331.db2.gz VDSQWCGZTGQMQI-CYBMUJFWSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000779189991 628393334 /nfs/dbraw/zinc/39/33/34/628393334.db2.gz VDSQWCGZTGQMQI-CYBMUJFWSA-N 0 1 295.810 3.437 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1O ZINC000779432155 628413304 /nfs/dbraw/zinc/41/33/04/628413304.db2.gz LWWFKQKMIRTPAR-OCCSQVGLSA-N 0 1 297.826 3.275 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1cc(Cl)ccc1[O-] ZINC000783310209 628702269 /nfs/dbraw/zinc/70/22/69/628702269.db2.gz LPRNMBCWXSPVMC-PWSUYJOCSA-N 0 1 267.756 3.389 20 10 CGCDMN CCC[N@H+](CC[C@H]1CCOC1)Cc1ccccc1[O-] ZINC000783554643 628725082 /nfs/dbraw/zinc/72/50/82/628725082.db2.gz DBCZQEOCSJJNRE-AWEZNQCLSA-N 0 1 263.381 3.031 20 10 CGCDMN CCC[N@@H+](CC[C@H]1CCOC1)Cc1ccccc1[O-] ZINC000783554643 628725086 /nfs/dbraw/zinc/72/50/86/628725086.db2.gz DBCZQEOCSJJNRE-AWEZNQCLSA-N 0 1 263.381 3.031 20 10 CGCDMN CO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1C ZINC000784666952 628828079 /nfs/dbraw/zinc/82/80/79/628828079.db2.gz CNEXOBMWKOKPHT-NOZJJQNGSA-N 0 1 287.762 3.042 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000789508832 629141434 /nfs/dbraw/zinc/14/14/34/629141434.db2.gz SDPGQDCRBGQTIO-SJLPKXTDSA-N 0 1 298.386 3.084 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000789508832 629141436 /nfs/dbraw/zinc/14/14/36/629141436.db2.gz SDPGQDCRBGQTIO-SJLPKXTDSA-N 0 1 298.386 3.084 20 10 CGCDMN Cc1ccc(CN(C)Cc2ccc(N(C)C)c(F)c2)nc1 ZINC000789593885 629149187 /nfs/dbraw/zinc/14/91/87/629149187.db2.gz BTUATRPMBCBYRE-UHFFFAOYSA-N 0 1 287.382 3.227 20 10 CGCDMN CC[C@@H]1CO[C@H](C)CN1Cc1c(O)ccc(Cl)c1F ZINC000792157389 629341406 /nfs/dbraw/zinc/34/14/06/629341406.db2.gz VZLATWMDTNBZDY-NXEZZACHSA-N 0 1 287.762 3.184 20 10 CGCDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792166870 629342232 /nfs/dbraw/zinc/34/22/32/629342232.db2.gz UVEWYSSFBCZNIK-DTWKUNHWSA-N 0 1 257.736 3.415 20 10 CGCDMN C[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@@H]1CCCCO1 ZINC000792166887 629343880 /nfs/dbraw/zinc/34/38/80/629343880.db2.gz ILURTYOTJXEMIO-JTQLQIEISA-N 0 1 287.762 3.186 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000792171087 629343970 /nfs/dbraw/zinc/34/39/70/629343970.db2.gz XPVSYPILLJPDQE-GXFFZTMASA-N 0 1 299.773 3.186 20 10 CGCDMN CC[C@@]1(C)COCCN1Cc1c(O)ccc(Cl)c1F ZINC000792175489 629344468 /nfs/dbraw/zinc/34/44/68/629344468.db2.gz UBLZLUGVPANBRB-AWEZNQCLSA-N 0 1 287.762 3.186 20 10 CGCDMN COc1cccc2c1CN(Cc1cccc(C)c1O)C2 ZINC000862529498 629390994 /nfs/dbraw/zinc/39/09/94/629390994.db2.gz MIBAVIKHJCGSKS-UHFFFAOYSA-N 0 1 269.344 3.225 20 10 CGCDMN [O-]c1c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)ccc2ccccc21 ZINC000862530065 629392048 /nfs/dbraw/zinc/39/20/48/629392048.db2.gz ULJBEGDYHSIFHD-WBVHZDCISA-N 0 1 283.371 3.203 20 10 CGCDMN CCCN(Cc1ccccc1O)[C@H](CC(C)C)C(=O)OC ZINC000795925502 629726847 /nfs/dbraw/zinc/72/68/47/629726847.db2.gz HHMSNYPIBVXYOJ-OAHLLOKOSA-N 0 1 293.407 3.192 20 10 CGCDMN COc1ccc(NCc2ccc(F)c(F)c2O)cc1OC ZINC000864018237 629727319 /nfs/dbraw/zinc/72/73/19/629727319.db2.gz AAIFPQXULWORGL-UHFFFAOYSA-N 0 1 295.285 3.300 20 10 CGCDMN CC1=CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000798090710 630021535 /nfs/dbraw/zinc/02/15/35/630021535.db2.gz YLNBZVPLEQAZKL-UHFFFAOYSA-N 0 1 255.720 3.337 20 10 CGCDMN CCCCN(Cc1ccccc1O)[C@H](C)C(=O)OCCC ZINC000801596663 630346684 /nfs/dbraw/zinc/34/66/84/630346684.db2.gz JBKSEUOHGCXMQM-CQSZACIVSA-N 0 1 293.407 3.336 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)CCO)c1[O-] ZINC000808700966 630666575 /nfs/dbraw/zinc/66/65/75/630666575.db2.gz UUCFQBXJVKAAPB-NSHDSACASA-N 0 1 285.815 3.413 20 10 CGCDMN CC(C)C[C@H](CO)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809767862 630803698 /nfs/dbraw/zinc/80/36/98/630803698.db2.gz WDSMPBKQWRMRJD-GFCCVEGCSA-N 0 1 289.778 3.024 20 10 CGCDMN CN(C)c1ccc(CN2CCCc3occc3C2)cc1F ZINC000809792341 630812129 /nfs/dbraw/zinc/81/21/29/630812129.db2.gz SGLOWNMRKXVANM-UHFFFAOYSA-N 0 1 288.366 3.433 20 10 CGCDMN CC[C@@H](CO)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208525 630853544 /nfs/dbraw/zinc/85/35/44/630853544.db2.gz WJGWJLRDQFEYAT-JQWIXIFHSA-N 0 1 291.313 3.223 20 10 CGCDMN Cc1ccc(NC(=O)CN(C)Cc2ccc(C)cc2O)cc1 ZINC000876528990 634852168 /nfs/dbraw/zinc/85/21/68/634852168.db2.gz CGHHPPVWXOJVOT-UHFFFAOYSA-N 0 1 298.386 3.080 20 10 CGCDMN CC[C@@H]([NH2+]Cc1snnc1C)c1cc(Cl)ccc1[O-] ZINC000813884656 631476574 /nfs/dbraw/zinc/47/65/74/631476574.db2.gz YBLYRWSYQUXSRL-LLVKDONJSA-N 0 1 297.811 3.446 20 10 CGCDMN Cc1cc(CN2CCOC3(CCCC3)C2)ccc1N(C)C ZINC000815062445 631710402 /nfs/dbraw/zinc/71/04/02/631710402.db2.gz UPTFTZGGWZXKPR-UHFFFAOYSA-N 0 1 288.435 3.206 20 10 CGCDMN CCN(Cc1conc1C)Cc1ccc(N(C)C)cc1 ZINC000816480286 631986973 /nfs/dbraw/zinc/98/69/73/631986973.db2.gz IWBUESWGFHOIRF-UHFFFAOYSA-N 0 1 273.380 3.071 20 10 CGCDMN [O-]c1c(C[NH2+][C@H]2CCSC2)ccc2ccccc21 ZINC000816555205 632010724 /nfs/dbraw/zinc/01/07/24/632010724.db2.gz XBIBFUIICHZSKG-ZDUSSCGKSA-N 0 1 259.374 3.141 20 10 CGCDMN CC(C)(CCCO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816560393 632012600 /nfs/dbraw/zinc/01/26/00/632012600.db2.gz NFHARDOMONBOCN-UHFFFAOYSA-N 0 1 287.403 3.434 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H]2CCC[C@H]2CCO)ccc2ccccc21 ZINC000816575710 632016342 /nfs/dbraw/zinc/01/63/42/632016342.db2.gz WLPSXUMTYZUQCB-WMLDXEAASA-N 0 1 285.387 3.186 20 10 CGCDMN CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000816662782 632040746 /nfs/dbraw/zinc/04/07/46/632040746.db2.gz YHTDVWDTBAJEAF-INIZCTEOSA-N 0 1 297.826 3.276 20 10 CGCDMN CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000816662782 632040749 /nfs/dbraw/zinc/04/07/49/632040749.db2.gz YHTDVWDTBAJEAF-INIZCTEOSA-N 0 1 297.826 3.276 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000817418891 632146406 /nfs/dbraw/zinc/14/64/06/632146406.db2.gz KHHVGDJQILFHKO-LBPRGKRZSA-N 0 1 283.799 3.030 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000817418891 632146408 /nfs/dbraw/zinc/14/64/08/632146408.db2.gz KHHVGDJQILFHKO-LBPRGKRZSA-N 0 1 283.799 3.030 20 10 CGCDMN CC[C@@H](N)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817979888 632270722 /nfs/dbraw/zinc/27/07/22/632270722.db2.gz PZGCNRMIYYGDSC-HTQZYQBOSA-N 0 1 277.195 3.087 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(Cl)c1[O-] ZINC000818614770 632341484 /nfs/dbraw/zinc/34/14/84/632341484.db2.gz GDTJQKRREDTYCY-HZSPNIEDSA-N 0 1 282.815 3.356 20 10 CGCDMN Cc1ccc(O)c([C@H](C)NCc2nn(C)cc2C(F)F)c1 ZINC000866564971 633197654 /nfs/dbraw/zinc/19/76/54/633197654.db2.gz GOZILCVEDRXZJZ-JTQLQIEISA-N 0 1 295.333 3.223 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000824820936 633297200 /nfs/dbraw/zinc/29/72/00/633297200.db2.gz RCRBGGUYUOLQQJ-GUYCJALGSA-N 0 1 285.387 3.402 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000824820936 633297205 /nfs/dbraw/zinc/29/72/05/633297205.db2.gz RCRBGGUYUOLQQJ-GUYCJALGSA-N 0 1 285.387 3.402 20 10 CGCDMN COCC[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CCCC1 ZINC000876600978 634865524 /nfs/dbraw/zinc/86/55/24/634865524.db2.gz OBVZAFGHIGAUKX-UHFFFAOYSA-N 0 1 285.334 3.061 20 10 CGCDMN CO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000825104441 633329670 /nfs/dbraw/zinc/32/96/70/633329670.db2.gz XAGJZQOTXQWFGX-KBPBESRZSA-N 0 1 295.810 3.435 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825133535 633331470 /nfs/dbraw/zinc/33/14/70/633331470.db2.gz JJBFBGSXVICWSV-OAHLLOKOSA-N 0 1 281.783 3.048 20 10 CGCDMN CCOc1ccc(C[N@H+]2CCC[C@H](COC)CC2)c(O)c1 ZINC000825321594 633345108 /nfs/dbraw/zinc/34/51/08/633345108.db2.gz IGEMUKDNMCHROQ-AWEZNQCLSA-N 0 1 293.407 3.039 20 10 CGCDMN CC[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825568328 633365793 /nfs/dbraw/zinc/36/57/93/633365793.db2.gz WOIGORZMKYHHDR-MRXNPFEDSA-N 0 1 297.826 3.339 20 10 CGCDMN CC[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825568328 633365795 /nfs/dbraw/zinc/36/57/95/633365795.db2.gz WOIGORZMKYHHDR-MRXNPFEDSA-N 0 1 297.826 3.339 20 10 CGCDMN CC[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825568328 633365796 /nfs/dbraw/zinc/36/57/96/633365796.db2.gz WOIGORZMKYHHDR-MRXNPFEDSA-N 0 1 297.826 3.339 20 10 CGCDMN COCCC1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCC1 ZINC000825748618 633379091 /nfs/dbraw/zinc/37/90/91/633379091.db2.gz HFXSBHQOTFGSPL-UHFFFAOYSA-N 0 1 283.799 3.403 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000825824933 633382976 /nfs/dbraw/zinc/38/29/76/633382976.db2.gz PYHLFQVBIVNYJG-ZBFHGGJFSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000825824933 633382977 /nfs/dbraw/zinc/38/29/77/633382977.db2.gz PYHLFQVBIVNYJG-ZBFHGGJFSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000825824933 633382979 /nfs/dbraw/zinc/38/29/79/633382979.db2.gz PYHLFQVBIVNYJG-ZBFHGGJFSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c(Cl)c1 ZINC000827151942 633464913 /nfs/dbraw/zinc/46/49/13/633464913.db2.gz NQBKPXAVFZSGRR-INIZCTEOSA-N 0 1 295.810 3.091 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c(Cl)c1 ZINC000827151942 633464918 /nfs/dbraw/zinc/46/49/18/633464918.db2.gz NQBKPXAVFZSGRR-INIZCTEOSA-N 0 1 295.810 3.091 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c(Cl)c1 ZINC000827151942 633464923 /nfs/dbraw/zinc/46/49/23/633464923.db2.gz NQBKPXAVFZSGRR-INIZCTEOSA-N 0 1 295.810 3.091 20 10 CGCDMN Cc1ccc(O)c([C@H](C)N[C@H]2C[C@H](C)n3ccnc32)c1 ZINC000834892641 634271336 /nfs/dbraw/zinc/27/13/36/634271336.db2.gz CCKWGAXWSDNLMA-OBJOEFQTSA-N 0 1 271.364 3.254 20 10 CGCDMN CCn1ccnc1[C@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000834894238 634272279 /nfs/dbraw/zinc/27/22/79/634272279.db2.gz JLBKZQOKHFTHKN-OLZOCXBDSA-N 0 1 273.380 3.329 20 10 CGCDMN CCCc1ncc(CN[C@@H](C)c2ccc(C)cc2O)o1 ZINC000834898496 634275802 /nfs/dbraw/zinc/27/58/02/634275802.db2.gz FGAZWQPTUDMLKU-LBPRGKRZSA-N 0 1 274.364 3.492 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000834912933 634285186 /nfs/dbraw/zinc/28/51/86/634285186.db2.gz YGXJLWDCOCJYNC-RYUDHWBXSA-N 0 1 281.371 3.387 20 10 CGCDMN C[C@@H]1C[C@H](NC/C=C\c2ccc(N(C)C)cc2)c2nccn21 ZINC000835055085 634338810 /nfs/dbraw/zinc/33/88/10/634338810.db2.gz QNJXJVOJFCMIQG-DSLFPGPSSA-N 0 1 296.418 3.258 20 10 CGCDMN Cc1cc([C@@H]2CCCN2Cc2ccc(C)cc2O)no1 ZINC000876591342 634863309 /nfs/dbraw/zinc/86/33/09/634863309.db2.gz HHJGKDPUCFEOHC-HNNXBMFYSA-N 0 1 272.348 3.334 20 10 CGCDMN CN(Cc1ccnn1CC1CCC1)Cc1ccccc1O ZINC000876616229 634868711 /nfs/dbraw/zinc/86/87/11/634868711.db2.gz UYKBPRBMZVPJEE-UHFFFAOYSA-N 0 1 285.391 3.021 20 10 CGCDMN CCc1ccc([C@@H](COC)NCc2ccc(C)cc2O)o1 ZINC000877043118 634961917 /nfs/dbraw/zinc/96/19/17/634961917.db2.gz BLEBYVBPOLXZRQ-OAHLLOKOSA-N 0 1 289.375 3.333 20 10 CGCDMN Cc1cnc([C@H](C)NCc2ccc(C)cc2O)s1 ZINC000877081380 634977080 /nfs/dbraw/zinc/97/70/80/634977080.db2.gz NEKYHCQMWVOJRH-NSHDSACASA-N 0 1 262.378 3.316 20 10 CGCDMN CC[C@@H](C)c1nnc([C@@H](C)NCc2ccc(C)cc2O)[nH]1 ZINC000877475547 635051563 /nfs/dbraw/zinc/05/15/63/635051563.db2.gz SKQUGYPYIVIQFV-VXGBXAGGSA-N 0 1 288.395 3.183 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)CC(C)(C)C)c(Cl)c1 ZINC000840898053 635077964 /nfs/dbraw/zinc/07/79/64/635077964.db2.gz DWQGVHUJSODLQD-LLVKDONJSA-N 0 1 285.815 3.241 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCSC2)c(Cl)c1 ZINC000840911276 635080982 /nfs/dbraw/zinc/08/09/82/635080982.db2.gz ZWMBAQSILQQMAT-JTQLQIEISA-N 0 1 271.813 3.291 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCSC2)c(Cl)c1 ZINC000840911276 635080985 /nfs/dbraw/zinc/08/09/85/635080985.db2.gz ZWMBAQSILQQMAT-JTQLQIEISA-N 0 1 271.813 3.291 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)ccc(F)c1F ZINC000877613692 635112260 /nfs/dbraw/zinc/11/22/60/635112260.db2.gz AFHULISPQZLYNT-CYBMUJFWSA-N 0 1 289.272 3.292 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877740737 635175814 /nfs/dbraw/zinc/17/58/14/635175814.db2.gz TUXNPMZQXBOZBR-MNOVXSKESA-N 0 1 283.824 3.231 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877740737 635175820 /nfs/dbraw/zinc/17/58/20/635175820.db2.gz TUXNPMZQXBOZBR-MNOVXSKESA-N 0 1 283.824 3.231 20 10 CGCDMN CC[C@H](COC)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754216 635229225 /nfs/dbraw/zinc/22/92/25/635229225.db2.gz JAWGUGRJCXLXTD-GXSJLCMTSA-N 0 1 257.761 3.121 20 10 CGCDMN COCCCC[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000841893391 635248520 /nfs/dbraw/zinc/24/85/20/635248520.db2.gz DRJQOCDWSAUEPN-UHFFFAOYSA-N 0 1 271.788 3.212 20 10 CGCDMN COCCCC[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000841893391 635248524 /nfs/dbraw/zinc/24/85/24/635248524.db2.gz DRJQOCDWSAUEPN-UHFFFAOYSA-N 0 1 271.788 3.212 20 10 CGCDMN C[C@H]1CN(Cc2cc(F)ccc2O)CC2(CCCC2)O1 ZINC000843435697 635675593 /nfs/dbraw/zinc/67/55/93/635675593.db2.gz XJADPRPNQPBVJD-LBPRGKRZSA-N 0 1 279.355 3.065 20 10 CGCDMN CC(C)Oc1ccnc(CN(C)Cc2ccccc2O)c1 ZINC000844305544 635865672 /nfs/dbraw/zinc/86/56/72/635865672.db2.gz DBQNWFNDOOWNGQ-UHFFFAOYSA-N 0 1 286.375 3.206 20 10 CGCDMN CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cc(Cl)ccc3[O-])C[C@H]2C1 ZINC000846054709 636139265 /nfs/dbraw/zinc/13/92/65/636139265.db2.gz DWBABWOQTLFTCX-HGSJOUDDSA-N 0 1 295.810 3.339 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C2(CCC2)CO1 ZINC000846067059 636140572 /nfs/dbraw/zinc/14/05/72/636140572.db2.gz MEDIROPFABEUOD-LLVKDONJSA-N 0 1 281.783 3.189 20 10 CGCDMN Oc1c(F)cc(F)cc1CNc1ccc2c(n1)CCC2 ZINC000883137482 636552569 /nfs/dbraw/zinc/55/25/69/636552569.db2.gz GPESSVSUPLVSQR-UHFFFAOYSA-N 0 1 276.286 3.166 20 10 CGCDMN CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CCCCO1 ZINC000848575591 636614808 /nfs/dbraw/zinc/61/48/08/636614808.db2.gz SUIKUKCRALTQLM-ZFWWWQNUSA-N 0 1 283.799 3.483 20 10 CGCDMN CCOc1cccc(C[N@@H+](C)C[C@H](C)CC)c1O ZINC000132094400 636782156 /nfs/dbraw/zinc/78/21/56/636782156.db2.gz BGOGWKUCFMZFIN-GFCCVEGCSA-N 0 1 251.370 3.269 20 10 CGCDMN COC[C@H](C)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000187260326 636800230 /nfs/dbraw/zinc/80/02/30/636800230.db2.gz HYPQNGKSSXBUEI-CQSZACIVSA-N 0 1 277.408 3.419 20 10 CGCDMN COC[C@H](C)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000187260326 636800234 /nfs/dbraw/zinc/80/02/34/636800234.db2.gz HYPQNGKSSXBUEI-CQSZACIVSA-N 0 1 277.408 3.419 20 10 CGCDMN Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000849352718 636818057 /nfs/dbraw/zinc/81/80/57/636818057.db2.gz QJLAHMBXFMSNKW-OAHLLOKOSA-N 0 1 288.778 3.405 20 10 CGCDMN CCOc1ccc(CN[C@H](C)c2cscn2)c(O)c1 ZINC000850359327 637028024 /nfs/dbraw/zinc/02/80/24/637028024.db2.gz DRCZODLAAXKYRO-SNVBAGLBSA-N 0 1 278.377 3.098 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000850526826 637105127 /nfs/dbraw/zinc/10/51/27/637105127.db2.gz XEDFNEQUBXHOOG-PWSUYJOCSA-N 0 1 281.783 3.408 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000850543940 637115901 /nfs/dbraw/zinc/11/59/01/637115901.db2.gz BAUUFTCKQNLIPW-WFASDCNBSA-N 0 1 297.826 3.495 20 10 CGCDMN Cc1cc(C)c([C@@H](C)N[C@@H](C)c2nccn2C)c(O)c1 ZINC000850572296 637129858 /nfs/dbraw/zinc/12/98/58/637129858.db2.gz JIPXZGZMICNGJE-OLZOCXBDSA-N 0 1 273.380 3.154 20 10 CGCDMN Cc1coc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000885954082 637329512 /nfs/dbraw/zinc/32/95/12/637329512.db2.gz NAXPIJVXYGDGFO-UHFFFAOYSA-N 0 1 262.328 3.083 20 10 CGCDMN CC[C@H](NCc1ccc(N(C)C)cc1)c1cccc(OC)n1 ZINC000924575621 638366073 /nfs/dbraw/zinc/36/60/73/638366073.db2.gz XPSWGVALPRRYIF-INIZCTEOSA-N 0 1 299.418 3.397 20 10 CGCDMN CCC(F)(F)CN[C@@H](C)c1cc(F)cc(F)c1O ZINC000858507060 638748757 /nfs/dbraw/zinc/74/87/57/638748757.db2.gz KNCJOSVADYUABC-ZETCQYMHSA-N 0 1 265.250 3.366 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000858547733 638759387 /nfs/dbraw/zinc/75/93/87/638759387.db2.gz OAZWZLSJYTXLTN-FMSQNYNMSA-N 0 1 281.783 3.264 20 10 CGCDMN CC[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2O)CC1 ZINC000156049122 639962033 /nfs/dbraw/zinc/96/20/33/639962033.db2.gz GQEZHVQNDLSDNH-CYBMUJFWSA-N 0 1 263.381 3.413 20 10 CGCDMN CCOC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(C)C ZINC000188867005 640154806 /nfs/dbraw/zinc/15/48/06/640154806.db2.gz ZVNRUGDDPGIODM-CYBMUJFWSA-N 0 1 271.788 3.196 20 10 CGCDMN CC(C)COCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000083551599 640596645 /nfs/dbraw/zinc/59/66/45/640596645.db2.gz FZERFHKWLFELQT-UHFFFAOYSA-N 0 1 271.788 3.198 20 10 CGCDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000091859987 640724214 /nfs/dbraw/zinc/72/42/14/640724214.db2.gz AQBPSBYJGNQYFP-VHSXEESVSA-N 0 1 284.197 3.385 20 10 CGCDMN CN(Cc1c[nH]nc1C(C)(C)C)Cc1ccccc1O ZINC000091974513 640728059 /nfs/dbraw/zinc/72/80/59/640728059.db2.gz XGHAVLGHCCPUKX-UHFFFAOYSA-N 0 1 273.380 3.045 20 10 CGCDMN CCOCC[N@@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000092885224 640749313 /nfs/dbraw/zinc/74/93/13/640749313.db2.gz SHCPEJNIWNTZOE-UHFFFAOYSA-N 0 1 289.375 3.022 20 10 CGCDMN Oc1cc(-c2nc3ccc(C(F)F)cc3[nH]2)cc(O)c1O ZINC001251248297 805871195 /nfs/dbraw/zinc/87/11/95/805871195.db2.gz JWKGMSJREKEPMN-UHFFFAOYSA-N 0 1 292.241 3.284 20 10 CGCDMN CC(C)c1ccc2nc(-c3cc(O)c(O)c(O)c3)[nH]c2c1 ZINC001251248476 805872175 /nfs/dbraw/zinc/87/21/75/805872175.db2.gz STXQXVWZKOVIFB-UHFFFAOYSA-N 0 1 284.315 3.470 20 10 CGCDMN CCCN(CCC)C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001160864302 806313015 /nfs/dbraw/zinc/31/30/15/806313015.db2.gz ISWKVKFDRRAROS-UHFFFAOYSA-N 0 1 271.744 3.013 20 10 CGCDMN CCN1CCC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC001254720987 806487168 /nfs/dbraw/zinc/48/71/68/806487168.db2.gz FGJVCEOTZTWQGH-VXGBXAGGSA-N 0 1 298.377 3.053 20 10 CGCDMN C[C@H](CN1CCCCC1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000037154197 798860334 /nfs/dbraw/zinc/86/03/34/798860334.db2.gz QBJDSCQTAMDOQG-GFCCVEGCSA-N 0 1 282.815 3.010 20 10 CGCDMN COCc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000038010572 798883334 /nfs/dbraw/zinc/88/33/34/798883334.db2.gz JNZPVPZHMMGFMS-UHFFFAOYSA-N 0 1 291.778 3.482 20 10 CGCDMN C[C@H]1C[C@H](C)[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000161294373 799079407 /nfs/dbraw/zinc/07/94/07/799079407.db2.gz GGCFNNMQLJZFCB-UWVGGRQHSA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@H]1C[C@H](C)[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000161294373 799079415 /nfs/dbraw/zinc/07/94/15/799079415.db2.gz GGCFNNMQLJZFCB-UWVGGRQHSA-N 0 1 284.197 3.385 20 10 CGCDMN Cc1ccoc1CNCc1ccc(N2CCCC2)cc1 ZINC000380605091 799364659 /nfs/dbraw/zinc/36/46/59/799364659.db2.gz FSIDSYIVMOMMFK-UHFFFAOYSA-N 0 1 270.376 3.478 20 10 CGCDMN C[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])[C@H]1C ZINC000380726795 799365664 /nfs/dbraw/zinc/36/56/64/799365664.db2.gz FWIKOHVJPIUNHQ-UWVGGRQHSA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])[C@H]1C ZINC000380726795 799365672 /nfs/dbraw/zinc/36/56/72/799365672.db2.gz 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[O-]c1ccc(Cl)cc1C[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001203651414 812416239 /nfs/dbraw/zinc/41/62/39/812416239.db2.gz NTSDKKNBIMCOEJ-ZDUSSCGKSA-N 0 1 295.810 3.030 20 10 CGCDMN Cc1ccc([C@H]2CCCN2Cc2ccc(O)c(O)c2)cn1 ZINC001203878571 812478625 /nfs/dbraw/zinc/47/86/25/812478625.db2.gz CUVNVCFOZBVQPO-OAHLLOKOSA-N 0 1 284.359 3.138 20 10 CGCDMN C[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001204323401 812613421 /nfs/dbraw/zinc/61/34/21/812613421.db2.gz HRSARUUAQTVKMI-HNNXBMFYSA-N 0 1 286.419 3.088 20 10 CGCDMN C[N@@H+](Cc1ccsc1)Cc1cc(F)cc(F)c1[O-] ZINC001205629594 813035185 /nfs/dbraw/zinc/03/51/85/813035185.db2.gz XWHFFCNFRDFKBO-UHFFFAOYSA-N 0 1 269.316 3.364 20 10 CGCDMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(O)c1 ZINC001231447201 818099970 /nfs/dbraw/zinc/09/99/70/818099970.db2.gz PBUFKLDSXJHPIC-OAHLLOKOSA-N 0 1 297.354 3.080 20 10 CGCDMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231565219 818123691 /nfs/dbraw/zinc/12/36/91/818123691.db2.gz BJDKAERMYNCUGX-LBPRGKRZSA-N 0 1 297.354 3.037 20 10 CGCDMN CC(C)[C@H]1COCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231881354 818199799 /nfs/dbraw/zinc/19/97/99/818199799.db2.gz VVHDIVFZADQPQE-QGZVFWFLSA-N 0 1 285.387 3.402 20 10 CGCDMN CC(C)[C@H]1COCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231881354 818199801 /nfs/dbraw/zinc/19/98/01/818199801.db2.gz VVHDIVFZADQPQE-QGZVFWFLSA-N 0 1 285.387 3.402 20 10 CGCDMN CO[C@@H](C)C1C[NH+](Cc2ccc3ccccc3c2[O-])C1 ZINC001231882350 818202051 /nfs/dbraw/zinc/20/20/51/818202051.db2.gz HKVQQSYWXQZCQW-LBPRGKRZSA-N 0 1 271.360 3.012 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])[C@@](C)(CO)C1 ZINC001231911024 818209323 /nfs/dbraw/zinc/20/93/23/818209323.db2.gz ZBJGTGYETMBELW-OAHLLOKOSA-N 0 1 283.799 3.029 20 10 CGCDMN CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC001231915054 818210817 /nfs/dbraw/zinc/21/08/17/818210817.db2.gz VSQNEKAAFLVULV-GWCFXTLKSA-N 0 1 299.798 3.065 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001231912490 818212825 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3.336 20 10 CGCDMN CC[N@@H+](CCCF)Cc1cc(Br)ccc1[O-] ZINC000151179959 371579563 /nfs/dbraw/zinc/57/95/63/371579563.db2.gz UZDRVYDDHSHBOQ-UHFFFAOYSA-N 0 1 290.176 3.336 20 10 CGCDMN C[C@H]1Oc2ccccc2[C@H]1NCc1ccc2c(c1)CCO2 ZINC000288609936 371741002 /nfs/dbraw/zinc/74/10/02/371741002.db2.gz QLXKXMWILAIRMT-XIKOKIGWSA-N 0 1 281.355 3.233 20 10 CGCDMN COC[C@@]1(C)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000294149689 372594905 /nfs/dbraw/zinc/59/49/05/372594905.db2.gz HHVFAXRSKKPIAN-SFHVURJKSA-N 0 1 285.387 3.404 20 10 CGCDMN COC[C@@]1(C)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000294149689 372594915 /nfs/dbraw/zinc/59/49/15/372594915.db2.gz HHVFAXRSKKPIAN-SFHVURJKSA-N 0 1 285.387 3.404 20 10 CGCDMN COc1ccncc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000294519666 372657913 /nfs/dbraw/zinc/65/79/13/372657913.db2.gz ZFNGEICUCAWLCF-JTQLQIEISA-N 0 1 292.766 3.300 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000294745506 372670842 /nfs/dbraw/zinc/67/08/42/372670842.db2.gz RBJIMLVPYSYPCG-ZFWWWQNUSA-N 0 1 299.773 3.328 20 10 CGCDMN CCOc1ccc(O)c(CN2CCC[C@@](C)(F)C2)c1 ZINC000296077168 373014987 /nfs/dbraw/zinc/01/49/87/373014987.db2.gz QGDBQJMARHXZNI-OAHLLOKOSA-N 0 1 267.344 3.115 20 10 CGCDMN COC[C@H](N[C@@H]1CCc2cccc(O)c21)c1ccc(C)o1 ZINC000297516795 373273859 /nfs/dbraw/zinc/27/38/59/373273859.db2.gz CWORKZVUKVTSSJ-KGLIPLIRSA-N 0 1 287.359 3.258 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000179678680 373902973 /nfs/dbraw/zinc/90/29/73/373902973.db2.gz BEMUXKKITSMPIT-NSHDSACASA-N 0 1 281.783 3.047 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CC[C@@H](C)C[C@@H]2C)cc1OC ZINC000271752129 378502305 /nfs/dbraw/zinc/50/23/05/378502305.db2.gz VZWDBXZZRZTXTE-NEPJUHHUSA-N 0 1 279.380 3.030 20 10 CGCDMN Oc1ccc(F)cc1CN1CC=C(C(F)(F)F)CC1 ZINC000272314145 378610874 /nfs/dbraw/zinc/61/08/74/378610874.db2.gz SHFREYKEGXSQSX-UHFFFAOYSA-N 0 1 275.245 3.226 20 10 CGCDMN C[C@H]1C[C@H](CC[NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000273051495 378735917 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ZINC000290213853 263115428 /nfs/dbraw/zinc/11/54/28/263115428.db2.gz QUWAWQVJCPLDMN-ZCFIWIBFSA-N 0 1 253.651 3.086 20 10 CGCDMN Cc1cc([C@@H]2CCCN2Cc2cc(C)ccc2O)no1 ZINC000371397238 267399182 /nfs/dbraw/zinc/39/91/82/267399182.db2.gz YSFVOFRUGRVTQJ-HNNXBMFYSA-N 0 1 272.348 3.334 20 10 CGCDMN C[C@H]([NH2+]C1CCC1)c1ccc(Br)cc1[O-] ZINC000273450649 334766058 /nfs/dbraw/zinc/76/60/58/334766058.db2.gz FWZATQPCHPOEMK-QMMMGPOBSA-N 0 1 270.170 3.358 20 10 CGCDMN Cc1c2ccccc2n(C)c1CNCc1ccc(C)cn1 ZINC000355121029 335767092 /nfs/dbraw/zinc/76/70/92/335767092.db2.gz KPFUJZQXRLJCPR-UHFFFAOYSA-N 0 1 279.387 3.480 20 10 CGCDMN CC(=O)c1cc(F)cc(CN2C[C@H]3CCCC[C@H]32)c1O ZINC000368241205 518288306 /nfs/dbraw/zinc/28/83/06/518288306.db2.gz KGWUGTCQUKXTCA-IAQYHMDHSA-N 0 1 277.339 3.108 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H]3CCCC[C@H]32)c1[O-] ZINC000368241205 518288310 /nfs/dbraw/zinc/28/83/10/518288310.db2.gz KGWUGTCQUKXTCA-IAQYHMDHSA-N 0 1 277.339 3.108 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H]3CCCC[C@H]32)c1[O-] ZINC000368241205 518288315 /nfs/dbraw/zinc/28/83/15/518288315.db2.gz KGWUGTCQUKXTCA-IAQYHMDHSA-N 0 1 277.339 3.108 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000291700907 520481461 /nfs/dbraw/zinc/48/14/61/520481461.db2.gz ZBEQVPBDGSRXIB-DZGCQCFKSA-N 0 1 295.810 3.435 20 10 CGCDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](C)C(C)C ZINC000278272276 521331328 /nfs/dbraw/zinc/33/13/28/521331328.db2.gz RVCBHTWBDWRIIR-LLVKDONJSA-N 0 1 296.367 3.175 20 10 CGCDMN C[C@H](CCCO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000094941574 524150318 /nfs/dbraw/zinc/15/03/18/524150318.db2.gz SFURJVSPHVCUHR-CHWSQXEVSA-N 0 1 273.376 3.357 20 10 CGCDMN CCC[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1O ZINC000737021488 572840018 /nfs/dbraw/zinc/84/00/18/572840018.db2.gz VBRWMTFYNDZCFO-UHFFFAOYSA-N 0 1 289.331 3.096 20 10 CGCDMN C[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccncc1 ZINC000749297261 572991832 /nfs/dbraw/zinc/99/18/32/572991832.db2.gz SXWTVGGIEWBDHS-LLVKDONJSA-N 0 1 276.767 3.334 20 10 CGCDMN CCN(Cc1ccoc1)Cc1ccc(OC)c(OC)c1O ZINC000891902243 618373937 /nfs/dbraw/zinc/37/39/37/618373937.db2.gz RASZPDQNCRTLMO-UHFFFAOYSA-N 0 1 291.347 3.025 20 10 CGCDMN CCN(CC)c1ccc(CNCc2ccc(OC)o2)cc1 ZINC000892614440 618874675 /nfs/dbraw/zinc/87/46/75/618874675.db2.gz JMCQNVHFXLVUBB-UHFFFAOYSA-N 0 1 288.391 3.424 20 10 CGCDMN Cc1ccc(O)c(CN2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181920778 619029977 /nfs/dbraw/zinc/02/99/77/619029977.db2.gz MOQGGRGKTCNJKN-GOSISDBHSA-N 0 1 297.398 3.144 20 10 CGCDMN COc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000893683323 619278795 /nfs/dbraw/zinc/27/87/95/619278795.db2.gz GWTFXHUDCHAIMU-GFCCVEGCSA-N 0 1 274.364 3.205 20 10 CGCDMN Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000893910248 619330852 /nfs/dbraw/zinc/33/08/52/619330852.db2.gz ZGAUOBYQPREBIX-HNNXBMFYSA-N 0 1 292.329 3.346 20 10 CGCDMN CCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])o1 ZINC000895155270 619759305 /nfs/dbraw/zinc/75/93/05/619759305.db2.gz GUHVBTIBIMTHGC-UHFFFAOYSA-N 0 1 281.739 3.327 20 10 CGCDMN CN(C)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000020146086 619767191 /nfs/dbraw/zinc/76/71/91/619767191.db2.gz CXXAOCGUKCZUAJ-UHFFFAOYSA-N 0 1 290.794 3.401 20 10 CGCDMN CC(C)[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])N1CCCC1 ZINC000021510128 620211790 /nfs/dbraw/zinc/21/17/90/620211790.db2.gz MQTAFKJRMVTMNM-HNNXBMFYSA-N 0 1 296.842 3.256 20 10 CGCDMN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n[nH]1 ZINC000841752302 620376547 /nfs/dbraw/zinc/37/65/47/620376547.db2.gz SJUMCOKQHAKFRT-KOLCDFICSA-N 0 1 293.798 3.359 20 10 CGCDMN CC[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])OC ZINC000841752991 620388255 /nfs/dbraw/zinc/38/82/55/620388255.db2.gz DLOSENKGTGNMJR-GXSJLCMTSA-N 0 1 257.761 3.121 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCc1ccsc1 ZINC000042599253 621275404 /nfs/dbraw/zinc/27/54/04/621275404.db2.gz GHXHXBCSSATUJI-UHFFFAOYSA-N 0 1 267.781 3.439 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1ccc2ccccc2c1[O-] ZINC000903302091 621668339 /nfs/dbraw/zinc/66/83/39/621668339.db2.gz YULUXJVKORMRPY-AHIWAGSCSA-N 0 1 284.403 3.289 20 10 CGCDMN CC[C@@H]([NH2+]C1CC(CCO)C1)c1cc(Cl)ccc1[O-] ZINC000903330579 621705774 /nfs/dbraw/zinc/70/57/74/621705774.db2.gz RUTOPTOJQJBFKY-MMWSSPAHSA-N 0 1 283.799 3.247 20 10 CGCDMN CCOc1ncccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000151185220 622743644 /nfs/dbraw/zinc/74/36/44/622743644.db2.gz RJHFLLIVXYBRSX-CQSZACIVSA-N 0 1 299.418 3.397 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1[O-] ZINC000228031770 623036806 /nfs/dbraw/zinc/03/68/06/623036806.db2.gz FPYGXRLBWWGRPP-MLGOLLRUSA-N 0 1 291.366 3.498 20 10 CGCDMN CC[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000228631047 623068355 /nfs/dbraw/zinc/06/83/55/623068355.db2.gz GYZAYYXPEDHUOP-LBPRGKRZSA-N 0 1 269.772 3.429 20 10 CGCDMN CS[C@H]1CC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000230698213 623263462 /nfs/dbraw/zinc/26/34/62/623263462.db2.gz RGJOXXVEZKFGQY-ZJUUUORDSA-N 0 1 271.813 3.419 20 10 CGCDMN Cc1cccc(CNCc2ccc3c(c2)CCCO3)n1 ZINC000921554483 625673011 /nfs/dbraw/zinc/67/30/11/625673011.db2.gz BTCWWNBLPFIXRC-UHFFFAOYSA-N 0 1 268.360 3.005 20 10 CGCDMN c1ccc2nc(CNCc3ccc4c(c3)CCO4)ccc2c1 ZINC000921067409 624563986 /nfs/dbraw/zinc/56/39/86/624563986.db2.gz RANSNEBFNAYNQU-UHFFFAOYSA-N 0 1 290.366 3.460 20 10 CGCDMN COc1ccc(CNCc2ccc3c(c2)CCCO3)cc1O ZINC000921657081 625810708 /nfs/dbraw/zinc/81/07/08/625810708.db2.gz YORWHXDEAVYFGD-UHFFFAOYSA-N 0 1 299.370 3.016 20 10 CGCDMN C[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1ccn(C)n1 ZINC000840818804 626321895 /nfs/dbraw/zinc/32/18/95/626321895.db2.gz ZSWVKTAODHHYMS-QWHCGFSZSA-N 0 1 299.418 3.416 20 10 CGCDMN C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000756384720 626699370 /nfs/dbraw/zinc/69/93/70/626699370.db2.gz OFJJPMQTEMZKRC-TVQRCGJNSA-N 0 1 281.739 3.023 20 10 CGCDMN Cc1cc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)on1 ZINC000756542506 626713936 /nfs/dbraw/zinc/71/39/36/626713936.db2.gz AUIWMTDIRDMHQG-PELKAZGASA-N 0 1 276.311 3.166 20 10 CGCDMN CC(C)[C@H](CCO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756610919 626720819 /nfs/dbraw/zinc/72/08/19/626720819.db2.gz URTJYTYCSPKKIN-WXHSDQCUSA-N 0 1 281.371 3.076 20 10 CGCDMN Cc1ccc(O)c([C@@H](C)NCc2csc(N(C)C)n2)c1 ZINC000756637047 626722921 /nfs/dbraw/zinc/72/29/21/626722921.db2.gz LKLUHNWEWMDHAY-LLVKDONJSA-N 0 1 291.420 3.074 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)c2c1c(F)ccc2[O-] ZINC000756644342 626724068 /nfs/dbraw/zinc/72/40/68/626724068.db2.gz ARQYGEGDEDQFPL-BYNQJWBRSA-N 0 1 293.382 3.220 20 10 CGCDMN CC[C@H](O)CCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756736684 626728502 /nfs/dbraw/zinc/72/85/02/626728502.db2.gz CGBBGLYUYDFPCG-PWSUYJOCSA-N 0 1 271.788 3.247 20 10 CGCDMN CCC(CC)(CO)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756770897 626730818 /nfs/dbraw/zinc/73/08/18/626730818.db2.gz PIMHXMPMHLXTDY-DGCLKSJQSA-N 0 1 295.398 3.468 20 10 CGCDMN Cc1cc(CN2CCO[C@H](C3CCC3)C2)ccc1N(C)C ZINC000839623505 626767544 /nfs/dbraw/zinc/76/75/44/626767544.db2.gz FEGNKZUYLIUEPQ-SFHVURJKSA-N 0 1 288.435 3.062 20 10 CGCDMN C[C@@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCO[C@@H]1C1CC1 ZINC000767195211 627389114 /nfs/dbraw/zinc/38/91/14/627389114.db2.gz JTOTWULZBPQVKB-CVEARBPZSA-N 0 1 295.810 3.340 20 10 CGCDMN CCCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H](C)CC ZINC000768439079 627480144 /nfs/dbraw/zinc/48/01/44/627480144.db2.gz GNDQWMJXMPJTRB-WBMJQRKESA-N 0 1 293.407 3.219 20 10 CGCDMN CCCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@H](C)CC ZINC000768439079 627480146 /nfs/dbraw/zinc/48/01/46/627480146.db2.gz GNDQWMJXMPJTRB-WBMJQRKESA-N 0 1 293.407 3.219 20 10 CGCDMN CCN(CC)c1ccc(CN2C[C@H](C)OC[C@@H]2C)cc1 ZINC000768537117 627485553 /nfs/dbraw/zinc/48/55/53/627485553.db2.gz MNGXCONBYSOTOP-GJZGRUSLSA-N 0 1 276.424 3.142 20 10 CGCDMN COCC[N@@H+](Cc1cc(Cl)ccc1O)C1CCCC1 ZINC000768578571 627487137 /nfs/dbraw/zinc/48/71/37/627487137.db2.gz MGIGIWYBEQZZKP-UHFFFAOYSA-N 0 1 283.799 3.437 20 10 CGCDMN COCC[N@H+](Cc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000768578571 627487140 /nfs/dbraw/zinc/48/71/40/627487140.db2.gz MGIGIWYBEQZZKP-UHFFFAOYSA-N 0 1 283.799 3.437 20 10 CGCDMN COCC[N@@H+](Cc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000768578571 627487144 /nfs/dbraw/zinc/48/71/44/627487144.db2.gz MGIGIWYBEQZZKP-UHFFFAOYSA-N 0 1 283.799 3.437 20 10 CGCDMN CCOc1ccc(CN(C)Cc2ccoc2)c(O)c1 ZINC000769004093 627515474 /nfs/dbraw/zinc/51/54/74/627515474.db2.gz JBPLAMMBUMSDIO-UHFFFAOYSA-N 0 1 261.321 3.016 20 10 CGCDMN CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769008074 627516002 /nfs/dbraw/zinc/51/60/02/627516002.db2.gz NIGDDLQBCPTHNY-LLVKDONJSA-N 0 1 284.743 3.328 20 10 CGCDMN CCC[N@H+](Cc1c([O-])cccc1Cl)CC(C)(C)O ZINC000769326301 627541760 /nfs/dbraw/zinc/54/17/60/627541760.db2.gz IPQVXLTXAGIAFQ-UHFFFAOYSA-N 0 1 271.788 3.029 20 10 CGCDMN CCC[N@@H+](Cc1c([O-])cccc1Cl)CC(C)(C)O ZINC000769326301 627541763 /nfs/dbraw/zinc/54/17/63/627541763.db2.gz IPQVXLTXAGIAFQ-UHFFFAOYSA-N 0 1 271.788 3.029 20 10 CGCDMN CCOc1ccc(C[N@H+](C)C(C)(C)CC)c([O-])c1 ZINC000769382852 627546895 /nfs/dbraw/zinc/54/68/95/627546895.db2.gz YBHYHHHFFGKULL-UHFFFAOYSA-N 0 1 251.370 3.411 20 10 CGCDMN CCOc1ccc(C[N@@H+](C)C(C)(C)CC)c([O-])c1 ZINC000769382852 627546900 /nfs/dbraw/zinc/54/69/00/627546900.db2.gz YBHYHHHFFGKULL-UHFFFAOYSA-N 0 1 251.370 3.411 20 10 CGCDMN CN(C)c1ccc(CN2CC=C(C(F)(F)F)CC2)cc1 ZINC000769483772 627559423 /nfs/dbraw/zinc/55/94/23/627559423.db2.gz IXFJRTJPTJNBIZ-UHFFFAOYSA-N 0 1 284.325 3.447 20 10 CGCDMN CCN(CC)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000772597862 627805837 /nfs/dbraw/zinc/80/58/37/627805837.db2.gz CRPVBKSBVBLELC-HUUCEWRRSA-N 0 1 276.424 3.142 20 10 CGCDMN CC[C@H](NCc1ccc(N(C)C)cc1C)c1nccn1C ZINC000775393466 628089117 /nfs/dbraw/zinc/08/91/17/628089117.db2.gz MEOWCSGEQRSEDC-INIZCTEOSA-N 0 1 286.423 3.035 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cc(Cl)ccc1[O-] ZINC000775519125 628103532 /nfs/dbraw/zinc/10/35/32/628103532.db2.gz IRGNPPBKSSRSDK-SMDDNHRTSA-N 0 1 293.798 3.372 20 10 CGCDMN CC[C@@H]([NH2+]C1(COC)CC1)c1cc(Cl)ccc1[O-] ZINC000775540089 628104963 /nfs/dbraw/zinc/10/49/63/628104963.db2.gz IFOHGWIDCYIEOZ-GFCCVEGCSA-N 0 1 269.772 3.265 20 10 CGCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CCCCO1 ZINC000775661391 628121407 /nfs/dbraw/zinc/12/14/07/628121407.db2.gz NDTLLUNGIWGXHO-GFCCVEGCSA-N 0 1 287.762 3.186 20 10 CGCDMN CO[C@@H](C)C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C(C)C ZINC000775713577 628128750 /nfs/dbraw/zinc/12/87/50/628128750.db2.gz JTGBQAMXCKVRSW-JTQLQIEISA-N 0 1 289.778 3.430 20 10 CGCDMN Cc1cc(O)c(CN2CCO[C@@H](C3CC3)C2)cc1C(C)C ZINC000776773750 628230956 /nfs/dbraw/zinc/23/09/56/628230956.db2.gz VSVQADZQSCGRTH-GOSISDBHSA-N 0 1 289.419 3.435 20 10 CGCDMN CC[C@H]([NH2+]CC1(CCO)CC1)c1cc(Cl)ccc1[O-] ZINC000779086409 628387787 /nfs/dbraw/zinc/38/77/87/628387787.db2.gz VSEFRNXJNHEEGJ-ZDUSSCGKSA-N 0 1 283.799 3.249 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000779188663 628393303 /nfs/dbraw/zinc/39/33/03/628393303.db2.gz WPHMVABUTCMNFH-OAHLLOKOSA-N 0 1 295.810 3.437 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000779188663 628393306 /nfs/dbraw/zinc/39/33/06/628393306.db2.gz WPHMVABUTCMNFH-OAHLLOKOSA-N 0 1 295.810 3.437 20 10 CGCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC000779432153 628413020 /nfs/dbraw/zinc/41/30/20/628413020.db2.gz LWWFKQKMIRTPAR-GXTWGEPZSA-N 0 1 297.826 3.275 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC000779432156 628413388 /nfs/dbraw/zinc/41/33/88/628413388.db2.gz LWWFKQKMIRTPAR-TZMCWYRMSA-N 0 1 297.826 3.275 20 10 CGCDMN C[C@H]1C[C@H](C)[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792166871 629342436 /nfs/dbraw/zinc/34/24/36/629342436.db2.gz UVEWYSSFBCZNIK-IUCAKERBSA-N 0 1 257.736 3.415 20 10 CGCDMN CC[C@]1(C)CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000792179112 629345878 /nfs/dbraw/zinc/34/58/78/629345878.db2.gz HIJAKCZHISFKEZ-CQSZACIVSA-N 0 1 287.762 3.186 20 10 CGCDMN C[C@@H]1C[C@H](C)[N@H+]1Cc1c([O-])cccc1Br ZINC000862351337 629347414 /nfs/dbraw/zinc/34/74/14/629347414.db2.gz NBYGCIFRJVBLBW-DTORHVGOSA-N 0 1 270.170 3.137 20 10 CGCDMN C[C@@H]1C[C@H](C)[N@@H+]1Cc1c([O-])cccc1Br ZINC000862351337 629347415 /nfs/dbraw/zinc/34/74/15/629347415.db2.gz NBYGCIFRJVBLBW-DTORHVGOSA-N 0 1 270.170 3.137 20 10 CGCDMN CN(C)c1cc(F)c(CN2CC[C@H]2C2CC2)cc1F ZINC000862385002 629358928 /nfs/dbraw/zinc/35/89/28/629358928.db2.gz NMMGQHVYFVLXHA-AWEZNQCLSA-N 0 1 266.335 3.015 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@]23C[C@@H]2COC3(C)C)cc1Cl ZINC000862468717 629384280 /nfs/dbraw/zinc/38/42/80/629384280.db2.gz MLUCKRAMYBUEBE-ABAIWWIYSA-N 0 1 281.783 3.011 20 10 CGCDMN COc1cccc(CNc2cc[nH+]c3c([O-])cccc23)c1O ZINC000795087228 629630884 /nfs/dbraw/zinc/63/08/84/629630884.db2.gz YOZHISNUFCZRHV-UHFFFAOYSA-N 0 1 296.326 3.267 20 10 CGCDMN Cc1noc([C@@H]2CCCN2Cc2cc(C)cc(C)c2O)n1 ZINC000795749529 629713599 /nfs/dbraw/zinc/71/35/99/629713599.db2.gz JENXQLNLMJFGSQ-AWEZNQCLSA-N 0 1 287.363 3.038 20 10 CGCDMN C[S@@](=O)c1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864027105 629731369 /nfs/dbraw/zinc/73/13/69/629731369.db2.gz SEMUZCXOTISCMP-HXUWFJFHSA-N 0 1 297.326 3.020 20 10 CGCDMN C[C@@H](NCc1cn(C2CC2)cn1)c1ccc(N(C)C)cc1 ZINC000865532239 630172206 /nfs/dbraw/zinc/17/22/06/630172206.db2.gz VQXQMNJIHGKBPD-CYBMUJFWSA-N 0 1 284.407 3.135 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c(Cl)c1 ZINC000865689614 630360586 /nfs/dbraw/zinc/36/05/86/630360586.db2.gz KVZIEIBZCKSHEM-OUJBWJOFSA-N 0 1 269.772 3.010 20 10 CGCDMN COc1ccc2c(c1)OCCN(Cc1cc(C)ccc1O)C2 ZINC000802659674 630403944 /nfs/dbraw/zinc/40/39/44/630403944.db2.gz RKEZMTPAFPVYQV-UHFFFAOYSA-N 0 1 299.370 3.104 20 10 CGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccco1 ZINC000807837947 630600005 /nfs/dbraw/zinc/60/00/05/630600005.db2.gz GNDRCNPRRHVFFT-UHFFFAOYSA-N 0 1 286.114 3.222 20 10 CGCDMN CS[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000865734342 630606451 /nfs/dbraw/zinc/60/64/51/630606451.db2.gz UCNZISWYQYKCBU-XYPYZODXSA-N 0 1 257.786 3.029 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000808451376 630646104 /nfs/dbraw/zinc/64/61/04/630646104.db2.gz MXZXGSPJFFWWQH-LBPRGKRZSA-N 0 1 289.762 3.311 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C3CC3)C2)c1[O-] ZINC000808778278 630677553 /nfs/dbraw/zinc/67/75/53/630677553.db2.gz QOKPFLJJPXGAQW-ZDUSSCGKSA-N 0 1 291.366 3.356 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237219 630857849 /nfs/dbraw/zinc/85/78/49/630857849.db2.gz ABTGFJMTCPKKHS-SKDRFNHKSA-N 0 1 291.313 3.487 20 10 CGCDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CCc2sccc2C1 ZINC000876558721 634856737 /nfs/dbraw/zinc/85/67/37/634856737.db2.gz PJCQNQADIZGDOC-UHFFFAOYSA-N 0 1 281.327 3.290 20 10 CGCDMN Cc1cc(CN(C)Cc2ccoc2)ccc1N(C)C ZINC000815022240 631704593 /nfs/dbraw/zinc/70/45/93/631704593.db2.gz VMHYNDPKFWGEIS-UHFFFAOYSA-N 0 1 258.365 3.286 20 10 CGCDMN CCN(C)c1ccc(CN2C[C@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000815102642 631717333 /nfs/dbraw/zinc/71/73/33/631717333.db2.gz LDLHZHOHEDMIPK-KBXCAEBGSA-N 0 1 288.435 3.142 20 10 CGCDMN Cc1cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)ccc1N(C)C ZINC000815102211 631717519 /nfs/dbraw/zinc/71/75/19/631717519.db2.gz HEPMETZQIIASQG-RDTXWAMCSA-N 0 1 288.435 3.060 20 10 CGCDMN Cc1cc(C)c([C@@H](C)NCc2cscn2)c(O)c1 ZINC000815571779 631796354 /nfs/dbraw/zinc/79/63/54/631796354.db2.gz LZTWMVWYEIKNKQ-LLVKDONJSA-N 0 1 262.378 3.316 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H]1C ZINC000816519991 632002803 /nfs/dbraw/zinc/00/28/03/632002803.db2.gz CBKIAPARQRZDEF-IUCAKERBSA-N 0 1 257.736 3.415 20 10 CGCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@H]1CCOC1 ZINC000816519047 632003400 /nfs/dbraw/zinc/00/34/00/632003400.db2.gz WNQJDUINJUTRLF-CYBMUJFWSA-N 0 1 271.360 3.014 20 10 CGCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@H]1CCOC1 ZINC000816519047 632003406 /nfs/dbraw/zinc/00/34/06/632003406.db2.gz WNQJDUINJUTRLF-CYBMUJFWSA-N 0 1 271.360 3.014 20 10 CGCDMN CC(C)OCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816529026 632004557 /nfs/dbraw/zinc/00/45/57/632004557.db2.gz DDPREPCAGBSDJR-UHFFFAOYSA-N 0 1 273.376 3.450 20 10 CGCDMN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549207 632008695 /nfs/dbraw/zinc/00/86/95/632008695.db2.gz HPQZIGFPIWOVNZ-UGSOOPFHSA-N 0 1 287.403 3.432 20 10 CGCDMN CN(C)c1cc[nH+]c(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816567653 632015003 /nfs/dbraw/zinc/01/50/03/632015003.db2.gz IJVPZPNEYDRFNZ-UHFFFAOYSA-N 0 1 295.745 3.258 20 10 CGCDMN CN(C)C1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCC1 ZINC000816586310 632017948 /nfs/dbraw/zinc/01/79/48/632017948.db2.gz FKAPJLONNKWSHC-UHFFFAOYSA-N 0 1 284.403 3.119 20 10 CGCDMN C[C@H]1CSCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816591844 632018874 /nfs/dbraw/zinc/01/88/74/632018874.db2.gz PMXCBSKHRMPDDM-SECBINFHSA-N 0 1 289.803 3.370 20 10 CGCDMN C[C@@H]([NH2+]CCCC1(O)CCC1)c1cc(Cl)ccc1[O-] ZINC000817587597 632193203 /nfs/dbraw/zinc/19/32/03/632193203.db2.gz ZGXZFBSCPALDLF-LLVKDONJSA-N 0 1 283.799 3.391 20 10 CGCDMN CC[NH2+]CCN[C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817951656 632247967 /nfs/dbraw/zinc/24/79/67/632247967.db2.gz IXGKBCYXUJGENF-NSHDSACASA-N 0 1 291.222 3.349 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](N)C(C)C)c1cccc(Cl)c1[O-] ZINC000817959793 632255329 /nfs/dbraw/zinc/25/53/29/632255329.db2.gz VCANBWMHRWJHNU-QWHCGFSZSA-N 0 1 270.804 3.070 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000865754647 632879301 /nfs/dbraw/zinc/87/93/01/632879301.db2.gz YNMGDVQMTLCAPU-RKDXNWHRSA-N 0 1 265.662 3.086 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000865874777 632934638 /nfs/dbraw/zinc/93/46/38/632934638.db2.gz IOZBCLPGAOVONH-HNNXBMFYSA-N 0 1 283.799 3.076 20 10 CGCDMN Cc1ccc(O)c([C@@H](C)NCc2nn(C)cc2C(F)F)c1 ZINC000866564972 633197419 /nfs/dbraw/zinc/19/74/19/633197419.db2.gz GOZILCVEDRXZJZ-SNVBAGLBSA-N 0 1 295.333 3.223 20 10 CGCDMN CC[C@@H](NCc1cc(Cl)c(F)cc1O)C(F)F ZINC000824514731 633251147 /nfs/dbraw/zinc/25/11/47/633251147.db2.gz BYUAHXXPWDPUGH-SECBINFHSA-N 0 1 267.678 3.318 20 10 CGCDMN F[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824570692 633260819 /nfs/dbraw/zinc/26/08/19/633260819.db2.gz DSNCIOSBYMWMDE-OAHLLOKOSA-N 0 1 262.372 3.221 20 10 CGCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824650985 633268549 /nfs/dbraw/zinc/26/85/49/633268549.db2.gz RPKPIVHJRJFBQY-GFCCVEGCSA-N 0 1 282.181 3.139 20 10 CGCDMN C[C@H](CCCCO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824654952 633270154 /nfs/dbraw/zinc/27/01/54/633270154.db2.gz SKSXJXNGNQKFMF-CYBMUJFWSA-N 0 1 273.376 3.186 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC000824814738 633295069 /nfs/dbraw/zinc/29/50/69/633295069.db2.gz FAZHKJUQFPUFSP-NOZJJQNGSA-N 0 1 287.762 3.042 20 10 CGCDMN COc1ccc2c(c1)CN(Cc1cccc(C)c1O)CCO2 ZINC000824908619 633304145 /nfs/dbraw/zinc/30/41/45/633304145.db2.gz AHKOOZLYBZOPGC-UHFFFAOYSA-N 0 1 299.370 3.104 20 10 CGCDMN CCn1ccnc1[C@H](C)NCc1cc(Cl)ccc1O ZINC000825005706 633316266 /nfs/dbraw/zinc/31/62/66/633316266.db2.gz QDMGOIPFKQLDAE-JTQLQIEISA-N 0 1 279.771 3.113 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)C[C@@H](C)O)cc1Cl ZINC000825297291 633342684 /nfs/dbraw/zinc/34/26/84/633342684.db2.gz ABQZLNBHSCRUSR-LLVKDONJSA-N 0 1 285.815 3.241 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)c2ccsc2)cc1Cl ZINC000825291763 633342854 /nfs/dbraw/zinc/34/28/54/633342854.db2.gz PMKDRWCVDIMOBK-AWEZNQCLSA-N 0 1 297.807 3.239 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCOC(C)(C)C2)cc1Cl ZINC000825384598 633351007 /nfs/dbraw/zinc/35/10/07/633351007.db2.gz GBWYPQUSWVXMIH-LBPRGKRZSA-N 0 1 283.799 3.401 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCO[C@H](C)C2)cc1Cl ZINC000825406514 633353233 /nfs/dbraw/zinc/35/32/33/633353233.db2.gz UPQVHABOBHFTRN-VXGBXAGGSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CCc2ccccn2)cc1Cl ZINC000825501140 633358583 /nfs/dbraw/zinc/35/85/83/633358583.db2.gz LJWDFOHHJZXTOG-UHFFFAOYSA-N 0 1 290.794 3.424 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CCc2ccccn2)cc1Cl ZINC000825501140 633358585 /nfs/dbraw/zinc/35/85/85/633358585.db2.gz LJWDFOHHJZXTOG-UHFFFAOYSA-N 0 1 290.794 3.424 20 10 CGCDMN Cc1cccc(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])n1 ZINC000825738866 633379365 /nfs/dbraw/zinc/37/93/65/633379365.db2.gz UZHCQFKOPIDMGO-UHFFFAOYSA-N 0 1 290.794 3.390 20 10 CGCDMN CO[C@@]1(C)CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825737672 633379568 /nfs/dbraw/zinc/37/95/68/633379568.db2.gz CZWKUWYPYNQGER-HNNXBMFYSA-N 0 1 283.799 3.355 20 10 CGCDMN CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825737672 633379572 /nfs/dbraw/zinc/37/95/72/633379572.db2.gz CZWKUWYPYNQGER-HNNXBMFYSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCC(C)(F)F)cc1Cl ZINC000826030141 633399675 /nfs/dbraw/zinc/39/96/75/633399675.db2.gz PNWZPQPZWOGROU-UHFFFAOYSA-N 0 1 263.715 3.489 20 10 CGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000826043189 633400722 /nfs/dbraw/zinc/40/07/22/633400722.db2.gz FRERHKCQBCILKD-GFCCVEGCSA-N 0 1 282.181 3.139 20 10 CGCDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000826043189 633400729 /nfs/dbraw/zinc/40/07/29/633400729.db2.gz FRERHKCQBCILKD-GFCCVEGCSA-N 0 1 282.181 3.139 20 10 CGCDMN CO[C@@H]([C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000826089361 633404456 /nfs/dbraw/zinc/40/44/56/633404456.db2.gz FRJOQWWOQGNRBI-BONVTDFDSA-N 0 1 283.799 3.257 20 10 CGCDMN COCC[C@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826120690 633405264 /nfs/dbraw/zinc/40/52/64/633405264.db2.gz HQQLYWOGIMWVFJ-JTQLQIEISA-N 0 1 271.788 3.116 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CS[C@H](C)C2)cc1Cl ZINC000826120273 633406269 /nfs/dbraw/zinc/40/62/69/633406269.db2.gz ARGLVNQWFSDIBB-MWLCHTKSSA-N 0 1 271.813 3.338 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H](C)COCC2CC2)cc1Cl ZINC000826140100 633407373 /nfs/dbraw/zinc/40/73/73/633407373.db2.gz YBSRWXKAIMUGTN-LLVKDONJSA-N 0 1 283.799 3.259 20 10 CGCDMN C[C@H](CSCCF)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000826139502 633407906 /nfs/dbraw/zinc/40/79/06/633407906.db2.gz DNMJYMZJCFTUHW-SECBINFHSA-N 0 1 277.792 3.226 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@H]3C[C@H]3C2)ccc2ccccc21 ZINC000827506776 633495462 /nfs/dbraw/zinc/49/54/62/633495462.db2.gz LTLFNSPSDOTGLQ-ZFWWWQNUSA-N 0 1 253.345 3.387 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@H]3C[C@H]3C2)ccc2ccccc21 ZINC000827506776 633495465 /nfs/dbraw/zinc/49/54/65/633495465.db2.gz LTLFNSPSDOTGLQ-ZFWWWQNUSA-N 0 1 253.345 3.387 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506497 633495707 /nfs/dbraw/zinc/49/57/07/633495707.db2.gz HRVZVPLGOSBJJY-RKDXNWHRSA-N 0 1 255.720 3.027 20 10 CGCDMN Cc1cc(Cl)cc(CN2CCCc3n[nH]cc3C2)c1O ZINC000828013772 633547877 /nfs/dbraw/zinc/54/78/77/633547877.db2.gz KERFALJPLGWGRY-UHFFFAOYSA-N 0 1 291.782 3.026 20 10 CGCDMN CC[C@H]([NH2+]CC[C@@H](C)CCO)c1cc(Cl)ccc1[O-] ZINC000834832207 634251451 /nfs/dbraw/zinc/25/14/51/634251451.db2.gz MTMIENNOBGGKKO-RISCZKNCSA-N 0 1 285.815 3.495 20 10 CGCDMN COc1cccnc1CN[C@H](C)c1c(C)cc(C)cc1O ZINC000834907224 634283456 /nfs/dbraw/zinc/28/34/56/634283456.db2.gz YYQGDHOBBGIBMT-CYBMUJFWSA-N 0 1 286.375 3.263 20 10 CGCDMN COc1cccnc1CN[C@H](C)c1ccc(C)c(C)c1O ZINC000834907182 634283515 /nfs/dbraw/zinc/28/35/15/634283515.db2.gz YANYURJNPLSOAE-CYBMUJFWSA-N 0 1 286.375 3.263 20 10 CGCDMN CN(C)c1ccc(/C=C/CN(C)Cc2ccncc2)cc1 ZINC000835047285 634334284 /nfs/dbraw/zinc/33/42/84/634334284.db2.gz FSIJSBIQZLFRTH-SNAWJCMRSA-N 0 1 281.403 3.293 20 10 CGCDMN CCCO[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876720167 634885810 /nfs/dbraw/zinc/88/58/10/634885810.db2.gz CNOSWKLHUNTNIB-CYBMUJFWSA-N 0 1 299.361 3.452 20 10 CGCDMN [O-]c1c(C[N@H+]2CC=C(C(F)(F)F)CC2)ccc(F)c1F ZINC000876762584 634895199 /nfs/dbraw/zinc/89/51/99/634895199.db2.gz DEHBKRNUSBZJAS-UHFFFAOYSA-N 0 1 293.235 3.365 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC=C(C(F)(F)F)CC2)ccc(F)c1F ZINC000876762584 634895202 /nfs/dbraw/zinc/89/52/02/634895202.db2.gz DEHBKRNUSBZJAS-UHFFFAOYSA-N 0 1 293.235 3.365 20 10 CGCDMN Cc1cccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])n1 ZINC000876763507 634895412 /nfs/dbraw/zinc/89/54/12/634895412.db2.gz OZSQYGFPCCELHN-UHFFFAOYSA-N 0 1 278.302 3.006 20 10 CGCDMN Cc1ccc(CN2CCO[C@@H](c3ccsc3)C2)c(O)c1 ZINC000876778939 634898257 /nfs/dbraw/zinc/89/82/57/634898257.db2.gz SNQRILQFDAPHRM-MRXNPFEDSA-N 0 1 289.400 3.336 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@H](OCC3CC3)C2)ccc(F)c1F ZINC000877425520 635038739 /nfs/dbraw/zinc/03/87/39/635038739.db2.gz CLWWPCSLFWYVPV-ZDUSSCGKSA-N 0 1 297.345 3.061 20 10 CGCDMN CCn1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])c1 ZINC000877472463 635049821 /nfs/dbraw/zinc/04/98/21/635049821.db2.gz TXXKKQDVXGMRNX-UHFFFAOYSA-N 0 1 280.318 3.124 20 10 CGCDMN CCn1ccc(CN[C@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000840840502 635062089 /nfs/dbraw/zinc/06/20/89/635062089.db2.gz ILUQKLGFYKZHTF-LLVKDONJSA-N 0 1 293.798 3.421 20 10 CGCDMN CCn1ccc(CN[C@@H](C)c2c(C)cc(C)cc2O)n1 ZINC000840841254 635062615 /nfs/dbraw/zinc/06/26/15/635062615.db2.gz YMHRIIFLVPAHJS-ZDUSSCGKSA-N 0 1 273.380 3.076 20 10 CGCDMN CO[C@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)C(C)C ZINC000840901524 635079317 /nfs/dbraw/zinc/07/93/17/635079317.db2.gz KFYBJINXNZRILI-CQSZACIVSA-N 0 1 271.788 3.115 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c(Cl)c1 ZINC000840908748 635080570 /nfs/dbraw/zinc/08/05/70/635080570.db2.gz WKGANINXRAAMCO-VXGBXAGGSA-N 0 1 283.799 3.259 20 10 CGCDMN C[C@@]12CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]1C2(F)F ZINC000877543516 635081968 /nfs/dbraw/zinc/08/19/68/635081968.db2.gz HCYHRKAVOJJBSE-GXFFZTMASA-N 0 1 289.272 3.148 20 10 CGCDMN CCC(O)(CC)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840942372 635087826 /nfs/dbraw/zinc/08/78/26/635087826.db2.gz ZZNCBGQBVQFKRV-UHFFFAOYSA-N 0 1 285.815 3.385 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CS[C@H](C)C2)c(Cl)c1 ZINC000840959437 635094319 /nfs/dbraw/zinc/09/43/19/635094319.db2.gz VMSGPVXXRPDPMO-ZJUUUORDSA-N 0 1 271.813 3.338 20 10 CGCDMN C[C@H]1CC2(C[N@H+]1Cc1ccc(F)c(F)c1[O-])CCOCC2 ZINC000877608051 635109492 /nfs/dbraw/zinc/10/94/92/635109492.db2.gz PLLGEVUACBAULM-NSHDSACASA-N 0 1 297.345 3.061 20 10 CGCDMN COCc1cccc(CN2Cc3cccc(O)c3C2)c1 ZINC000877703119 635155185 /nfs/dbraw/zinc/15/51/85/635155185.db2.gz SAQOACPWNADPIC-UHFFFAOYSA-N 0 1 269.344 3.054 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000841746023 635222400 /nfs/dbraw/zinc/22/24/00/635222400.db2.gz UGIHWHDYCFCQRK-CMPLNLGQSA-N 0 1 269.772 3.265 20 10 CGCDMN COC1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841752119 635225735 /nfs/dbraw/zinc/22/57/35/635225735.db2.gz FZTBYIJOUWHQBA-SNVBAGLBSA-N 0 1 269.772 3.265 20 10 CGCDMN COc1c([O-])c(C[N@@H+](C)CCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000843425453 635670137 /nfs/dbraw/zinc/67/01/37/635670137.db2.gz ORDGKXVOZJVYLU-UHFFFAOYSA-N 0 1 296.367 3.177 20 10 CGCDMN CCN(C)c1ccc(CN[C@@H](C)c2nccnc2C)cc1 ZINC000880108580 635915870 /nfs/dbraw/zinc/91/58/70/635915870.db2.gz BXWYTWFZSIFZMM-AWEZNQCLSA-N 0 1 284.407 3.092 20 10 CGCDMN CN(Cc1c(O)ccc2ccccc21)C[C@@H]1CCC[N@@H+]1C ZINC000211291234 636068077 /nfs/dbraw/zinc/06/80/77/636068077.db2.gz DBQZSMHYKRJWKR-HNNXBMFYSA-N 0 1 284.403 3.071 20 10 CGCDMN CN(Cc1c(O)ccc2ccccc21)C[C@@H]1CCC[N@H+]1C ZINC000211291234 636068079 /nfs/dbraw/zinc/06/80/79/636068079.db2.gz DBQZSMHYKRJWKR-HNNXBMFYSA-N 0 1 284.403 3.071 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000846188947 636156351 /nfs/dbraw/zinc/15/63/51/636156351.db2.gz RGQHPVYZDNIWNG-DIFFPNOSSA-N 0 1 293.382 3.387 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2nc(C(C)C)c[nH]2)c1 ZINC000883156328 636559346 /nfs/dbraw/zinc/55/93/46/636559346.db2.gz LAYCYMAHBQLAAK-NSHDSACASA-N 0 1 289.379 3.098 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CCCCO1 ZINC000848575589 636614108 /nfs/dbraw/zinc/61/41/08/636614108.db2.gz SUIKUKCRALTQLM-HIFRSBDPSA-N 0 1 283.799 3.483 20 10 CGCDMN C[C@H]([NH2+]CCc1ccns1)c1ccc(Cl)cc1[O-] ZINC000883247631 636617334 /nfs/dbraw/zinc/61/73/34/636617334.db2.gz QVXWJUKKGKHTED-VIFPVBQESA-N 0 1 282.796 3.395 20 10 CGCDMN CCc1cccc(CNCc2cn3cc(C)ccc3n2)c1O ZINC000848896176 636679923 /nfs/dbraw/zinc/67/99/23/636679923.db2.gz UMQITOFOSVWFQD-UHFFFAOYSA-N 0 1 295.386 3.201 20 10 CGCDMN COc1cccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1O ZINC000132568263 636820153 /nfs/dbraw/zinc/82/01/53/636820153.db2.gz VSBJZPULEQAVDP-NSHDSACASA-N 0 1 251.370 3.267 20 10 CGCDMN CN(C)c1ccc(CN[C@H]2CCc3cccnc32)cc1F ZINC000886519477 637550839 /nfs/dbraw/zinc/55/08/39/637550839.db2.gz WEPKAVJXJMAOKB-HNNXBMFYSA-N 0 1 285.366 3.064 20 10 CGCDMN CN(C)c1ccc(CN[C@@H]2CCc3cccnc32)cc1F ZINC000886519478 637552034 /nfs/dbraw/zinc/55/20/34/637552034.db2.gz WEPKAVJXJMAOKB-OAHLLOKOSA-N 0 1 285.366 3.064 20 10 CGCDMN COC[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000112961105 638140068 /nfs/dbraw/zinc/14/00/68/638140068.db2.gz XLRMPANEOHKRFL-CQSZACIVSA-N 0 1 285.387 3.404 20 10 CGCDMN COC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000112961105 638140072 /nfs/dbraw/zinc/14/00/72/638140072.db2.gz XLRMPANEOHKRFL-CQSZACIVSA-N 0 1 285.387 3.404 20 10 CGCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1cc(O)cc(F)c1 ZINC000924900771 638423153 /nfs/dbraw/zinc/42/31/53/638423153.db2.gz PAOSNNHQIWIZJH-NSHDSACASA-N 0 1 287.334 3.317 20 10 CGCDMN CC(C)CC[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000858486262 638737791 /nfs/dbraw/zinc/73/77/91/638737791.db2.gz SQWIBXKDPXBQIP-DGCLKSJQSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@H]([NH2+]Cc1ccc[nH]c1=O)c1cc(Cl)ccc1[O-] ZINC000858562361 638762011 /nfs/dbraw/zinc/76/20/11/638762011.db2.gz BRWDQFMIWGOWMQ-ZDUSSCGKSA-N 0 1 292.766 3.387 20 10 CGCDMN CC[C@@H](NCc1cc(OC)ccc1O)c1nccs1 ZINC000080256400 640459469 /nfs/dbraw/zinc/45/94/69/640459469.db2.gz MIPNHDSBQZXJOD-GFCCVEGCSA-N 0 1 278.377 3.098 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000156104302 799064929 /nfs/dbraw/zinc/06/49/29/799064929.db2.gz IHQZWQHABIWALY-PHIMTYICSA-N 0 1 251.757 3.278 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000156104302 799064931 /nfs/dbraw/zinc/06/49/31/799064931.db2.gz IHQZWQHABIWALY-PHIMTYICSA-N 0 1 251.757 3.278 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000156104532 799065277 /nfs/dbraw/zinc/06/52/77/799065277.db2.gz IHQZWQHABIWALY-QWRGUYRKSA-N 0 1 251.757 3.278 20 10 CGCDMN C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc2ccccc2c1[O-] ZINC000386955995 799441858 /nfs/dbraw/zinc/44/18/58/799441858.db2.gz OFYZTMZHZLDEDC-SGTLLEGYSA-N 0 1 285.387 3.357 20 10 CGCDMN Oc1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc1O ZINC000388965005 799458760 /nfs/dbraw/zinc/45/87/60/799458760.db2.gz UFKOAOLMINNSSG-UHFFFAOYSA-N 0 1 278.670 3.434 20 10 CGCDMN C[C@H]([NH2+]CCC1(CO)CC1)c1ccc2ccccc2c1[O-] ZINC000395851734 799507459 /nfs/dbraw/zinc/50/74/59/799507459.db2.gz MCRYPAQXNMCGAN-ZDUSSCGKSA-N 0 1 285.387 3.359 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CS1 ZINC000397927505 799523198 /nfs/dbraw/zinc/52/31/98/799523198.db2.gz KRRGZKYFIYPTML-KCJUWKMLSA-N 0 1 257.786 3.029 20 10 CGCDMN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CS1 ZINC000689641163 799768027 /nfs/dbraw/zinc/76/80/27/799768027.db2.gz JXJSWQIOGCYXLA-BXKDBHETSA-N 0 1 271.813 3.419 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CC=CCC1 ZINC000691426151 799783595 /nfs/dbraw/zinc/78/35/95/799783595.db2.gz GTELVJZVRROCRW-GFCCVEGCSA-N 0 1 282.181 3.353 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000698942085 799857893 /nfs/dbraw/zinc/85/78/93/799857893.db2.gz KGXQGGCUOJSLOZ-GWCFXTLKSA-N 0 1 296.208 3.290 20 10 CGCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C1CC1 ZINC000706834225 799967714 /nfs/dbraw/zinc/96/77/14/799967714.db2.gz PDNIEVXFVQKMKB-MRVPVSSYSA-N 0 1 270.170 3.043 20 10 CGCDMN CC(C)([NH2+]Cc1c([O-])cccc1Br)C1CC1 ZINC000706857894 799968804 /nfs/dbraw/zinc/96/88/04/799968804.db2.gz MAUKOUIHGSTIFJ-UHFFFAOYSA-N 0 1 284.197 3.433 20 10 CGCDMN COCC(C)(C)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000718741930 800220375 /nfs/dbraw/zinc/22/03/75/800220375.db2.gz UPZZEAPSXJURNZ-UHFFFAOYSA-N 0 1 271.788 3.198 20 10 CGCDMN CCOC1CCC([N@H+]2CCc3cccc(O)c3C2)CC1 ZINC001256445975 806901689 /nfs/dbraw/zinc/90/16/89/806901689.db2.gz YHLZZDWZLWPFES-UHFFFAOYSA-N 0 1 275.392 3.098 20 10 CGCDMN C[C@H]1CN(Cc2ccc(N)cc2)C[C@H](c2ccccc2)O1 ZINC001120370840 802742259 /nfs/dbraw/zinc/74/22/59/802742259.db2.gz HFCZNANCPHISME-KBXCAEBGSA-N 0 1 282.387 3.231 20 10 CGCDMN CCc1ccc([C@@H]2CN(Cc3ccc(N)cc3)CCO2)cc1 ZINC001120371157 802742512 /nfs/dbraw/zinc/74/25/12/802742512.db2.gz SPAHVHZTOKVMOC-IBGZPJMESA-N 0 1 296.414 3.405 20 10 CGCDMN CN1CCCc2cc(CN3CCc4ccncc4C3)ccc21 ZINC001138356501 803900409 /nfs/dbraw/zinc/90/04/09/803900409.db2.gz PMZOPANBNGYNBO-UHFFFAOYSA-N 0 1 293.414 3.022 20 10 CGCDMN CC(=O)[C@H]1CCCCN1Cc1ccc2c(c1)CCCN2C ZINC001138355787 803901514 /nfs/dbraw/zinc/90/15/14/803901514.db2.gz CTZYVZDRSPDTHS-QGZVFWFLSA-N 0 1 286.419 3.013 20 10 CGCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)CCC1CC1 ZINC001139130411 804133786 /nfs/dbraw/zinc/13/37/86/804133786.db2.gz DJGNIVMZWGTERC-UHFFFAOYSA-N 0 1 287.359 3.039 20 10 CGCDMN C[N@H+](Cc1c(F)ccc(F)c1[O-])C[C@H]1CC1(C)C ZINC001139685064 804253170 /nfs/dbraw/zinc/25/31/70/804253170.db2.gz AAJODLJFNAJBFO-SECBINFHSA-N 0 1 255.308 3.148 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC001139686224 804254467 /nfs/dbraw/zinc/25/44/67/804254467.db2.gz QODJXFBCYCEJJA-UHFFFAOYSA-N 0 1 293.288 3.368 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCc2ccc(F)cc2C1 ZINC001139686224 804254472 /nfs/dbraw/zinc/25/44/72/804254472.db2.gz QODJXFBCYCEJJA-UHFFFAOYSA-N 0 1 293.288 3.368 20 10 CGCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)[C@@](C)(CO)C1 ZINC001140337840 804418342 /nfs/dbraw/zinc/41/83/42/804418342.db2.gz IWFAZAVBOPPWFY-OAHLLOKOSA-N 0 1 283.799 3.029 20 10 CGCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)[C@@](C)(CO)C1 ZINC001140337840 804418345 /nfs/dbraw/zinc/41/83/45/804418345.db2.gz IWFAZAVBOPPWFY-OAHLLOKOSA-N 0 1 283.799 3.029 20 10 CGCDMN CN(Cc1c(O)cccc1Cl)C1CC(F)(F)C1 ZINC001140337954 804418796 /nfs/dbraw/zinc/41/87/96/804418796.db2.gz OORLIWHWLBRJCD-UHFFFAOYSA-N 0 1 261.699 3.275 20 10 CGCDMN COCCC1CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140466919 804443492 /nfs/dbraw/zinc/44/34/92/804443492.db2.gz MFHLMWPCXYWIEE-UHFFFAOYSA-N 0 1 283.799 3.294 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001140583491 804465858 /nfs/dbraw/zinc/46/58/58/804465858.db2.gz IWBIRWKFDWNNBF-YGRLFVJLSA-N 0 1 267.319 3.435 20 10 CGCDMN Cc1ccc(C[N@@H+](C)CC2CC(F)(F)C2)c(O)c1 ZINC001140950851 804557318 /nfs/dbraw/zinc/55/73/18/804557318.db2.gz KVKLSZSNJJMFTO-UHFFFAOYSA-N 0 1 255.308 3.178 20 10 CGCDMN CCCC[N@H+](CCC)Cc1c([O-])cc(OC)cc1OC ZINC001141027017 804573607 /nfs/dbraw/zinc/57/36/07/804573607.db2.gz KGKHUOWAQMFUQG-UHFFFAOYSA-N 0 1 281.396 3.422 20 10 CGCDMN CCCC[N@@H+](CCC)Cc1c([O-])cc(OC)cc1OC ZINC001141027017 804573608 /nfs/dbraw/zinc/57/36/08/804573608.db2.gz KGKHUOWAQMFUQG-UHFFFAOYSA-N 0 1 281.396 3.422 20 10 CGCDMN Cc1cc(CN2CCC[C@@H]3C[C@@H]32)c(O)cc1Br ZINC001250133659 805434591 /nfs/dbraw/zinc/43/45/91/805434591.db2.gz NPGJVXPDIKDSBR-MFKMUULPSA-N 0 1 296.208 3.447 20 10 CGCDMN Cc1[nH]ncc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256975387 807021861 /nfs/dbraw/zinc/02/18/61/807021861.db2.gz YBWJDODTGLGHAV-UHFFFAOYSA-N 0 1 291.314 3.226 20 10 CGCDMN CC[C@@H](C)C[C@H](CC)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001258781857 807608294 /nfs/dbraw/zinc/60/82/94/807608294.db2.gz GQWNFZHUEJQBEL-YPMHNXCESA-N 0 1 279.380 3.085 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC001261366866 807739720 /nfs/dbraw/zinc/73/97/20/807739720.db2.gz IIHBQQIVEBGMQS-WBMJQRKESA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC001261366866 807739722 /nfs/dbraw/zinc/73/97/22/807739722.db2.gz IIHBQQIVEBGMQS-WBMJQRKESA-N 0 1 295.810 3.355 20 10 CGCDMN C[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC(C)(C)O1 ZINC001180039093 809968983 /nfs/dbraw/zinc/96/89/83/809968983.db2.gz LHKHVBGYPRNPRB-LFAOLKIESA-N 0 1 288.435 3.265 20 10 CGCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CC=CCC1 ZINC001180310585 809991094 /nfs/dbraw/zinc/99/10/94/809991094.db2.gz LOZVRFKYDHUYEF-LLVKDONJSA-N 0 1 267.319 3.459 20 10 CGCDMN CC(C)c1ccc(O)c(CN2CCOCC2(C)C)c1 ZINC001181399098 810050784 /nfs/dbraw/zinc/05/07/84/810050784.db2.gz 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278.377 3.017 20 10 CGCDMN CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000185112219 262042091 /nfs/dbraw/zinc/04/20/91/262042091.db2.gz WAVAKRBVLNVCMD-STQMWFEESA-N 0 1 296.842 3.428 20 10 CGCDMN COCC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185290312 262049022 /nfs/dbraw/zinc/04/90/22/262049022.db2.gz SJTYNCHNNDGDMT-ZJUUUORDSA-N 0 1 257.761 3.121 20 10 CGCDMN C[C@@H]([NH2+]CCCc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000185313005 262050108 /nfs/dbraw/zinc/05/01/08/262050108.db2.gz PQRFYKCRFKCWTM-LLVKDONJSA-N 0 1 293.798 3.063 20 10 CGCDMN CC[C@@H](CSC)[N@@H+](C)Cc1cc(F)ccc1O ZINC000290445947 263116751 /nfs/dbraw/zinc/11/67/51/263116751.db2.gz MBTSQMZQZQSPNY-LBPRGKRZSA-N 0 1 257.374 3.105 20 10 CGCDMN CCc1nc(C)c(CN[C@H](C)c2cc(F)ccc2O)o1 ZINC000291855747 328124822 /nfs/dbraw/zinc/12/48/22/328124822.db2.gz HDYQXHKPBLKYCU-SECBINFHSA-N 0 1 278.327 3.241 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000377827035 329030569 /nfs/dbraw/zinc/03/05/69/329030569.db2.gz SDCILQVHARRUAJ-ZIAGYGMSSA-N 0 1 293.382 3.170 20 10 CGCDMN C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000230659266 333319786 /nfs/dbraw/zinc/31/97/86/333319786.db2.gz UWYGDNGNMYZJQR-RNCFNFMXSA-N 0 1 299.292 3.119 20 10 CGCDMN CCN(C)c1ccc([C@@H](C)NCc2cc(C)no2)cc1 ZINC000125531888 520284420 /nfs/dbraw/zinc/28/44/20/520284420.db2.gz RBILNQVLDJWKJW-CYBMUJFWSA-N 0 1 273.380 3.290 20 10 CGCDMN CCCc1nc(C)c(CNCc2cccc(C)c2O)o1 ZINC000292745736 521497681 /nfs/dbraw/zinc/49/76/81/521497681.db2.gz HXVOBRMNSPQEAX-UHFFFAOYSA-N 0 1 274.364 3.239 20 10 CGCDMN CCCN(Cc1ccccc1O)[C@H](C)c1nnc(C)o1 ZINC000076074290 521690861 /nfs/dbraw/zinc/69/08/61/521690861.db2.gz JWEDEGMSCQYJSV-LLVKDONJSA-N 0 1 275.352 3.057 20 10 CGCDMN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1[O-] ZINC000289842844 524869994 /nfs/dbraw/zinc/86/99/94/524869994.db2.gz URECFNRBELWDKR-NEPJUHHUSA-N 0 1 283.799 3.116 20 10 CGCDMN CSC(C)(C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000128208628 525290070 /nfs/dbraw/zinc/29/00/70/525290070.db2.gz UPOUGNIUHDTJRG-UHFFFAOYSA-N 0 1 259.802 3.277 20 10 CGCDMN Oc1ccc(F)cc1CN1CCCc2occc2C1 ZINC000290269628 526348284 /nfs/dbraw/zinc/34/82/84/526348284.db2.gz XTBBQHRBZWHIPE-UHFFFAOYSA-N 0 1 261.296 3.073 20 10 CGCDMN Cc1ccc(NC(=O)C2=CC(=O)CS2)c(CN(C)C)c1 ZINC000733806390 572604717 /nfs/dbraw/zinc/60/47/17/572604717.db2.gz AWFKACLGQYIHQY-UHFFFAOYSA-N 0 1 290.388 3.076 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCC(F)(F)F ZINC000097988918 618467350 /nfs/dbraw/zinc/46/73/50/618467350.db2.gz TVWOVBGWLCQZHJ-UHFFFAOYSA-N 0 1 267.678 3.478 20 10 CGCDMN CCOc1cccc(CN2CCOc3ccccc3C2)c1O ZINC000318039596 618734393 /nfs/dbraw/zinc/73/43/93/618734393.db2.gz GHVGHDZBIOGDHK-UHFFFAOYSA-N 0 1 299.370 3.186 20 10 CGCDMN CC1(C)SC[C@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000309831443 618972940 /nfs/dbraw/zinc/97/29/40/618972940.db2.gz YPXCLCWEHBSUHP-LLVKDONJSA-N 0 1 257.786 3.029 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c(Cl)c1 ZINC000840950195 619252637 /nfs/dbraw/zinc/25/26/37/619252637.db2.gz GOVONUALMMGUTF-LBPRGKRZSA-N 0 1 297.826 3.337 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c(Cl)c1 ZINC000840950195 619252639 /nfs/dbraw/zinc/25/26/39/619252639.db2.gz GOVONUALMMGUTF-LBPRGKRZSA-N 0 1 297.826 3.337 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@H](C2CCC2)C1 ZINC000840955548 619263106 /nfs/dbraw/zinc/26/31/06/619263106.db2.gz VPUUIWMGECAQTE-AWEZNQCLSA-N 0 1 299.773 3.186 20 10 CGCDMN CC[C@@H]([NH2+]Cc1c([O-])cc(C)cc1Cl)[C@@H](O)C(C)C ZINC000840969091 619293045 /nfs/dbraw/zinc/29/30/45/619293045.db2.gz YDFNQMYYAPZUCT-HIFRSBDPSA-N 0 1 285.815 3.239 20 10 CGCDMN Oc1c(F)cc(F)cc1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000893987434 619347305 /nfs/dbraw/zinc/34/73/05/619347305.db2.gz RDQPCYOQRMFCQU-CYBMUJFWSA-N 0 1 293.317 3.121 20 10 CGCDMN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])CC(F)F ZINC000895535332 619844315 /nfs/dbraw/zinc/84/43/15/619844315.db2.gz QTMCCTUCETUELL-UHFFFAOYSA-N 0 1 261.287 3.302 20 10 CGCDMN CC(C)[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])N1CCCC1 ZINC000021510126 620211977 /nfs/dbraw/zinc/21/19/77/620211977.db2.gz MQTAFKJRMVTMNM-OAHLLOKOSA-N 0 1 296.842 3.256 20 10 CGCDMN Cc1cc(O)c(CN(C)Cc2cccc(=O)[nH]2)cc1Cl ZINC000897391071 620282378 /nfs/dbraw/zinc/28/23/78/620282378.db2.gz DDAUSBDUVDNMGA-UHFFFAOYSA-N 0 1 292.766 3.087 20 10 CGCDMN CC[C@@H](NCc1cc(C2CC2)n(C)n1)c1ccccc1O ZINC000927109637 620577703 /nfs/dbraw/zinc/57/77/03/620577703.db2.gz UPDRRMGYFAZDOV-OAHLLOKOSA-N 0 1 285.391 3.244 20 10 CGCDMN CCc1onc(C)c1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000927142671 620601605 /nfs/dbraw/zinc/60/16/05/620601605.db2.gz VHQFUTKGIYQIRK-LBPRGKRZSA-N 0 1 287.407 3.462 20 10 CGCDMN C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(Cl)cc1[O-] ZINC000903273980 621658121 /nfs/dbraw/zinc/65/81/21/621658121.db2.gz GZZDCZHRSZVJKA-SNVBAGLBSA-N 0 1 297.761 3.062 20 10 CGCDMN Cc1ccc([C@@H](C)N[C@H](c2ncccn2)C2CC2)c(O)c1 ZINC000903326412 621700040 /nfs/dbraw/zinc/70/00/40/621700040.db2.gz LQNJEZVSOGMJOT-WBMJQRKESA-N 0 1 283.375 3.293 20 10 CGCDMN CCCC[N@@H+](CCOC)Cc1cc(Cl)ccc1O ZINC000769388450 625567696 /nfs/dbraw/zinc/56/76/96/625567696.db2.gz AASOATOAXPPHQR-UHFFFAOYSA-N 0 1 271.788 3.294 20 10 CGCDMN CCCC[N@H+](CCOC)Cc1cc(Cl)ccc1[O-] ZINC000769388450 625567702 /nfs/dbraw/zinc/56/77/02/625567702.db2.gz AASOATOAXPPHQR-UHFFFAOYSA-N 0 1 271.788 3.294 20 10 CGCDMN CCCC[N@@H+](CCOC)Cc1cc(Cl)ccc1[O-] ZINC000769388450 625567705 /nfs/dbraw/zinc/56/77/05/625567705.db2.gz AASOATOAXPPHQR-UHFFFAOYSA-N 0 1 271.788 3.294 20 10 CGCDMN C[C@@H](C1CC1)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000158016625 622993081 /nfs/dbraw/zinc/99/30/81/622993081.db2.gz CXXUNRFEFLCNFH-VIFPVBQESA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@@H](C1CC1)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000158016625 622993094 /nfs/dbraw/zinc/99/30/94/622993094.db2.gz CXXUNRFEFLCNFH-VIFPVBQESA-N 0 1 284.197 3.385 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1cc(Cl)cc(Cl)c1[O-] ZINC000817978243 625630979 /nfs/dbraw/zinc/63/09/79/625630979.db2.gz YWFXNAUOEOPWMP-SXMVTHIZSA-N 0 1 291.222 3.475 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C(C)C)c1[O-] ZINC000088837866 623509011 /nfs/dbraw/zinc/50/90/11/623509011.db2.gz DYCDGPQVMRWZMO-OAHLLOKOSA-N 0 1 279.355 3.354 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C(C)C)c1[O-] ZINC000088837866 623509017 /nfs/dbraw/zinc/50/90/17/623509017.db2.gz DYCDGPQVMRWZMO-OAHLLOKOSA-N 0 1 279.355 3.354 20 10 CGCDMN C[C@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000756384721 625938943 /nfs/dbraw/zinc/93/89/43/625938943.db2.gz OFJJPMQTEMZKRC-ZANVPECISA-N 0 1 281.739 3.023 20 10 CGCDMN CCN(C)c1ccc([C@@H](C)N[C@H](C)c2ccn(C)n2)cc1 ZINC000840816448 626274907 /nfs/dbraw/zinc/27/49/07/626274907.db2.gz NIQVOKIDNNFYGY-ZIAGYGMSSA-N 0 1 286.423 3.288 20 10 CGCDMN Oc1ccc(Cl)cc1CN1CC(CC(F)(F)F)C1 ZINC000839138234 626322643 /nfs/dbraw/zinc/32/26/43/626322643.db2.gz NNKLMNSNXYILBN-UHFFFAOYSA-N 0 1 279.689 3.430 20 10 CGCDMN C[C@H]1COC(C)(C)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000754155968 626561203 /nfs/dbraw/zinc/56/12/03/626561203.db2.gz NWKMGWFQFHHYQW-JTQLQIEISA-N 0 1 269.772 3.045 20 10 CGCDMN Cc1cc(C)c(O)c(C[N@H+]2CCOC(C)(C)[C@H]2C)c1 ZINC000754741759 626585922 /nfs/dbraw/zinc/58/59/22/626585922.db2.gz RTBLJKJOQULQBF-CYBMUJFWSA-N 0 1 263.381 3.008 20 10 CGCDMN Cc1ccc(O)c([C@@H](C)NCc2ccn(C(C)C)n2)c1 ZINC000756591293 626718452 /nfs/dbraw/zinc/71/84/52/626718452.db2.gz FHCNKKKMZSXPCO-CYBMUJFWSA-N 0 1 273.380 3.329 20 10 CGCDMN CCCN(CC)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756638023 626723163 /nfs/dbraw/zinc/72/31/63/626723163.db2.gz QKYDGPHSTICLQF-LBPRGKRZSA-N 0 1 284.831 3.428 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)c2c1c(F)ccc2[O-] ZINC000756644348 626724071 /nfs/dbraw/zinc/72/40/71/626724071.db2.gz ARQYGEGDEDQFPL-ZJQBRPOHSA-N 0 1 293.382 3.220 20 10 CGCDMN C[C@@H]([NH2+]Cc1ccc(F)cn1)c1cc(Cl)ccc1[O-] ZINC000756657723 626725321 /nfs/dbraw/zinc/72/53/21/626725321.db2.gz FUGSKLIMXFQABQ-SECBINFHSA-N 0 1 280.730 3.431 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756676666 626726675 /nfs/dbraw/zinc/72/66/75/626726675.db2.gz MXACUABIOFEWBS-FMCLSXCISA-N 0 1 293.382 3.484 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cc(F)cc(F)c1[O-] ZINC000756757908 626729450 /nfs/dbraw/zinc/72/94/50/626729450.db2.gz DQYSFCRZYKIOGM-AMIZOPFISA-N 0 1 293.317 3.122 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cn[nH]c1 ZINC000756776753 626731229 /nfs/dbraw/zinc/73/12/29/626731229.db2.gz RBOQLRCUSBOOEA-BDAKNGLRSA-N 0 1 265.744 3.181 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000765103181 627240649 /nfs/dbraw/zinc/24/06/49/627240649.db2.gz WAMASFPYIWZCRQ-UHFFFAOYSA-N 0 1 298.386 3.085 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCOC2(CCCC2)C1 ZINC000765103181 627240650 /nfs/dbraw/zinc/24/06/50/627240650.db2.gz WAMASFPYIWZCRQ-UHFFFAOYSA-N 0 1 298.386 3.085 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000768138547 627462995 /nfs/dbraw/zinc/46/29/95/627462995.db2.gz OQQJYIOUHUNQHC-VIFPVBQESA-N 0 1 284.743 3.186 20 10 CGCDMN Cc1cc([C@H]2CCCN2Cc2ccc(N(C)C)cc2)on1 ZINC000768878520 627505900 /nfs/dbraw/zinc/50/59/00/627505900.db2.gz QEOGLBYGNYXHJS-MRXNPFEDSA-N 0 1 285.391 3.386 20 10 CGCDMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770310677 627612653 /nfs/dbraw/zinc/61/26/53/627612653.db2.gz KMCYWEJCJKQEIM-DTORHVGOSA-N 0 1 284.743 3.327 20 10 CGCDMN C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccccc1O ZINC000770506227 627623752 /nfs/dbraw/zinc/62/37/52/627623752.db2.gz ZNHMRJKMHOALJP-UGSOOPFHSA-N 0 1 283.371 3.216 20 10 CGCDMN CC[N@@H+](Cc1ccccc1O)[C@H](COC)Cc1ccccc1 ZINC000770506198 627623864 /nfs/dbraw/zinc/62/38/64/627623864.db2.gz YFRHWLUWWQYUEA-SFHVURJKSA-N 0 1 299.414 3.472 20 10 CGCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cn1 ZINC000771382293 627704962 /nfs/dbraw/zinc/70/49/62/627704962.db2.gz JVXKASRASJGWSH-NSHDSACASA-N 0 1 272.323 3.006 20 10 CGCDMN CSc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])ccn1 ZINC000771894724 627742872 /nfs/dbraw/zinc/74/28/72/627742872.db2.gz LYUCFDWVLRXFPY-UHFFFAOYSA-N 0 1 294.807 3.452 20 10 CGCDMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(N(C)CC)cc1 ZINC000773730729 627908818 /nfs/dbraw/zinc/90/88/18/627908818.db2.gz PZJDMDSEUVNKMS-GDBMZVCRSA-N 0 1 276.424 3.142 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)COC)c1cc(Cl)ccc1[O-] ZINC000775483226 628098255 /nfs/dbraw/zinc/09/82/55/628098255.db2.gz POFACPGLRBYVBG-CABZTGNLSA-N 0 1 257.761 3.121 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000775483137 628098596 /nfs/dbraw/zinc/09/85/96/628098596.db2.gz MERWAXVOHLZMBV-WCQYABFASA-N 0 1 269.772 3.265 20 10 CGCDMN CC[C@@H](O)CC[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775513980 628102810 /nfs/dbraw/zinc/10/28/10/628102810.db2.gz PTTFPOZYOBIUOV-DGCLKSJQSA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(Cl)ccc1[O-] ZINC000775522948 628103552 /nfs/dbraw/zinc/10/35/52/628103552.db2.gz CHSQZCLEEHUUBO-OBJOEFQTSA-N 0 1 283.799 3.390 20 10 CGCDMN CC[C@H]([NH2+]CCc1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000775556539 628106659 /nfs/dbraw/zinc/10/66/59/628106659.db2.gz ZUZOWJGEGSFXPH-AWEZNQCLSA-N 0 1 293.798 3.063 20 10 CGCDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775716367 628128322 /nfs/dbraw/zinc/12/83/22/628128322.db2.gz VGYWPIXSBQIRRC-BDAKNGLRSA-N 0 1 257.736 3.415 20 10 CGCDMN CC(C)(C)[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1O ZINC000779432257 628413183 /nfs/dbraw/zinc/41/31/83/628413183.db2.gz QDERGUVXKVBSGT-SWLSCSKDSA-N 0 1 297.826 3.275 20 10 CGCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1O ZINC000779432257 628413186 /nfs/dbraw/zinc/41/31/86/628413186.db2.gz QDERGUVXKVBSGT-SWLSCSKDSA-N 0 1 297.826 3.275 20 10 CGCDMN CN(Cc1ccc(N2CCN(C)CC2)cc1)c1ccccc1 ZINC000780754364 628514827 /nfs/dbraw/zinc/51/48/27/628514827.db2.gz NVNLOIKVCQAKRX-UHFFFAOYSA-N 0 1 295.430 3.075 20 10 CGCDMN C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000785987198 628906054 /nfs/dbraw/zinc/90/60/54/628906054.db2.gz GCTGUIMZSWSXML-JTNHKYCSSA-N 0 1 283.799 3.027 20 10 CGCDMN CC[C@H]([NH2+]CCC[C@@H](C)O)c1cc(Cl)ccc1[O-] ZINC000788604853 629067224 /nfs/dbraw/zinc/06/72/24/629067224.db2.gz MWFDSPIGRYZNSD-MFKMUULPSA-N 0 1 271.788 3.247 20 10 CGCDMN C[C@@](O)(C[NH2+]Cc1c([O-])cccc1Cl)C1CCCCC1 ZINC000790995179 629247971 /nfs/dbraw/zinc/24/79/71/629247971.db2.gz AHKHQNKUJZOPPJ-MRXNPFEDSA-N 0 1 297.826 3.467 20 10 CGCDMN CN(Cc1ccoc1)Cc1c(O)ccc(Cl)c1F ZINC000792166696 629342205 /nfs/dbraw/zinc/34/22/05/629342205.db2.gz FPFPGOOBPLZIEG-UHFFFAOYSA-N 0 1 269.703 3.410 20 10 CGCDMN C[N@@H+](CCOC(C)(C)C)Cc1c([O-])ccc(Cl)c1F ZINC000792170667 629343406 /nfs/dbraw/zinc/34/34/06/629343406.db2.gz UWGVTLSYFKKCIW-UHFFFAOYSA-N 0 1 289.778 3.432 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CCC=C(F)C1 ZINC000792174400 629344618 /nfs/dbraw/zinc/34/46/18/629344618.db2.gz VCLBUXWOIQMSCC-UHFFFAOYSA-N 0 1 259.683 3.244 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2CC=CC2)cc1Cl ZINC000862455841 629380720 /nfs/dbraw/zinc/38/07/20/629380720.db2.gz ROMYKOSTSDDPDO-UHFFFAOYSA-N 0 1 251.757 3.410 20 10 CGCDMN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000862487402 629388239 /nfs/dbraw/zinc/38/82/39/629388239.db2.gz QOQDQUFKGMKXDG-WBVHZDCISA-N 0 1 271.360 3.203 20 10 CGCDMN [O-]c1c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)ccc2ccccc21 ZINC000862530063 629392681 /nfs/dbraw/zinc/39/26/81/629392681.db2.gz ULJBEGDYHSIFHD-NVXWUHKLSA-N 0 1 283.371 3.203 20 10 CGCDMN CC(C)(NCc1cc(Cl)cc(F)c1O)C(F)F ZINC000793253253 629436307 /nfs/dbraw/zinc/43/63/07/629436307.db2.gz BRBRSELSCOEDGR-UHFFFAOYSA-N 0 1 267.678 3.318 20 10 CGCDMN C[C@H](O)c1cc(NCc2ccc(F)c(F)c2O)ccc1F ZINC000864037832 629736018 /nfs/dbraw/zinc/73/60/18/629736018.db2.gz AKFIYKOAVBEASI-QMMMGPOBSA-N 0 1 297.276 3.475 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC[C@H]2C)c2c1c(F)ccc2[O-] ZINC000797077077 629881708 /nfs/dbraw/zinc/88/17/08/629881708.db2.gz CDTPTRBFBGTIHD-BYNQJWBRSA-N 0 1 293.382 3.342 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](CO)C(C)C)c1cc(Cl)ccc1[O-] ZINC000806170239 630552923 /nfs/dbraw/zinc/55/29/23/630552923.db2.gz XWVQCKAGGDOISB-FZMZJTMJSA-N 0 1 285.815 3.351 20 10 CGCDMN C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000807838125 630600460 /nfs/dbraw/zinc/60/04/60/630600460.db2.gz JBGNNMLYMUOCPX-SSDOTTSWSA-N 0 1 288.174 3.361 20 10 CGCDMN CC(C)[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@H]1CCOC1 ZINC000812777217 631307382 /nfs/dbraw/zinc/30/73/82/631307382.db2.gz ZLKPINQPHDSNEZ-JTQLQIEISA-N 0 1 287.762 3.184 20 10 CGCDMN CCC[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815076776 631712558 /nfs/dbraw/zinc/71/25/58/631712558.db2.gz MDBLVMZZMFXZKE-MRXNPFEDSA-N 0 1 276.424 3.062 20 10 CGCDMN COCC1(CC[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000815148246 631730548 /nfs/dbraw/zinc/73/05/48/631730548.db2.gz PRFFZUYMJYBECB-UHFFFAOYSA-N 0 1 283.799 3.342 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCOCC3(CC3)C2)ccc2ccccc21 ZINC000816567018 632014735 /nfs/dbraw/zinc/01/47/35/632014735.db2.gz OGIHNKDWYCKIPP-UHFFFAOYSA-N 0 1 283.371 3.158 20 10 CGCDMN [O-]c1c(C[N@H+]2CCOCC3(CC3)C2)ccc2ccccc21 ZINC000816567018 632014745 /nfs/dbraw/zinc/01/47/45/632014745.db2.gz OGIHNKDWYCKIPP-UHFFFAOYSA-N 0 1 283.371 3.158 20 10 CGCDMN COCC1=CC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816573718 632015797 /nfs/dbraw/zinc/01/57/97/632015797.db2.gz ISPVCQZFFMSSJH-UHFFFAOYSA-N 0 1 283.371 3.324 20 10 CGCDMN COCC1=CC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816573718 632015807 /nfs/dbraw/zinc/01/58/07/632015807.db2.gz ISPVCQZFFMSSJH-UHFFFAOYSA-N 0 1 283.371 3.324 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](N)C(C)C)c1cccc(Cl)c1[O-] ZINC000817959795 632254876 /nfs/dbraw/zinc/25/48/76/632254876.db2.gz VCANBWMHRWJHNU-STQMWFEESA-N 0 1 270.804 3.070 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](C)N)c1ccc(Cl)c(Cl)c1[O-] ZINC000817973762 632266752 /nfs/dbraw/zinc/26/67/52/632266752.db2.gz WBXMGOZHCRFRQE-XVKPBYJWSA-N 0 1 277.195 3.087 20 10 CGCDMN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1O ZINC000818631545 632344045 /nfs/dbraw/zinc/34/40/45/632344045.db2.gz IXOGQOBYRJOQMK-NOZJJQNGSA-N 0 1 297.782 3.039 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000865779595 632888419 /nfs/dbraw/zinc/88/84/19/632888419.db2.gz YSYQMPPBFGCOGT-CYBMUJFWSA-N 0 1 295.810 3.342 20 10 CGCDMN C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc2ccccc2c1[O-] ZINC000866443146 633133408 /nfs/dbraw/zinc/13/34/08/633133408.db2.gz WRBWTSNWWVIJHE-QMTHXVAHSA-N 0 1 295.329 3.212 20 10 CGCDMN Oc1ccc(-c2ccccc2)cc1CN(C1CC1)C1COC1 ZINC000824471677 633248743 /nfs/dbraw/zinc/24/87/43/633248743.db2.gz FZUXEXOYXAAAGD-UHFFFAOYSA-N 0 1 295.382 3.422 20 10 CGCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])[C@H](CO)c1ccccc1 ZINC000824696236 633274266 /nfs/dbraw/zinc/27/42/66/633274266.db2.gz IYYMZEIAJVHOAV-OAHLLOKOSA-N 0 1 291.778 3.211 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H](CO)c1ccccc1 ZINC000824696236 633274267 /nfs/dbraw/zinc/27/42/67/633274267.db2.gz IYYMZEIAJVHOAV-OAHLLOKOSA-N 0 1 291.778 3.211 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1C ZINC000824815670 633295107 /nfs/dbraw/zinc/29/51/07/633295107.db2.gz WJYJLYFVBPQLQS-SCLBCKFNSA-N 0 1 285.387 3.402 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1C ZINC000824815670 633295110 /nfs/dbraw/zinc/29/51/10/633295110.db2.gz WJYJLYFVBPQLQS-SCLBCKFNSA-N 0 1 285.387 3.402 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])CC1(C)C ZINC000824820512 633297796 /nfs/dbraw/zinc/29/77/96/633297796.db2.gz GVGAGWCYPYYBLR-AWEZNQCLSA-N 0 1 283.799 3.293 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])CC1(C)C ZINC000824820512 633297799 /nfs/dbraw/zinc/29/77/99/633297799.db2.gz GVGAGWCYPYYBLR-AWEZNQCLSA-N 0 1 283.799 3.293 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000824914533 633305083 /nfs/dbraw/zinc/30/50/83/633305083.db2.gz UHRVQTNUHOKGPX-CYBMUJFWSA-N 0 1 283.824 3.373 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000824914533 633305086 /nfs/dbraw/zinc/30/50/86/633305086.db2.gz UHRVQTNUHOKGPX-CYBMUJFWSA-N 0 1 283.824 3.373 20 10 CGCDMN CCc1nc(CNCc2c(O)ccc(Cl)c2F)co1 ZINC000825062469 633324215 /nfs/dbraw/zinc/32/42/15/633324215.db2.gz XKIXWMUAXNBPCL-UHFFFAOYSA-N 0 1 284.718 3.025 20 10 CGCDMN CC1(C)C[C@H](O)CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000825091409 633327617 /nfs/dbraw/zinc/32/76/17/633327617.db2.gz ZKJXLCZSIOGOTP-CYBMUJFWSA-N 0 1 283.799 3.029 20 10 CGCDMN CC1(C)C[C@H](O)CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000825091409 633327623 /nfs/dbraw/zinc/32/76/23/633327623.db2.gz ZKJXLCZSIOGOTP-CYBMUJFWSA-N 0 1 283.799 3.029 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCOC2CCCC2)cc1Cl ZINC000825159565 633333333 /nfs/dbraw/zinc/33/33/33/633333333.db2.gz FNXJOIOKRYYJPR-UHFFFAOYSA-N 0 1 283.799 3.403 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)CC(C)(C)C)cc1Cl ZINC000825284037 633341651 /nfs/dbraw/zinc/34/16/51/633341651.db2.gz WQOSKAWYNUXLPY-GFCCVEGCSA-N 0 1 285.815 3.241 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@](C)(O)CC2)cc1Cl ZINC000825739038 633378834 /nfs/dbraw/zinc/37/88/34/633378834.db2.gz WKVLVXPVLWOOCY-HNNXBMFYSA-N 0 1 283.799 3.091 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@](C)(O)CC2)cc1Cl ZINC000825739038 633378839 /nfs/dbraw/zinc/37/88/39/633378839.db2.gz WKVLVXPVLWOOCY-HNNXBMFYSA-N 0 1 283.799 3.091 20 10 CGCDMN CO[C@]1(C)CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825737673 633379157 /nfs/dbraw/zinc/37/91/57/633379157.db2.gz CZWKUWYPYNQGER-OAHLLOKOSA-N 0 1 283.799 3.355 20 10 CGCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825737673 633379160 /nfs/dbraw/zinc/37/91/60/633379160.db2.gz CZWKUWYPYNQGER-OAHLLOKOSA-N 0 1 283.799 3.355 20 10 CGCDMN CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825944122 633390580 /nfs/dbraw/zinc/39/05/80/633390580.db2.gz QTHOBQZZPAWNOE-MRXNPFEDSA-N 0 1 297.826 3.339 20 10 CGCDMN CCC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825944122 633390585 /nfs/dbraw/zinc/39/05/85/633390585.db2.gz QTHOBQZZPAWNOE-MRXNPFEDSA-N 0 1 297.826 3.339 20 10 CGCDMN CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825944122 633390591 /nfs/dbraw/zinc/39/05/91/633390591.db2.gz QTHOBQZZPAWNOE-MRXNPFEDSA-N 0 1 297.826 3.339 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2CC(F)(F)C2)cc1Cl ZINC000825959532 633392890 /nfs/dbraw/zinc/39/28/90/633392890.db2.gz PEEPXATXNHLTNK-UHFFFAOYSA-N 0 1 275.726 3.489 20 10 CGCDMN C[N@@H+](CC1=CCSC1)Cc1cc(Cl)ccc1O ZINC000827805077 633519541 /nfs/dbraw/zinc/51/95/41/633519541.db2.gz GJVMIQVDMWMZHU-UHFFFAOYSA-N 0 1 269.797 3.151 20 10 CGCDMN C[N@H+](CC1=CCSC1)Cc1cc(Cl)ccc1[O-] ZINC000827805077 633519544 /nfs/dbraw/zinc/51/95/44/633519544.db2.gz GJVMIQVDMWMZHU-UHFFFAOYSA-N 0 1 269.797 3.151 20 10 CGCDMN C[N@@H+](CC1=CCSC1)Cc1cc(Cl)ccc1[O-] ZINC000827805077 633519545 /nfs/dbraw/zinc/51/95/45/633519545.db2.gz GJVMIQVDMWMZHU-UHFFFAOYSA-N 0 1 269.797 3.151 20 10 CGCDMN Cc1nccnc1[C@H](C)N[C@@H](C)c1cc(F)ccc1O ZINC000872134079 634057599 /nfs/dbraw/zinc/05/75/99/634057599.db2.gz RAPZDGLKTUTKGH-ONGXEEELSA-N 0 1 275.327 3.042 20 10 CGCDMN CCn1ccnc1[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000834768591 634238906 /nfs/dbraw/zinc/23/89/06/634238906.db2.gz CPSZDHDXMOVNKX-KGLIPLIRSA-N 0 1 286.423 3.381 20 10 CGCDMN CCCOc1ccc(CNCc2conc2C)cc1C ZINC000873145609 634258883 /nfs/dbraw/zinc/25/88/83/634258883.db2.gz FBUMATRGQQDKKX-UHFFFAOYSA-N 0 1 274.364 3.370 20 10 CGCDMN CCn1ccnc1CN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834880267 634263087 /nfs/dbraw/zinc/26/30/87/634263087.db2.gz QUYUHUKPRPXAOH-PWSUYJOCSA-N 0 1 289.354 3.086 20 10 CGCDMN Cc1cnc(CNC/C=C/c2ccc(N(C)C)cc2)s1 ZINC000835039453 634329462 /nfs/dbraw/zinc/32/94/62/634329462.db2.gz HKPGLWBNVKPPMK-SNAWJCMRSA-N 0 1 287.432 3.321 20 10 CGCDMN COC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000019904584 634368187 /nfs/dbraw/zinc/36/81/87/634368187.db2.gz SSHREZKKSXEWIS-NWDGAFQWSA-N 0 1 259.349 3.231 20 10 CGCDMN CSCC[C@H](C)[N@@H+](C)Cc1c(C)cccc1O ZINC000876755206 634892298 /nfs/dbraw/zinc/89/22/98/634892298.db2.gz SYPHWNMFKMUNCN-LBPRGKRZSA-N 0 1 253.411 3.274 20 10 CGCDMN Cc1cccc(O)c1C[N@H+]1CCSC(C)(C)C1 ZINC000876747706 634891928 /nfs/dbraw/zinc/89/19/28/634891928.db2.gz KNOQNPDFWDPREH-UHFFFAOYSA-N 0 1 251.395 3.028 20 10 CGCDMN C[C@H](C[N@@H+](C)Cc1ccc(F)c(F)c1[O-])c1nccs1 ZINC000877316334 635024398 /nfs/dbraw/zinc/02/43/98/635024398.db2.gz VKGUWJFUKGCKEW-SECBINFHSA-N 0 1 298.358 3.362 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)c2ccn(C)n2)c1O ZINC000840815892 635057667 /nfs/dbraw/zinc/05/76/67/635057667.db2.gz QQLAVYFFXPSXKZ-MNOVXSKESA-N 0 1 293.798 3.499 20 10 CGCDMN CO[C@@]1(C)CCC[N@@H+](Cc2c(C)cccc2O)CC1 ZINC000877491290 635058328 /nfs/dbraw/zinc/05/83/28/635058328.db2.gz IFTKTKPVTMTAKC-INIZCTEOSA-N 0 1 263.381 3.092 20 10 CGCDMN Cc1cccc(O)c1C[N@@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000877519169 635068101 /nfs/dbraw/zinc/06/81/01/635068101.db2.gz XGGURLGFMNBOCQ-HUUCEWRRSA-N 0 1 277.408 3.216 20 10 CGCDMN Cc1cccc(O)c1C[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000877519168 635068752 /nfs/dbraw/zinc/06/87/52/635068752.db2.gz XGGURLGFMNBOCQ-GJZGRUSLSA-N 0 1 277.408 3.216 20 10 CGCDMN CN(C)c1ccc(C[N@@H+](C)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000840993810 635100194 /nfs/dbraw/zinc/10/01/94/635100194.db2.gz NLRPTFWIFCURQZ-UHFFFAOYSA-N 0 1 298.386 3.083 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H](C)C1(F)F ZINC000877650832 635131269 /nfs/dbraw/zinc/13/12/69/635131269.db2.gz UVWVTSQJOILVIV-DTORHVGOSA-N 0 1 291.288 3.394 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1Cl ZINC000877682372 635143834 /nfs/dbraw/zinc/14/38/34/635143834.db2.gz NHCNEQKXSPLUAB-GIPNMCIBSA-N 0 1 269.772 3.010 20 10 CGCDMN C[C@@H](NCc1cnc(C2CC2)o1)c1ccccc1O ZINC000877755469 635183903 /nfs/dbraw/zinc/18/39/03/635183903.db2.gz CAXDINGKPPVXTP-SNVBAGLBSA-N 0 1 258.321 3.108 20 10 CGCDMN CCc1nn(C)c(Cl)c1CN[C@@H](C)c1ccccc1O ZINC000877757346 635186315 /nfs/dbraw/zinc/18/63/15/635186315.db2.gz RSPYAKYGUYMFNL-JTQLQIEISA-N 0 1 293.798 3.192 20 10 CGCDMN C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841750804 635225775 /nfs/dbraw/zinc/22/57/75/635225775.db2.gz JDRJKWAZTBVHQG-HQJQHLMTSA-N 0 1 297.704 3.010 20 10 CGCDMN CO[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000841749875 635226070 /nfs/dbraw/zinc/22/60/70/635226070.db2.gz IUGMVGWHBYPCEX-RDDDGLTNSA-N 0 1 297.704 3.274 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCS[C@@H]2C)c(Cl)c1 ZINC000842780988 635470960 /nfs/dbraw/zinc/47/09/60/635470960.db2.gz XJNFSEWZLKVHTP-BXKDBHETSA-N 0 1 271.813 3.338 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)C ZINC000843431803 635673615 /nfs/dbraw/zinc/67/36/15/635673615.db2.gz ZMPYHWUOGCNSAO-UHFFFAOYSA-N 0 1 272.732 3.184 20 10 CGCDMN CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Cl)ccc1[O-] ZINC000846191548 636156941 /nfs/dbraw/zinc/15/69/41/636156941.db2.gz WQUVMEUOSBTTRM-OPQSFPLASA-N 0 1 281.783 3.406 20 10 CGCDMN CCc1cccc(CN2CCCC[C@H]2c2cc[nH]n2)c1O ZINC000848910318 636686366 /nfs/dbraw/zinc/68/63/66/636686366.db2.gz IUIPHKYTOFUDDN-INIZCTEOSA-N 0 1 285.391 3.405 20 10 CGCDMN COc1ccc(N2CCN([C@@H]3C=CCCC3)CC2)cc1F ZINC000084866462 636768368 /nfs/dbraw/zinc/76/83/68/636768368.db2.gz XAMGYIBZXJZWPA-CQSZACIVSA-N 0 1 290.382 3.065 20 10 CGCDMN COc1cccc(Cl)c1CNCc1ccccc1O ZINC000134783503 637038021 /nfs/dbraw/zinc/03/80/21/637038021.db2.gz ZIFSDHYPTHOGEL-UHFFFAOYSA-N 0 1 277.751 3.344 20 10 CGCDMN CC[C@H]([NH2+][C@@H](CO)C1CCC1)c1cc(Cl)ccc1[O-] ZINC000850487317 637087823 /nfs/dbraw/zinc/08/78/23/637087823.db2.gz HNEYJWJCDZYYLG-KBPBESRZSA-N 0 1 283.799 3.247 20 10 CGCDMN C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cc(Cl)ccc1[O-] ZINC000850544773 637115889 /nfs/dbraw/zinc/11/58/89/637115889.db2.gz JSVSIMPOGCDVCA-ZYHUDNBSSA-N 0 1 283.799 3.105 20 10 CGCDMN Cc1ccc([C@@H](C)N[C@@H](C)c2nccn2C)c(O)c1C ZINC000850571801 637128988 /nfs/dbraw/zinc/12/89/88/637128988.db2.gz AZXNAMDIIRGEIP-OLZOCXBDSA-N 0 1 273.380 3.154 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)c2nccn2C)c1O ZINC000850573200 637129646 /nfs/dbraw/zinc/12/96/46/637129646.db2.gz WLXHDGGHXJZQSC-MNOVXSKESA-N 0 1 293.798 3.499 20 10 CGCDMN Cc1coc(CNCc2ccc3c(c2)CCCN3C)c1 ZINC000885954045 637328847 /nfs/dbraw/zinc/32/88/47/637328847.db2.gz LYNKOZUNXMLIAT-UHFFFAOYSA-N 0 1 270.376 3.260 20 10 CGCDMN CCn1nccc1C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000853241646 637791679 /nfs/dbraw/zinc/79/16/79/637791679.db2.gz WQGURYKGWKBLPV-JTQLQIEISA-N 0 1 279.771 3.113 20 10 CGCDMN O=C(CCCF)NCc1cc(Cl)cc(Cl)c1O ZINC000854474005 638057042 /nfs/dbraw/zinc/05/70/42/638057042.db2.gz IJFLIQQUYKJPLG-UHFFFAOYSA-N 0 1 280.126 3.065 20 10 CGCDMN C/C=C\C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000858538416 638757414 /nfs/dbraw/zinc/75/74/14/638757414.db2.gz UOTYBPSCGXYIAL-TYRPZCRBSA-N 0 1 270.170 3.381 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[NH+]2C[C@@H](C)[C@H](C)C2)c1[O-] ZINC000092086290 640730951 /nfs/dbraw/zinc/73/09/51/640730951.db2.gz DWKXZWUFOYOMMV-NXEZZACHSA-N 0 1 281.783 3.336 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)C1CCCCC1 ZINC000113334863 640976720 /nfs/dbraw/zinc/97/67/20/640976720.db2.gz MOYXJOQEWDYTKH-OAHLLOKOSA-N 0 1 283.799 3.076 20 10 CGCDMN COc1cc2[nH]c(-c3ccc(O)c(O)c3)nc2cc1Cl ZINC001250464636 805631977 /nfs/dbraw/zinc/63/19/77/805631977.db2.gz GYOXYEAPWUZURQ-UHFFFAOYSA-N 0 1 290.706 3.303 20 10 CGCDMN Cc1c2[nH]c(-c3cc(O)c(O)cc3O)nc2ccc1Cl ZINC001251355359 805886971 /nfs/dbraw/zinc/88/69/71/805886971.db2.gz HQBQQYQBMFTGLQ-UHFFFAOYSA-N 0 1 290.706 3.309 20 10 CGCDMN Cc1cc(N2CCCC2)nc(NCc2cccc(C)c2O)n1 ZINC001160765082 806300054 /nfs/dbraw/zinc/30/00/54/806300054.db2.gz RHSLMCBKEUDGMV-UHFFFAOYSA-N 0 1 298.390 3.011 20 10 CGCDMN Cc1cccc(CNc2cc(N3CCCC3)[nH+]c(C)n2)c1O ZINC001160764857 806300429 /nfs/dbraw/zinc/30/04/29/806300429.db2.gz PTHGNHXGPONQSX-UHFFFAOYSA-N 0 1 298.390 3.011 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C(C)C ZINC000037322987 798865964 /nfs/dbraw/zinc/86/59/64/798865964.db2.gz FPDVGIGBHUKGTR-UHFFFAOYSA-N 0 1 269.772 3.479 20 10 CGCDMN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000380726797 799365974 /nfs/dbraw/zinc/36/59/74/799365974.db2.gz FWIKOHVJPIUNHQ-VHSXEESVSA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000380726797 799365983 /nfs/dbraw/zinc/36/59/83/799365983.db2.gz FWIKOHVJPIUNHQ-VHSXEESVSA-N 0 1 284.197 3.385 20 10 CGCDMN CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000384714111 799419112 /nfs/dbraw/zinc/41/91/12/799419112.db2.gz GVENVYNEEICWCH-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CCCO1 ZINC000384714111 799419114 /nfs/dbraw/zinc/41/91/14/799419114.db2.gz GVENVYNEEICWCH-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN CCc1nc(CN[C@H]2CCc3cccc(O)c32)cs1 ZINC000393229786 799485145 /nfs/dbraw/zinc/48/51/45/799485145.db2.gz GIIDESNUSDWJTF-LBPRGKRZSA-N 0 1 274.389 3.188 20 10 CGCDMN Cc1cc(C)c(C[NH2+]Cc2c([O-])cccc2Cl)cn1 ZINC000397492939 799516461 /nfs/dbraw/zinc/51/64/61/799516461.db2.gz NFCOEINXCIBQTP-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000687212155 799737432 /nfs/dbraw/zinc/73/74/32/799737432.db2.gz HLLSNRHARVFIOD-GXFFZTMASA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000687212155 799737429 /nfs/dbraw/zinc/73/74/29/799737429.db2.gz HLLSNRHARVFIOD-GXFFZTMASA-N 0 1 269.772 3.045 20 10 CGCDMN CC(C)(C)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691397138 799783538 /nfs/dbraw/zinc/78/35/38/799783538.db2.gz WVEPGPNERKJAOE-UHFFFAOYSA-N 0 1 272.186 3.290 20 10 CGCDMN C[C@@H](Cc1ccccn1)[NH2+]Cc1c([O-])cccc1Cl ZINC000694063783 799820669 /nfs/dbraw/zinc/82/06/69/799820669.db2.gz JHAKGOXUUWUKGR-NSHDSACASA-N 0 1 276.767 3.161 20 10 CGCDMN C[C@@H](N[C@H]1CCc2cccc(O)c21)c1cscn1 ZINC000697819217 799849990 /nfs/dbraw/zinc/84/99/90/799849990.db2.gz JWJCAADJHZWCDQ-KOLCDFICSA-N 0 1 260.362 3.187 20 10 CGCDMN CC1(C)CC[C@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701044200 799882962 /nfs/dbraw/zinc/88/29/62/799882962.db2.gz OXGDZOHIUOTNPH-GFCCVEGCSA-N 0 1 284.197 3.433 20 10 CGCDMN CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703504469 799924580 /nfs/dbraw/zinc/92/45/80/799924580.db2.gz YUTPQRPKVNOPAX-LBPRGKRZSA-N 0 1 285.334 3.060 20 10 CGCDMN CC(F)(F)CC[NH2+]Cc1c([O-])cccc1Br ZINC000706821742 799967316 /nfs/dbraw/zinc/96/73/16/799967316.db2.gz OFQQWFRMXJHMBZ-UHFFFAOYSA-N 0 1 294.139 3.290 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH+]1C2CCC1CC2 ZINC000707142267 799973657 /nfs/dbraw/zinc/97/36/57/799973657.db2.gz IHKJNEALNDHJQI-UHFFFAOYSA-N 0 1 282.181 3.282 20 10 CGCDMN C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000757658644 800380763 /nfs/dbraw/zinc/38/07/63/800380763.db2.gz SLJSMBLFMDQATG-MNOVXSKESA-N 0 1 269.772 3.123 20 10 CGCDMN CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C1 ZINC001119236985 802637125 /nfs/dbraw/zinc/63/71/25/802637125.db2.gz KYFCFVVGONNZCB-WDEREUQCSA-N 0 1 287.375 3.386 20 10 CGCDMN CO[C@H]1CC=C(c2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001243817297 803029259 /nfs/dbraw/zinc/02/92/59/803029259.db2.gz WPXTYHDEKYRJDX-SFHVURJKSA-N 0 1 286.419 3.021 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001137837303 803780320 /nfs/dbraw/zinc/78/03/20/803780320.db2.gz AMVSUCHOJXLSOO-CYBMUJFWSA-N 0 1 286.350 3.306 20 10 CGCDMN Cc1c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c2ccccc2n1C ZINC001138253708 803883002 /nfs/dbraw/zinc/88/30/02/803883002.db2.gz DFULKMPVRYBICJ-DUVNUKRYSA-N 0 1 272.367 3.277 20 10 CGCDMN CC(=O)[C@@H]1CCCCN1Cc1c(C)n(C)c2ccccc21 ZINC001138258337 803883586 /nfs/dbraw/zinc/88/35/86/803883586.db2.gz QNACOAHXQGNCFX-KRWDZBQOSA-N 0 1 284.403 3.430 20 10 CGCDMN CCN(Cc1nc2ccccc2n1C)Cc1ccccc1O ZINC001138380422 803910916 /nfs/dbraw/zinc/91/09/16/803910916.db2.gz DJIBNMFTAXWTBX-UHFFFAOYSA-N 0 1 295.386 3.301 20 10 CGCDMN CCN(CC)c1ccc(CN2CCC[C@@H]2CF)c(OC)c1 ZINC001138391257 803914290 /nfs/dbraw/zinc/91/42/90/803914290.db2.gz DJWKTTABJLEINB-MRXNPFEDSA-N 0 1 294.414 3.475 20 10 CGCDMN Oc1cccc(Cl)c1CN1CCCC[C@@H](F)C1 ZINC001140338073 804417550 /nfs/dbraw/zinc/41/75/50/804417550.db2.gz UBZPJWVIPGXEPT-SNVBAGLBSA-N 0 1 257.736 3.370 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001140341757 804419519 /nfs/dbraw/zinc/41/95/19/804419519.db2.gz GNWOIICKMKHMBY-LLVKDONJSA-N 0 1 299.773 3.139 20 10 CGCDMN Cc1ncccc1C[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140464374 804441461 /nfs/dbraw/zinc/44/14/61/804441461.db2.gz MXSUCLSTZKVCTK-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN Cc1ncccc1C[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001140464374 804441463 /nfs/dbraw/zinc/44/14/63/804441463.db2.gz MXSUCLSTZKVCTK-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN CO[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140466067 804443925 /nfs/dbraw/zinc/44/39/25/804443925.db2.gz VYEAOLBMCLXSHV-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140466067 804443927 /nfs/dbraw/zinc/44/39/27/804443927.db2.gz VYEAOLBMCLXSHV-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN CCO[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140467579 804444029 /nfs/dbraw/zinc/44/40/29/804444029.db2.gz YIAHGQSVGBCAJC-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CCO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140467579 804444031 /nfs/dbraw/zinc/44/40/31/804444031.db2.gz YIAHGQSVGBCAJC-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583110 804466382 /nfs/dbraw/zinc/46/63/82/804466382.db2.gz WHYITUMRAYRPPH-SNVBAGLBSA-N 0 1 255.308 3.292 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC2(CCCC2)C1 ZINC001140583584 804466405 /nfs/dbraw/zinc/46/64/05/804466405.db2.gz MIEVMCVFFULJKA-UHFFFAOYSA-N 0 1 267.319 3.437 20 10 CGCDMN CCO[C@H]1CCCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140923430 804551121 /nfs/dbraw/zinc/55/11/21/804551121.db2.gz AFMXNQRTZZPQLI-HNNXBMFYSA-N 0 1 296.842 3.407 20 10 CGCDMN CC(=O)[C@@H]1CCCN1Cc1cccc(C(C)(C)C)c1O ZINC001143116781 804805633 /nfs/dbraw/zinc/80/56/33/804805633.db2.gz KTHOIGIVHNZZRO-HNNXBMFYSA-N 0 1 275.392 3.243 20 10 CGCDMN CN(Cc1ccno1)Cc1cccc(C(C)(C)C)c1O ZINC001143116652 804806182 /nfs/dbraw/zinc/80/61/82/804806182.db2.gz HPMHONSNFHIPDN-UHFFFAOYSA-N 0 1 274.364 3.310 20 10 CGCDMN CC(C)(C)Oc1ccnc(NCc2ccc(O)c(O)c2)c1 ZINC001169997385 807736561 /nfs/dbraw/zinc/73/65/61/807736561.db2.gz 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CC[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCCO1 ZINC000124567747 370926021 /nfs/dbraw/zinc/92/60/21/370926021.db2.gz VSCYVLZCYKKXDL-GFCCVEGCSA-N 0 1 269.772 3.047 20 10 CGCDMN CN(C)c1ccc(CNCc2ccccc2F)cc1 ZINC000019949579 368789487 /nfs/dbraw/zinc/78/94/87/368789487.db2.gz UUXSXRJLSNVHGK-UHFFFAOYSA-N 0 1 258.340 3.182 20 10 CGCDMN Cc1cc(C)c([C@H](C)NCc2nccs2)c(O)c1 ZINC000293594136 372420250 /nfs/dbraw/zinc/42/02/50/372420250.db2.gz FPNPYCBCGFPYRJ-NSHDSACASA-N 0 1 262.378 3.316 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000293973925 372542964 /nfs/dbraw/zinc/54/29/64/372542964.db2.gz QWUDVIHJTXLRLA-CQSZACIVSA-N 0 1 299.773 3.064 20 10 CGCDMN C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1c(F)cncc1F ZINC000297348414 373268647 /nfs/dbraw/zinc/26/86/47/373268647.db2.gz PAISRGGRKTTYBY-NOZJJQNGSA-N 0 1 290.313 3.404 20 10 CGCDMN CN(Cc1cc(Cl)cn1C)Cc1cc(F)ccc1O ZINC000180266953 373985329 /nfs/dbraw/zinc/98/53/29/373985329.db2.gz XFTTVNKVKPCZGD-UHFFFAOYSA-N 0 1 282.746 3.155 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cc(Cl)ccc1[O-] ZINC000187975193 375128892 /nfs/dbraw/zinc/12/88/92/375128892.db2.gz XAYKYCVHJXGEJR-WDMOLILDSA-N 0 1 283.799 3.247 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2ncccc2Cl)c1 ZINC000528440320 375901888 /nfs/dbraw/zinc/90/18/88/375901888.db2.gz XSNYVZHJOHCDIO-JTQLQIEISA-N 0 1 292.766 3.300 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CC(Cc2ccco2)C1 ZINC000529650304 375931691 /nfs/dbraw/zinc/93/16/91/375931691.db2.gz YLNMMMKVPGGCNL-UHFFFAOYSA-N 0 1 277.751 3.313 20 10 CGCDMN CC[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1[O-] ZINC000530219363 375939818 /nfs/dbraw/zinc/93/98/18/375939818.db2.gz ZYFBWFURYPPPSZ-KGLIPLIRSA-N 0 1 294.826 3.371 20 10 CGCDMN CC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1[O-] ZINC000530219367 375939986 /nfs/dbraw/zinc/93/99/86/375939986.db2.gz ZYFBWFURYPPPSZ-ZIAGYGMSSA-N 0 1 294.826 3.371 20 10 CGCDMN Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(O)c1C ZINC000273384899 378744142 /nfs/dbraw/zinc/74/41/42/378744142.db2.gz JEPAWIQPBSGMAS-CQSZACIVSA-N 0 1 288.435 3.286 20 10 CGCDMN CCn1nc(CN(C)Cc2ccccc2O)c2ccccc21 ZINC000274553028 378851073 /nfs/dbraw/zinc/85/10/73/378851073.db2.gz JBQSTEGIGONXBN-UHFFFAOYSA-N 0 1 295.386 3.394 20 10 CGCDMN Cc1nc(F)ccc1CNCc1ccc(N(C)C)c(F)c1 ZINC000278548142 379400898 /nfs/dbraw/zinc/40/08/98/379400898.db2.gz URNJQTPMJSUYBA-UHFFFAOYSA-N 0 1 291.345 3.024 20 10 CGCDMN CC(C)(C)c1csc(CNCc2ccccc2O)n1 ZINC000105498408 392291374 /nfs/dbraw/zinc/29/13/74/392291374.db2.gz WKMNUWLQUWQOEL-UHFFFAOYSA-N 0 1 276.405 3.436 20 10 CGCDMN Oc1ccccc1CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179558762 392702236 /nfs/dbraw/zinc/70/22/36/392702236.db2.gz SASJLZZYWJAZQG-KRWDZBQOSA-N 0 1 287.334 3.105 20 10 CGCDMN C[C@H]([NH2+]CCCCCO)c1ccc2ccccc2c1[O-] ZINC000192926267 227386820 /nfs/dbraw/zinc/38/68/20/227386820.db2.gz MGBOGKSFYBCLAA-ZDUSSCGKSA-N 0 1 273.376 3.359 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2ccco2)cc1F ZINC000162151281 261271962 /nfs/dbraw/zinc/27/19/62/261271962.db2.gz QZEJPQFUCCHZIS-UHFFFAOYSA-N 0 1 262.328 3.117 20 10 CGCDMN Cc1csc(C(C)(C)NCc2cccc(C)c2O)n1 ZINC000182213794 261929792 /nfs/dbraw/zinc/92/97/92/261929792.db2.gz XKIJTDUAISQCFT-UHFFFAOYSA-N 0 1 276.405 3.490 20 10 CGCDMN COc1ncccc1C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000184985235 262035481 /nfs/dbraw/zinc/03/54/81/262035481.db2.gz BIKXQEFRVCSKDC-SNVBAGLBSA-N 0 1 292.766 3.300 20 10 CGCDMN Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000184978423 262035801 /nfs/dbraw/zinc/03/58/01/262035801.db2.gz DJWDZWYLIFEXTC-NSHDSACASA-N 0 1 293.798 3.361 20 10 CGCDMN C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000185190855 262045066 /nfs/dbraw/zinc/04/50/66/262045066.db2.gz YQNXEEDYQKIODF-QMTHXVAHSA-N 0 1 285.815 3.493 20 10 CGCDMN CN(C)c1ccc(CNCc2cc(O)cc(F)c2)cc1F ZINC000185499531 262057229 /nfs/dbraw/zinc/05/72/29/262057229.db2.gz VJHUSFREWNJWGA-UHFFFAOYSA-N 0 1 292.329 3.026 20 10 CGCDMN COC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C1CC1 ZINC000186153390 262082082 /nfs/dbraw/zinc/08/20/82/262082082.db2.gz UZNHGQPEQKZDOV-TVQRCGJNSA-N 0 1 269.772 3.121 20 10 CGCDMN C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(N(C)C)cc1 ZINC000271511779 278383775 /nfs/dbraw/zinc/38/37/75/278383775.db2.gz NWNDCUZTYIPFEA-WBMJQRKESA-N 0 1 284.407 3.204 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000268983047 328188173 /nfs/dbraw/zinc/18/81/73/328188173.db2.gz RUJAEULKIRLANF-NSHDSACASA-N 0 1 281.783 3.237 20 10 CGCDMN CO[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000378631402 329057117 /nfs/dbraw/zinc/05/71/17/329057117.db2.gz GYYMLDIINPQRDU-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000378631402 329057118 /nfs/dbraw/zinc/05/71/18/329057118.db2.gz GYYMLDIINPQRDU-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN C[C@H](N[C@H]1CCc2cccc(O)c21)c1ncccc1F ZINC000528038208 330303271 /nfs/dbraw/zinc/30/32/71/330303271.db2.gz RGXLXYWYGQLSKS-GWCFXTLKSA-N 0 1 272.323 3.264 20 10 CGCDMN Cc1nnc([C@H](C)N[C@H](C)c2ccc(C)cc2O)s1 ZINC000274123250 334776107 /nfs/dbraw/zinc/77/61/07/334776107.db2.gz AUEXTJBDHWPSKA-ZJUUUORDSA-N 0 1 277.393 3.272 20 10 CGCDMN CC[C@H](N[C@@H](C)c1nnc(C(C)C)[nH]1)c1ccccc1O ZINC000274812123 522702446 /nfs/dbraw/zinc/70/24/46/522702446.db2.gz YDKTZHRUKFXXEW-AAEUAGOBSA-N 0 1 288.395 3.436 20 10 CGCDMN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c1[O-] ZINC000289842850 524867742 /nfs/dbraw/zinc/86/77/42/524867742.db2.gz URECFNRBELWDKR-RYUDHWBXSA-N 0 1 283.799 3.116 20 10 CGCDMN Cc1csc(CN[C@@H](C)c2cc(F)ccc2O)n1 ZINC000094617787 526359017 /nfs/dbraw/zinc/35/90/17/526359017.db2.gz PGOJVRFWJPFQBR-VIFPVBQESA-N 0 1 266.341 3.147 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[NH+]1Cc2ccccc2C1 ZINC000729984277 571939595 /nfs/dbraw/zinc/93/95/95/571939595.db2.gz NECNYUXYKGSDTI-UHFFFAOYSA-N 0 1 276.339 3.456 20 10 CGCDMN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000743397644 572657102 /nfs/dbraw/zinc/65/71/02/572657102.db2.gz QGFIPZMMYWCFDZ-ZDUSSCGKSA-N 0 1 288.416 3.268 20 10 CGCDMN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)CCS1 ZINC000743397644 572657105 /nfs/dbraw/zinc/65/71/05/572657105.db2.gz QGFIPZMMYWCFDZ-ZDUSSCGKSA-N 0 1 288.416 3.268 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736797984 572813966 /nfs/dbraw/zinc/81/39/66/572813966.db2.gz PIOBESPQXAMIJM-LLVKDONJSA-N 0 1 285.343 3.085 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1O ZINC000252727988 617622394 /nfs/dbraw/zinc/62/23/94/617622394.db2.gz VMMWPODUQLXCPK-GHMZBOCLSA-N 0 1 279.355 3.212 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1[O-] ZINC000252727988 617622397 /nfs/dbraw/zinc/62/23/97/617622397.db2.gz VMMWPODUQLXCPK-GHMZBOCLSA-N 0 1 279.355 3.212 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1[O-] ZINC000252727988 617622403 /nfs/dbraw/zinc/62/24/03/617622403.db2.gz VMMWPODUQLXCPK-GHMZBOCLSA-N 0 1 279.355 3.212 20 10 CGCDMN CCC(C)(C)[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000892003975 618482698 /nfs/dbraw/zinc/48/26/98/618482698.db2.gz FRLXGRVVKYRJKW-UHFFFAOYSA-N 0 1 267.369 3.030 20 10 CGCDMN Cc1cc(F)ncc1CNCc1ccc(N(C)C)c(F)c1 ZINC000892738216 618928946 /nfs/dbraw/zinc/92/89/46/618928946.db2.gz SZTGAFDOOCRXPI-UHFFFAOYSA-N 0 1 291.345 3.024 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000840895571 618961620 /nfs/dbraw/zinc/96/16/20/618961620.db2.gz NVEVFTNEYMYYGC-GMXVVIOVSA-N 0 1 283.799 3.247 20 10 CGCDMN CC(C)Cn1ccnc1CN[C@H](C)c1ccccc1O ZINC000183529891 619044602 /nfs/dbraw/zinc/04/46/02/619044602.db2.gz MQYDRCYEADROSV-CYBMUJFWSA-N 0 1 273.380 3.096 20 10 CGCDMN COc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000893683324 619278832 /nfs/dbraw/zinc/27/88/32/619278832.db2.gz GWTFXHUDCHAIMU-LBPRGKRZSA-N 0 1 274.364 3.205 20 10 CGCDMN CCc1cnc(CNCc2cc(C)cc(OC)c2O)s1 ZINC000894315810 619487597 /nfs/dbraw/zinc/48/75/97/619487597.db2.gz NESXUDZDVIZMES-UHFFFAOYSA-N 0 1 292.404 3.018 20 10 CGCDMN Cc1ccncc1C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894621804 619590590 /nfs/dbraw/zinc/59/05/90/619590590.db2.gz KELVSVYMOLSPRB-UHFFFAOYSA-N 0 1 278.302 3.006 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CC[C@H]1C(F)F ZINC000895432417 619825516 /nfs/dbraw/zinc/82/55/16/619825516.db2.gz ZNUUCNKIHVEMGV-VIFPVBQESA-N 0 1 265.662 3.024 20 10 CGCDMN C[N@@H+](Cc1cccc(Cl)c1[O-])C(C)(C)CN1CCCC1 ZINC000841892914 619874026 /nfs/dbraw/zinc/87/40/26/619874026.db2.gz ADQZUTNNZNBULC-UHFFFAOYSA-N 0 1 296.842 3.352 20 10 CGCDMN CN(Cc1cccc(Cl)c1[O-])C(C)(C)C[NH+]1CCCC1 ZINC000841892914 619874028 /nfs/dbraw/zinc/87/40/28/619874028.db2.gz ADQZUTNNZNBULC-UHFFFAOYSA-N 0 1 296.842 3.352 20 10 CGCDMN C[C@H]1Cc2cc(CN3Cc4cccc(O)c4C3)ccc2O1 ZINC000895784811 619885353 /nfs/dbraw/zinc/88/53/53/619885353.db2.gz MUHOUXJXRGWEET-LBPRGKRZSA-N 0 1 281.355 3.231 20 10 CGCDMN Cc1cnc(CN[C@@H](C)c2cc(C)ccc2O)s1 ZINC000185568983 625385752 /nfs/dbraw/zinc/38/57/52/625385752.db2.gz FNWQEXRRWMOTEU-NSHDSACASA-N 0 1 262.378 3.316 20 10 CGCDMN Cc1cccc(O)c1CN1CCS[C@H](C(F)(F)F)C1 ZINC000896453950 620009117 /nfs/dbraw/zinc/00/91/17/620009117.db2.gz QXZYDYDQHARTNY-LBPRGKRZSA-N 0 1 291.338 3.180 20 10 CGCDMN CC[C@H](N[C@H](c1ncccn1)C1CC1)c1ccccc1O ZINC000903326653 621700014 /nfs/dbraw/zinc/70/00/14/621700014.db2.gz MDZJBHOVWPKJCZ-HOCLYGCPSA-N 0 1 283.375 3.374 20 10 CGCDMN CC[C@@H](N[C@@H](c1ncccn1)C1CC1)c1ccccc1O ZINC000903326651 621700390 /nfs/dbraw/zinc/70/03/90/621700390.db2.gz MDZJBHOVWPKJCZ-GDBMZVCRSA-N 0 1 283.375 3.374 20 10 CGCDMN C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000903435281 621745364 /nfs/dbraw/zinc/74/53/64/621745364.db2.gz CCUFLIDGWQLLIR-FZZIBODNSA-N 0 1 281.783 3.121 20 10 CGCDMN CC1=CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000769447055 625570586 /nfs/dbraw/zinc/57/05/86/625570586.db2.gz SNAQZTBXOKNHQM-UHFFFAOYSA-N 0 1 282.727 3.106 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1[O-] ZINC000224711517 622882912 /nfs/dbraw/zinc/88/29/12/622882912.db2.gz BQXUHCCWEFMTAY-QWRGUYRKSA-N 0 1 279.355 3.354 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c1[O-] ZINC000224711517 622882916 /nfs/dbraw/zinc/88/29/16/622882916.db2.gz BQXUHCCWEFMTAY-QWRGUYRKSA-N 0 1 279.355 3.354 20 10 CGCDMN C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000228072710 623039292 /nfs/dbraw/zinc/03/92/92/623039292.db2.gz HNKJWDRGANAYJP-AGIUHOORSA-N 0 1 273.376 3.355 20 10 CGCDMN CCC(O)(CC)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000788076864 625652702 /nfs/dbraw/zinc/65/27/02/625652702.db2.gz HGPGHZQYLNHIKS-UHFFFAOYSA-N 0 1 271.788 3.076 20 10 CGCDMN CCc1nc(CN[C@@H](C)c2ccccc2O)cs1 ZINC000179882955 624694645 /nfs/dbraw/zinc/69/46/45/624694645.db2.gz KYIIVVMZSGIKEP-JTQLQIEISA-N 0 1 262.378 3.262 20 10 CGCDMN CCOc1cccc(CN[C@@H](C)c2nc(C)cs2)c1O ZINC000069168287 624801818 /nfs/dbraw/zinc/80/18/18/624801818.db2.gz BIRAKVBXFQKDNQ-NSHDSACASA-N 0 1 292.404 3.407 20 10 CGCDMN COc1ccc(O)c([C@@H](C)NCc2nc3ccccc3o2)c1 ZINC000182429731 624998857 /nfs/dbraw/zinc/99/88/57/624998857.db2.gz YNXBLVWEYVFDCR-LLVKDONJSA-N 0 1 298.342 3.393 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCCC[C@@H]2C)c1[O-] ZINC000070410625 625005639 /nfs/dbraw/zinc/00/56/39/625005639.db2.gz TVVRRCXNDFSLIZ-NSHDSACASA-N 0 1 279.355 3.498 20 10 CGCDMN COc1ccc(O)c(CN2CC(C)(CC(F)(F)F)C2)c1 ZINC000839146041 626317212 /nfs/dbraw/zinc/31/72/12/626317212.db2.gz VSGSYFVJSIUMPM-UHFFFAOYSA-N 0 1 289.297 3.175 20 10 CGCDMN CC1=CC[N@@H+](Cc2c(O)ccc3ccncc32)CC1 ZINC000755770559 626644938 /nfs/dbraw/zinc/64/49/38/626644938.db2.gz KVNYKOJJFSPOSU-UHFFFAOYSA-N 0 1 254.333 3.092 20 10 CGCDMN CC1=CC[N@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000755770559 626644941 /nfs/dbraw/zinc/64/49/41/626644941.db2.gz KVNYKOJJFSPOSU-UHFFFAOYSA-N 0 1 254.333 3.092 20 10 CGCDMN CC1=CC[N@@H+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000755770559 626644943 /nfs/dbraw/zinc/64/49/43/626644943.db2.gz KVNYKOJJFSPOSU-UHFFFAOYSA-N 0 1 254.333 3.092 20 10 CGCDMN CCc1cc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3F)on1 ZINC000756604034 626719834 /nfs/dbraw/zinc/71/98/34/626719834.db2.gz CPUFTIAWMSXJMU-TVQRCGJNSA-N 0 1 290.338 3.420 20 10 CGCDMN C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756606194 626720019 /nfs/dbraw/zinc/72/00/19/626720019.db2.gz WMLCRTVAHVDULL-NOHGZBONSA-N 0 1 281.371 3.076 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C1CCOCC1 ZINC000756627368 626721191 /nfs/dbraw/zinc/72/11/91/626721191.db2.gz HPMPOTCCWQZOET-XHDPSFHLSA-N 0 1 281.371 3.387 20 10 CGCDMN Cc1ccc([C@H](C)NCc2csc(N(C)C)n2)c(O)c1 ZINC000756636540 626722454 /nfs/dbraw/zinc/72/24/54/626722454.db2.gz KFKKPPKSUKBECN-NSHDSACASA-N 0 1 291.420 3.074 20 10 CGCDMN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C1CCOCC1 ZINC000756656374 626725420 /nfs/dbraw/zinc/72/54/20/626725420.db2.gz WQHSSSVVCJGJAE-SUNKGSAMSA-N 0 1 293.382 3.484 20 10 CGCDMN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C3CC3)C2)c1O ZINC000761203733 627025024 /nfs/dbraw/zinc/02/50/24/627025024.db2.gz MAAINHQGYLMRPT-NSHDSACASA-N 0 1 281.783 3.286 20 10 CGCDMN CC[C@H]([NH2+]CCC1CC(O)C1)c1cc(Cl)ccc1[O-] ZINC000762646654 627119192 /nfs/dbraw/zinc/11/91/92/627119192.db2.gz ASJDXFDDKWXBCW-OVGLSYRBSA-N 0 1 283.799 3.247 20 10 CGCDMN C[C@]1(C[NH2+]Cc2c([O-])cccc2Cl)CCO[C@@H]1C1CC1 ZINC000767195511 627389319 /nfs/dbraw/zinc/38/93/19/627389319.db2.gz JTOTWULZBPQVKB-HZPDHXFCSA-N 0 1 295.810 3.340 20 10 CGCDMN COc1cc(O)c(CN2Cc3ccccc3[C@@H]2C)cc1OC ZINC000768465301 627481061 /nfs/dbraw/zinc/48/10/61/627481061.db2.gz GDSUWYHLKPFALK-LBPRGKRZSA-N 0 1 299.370 3.486 20 10 CGCDMN COc1cccc(O)c1CN1CCC[C@H]1c1cc(C)no1 ZINC000768879802 627505744 /nfs/dbraw/zinc/50/57/44/627505744.db2.gz YFMAGFCFDKOXCL-ZDUSSCGKSA-N 0 1 288.347 3.034 20 10 CGCDMN CCCC[N@H+](CCOC)Cc1c([O-])cccc1Cl ZINC000769389812 627547610 /nfs/dbraw/zinc/54/76/10/627547610.db2.gz PVBYGCSQUZJDPU-UHFFFAOYSA-N 0 1 271.788 3.294 20 10 CGCDMN CCCC[N@@H+](CCOC)Cc1c([O-])cccc1Cl ZINC000769389812 627547613 /nfs/dbraw/zinc/54/76/13/627547613.db2.gz PVBYGCSQUZJDPU-UHFFFAOYSA-N 0 1 271.788 3.294 20 10 CGCDMN CCN(C)c1ccc(CN[C@@H](C)c2ccccn2)cc1 ZINC000773842301 627920341 /nfs/dbraw/zinc/92/03/41/627920341.db2.gz VXKJPCHNLDFXBL-AWEZNQCLSA-N 0 1 269.392 3.389 20 10 CGCDMN CC[C@@H]([NH2+]C1CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000775485153 628098842 /nfs/dbraw/zinc/09/88/42/628098842.db2.gz NYXWXIGJNDWGFN-CQSZACIVSA-N 0 1 282.815 3.181 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000775487724 628099285 /nfs/dbraw/zinc/09/92/85/628099285.db2.gz NXYWTQDVMPNUHZ-TZMCWYRMSA-N 0 1 295.766 3.413 20 10 CGCDMN CC[C@H]([NH2+]CC(C)(C)CCO)c1cc(Cl)ccc1[O-] ZINC000775513225 628102680 /nfs/dbraw/zinc/10/26/80/628102680.db2.gz OZIJFRSJASHLJT-ZDUSSCGKSA-N 0 1 285.815 3.495 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cnn(C)c1C)c1cc(Cl)ccc1[O-] ZINC000775524232 628103339 /nfs/dbraw/zinc/10/33/39/628103339.db2.gz DRBCGJQHKSNZTK-CQSZACIVSA-N 0 1 293.798 3.328 20 10 CGCDMN CC[C@H]([NH2+]CC1(CO)CCC1)c1cc(Cl)ccc1[O-] ZINC000775550734 628105639 /nfs/dbraw/zinc/10/56/39/628105639.db2.gz AEZWHGFVXKEPPU-ZDUSSCGKSA-N 0 1 283.799 3.249 20 10 CGCDMN C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CC(C)(C)O1 ZINC000775663133 628122441 /nfs/dbraw/zinc/12/24/41/628122441.db2.gz ZEJIDRBBQZQDEE-VIFPVBQESA-N 0 1 287.762 3.184 20 10 CGCDMN C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC(C)(C)O1 ZINC000775663133 628122445 /nfs/dbraw/zinc/12/24/45/628122445.db2.gz ZEJIDRBBQZQDEE-VIFPVBQESA-N 0 1 287.762 3.184 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC(C)(C)O1 ZINC000775663133 628122446 /nfs/dbraw/zinc/12/24/46/628122446.db2.gz ZEJIDRBBQZQDEE-VIFPVBQESA-N 0 1 287.762 3.184 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000775725701 628129091 /nfs/dbraw/zinc/12/90/91/628129091.db2.gz LXJLAOJWOYPYRT-WDEREUQCSA-N 0 1 299.773 3.043 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781531479 628569027 /nfs/dbraw/zinc/56/90/27/628569027.db2.gz DNJQGZLWNKTGLT-SNVBAGLBSA-N 0 1 291.725 3.249 20 10 CGCDMN CC1(C)CCC[C@](O)(C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000782535234 628653256 /nfs/dbraw/zinc/65/32/56/628653256.db2.gz MJYZEWTVADYRKU-MRXNPFEDSA-N 0 1 297.826 3.467 20 10 CGCDMN CC(C)N(Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCOC1 ZINC000862372729 629356226 /nfs/dbraw/zinc/35/62/26/629356226.db2.gz RPHSWZOEUHDIOV-ZDUSSCGKSA-N 0 1 298.377 3.030 20 10 CGCDMN C[C@@H]1CSCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000792718565 629377387 /nfs/dbraw/zinc/37/73/87/629377387.db2.gz AVHDSOZONSQOKX-LBPRGKRZSA-N 0 1 288.416 3.125 20 10 CGCDMN C[C@@H]1CSCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000792718565 629377389 /nfs/dbraw/zinc/37/73/89/629377389.db2.gz AVHDSOZONSQOKX-LBPRGKRZSA-N 0 1 288.416 3.125 20 10 CGCDMN C[C@@H]1CSCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000792718565 629377392 /nfs/dbraw/zinc/37/73/92/629377392.db2.gz AVHDSOZONSQOKX-LBPRGKRZSA-N 0 1 288.416 3.125 20 10 CGCDMN CCN(CC)c1ccc(CNCC2(F)CC2)cc1F ZINC000792975644 629398894 /nfs/dbraw/zinc/39/88/94/629398894.db2.gz YNKKDVNHKAOHNP-UHFFFAOYSA-N 0 1 268.351 3.264 20 10 CGCDMN CC[C@H]([NH2+]CCC1(O)CCC1)c1cc(Cl)ccc1[O-] ZINC000793567055 629484705 /nfs/dbraw/zinc/48/47/05/629484705.db2.gz XBJUQONYMXLGLQ-ZDUSSCGKSA-N 0 1 283.799 3.391 20 10 CGCDMN C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000797066935 629881214 /nfs/dbraw/zinc/88/12/14/629881214.db2.gz VHXXMRMIOKVYGZ-AUTRQRHGSA-N 0 1 271.813 3.448 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(C)CCOC2)c1[O-] ZINC000808696799 630295062 /nfs/dbraw/zinc/29/50/62/630295062.db2.gz WNBGSURWXFLDNY-XHDPSFHLSA-N 0 1 283.799 3.431 20 10 CGCDMN CCc1nocc1CN(C)Cc1c(O)ccc2ccncc21 ZINC000840089306 630587979 /nfs/dbraw/zinc/58/79/79/630587979.db2.gz KQOZPKSHFKIKJI-UHFFFAOYSA-N 0 1 297.358 3.123 20 10 CGCDMN Cc1ccc2c(c1)C[N@H+](Cc1cccc(F)c1[O-])CCO2 ZINC000809703148 630787040 /nfs/dbraw/zinc/78/70/40/630787040.db2.gz FVYNXDSQUIQATB-UHFFFAOYSA-N 0 1 287.334 3.234 20 10 CGCDMN CC[C@@]1(C)COCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000815078804 631713080 /nfs/dbraw/zinc/71/30/80/631713080.db2.gz GYIHTWDHIIMAME-KRWDZBQOSA-N 0 1 276.424 3.062 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCCO1 ZINC000816496100 631994283 /nfs/dbraw/zinc/99/42/83/631994283.db2.gz WIZGHXQCBMACFY-NSHDSACASA-N 0 1 287.762 3.186 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000816516422 632001757 /nfs/dbraw/zinc/00/17/57/632001757.db2.gz FHGAGTGPJIIQAH-WDEREUQCSA-N 0 1 299.773 3.043 20 10 CGCDMN Cc1cccc(CNCc2c(F)cc(F)cc2F)c1O ZINC000816651061 632036696 /nfs/dbraw/zinc/03/66/96/632036696.db2.gz QYMXJCVFZAOGOG-UHFFFAOYSA-N 0 1 281.277 3.408 20 10 CGCDMN C[C@H](NCC[NH2+]C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817953993 632249084 /nfs/dbraw/zinc/24/90/84/632249084.db2.gz URLIAPRDVGSZFF-QMMMGPOBSA-N 0 1 289.206 3.102 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](N)C(C)C)c1cccc(Cl)c1[O-] ZINC000817959791 632254408 /nfs/dbraw/zinc/25/44/08/632254408.db2.gz VCANBWMHRWJHNU-OLZOCXBDSA-N 0 1 270.804 3.070 20 10 CGCDMN C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000866513628 633169935 /nfs/dbraw/zinc/16/99/35/633169935.db2.gz WYOLQGYOXQZTCS-XTQGRXLLSA-N 0 1 293.382 3.387 20 10 CGCDMN CC[C@H](NCc1nn(C)cc1C(F)F)c1ccccc1O ZINC000866566354 633197375 /nfs/dbraw/zinc/19/73/75/633197375.db2.gz ZMCDCDDNCSLURW-LBPRGKRZSA-N 0 1 295.333 3.304 20 10 CGCDMN CC(C)(CO)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824603609 633264352 /nfs/dbraw/zinc/26/43/52/633264352.db2.gz WJACUEZWFSNJAM-UHFFFAOYSA-N 0 1 273.376 3.044 20 10 CGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824650122 633267732 /nfs/dbraw/zinc/26/77/32/633267732.db2.gz JBYCDUCIOUQZAA-LBPRGKRZSA-N 0 1 282.181 3.139 20 10 CGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650122 633267739 /nfs/dbraw/zinc/26/77/39/633267739.db2.gz JBYCDUCIOUQZAA-LBPRGKRZSA-N 0 1 282.181 3.139 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](C)O)cc1Cl ZINC000824829683 633297244 /nfs/dbraw/zinc/29/72/44/633297244.db2.gz KGXODJPYXQMXAU-WCQYABFASA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)cc1Cl ZINC000824829683 633297256 /nfs/dbraw/zinc/29/72/56/633297256.db2.gz KGXODJPYXQMXAU-WCQYABFASA-N 0 1 283.799 3.089 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@H]2c2ccccn2)ccc(F)c1F ZINC000876585431 634862435 /nfs/dbraw/zinc/86/24/35/634862435.db2.gz LJLLUYXXIYCTCA-AWEZNQCLSA-N 0 1 290.313 3.403 20 10 CGCDMN CCn1ccnc1[C@H](C)NCc1cc(Cl)cc(C)c1O ZINC000825005263 633316616 /nfs/dbraw/zinc/31/66/16/633316616.db2.gz FYFBHRCWUDEBBJ-NSHDSACASA-N 0 1 293.798 3.421 20 10 CGCDMN Cc1cc(O)c(CNCc2nccs2)cc1Cl ZINC000825132019 633331840 /nfs/dbraw/zinc/33/18/40/633331840.db2.gz VXKJPXMEWZROMQ-UHFFFAOYSA-N 0 1 268.769 3.100 20 10 CGCDMN CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825501487 633358451 /nfs/dbraw/zinc/35/84/51/633358451.db2.gz QBKYUAZNNPRZKH-GHMZBOCLSA-N 0 1 299.798 3.031 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1Cl ZINC000825525507 633361911 /nfs/dbraw/zinc/36/19/11/633361911.db2.gz FVTULQUUJQWTCK-BBRMVZONSA-N 0 1 295.810 3.401 20 10 CGCDMN COCC1([NH2+]Cc2cc(Cl)c(C)cc2[O-])CCC1 ZINC000825843187 633384147 /nfs/dbraw/zinc/38/41/47/633384147.db2.gz PTYKIOFAUYRPQK-UHFFFAOYSA-N 0 1 269.772 3.013 20 10 CGCDMN CS[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000826049054 633400910 /nfs/dbraw/zinc/40/09/10/633400910.db2.gz OEYGJYOSHNUFNR-LLVKDONJSA-N 0 1 271.813 3.291 20 10 CGCDMN CS[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000826049054 633400916 /nfs/dbraw/zinc/40/09/16/633400916.db2.gz OEYGJYOSHNUFNR-LLVKDONJSA-N 0 1 271.813 3.291 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1Cl ZINC000827152623 633464759 /nfs/dbraw/zinc/46/47/59/633464759.db2.gz UDIRZSGOSJWBTQ-INIZCTEOSA-N 0 1 295.810 3.091 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)cc1Cl ZINC000827152623 633464766 /nfs/dbraw/zinc/46/47/66/633464766.db2.gz UDIRZSGOSJWBTQ-INIZCTEOSA-N 0 1 295.810 3.091 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1Cl ZINC000827152623 633464768 /nfs/dbraw/zinc/46/47/68/633464768.db2.gz UDIRZSGOSJWBTQ-INIZCTEOSA-N 0 1 295.810 3.091 20 10 CGCDMN C[C@@H](O)[C@@H]([NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000827856834 633525769 /nfs/dbraw/zinc/52/57/69/633525769.db2.gz TWUSSYXFZPEWCI-BDJLRTHQSA-N 0 1 291.778 3.257 20 10 CGCDMN Cc1ccc(CN(C)Cc2ccc(N(C)C)c(C)c2)nc1 ZINC000831059635 633914411 /nfs/dbraw/zinc/91/44/11/633914411.db2.gz YWAPNMDUVQQERK-UHFFFAOYSA-N 0 1 283.419 3.396 20 10 CGCDMN CC[C@@H]1C[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000832059516 634026518 /nfs/dbraw/zinc/02/65/18/634026518.db2.gz OAWFXUVTLZOXJA-GMSGAONNSA-N 0 1 288.174 3.361 20 10 CGCDMN CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000846184684 636155627 /nfs/dbraw/zinc/15/56/27/636155627.db2.gz QMDJQUDKTDGCEI-COPLHBTASA-N 0 1 285.815 3.493 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000834588399 634191902 /nfs/dbraw/zinc/19/19/02/634191902.db2.gz BMSRWNLOXMBBNQ-CZUORRHYSA-N 0 1 284.407 3.053 20 10 CGCDMN CCc1nc(CN[C@@H](C)c2ccc(C)c(C)c2O)co1 ZINC000834899389 634275766 /nfs/dbraw/zinc/27/57/66/634275766.db2.gz PNZXSZLQICZRRQ-LBPRGKRZSA-N 0 1 274.364 3.410 20 10 CGCDMN CCCc1ncc(CN[C@@H](C)c2cc(C)ccc2O)o1 ZINC000834900456 634276901 /nfs/dbraw/zinc/27/69/01/634276901.db2.gz PXUNRKKVBCTWRK-LBPRGKRZSA-N 0 1 274.364 3.492 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1cc(Cl)ccc1[O-] ZINC000834903078 634280067 /nfs/dbraw/zinc/28/00/67/634280067.db2.gz IAFJPVPAFJWKMA-NOZJJQNGSA-N 0 1 269.772 3.121 20 10 CGCDMN CCc1noc(C)c1CNC/C=C/c1ccc(N(C)C)cc1 ZINC000835055931 634339641 /nfs/dbraw/zinc/33/96/41/634339641.db2.gz PSEOSSFNKCXEPY-VOTSOKGWSA-N 0 1 299.418 3.414 20 10 CGCDMN CCn1ccc(CN[C@@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000840840163 635062247 /nfs/dbraw/zinc/06/22/47/635062247.db2.gz GNSMIUFAXYMSGA-ZDUSSCGKSA-N 0 1 299.418 3.338 20 10 CGCDMN Oc1c(CN2CCOCc3ccccc32)ccc(F)c1F ZINC000877536815 635077695 /nfs/dbraw/zinc/07/76/95/635077695.db2.gz AQMZVTWMVQXUBE-UHFFFAOYSA-N 0 1 291.297 3.207 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)CCCO)c(Cl)c1 ZINC000840907292 635079772 /nfs/dbraw/zinc/07/97/72/635079772.db2.gz BXRNTSKBBXGODO-UHFFFAOYSA-N 0 1 285.815 3.242 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC(C)(C)O2)c(Cl)c1 ZINC000840939997 635086469 /nfs/dbraw/zinc/08/64/69/635086469.db2.gz RVSTZBAWUFYQCI-NSHDSACASA-N 0 1 283.799 3.401 20 10 CGCDMN CSC1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840940529 635087495 /nfs/dbraw/zinc/08/74/95/635087495.db2.gz DWECFZODRBGHSY-UHFFFAOYSA-N 0 1 271.813 3.339 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C[C@H]1C ZINC000840949937 635090623 /nfs/dbraw/zinc/09/06/23/635090623.db2.gz DGWOXCISJHQZDJ-ABAIWWIYSA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C[C@H]1C ZINC000840949937 635090627 /nfs/dbraw/zinc/09/06/27/635090627.db2.gz DGWOXCISJHQZDJ-ABAIWWIYSA-N 0 1 283.799 3.211 20 10 CGCDMN COC1(CC[NH2+]Cc2c([O-])cc(C)cc2Cl)CCC1 ZINC000840949083 635091554 /nfs/dbraw/zinc/09/15/54/635091554.db2.gz NSHOPMNOYPQXLU-UHFFFAOYSA-N 0 1 283.799 3.403 20 10 CGCDMN Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c(O)c1 ZINC000877607301 635109359 /nfs/dbraw/zinc/10/93/59/635109359.db2.gz CYJZVIZQLCDWQI-CQSZACIVSA-N 0 1 275.392 3.092 20 10 CGCDMN CCC[C@@H](CCO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000877666713 635138641 /nfs/dbraw/zinc/13/86/41/635138641.db2.gz GWXCDVUWTGGRJI-HNNXBMFYSA-N 0 1 273.376 3.186 20 10 CGCDMN COc1cc(C)ccc1CN1Cc2cccc(O)c2C1 ZINC000877703279 635155477 /nfs/dbraw/zinc/15/54/77/635155477.db2.gz ZRNNIWXMAUYLMV-UHFFFAOYSA-N 0 1 269.344 3.225 20 10 CGCDMN COc1ccc(CN2Cc3cccc(O)c3C2)cc1C ZINC000877704049 635155729 /nfs/dbraw/zinc/15/57/29/635155729.db2.gz YGSYMZXBQYIAJT-UHFFFAOYSA-N 0 1 269.344 3.225 20 10 CGCDMN C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841746594 635222359 /nfs/dbraw/zinc/22/23/59/635222359.db2.gz IZLFTSXEWVJOGO-QMMMGPOBSA-N 0 1 297.704 3.275 20 10 CGCDMN C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841748550 635223743 /nfs/dbraw/zinc/22/37/43/635223743.db2.gz AOHGNAUVRYXCGG-RYUDHWBXSA-N 0 1 282.815 3.038 20 10 CGCDMN CC(C)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747632 635223800 /nfs/dbraw/zinc/22/38/00/635223800.db2.gz RTWWSKGMWZXERK-NSHDSACASA-N 0 1 270.804 3.036 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1[O-] ZINC000841748188 635224220 /nfs/dbraw/zinc/22/42/20/635224220.db2.gz IHFRHMQYLBBWDF-TVQRCGJNSA-N 0 1 291.782 3.497 20 10 CGCDMN C[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(Cl)cc1[O-] ZINC000841753853 635226894 /nfs/dbraw/zinc/22/68/94/635226894.db2.gz XHZBDSZUUMRLAZ-ZETCQYMHSA-N 0 1 261.699 3.494 20 10 CGCDMN CCc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])on1 ZINC000841753676 635227483 /nfs/dbraw/zinc/22/74/83/635227483.db2.gz FRQOVMHIHRGMFC-VIFPVBQESA-N 0 1 280.755 3.447 20 10 CGCDMN CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841759024 635233219 /nfs/dbraw/zinc/23/32/19/635233219.db2.gz WZOUTKXPLUZUIV-UTLUCORTSA-N 0 1 257.761 3.120 20 10 CGCDMN CC[C@H](C)C[C@@H](NCc1cccc(Cl)c1O)C(=O)OC ZINC000843415256 635661238 /nfs/dbraw/zinc/66/12/38/635661238.db2.gz HLCPQFCNECWLEZ-GXFFZTMASA-N 0 1 299.798 3.113 20 10 CGCDMN CN(C)c1ccc(CN2CC(C)(CC(F)F)C2)cc1 ZINC000843424594 635669972 /nfs/dbraw/zinc/66/99/72/635669972.db2.gz CZKZROPEJQDPHB-UHFFFAOYSA-N 0 1 268.351 3.230 20 10 CGCDMN C[C@@H]1CC2(C[N@H+]1Cc1cccc(Cl)c1[O-])CCOCC2 ZINC000843432610 635674398 /nfs/dbraw/zinc/67/43/98/635674398.db2.gz ZPZPSXAMQHYFLY-GFCCVEGCSA-N 0 1 295.810 3.437 20 10 CGCDMN CC(=O)c1cc(F)cc(CN2CCC(C)(F)CC2)c1O ZINC000879380980 635773242 /nfs/dbraw/zinc/77/32/42/635773242.db2.gz GKTVHPSJEOSSDJ-UHFFFAOYSA-N 0 1 283.318 3.058 20 10 CGCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Cl)CCS1 ZINC000128086983 635883780 /nfs/dbraw/zinc/88/37/80/635883780.db2.gz SAGQBSDGFSPAAW-UHFFFAOYSA-N 0 1 271.813 3.373 20 10 CGCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Cl)CCS1 ZINC000128086983 635883786 /nfs/dbraw/zinc/88/37/86/635883786.db2.gz SAGQBSDGFSPAAW-UHFFFAOYSA-N 0 1 271.813 3.373 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000844907676 635980769 /nfs/dbraw/zinc/98/07/69/635980769.db2.gz LSMDVTNLRILATR-GFCCVEGCSA-N 0 1 288.778 3.172 20 10 CGCDMN CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@H]1CCCOC1 ZINC000846051591 636139090 /nfs/dbraw/zinc/13/90/90/636139090.db2.gz GWADSCNRHOOMIE-JTQLQIEISA-N 0 1 287.762 3.186 20 10 CGCDMN COc1cccc([C@@H](C)NCc2nc(C)cs2)c1O ZINC000846138992 636148788 /nfs/dbraw/zinc/14/87/88/636148788.db2.gz NVCCUBZZIYWPPB-SNVBAGLBSA-N 0 1 278.377 3.017 20 10 CGCDMN C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000846188951 636156220 /nfs/dbraw/zinc/15/62/20/636156220.db2.gz RGQHPVYZDNIWNG-PIGZYNQJSA-N 0 1 293.382 3.387 20 10 CGCDMN CC1(C)CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000132765672 636836050 /nfs/dbraw/zinc/83/60/50/636836050.db2.gz YFKUBNKVBPEPIF-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2COC(C)(C)C2)c(Cl)c1 ZINC000850342391 637020549 /nfs/dbraw/zinc/02/05/49/637020549.db2.gz RBQLGNJBFCLJIP-JTQLQIEISA-N 0 1 269.772 3.011 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000850392997 637045533 /nfs/dbraw/zinc/04/55/33/637045533.db2.gz PIKGSSWQEUPKEX-WDAIWFPHSA-N 0 1 251.757 3.242 20 10 CGCDMN C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccc2ccccc2c1[O-] ZINC000850545149 637115437 /nfs/dbraw/zinc/11/54/37/637115437.db2.gz FDQBMFFSSOYALB-ZLIFDBKOSA-N 0 1 297.398 3.500 20 10 CGCDMN Cc1cc(C)c([C@@H](C)N[C@H](C)c2nccn2C)c(O)c1 ZINC000850572294 637129725 /nfs/dbraw/zinc/12/97/25/637129725.db2.gz JIPXZGZMICNGJE-CHWSQXEVSA-N 0 1 273.380 3.154 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1[O-] ZINC000135821825 637188206 /nfs/dbraw/zinc/18/82/06/637188206.db2.gz LOLLSWCHSACFCW-ZJUUUORDSA-N 0 1 281.783 3.479 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@@H]2C)c1[O-] ZINC000135821825 637188212 /nfs/dbraw/zinc/18/82/12/637188212.db2.gz LOLLSWCHSACFCW-ZJUUUORDSA-N 0 1 281.783 3.479 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@H](C)C1 ZINC000851792733 637505710 /nfs/dbraw/zinc/50/57/10/637505710.db2.gz RMAOURPOVYVBHQ-UKRRQHHQSA-N 0 1 263.381 3.172 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCO[C@H](C)C1 ZINC000851792733 637505713 /nfs/dbraw/zinc/50/57/13/637505713.db2.gz RMAOURPOVYVBHQ-UKRRQHHQSA-N 0 1 263.381 3.172 20 10 CGCDMN Cc1cc(O)c(CN2C[C@H](C)O[C@](C)(C(F)F)C2)cc1C ZINC000853629835 637877251 /nfs/dbraw/zinc/87/72/51/637877251.db2.gz LSOCYTTUQIJMBQ-LRDDRELGSA-N 0 1 299.361 3.254 20 10 CGCDMN C[C@H](NCc1ccc2c(c1)CCO2)c1cccc2c1OCO2 ZINC000924902095 638422573 /nfs/dbraw/zinc/42/25/73/638422573.db2.gz WJKIKZRCQNYHSB-LBPRGKRZSA-N 0 1 297.354 3.201 20 10 CGCDMN C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000858548088 638759219 /nfs/dbraw/zinc/75/92/19/638759219.db2.gz QVLGLPCQEFJOEZ-UAKXVISKSA-N 0 1 281.783 3.264 20 10 CGCDMN COc1cc(C)cc(CN(C)Cc2ccccc2F)c1O ZINC000192478446 640373061 /nfs/dbraw/zinc/37/30/61/640373061.db2.gz DMGHONPDSWBXCV-UHFFFAOYSA-N 0 1 289.350 3.480 20 10 CGCDMN Cc1csc(CC[NH2+]Cc2c([O-])cccc2Cl)n1 ZINC000083551857 640596628 /nfs/dbraw/zinc/59/66/28/640596628.db2.gz KHQAEDDLKXUOAS-UHFFFAOYSA-N 0 1 282.796 3.143 20 10 CGCDMN C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001254185141 806359706 /nfs/dbraw/zinc/35/97/06/806359706.db2.gz WADPCIAWGBGQRT-SNVBAGLBSA-N 0 1 299.798 3.256 20 10 CGCDMN C[N@@H+](Cc1c([O-])ccc2ccccc21)CC1CCOCC1 ZINC000156026709 799065099 /nfs/dbraw/zinc/06/50/99/799065099.db2.gz KXFCPMWZHNDRHF-UHFFFAOYSA-N 0 1 285.387 3.404 20 10 CGCDMN C[N@H+](Cc1c([O-])ccc2ccccc21)CC1CCOCC1 ZINC000156026709 799065104 /nfs/dbraw/zinc/06/51/04/799065104.db2.gz KXFCPMWZHNDRHF-UHFFFAOYSA-N 0 1 285.387 3.404 20 10 CGCDMN CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H](CC)O1 ZINC000398721951 799532693 /nfs/dbraw/zinc/53/26/93/799532693.db2.gz IXENKDJRQLALBD-BETUJISGSA-N 0 1 283.799 3.435 20 10 CGCDMN CC1(C)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701044202 799883120 /nfs/dbraw/zinc/88/31/20/799883120.db2.gz OXGDZOHIUOTNPH-LBPRGKRZSA-N 0 1 284.197 3.433 20 10 CGCDMN CC1(C)CC([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000701016541 799883487 /nfs/dbraw/zinc/88/34/87/799883487.db2.gz YCJHEGIKYAQANY-UHFFFAOYSA-N 0 1 284.197 3.433 20 10 CGCDMN CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703553701 799925634 /nfs/dbraw/zinc/92/56/34/799925634.db2.gz DNULNXHMBGFITG-NSHDSACASA-N 0 1 285.334 3.060 20 10 CGCDMN CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000703676665 799928059 /nfs/dbraw/zinc/92/80/59/799928059.db2.gz UALCQPBDJNFPGP-JGFGOQIWSA-N 0 1 271.360 3.373 20 10 CGCDMN C[C@@H]1CCC[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000706857804 799969453 /nfs/dbraw/zinc/96/94/53/799969453.db2.gz FXUQOZHMQGOIIB-SKDRFNHKSA-N 0 1 284.197 3.433 20 10 CGCDMN C[C@H]1[N@@H+](Cc2cccc(Cl)c2[O-])CCOC1(C)C ZINC000707696073 799977800 /nfs/dbraw/zinc/97/78/00/799977800.db2.gz FRXSAZPWSMBTTG-SNVBAGLBSA-N 0 1 269.772 3.045 20 10 CGCDMN Cc1ccc(C[N@H+](C)Cc2c([O-])cccc2F)cc1 ZINC001137837379 803780558 /nfs/dbraw/zinc/78/05/58/803780558.db2.gz DODMBSOAQWZFDT-UHFFFAOYSA-N 0 1 259.324 3.472 20 10 CGCDMN COc1ccc(C[N@@H+](C)Cc2c([O-])cccc2F)cc1 ZINC001137833136 803781515 /nfs/dbraw/zinc/78/15/15/803781515.db2.gz UOORYIJAUZUHQM-UHFFFAOYSA-N 0 1 275.323 3.172 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001138127481 803863278 /nfs/dbraw/zinc/86/32/78/803863278.db2.gz FTQSFLFMXKWABO-CYBMUJFWSA-N 0 1 286.350 3.306 20 10 CGCDMN CN1CCCc2cc(CN3CCc4occc4C3)ccc21 ZINC001138356455 803900098 /nfs/dbraw/zinc/90/00/98/803900098.db2.gz ONCMJWACDFXFMS-UHFFFAOYSA-N 0 1 282.387 3.220 20 10 CGCDMN CN1CCCc2cc(C[N@H+]3CCc4cnccc4C3)ccc21 ZINC001138354997 803901487 /nfs/dbraw/zinc/90/14/87/803901487.db2.gz XWYAKHCZYGDJHL-UHFFFAOYSA-N 0 1 293.414 3.022 20 10 CGCDMN CN1CCCc2cc(CN3CCc4cnccc4C3)ccc21 ZINC001138354997 803901492 /nfs/dbraw/zinc/90/14/92/803901492.db2.gz XWYAKHCZYGDJHL-UHFFFAOYSA-N 0 1 293.414 3.022 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2cc(Cl)ccn2)cc1 ZINC001139565307 804209969 /nfs/dbraw/zinc/20/99/69/804209969.db2.gz UPZBYUIKJJWEFF-UHFFFAOYSA-N 0 1 289.810 3.433 20 10 CGCDMN CC(C)[N@@H+](CCCCCO)Cc1c([O-])c(F)ccc1F ZINC001139687893 804254443 /nfs/dbraw/zinc/25/44/43/804254443.db2.gz TZSUHVMOJKQRRY-UHFFFAOYSA-N 0 1 287.350 3.043 20 10 CGCDMN CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1c(C)ccc(C)c1O ZINC001140183310 804397226 /nfs/dbraw/zinc/39/72/26/804397226.db2.gz BLWXFUJZUAGHBR-NHYWBVRUSA-N 0 1 293.407 3.029 20 10 CGCDMN C[N@H+](CCc1cccnc1)Cc1c([O-])cccc1Cl ZINC001140341466 804420770 /nfs/dbraw/zinc/42/07/70/804420770.db2.gz PLOMZAYOLOTMDO-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN C[N@@H+](CCc1cccnc1)Cc1c([O-])cccc1Cl ZINC001140341466 804420773 /nfs/dbraw/zinc/42/07/73/804420773.db2.gz PLOMZAYOLOTMDO-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001140580701 804467223 /nfs/dbraw/zinc/46/72/23/804467223.db2.gz CXLPTGSMIDSNLY-WDEREUQCSA-N 0 1 267.319 3.292 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001140583666 804468776 /nfs/dbraw/zinc/46/87/76/804468776.db2.gz QGRLUNQYXILPNY-QMMMGPOBSA-N 0 1 277.261 3.148 20 10 CGCDMN CN(C)c1ccc(CN(C)[C@@H]2CCCOC2)c(Cl)c1 ZINC001140925551 804550607 /nfs/dbraw/zinc/55/06/07/804550607.db2.gz CWWYVEZTMRHWDE-CQSZACIVSA-N 0 1 282.815 3.017 20 10 CGCDMN CC(=O)[C@H]1CCCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924120 804551270 /nfs/dbraw/zinc/55/12/70/804551270.db2.gz DVVVZRVWUIEIHR-ZDUSSCGKSA-N 0 1 294.826 3.207 20 10 CGCDMN Cc1ccc(C[N@H+](C(C)C)C2CCN(C)CC2)c(O)c1 ZINC001140954353 804558886 /nfs/dbraw/zinc/55/88/86/804558886.db2.gz RBFBEVREHDYHOT-UHFFFAOYSA-N 0 1 276.424 3.005 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001142509081 804728974 /nfs/dbraw/zinc/72/89/74/804728974.db2.gz WKVFDKMEIAUUFY-GFCCVEGCSA-N 0 1 295.251 3.240 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])[C@H]1C ZINC001142521044 804732374 /nfs/dbraw/zinc/73/23/74/804732374.db2.gz VFEPNVKNDXJPKT-ZJUUUORDSA-N 0 1 255.308 3.291 20 10 CGCDMN CCC[N@@H+](Cc1cc(F)c(F)cc1[O-])C1CCOCC1 ZINC001142530549 804733681 /nfs/dbraw/zinc/73/36/81/804733681.db2.gz IWBRQCURPDJFNN-UHFFFAOYSA-N 0 1 285.334 3.061 20 10 CGCDMN CC(C)(C)c1cccc(CN2CCOC(C)(C)C2)c1O ZINC001143104554 804801526 /nfs/dbraw/zinc/80/15/26/804801526.db2.gz VEXZXKXHPYYTHU-UHFFFAOYSA-N 0 1 277.408 3.301 20 10 CGCDMN CC[C@H]1COCCN1Cc1cccc(C(C)(C)C)c1O ZINC001143112294 804804155 /nfs/dbraw/zinc/80/41/55/804804155.db2.gz PAAHGZRZXASXSI-AWEZNQCLSA-N 0 1 277.408 3.301 20 10 CGCDMN CN(Cc1cncnc1)Cc1cccc(C(C)(C)C)c1O ZINC001143117116 804805593 /nfs/dbraw/zinc/80/55/93/804805593.db2.gz UODLCJWGGSPDOK-UHFFFAOYSA-N 0 1 285.391 3.112 20 10 CGCDMN C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)[C@@H](C)CO1 ZINC001143117225 804805690 /nfs/dbraw/zinc/80/56/90/804805690.db2.gz YDNIWDYHKVFWMW-QWHCGFSZSA-N 0 1 277.408 3.299 20 10 CGCDMN COCC1C[NH+](Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248881286 805029850 /nfs/dbraw/zinc/02/98/50/805029850.db2.gz VZKAACDJLYGKLJ-UHFFFAOYSA-N 0 1 297.826 3.421 20 10 CGCDMN CN1CCN(c2ccc(CNc3ccccc3)cc2)CC1 ZINC001167431363 807192590 /nfs/dbraw/zinc/19/25/90/807192590.db2.gz VMASLXSOMZWLQX-UHFFFAOYSA-N 0 1 281.403 3.051 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C1CC2(CC2(F)F)C1 ZINC001261600532 807770133 /nfs/dbraw/zinc/77/01/33/807770133.db2.gz IITMAKQICXEGSH-UHFFFAOYSA-N 0 1 273.710 3.323 20 10 CGCDMN Oc1ccc2c(c1)CN(Cc1cccc(Cl)c1O)C2 ZINC001182968006 810133159 /nfs/dbraw/zinc/13/31/59/810133159.db2.gz AANVQLKLEMEWDS-UHFFFAOYSA-N 0 1 275.735 3.267 20 10 CGCDMN CO[C@H](C[NH2+]Cc1ccc(Cl)cc1[O-])C1CCCC1 ZINC001183059020 810136124 /nfs/dbraw/zinc/13/61/24/810136124.db2.gz JNJIAHKMKCHYFH-OAHLLOKOSA-N 0 1 283.799 3.340 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cc1Cl ZINC001184055904 810175854 /nfs/dbraw/zinc/17/58/54/810175854.db2.gz OAANPFYSCWVXSM-BBRMVZONSA-N 0 1 295.810 3.401 20 10 CGCDMN CC[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](CC)O1 ZINC001195301009 811238503 /nfs/dbraw/zinc/23/85/03/811238503.db2.gz WXLIBKCXNMMSHH-IRXDYDNUSA-N 0 1 276.424 3.142 20 10 CGCDMN C[N@@H+](Cc1ccno1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203587082 812401325 /nfs/dbraw/zinc/40/13/25/812401325.db2.gz ZZOGUYWVPDDHBG-UHFFFAOYSA-N 0 1 287.146 3.319 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])CC[C@]1(C)O 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ZINC000282427173 379918127 /nfs/dbraw/zinc/91/81/27/379918127.db2.gz SXUBMEZZJFWUFE-UHFFFAOYSA-N 0 1 282.181 3.185 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)[C@@H](C)C1 ZINC000282441351 379919531 /nfs/dbraw/zinc/91/95/31/379919531.db2.gz UMAVDZZJHBWIAP-FZMZJTMJSA-N 0 1 283.799 3.353 20 10 CGCDMN CCc1ncc(CNCc2c(C)c3ccccc3n2C)cn1 ZINC000414448545 380241785 /nfs/dbraw/zinc/24/17/85/380241785.db2.gz RWCDMAGIGHOJOO-UHFFFAOYSA-N 0 1 294.402 3.129 20 10 CGCDMN C[C@H](CCCCO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000296579488 224646797 /nfs/dbraw/zinc/64/67/97/224646797.db2.gz UFNMZMPMPQWABI-MNOVXSKESA-N 0 1 271.788 3.247 20 10 CGCDMN C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000185671964 262064526 /nfs/dbraw/zinc/06/45/26/262064526.db2.gz WSIXCPIOTRHROA-GMXVVIOVSA-N 0 1 294.826 3.321 20 10 CGCDMN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])[nH]n1 ZINC000186130623 262081194 /nfs/dbraw/zinc/08/11/94/262081194.db2.gz GTNRFFPTHMLBRC-KOLCDFICSA-N 0 1 293.798 3.359 20 10 CGCDMN Oc1c(Cl)cccc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000375352769 267851839 /nfs/dbraw/zinc/85/18/39/267851839.db2.gz LYMNESUTQRDUMP-GFCCVEGCSA-N 0 1 277.755 3.106 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000376831957 268022356 /nfs/dbraw/zinc/02/23/56/268022356.db2.gz LAVANBLCNHFEFW-LLVKDONJSA-N 0 1 251.757 3.278 20 10 CGCDMN C[C@H](N[C@@H]1CCc2cccc(O)c21)c1ncccc1F ZINC000528038211 330303253 /nfs/dbraw/zinc/30/32/53/330303253.db2.gz RGXLXYWYGQLSKS-GXFFZTMASA-N 0 1 272.323 3.264 20 10 CGCDMN C[C@@H](N[C@@H](C)c1nncn1C)c1ccc2ccccc2c1O ZINC000273598054 334767914 /nfs/dbraw/zinc/76/79/14/334767914.db2.gz RCQSLIVYBHOYOI-NEPJUHHUSA-N 0 1 296.374 3.086 20 10 CGCDMN CCCN(Cc1ncc(C)o1)Cc1ccccc1O ZINC000076074017 521695201 /nfs/dbraw/zinc/69/52/01/521695201.db2.gz RKTUUTVDNRXYCS-UHFFFAOYSA-N 0 1 260.337 3.101 20 10 CGCDMN CCc1cnc(CN[C@@H]2CCc3cccc(O)c32)s1 ZINC000297562255 522037862 /nfs/dbraw/zinc/03/78/62/522037862.db2.gz GESQACJPAKVXGB-GFCCVEGCSA-N 0 1 274.389 3.188 20 10 CGCDMN CCc1nocc1CN(C)Cc1cc(C)c(C)cc1O ZINC000293531179 522930515 /nfs/dbraw/zinc/93/05/15/522930515.db2.gz BWKSUJCDGRJNCJ-UHFFFAOYSA-N 0 1 274.364 3.191 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H](C2CC2)O1 ZINC000280472200 525005435 /nfs/dbraw/zinc/00/54/35/525005435.db2.gz CSZNIAHLOVGQJQ-QMTHXVAHSA-N 0 1 281.783 3.045 20 10 CGCDMN C[C@H]([NH2+][C@H](CO)C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000290078264 525596214 /nfs/dbraw/zinc/59/62/14/525596214.db2.gz GQTFLQOQTFUUDS-IINYFYTJSA-N 0 1 283.799 3.247 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(CCO)CCCC1 ZINC000266635737 527531948 /nfs/dbraw/zinc/53/19/48/527531948.db2.gz RNQJYQKADMOBSA-UHFFFAOYSA-N 0 1 283.799 3.078 20 10 CGCDMN Oc1ccccc1CNCc1nc(-c2ccncc2)cs1 ZINC000733331266 572557546 /nfs/dbraw/zinc/55/75/46/572557546.db2.gz ILWQVSOGXMGZTE-UHFFFAOYSA-N 0 1 297.383 3.201 20 10 CGCDMN CCC(C)(C)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000069441518 618168740 /nfs/dbraw/zinc/16/87/40/618168740.db2.gz RIEKJRZRXWDHRU-UHFFFAOYSA-N 0 1 267.344 3.354 20 10 CGCDMN [O-]c1cccc(Cl)c1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000121321920 618172159 /nfs/dbraw/zinc/17/21/59/618172159.db2.gz IWIZZIOXGAIRKL-ZDUSSCGKSA-N 0 1 294.826 3.106 20 10 CGCDMN Cc1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])n1 ZINC000051574184 618610748 /nfs/dbraw/zinc/61/07/48/618610748.db2.gz NWGMJQXIXQZGIP-UHFFFAOYSA-N 0 1 262.740 3.039 20 10 CGCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1cccc2c1OCO2 ZINC000924575544 618860110 /nfs/dbraw/zinc/86/01/10/618860110.db2.gz XGNMNVYKYIGQSD-CYBMUJFWSA-N 0 1 298.386 3.332 20 10 CGCDMN CCOC[C@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000313481706 619175527 /nfs/dbraw/zinc/17/55/27/619175527.db2.gz HTXBSBXADBDGJZ-GFCCVEGCSA-N 0 1 283.799 3.437 20 10 CGCDMN CCOC[C@H]1CCCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000313481706 619175529 /nfs/dbraw/zinc/17/55/29/619175529.db2.gz HTXBSBXADBDGJZ-GFCCVEGCSA-N 0 1 283.799 3.437 20 10 CGCDMN Cc1noc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000185972336 619223491 /nfs/dbraw/zinc/22/34/91/619223491.db2.gz YPPXKGXWEPNTBY-NSHDSACASA-N 0 1 297.358 3.130 20 10 CGCDMN CO[C@](C)(C[NH2+]Cc1c([O-])cc(C)cc1Cl)C1CC1 ZINC000840947037 619247933 /nfs/dbraw/zinc/24/79/33/619247933.db2.gz CIQIZNZFBDIPLT-OAHLLOKOSA-N 0 1 283.799 3.259 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H]2CCC[C@@H](CO)C2)ccc2ccccc21 ZINC000840980380 619310924 /nfs/dbraw/zinc/31/09/24/619310924.db2.gz YHQGITYQHFQEFQ-CZUORRHYSA-N 0 1 285.387 3.186 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000894789859 619632630 /nfs/dbraw/zinc/63/26/30/619632630.db2.gz LHACLHPUJBSWSI-UKRRQHHQSA-N 0 1 297.345 3.060 20 10 CGCDMN Oc1c(Cl)cccc1CN1CC(C(F)(F)F)C1 ZINC000894892192 619670930 /nfs/dbraw/zinc/67/09/30/619670930.db2.gz YZRUFRXKQYWBJP-UHFFFAOYSA-N 0 1 265.662 3.040 20 10 CGCDMN CC(C)c1c[nH]c(CNCc2cc(Cl)ccc2O)n1 ZINC000895135525 619748018 /nfs/dbraw/zinc/74/80/18/619748018.db2.gz APNZOWIGQHZBFW-UHFFFAOYSA-N 0 1 279.771 3.182 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000895392913 619820107 /nfs/dbraw/zinc/82/01/07/619820107.db2.gz VHTPZFLXGDWAFR-NEPJUHHUSA-N 0 1 285.359 3.140 20 10 CGCDMN Oc1c(C[N@H+]2CC[C@@H](CF)C2)ccc2ccccc21 ZINC000895572724 619851255 /nfs/dbraw/zinc/85/12/55/619851255.db2.gz KOFJYUCKSFJQRO-LBPRGKRZSA-N 0 1 259.324 3.337 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@@H](CF)C2)ccc2ccccc21 ZINC000895572724 619851260 /nfs/dbraw/zinc/85/12/60/619851260.db2.gz KOFJYUCKSFJQRO-LBPRGKRZSA-N 0 1 259.324 3.337 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@@H](CF)C2)ccc2ccccc21 ZINC000895572724 619851263 /nfs/dbraw/zinc/85/12/63/619851263.db2.gz KOFJYUCKSFJQRO-LBPRGKRZSA-N 0 1 259.324 3.337 20 10 CGCDMN Cc1cc(CN2Cc3cccc(O)c3C2)c2c(n1)CCCC2 ZINC000895784182 619884799 /nfs/dbraw/zinc/88/47/99/619884799.db2.gz DKASGVGUMVYUQT-UHFFFAOYSA-N 0 1 294.398 3.490 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000895778625 619885026 /nfs/dbraw/zinc/88/50/26/619885026.db2.gz AXZVHIIQXRZQBY-PHIMTYICSA-N 0 1 283.824 3.149 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000895778625 619885028 /nfs/dbraw/zinc/88/50/28/619885028.db2.gz AXZVHIIQXRZQBY-PHIMTYICSA-N 0 1 283.824 3.149 20 10 CGCDMN Cc1cnc(CN[C@@H](C)c2ccc(C)cc2O)s1 ZINC000185569296 625385960 /nfs/dbraw/zinc/38/59/60/625385960.db2.gz OFONZMUANXWEEY-NSHDSACASA-N 0 1 262.378 3.316 20 10 CGCDMN COC(C)(C)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000896608497 620036963 /nfs/dbraw/zinc/03/69/63/620036963.db2.gz PPFLBSRVNSFCNQ-JTQLQIEISA-N 0 1 271.788 3.257 20 10 CGCDMN C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(Cl)cc1[O-] ZINC000841757394 620404475 /nfs/dbraw/zinc/40/44/75/620404475.db2.gz GCJTXKZMFQNWLR-IINYFYTJSA-N 0 1 269.772 3.265 20 10 CGCDMN CC(C)(C)c1coc(C[NH2+]Cc2ccc(F)c(F)c2[O-])n1 ZINC000897942412 620452602 /nfs/dbraw/zinc/45/26/02/620452602.db2.gz OMAVTPIWMTWKNU-UHFFFAOYSA-N 0 1 296.317 3.246 20 10 CGCDMN C[C@]12CSC[C@H]1C[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000898422048 620586226 /nfs/dbraw/zinc/58/62/26/620586226.db2.gz GTMNRWWKPZQTSW-RISCZKNCSA-N 0 1 283.824 3.231 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000903393007 621718749 /nfs/dbraw/zinc/71/87/49/621718749.db2.gz DCKIXQFZDYPXJW-JIMOISOXSA-N 0 1 269.772 3.121 20 10 CGCDMN CC(C)[N@H+](Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000915202336 623915814 /nfs/dbraw/zinc/91/58/14/623915814.db2.gz AJWLVTHZYPBZSD-UHFFFAOYSA-N 0 1 256.349 3.313 20 10 CGCDMN CC(C)[N@@H+](Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000915202336 623915836 /nfs/dbraw/zinc/91/58/36/623915836.db2.gz AJWLVTHZYPBZSD-UHFFFAOYSA-N 0 1 256.349 3.313 20 10 CGCDMN CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000124572907 634428236 /nfs/dbraw/zinc/42/82/36/634428236.db2.gz GFZVNZNTYVLOJA-IINYFYTJSA-N 0 1 279.355 3.497 20 10 CGCDMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000124572907 634428240 /nfs/dbraw/zinc/42/82/40/634428240.db2.gz GFZVNZNTYVLOJA-IINYFYTJSA-N 0 1 279.355 3.497 20 10 CGCDMN Oc1ccccc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183209105 625050995 /nfs/dbraw/zinc/05/09/95/625050995.db2.gz GTQDIXLDMCKYPE-INIZCTEOSA-N 0 1 287.334 3.185 20 10 CGCDMN Cc1ccc(O)c(C[N@H+](C)[C@H](C)c2cccnc2)c1 ZINC000183726664 625119742 /nfs/dbraw/zinc/11/97/42/625119742.db2.gz CFRUHWQJNGJNQR-CYBMUJFWSA-N 0 1 256.349 3.289 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CC2(CC(F)C2)C1 ZINC000839138997 626322375 /nfs/dbraw/zinc/32/23/75/626322375.db2.gz AMIZIQLFSWDLQV-UHFFFAOYSA-N 0 1 273.710 3.119 20 10 CGCDMN [O-]c1c(C[NH+]2CC3(C2)CCCOC3)ccc2ccccc21 ZINC000839137578 626322504 /nfs/dbraw/zinc/32/25/04/626322504.db2.gz GBWUGVQFKHQJLJ-UHFFFAOYSA-N 0 1 283.371 3.158 20 10 CGCDMN COc1ncc(CN(C)Cc2ccccc2O)cc1Cl ZINC000752018772 626415451 /nfs/dbraw/zinc/41/54/51/626415451.db2.gz SQQRTNVQGBJWCG-UHFFFAOYSA-N 0 1 292.766 3.081 20 10 CGCDMN C[C@H](Cc1ccoc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000754045634 626473086 /nfs/dbraw/zinc/47/30/86/626473086.db2.gz GXXDYKVHQKAABD-SNVBAGLBSA-N 0 1 265.740 3.359 20 10 CGCDMN CC(C)n1ccc(CN[C@@H](C)c2cc(F)ccc2O)n1 ZINC000756595437 626719398 /nfs/dbraw/zinc/71/93/98/626719398.db2.gz VAACNJXQIBAGDC-NSHDSACASA-N 0 1 277.343 3.160 20 10 CGCDMN CCc1cc(CN[C@H](C)c2cc(Cl)ccc2O)on1 ZINC000756611462 626720867 /nfs/dbraw/zinc/72/08/67/626720867.db2.gz WFEJLDIZBWCCKE-SECBINFHSA-N 0 1 280.755 3.447 20 10 CGCDMN CCc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])on1 ZINC000756611462 626720870 /nfs/dbraw/zinc/72/08/70/626720870.db2.gz WFEJLDIZBWCCKE-SECBINFHSA-N 0 1 280.755 3.447 20 10 CGCDMN CCC[C@H](CCO)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756619960 626721523 /nfs/dbraw/zinc/72/15/23/626721523.db2.gz ZHYVDRMZKMZVSG-BZPMIXESSA-N 0 1 295.398 3.468 20 10 CGCDMN C[C@H]([NH2+][C@@H](CCO)C1CC1)c1ccc2ccccc2c1[O-] ZINC000756741220 626729414 /nfs/dbraw/zinc/72/94/14/626729414.db2.gz WENKATMBRZPDJN-SJCJKPOMSA-N 0 1 285.387 3.357 20 10 CGCDMN Cc1ccc([C@H](C)NCc2ncccc2F)c(O)c1C ZINC000756767970 626730113 /nfs/dbraw/zinc/73/01/13/626730113.db2.gz HLHRJBGCMCZNBC-LBPRGKRZSA-N 0 1 274.339 3.394 20 10 CGCDMN C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000756782570 626731997 /nfs/dbraw/zinc/73/19/97/626731997.db2.gz CIOCBCBXXGACBB-HQJQHLMTSA-N 0 1 297.704 3.010 20 10 CGCDMN CCc1ccc(CNCc2ccc3c(c2)CCO3)o1 ZINC000760664052 626984621 /nfs/dbraw/zinc/98/46/21/626984621.db2.gz LYAYWIFWLMDYJG-UHFFFAOYSA-N 0 1 257.333 3.067 20 10 CGCDMN Cn1ccc(CNCc2cc(-c3ccccc3)ccc2O)n1 ZINC000765791517 627271054 /nfs/dbraw/zinc/27/10/54/627271054.db2.gz PQIZSWSOQRDMKR-UHFFFAOYSA-N 0 1 293.370 3.083 20 10 CGCDMN CN(C)c1ccc(CNCc2ccc3c(n2)CCCC3)cc1 ZINC000767728704 627433015 /nfs/dbraw/zinc/43/30/15/627433015.db2.gz RBSUMBGCPSSREL-UHFFFAOYSA-N 0 1 295.430 3.316 20 10 CGCDMN C[N@H+](CCOC(C)(C)C)Cc1c([O-])ccc2ccncc21 ZINC000767775582 627436244 /nfs/dbraw/zinc/43/62/44/627436244.db2.gz IPLSZPWQERXTQH-UHFFFAOYSA-N 0 1 288.391 3.187 20 10 CGCDMN C[N@@H+](CCOC(C)(C)C)Cc1c([O-])ccc2ccncc21 ZINC000767775582 627436248 /nfs/dbraw/zinc/43/62/48/627436248.db2.gz IPLSZPWQERXTQH-UHFFFAOYSA-N 0 1 288.391 3.187 20 10 CGCDMN CCOc1ccc(C[N@H+](C)[C@@H](C)C(C)C)c([O-])c1 ZINC000768269327 627471922 /nfs/dbraw/zinc/47/19/22/627471922.db2.gz MRRYISQFYINRMS-LBPRGKRZSA-N 0 1 251.370 3.267 20 10 CGCDMN CCOc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)c([O-])c1 ZINC000768269327 627471924 /nfs/dbraw/zinc/47/19/24/627471924.db2.gz MRRYISQFYINRMS-LBPRGKRZSA-N 0 1 251.370 3.267 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)C ZINC000768334378 627473276 /nfs/dbraw/zinc/47/32/76/627473276.db2.gz GOHYSFIASCUOJL-UHFFFAOYSA-N 0 1 286.759 3.432 20 10 CGCDMN CCCCC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)C ZINC000768439906 627479891 /nfs/dbraw/zinc/47/98/91/627479891.db2.gz PBSYFZGCVFCSQW-MRXNPFEDSA-N 0 1 293.407 3.219 20 10 CGCDMN CCCCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C(C)C ZINC000768439906 627479894 /nfs/dbraw/zinc/47/98/94/627479894.db2.gz PBSYFZGCVFCSQW-MRXNPFEDSA-N 0 1 293.407 3.219 20 10 CGCDMN CCN(CCC(F)(F)F)Cc1c(O)cccc1OC ZINC000769224907 627531782 /nfs/dbraw/zinc/53/17/82/627531782.db2.gz FFEGPGFFUNCODH-UHFFFAOYSA-N 0 1 277.286 3.175 20 10 CGCDMN CC1=CCN(Cc2cc(Br)ccc2O)CC1 ZINC000769446786 627553598 /nfs/dbraw/zinc/55/35/98/627553598.db2.gz POZVSWRFHLSRBG-UHFFFAOYSA-N 0 1 282.181 3.307 20 10 CGCDMN CCOc1ccc(O)c(CN(C)Cc2cccc(C)n2)c1 ZINC000769481003 627558759 /nfs/dbraw/zinc/55/87/59/627558759.db2.gz QKORJZRLIAOVGN-UHFFFAOYSA-N 0 1 286.375 3.126 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(OCC2CC2)CC1 ZINC000769502447 627560714 /nfs/dbraw/zinc/56/07/14/627560714.db2.gz YRTOIUSASUZZDF-UHFFFAOYSA-N 0 1 295.810 3.437 20 10 CGCDMN Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000769515123 627561890 /nfs/dbraw/zinc/56/18/90/627561890.db2.gz OFMNEUZCXYXPGX-LLVKDONJSA-N 0 1 251.757 3.278 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000769515123 627561891 /nfs/dbraw/zinc/56/18/91/627561891.db2.gz OFMNEUZCXYXPGX-LLVKDONJSA-N 0 1 251.757 3.278 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000769515123 627561892 /nfs/dbraw/zinc/56/18/92/627561892.db2.gz OFMNEUZCXYXPGX-LLVKDONJSA-N 0 1 251.757 3.278 20 10 CGCDMN CCOc1ccc(C[N@H+](C)[C@H](C)C2(C)CC2)c([O-])c1 ZINC000770288552 627611779 /nfs/dbraw/zinc/61/17/79/627611779.db2.gz MWYHMRRNZNXYBK-GFCCVEGCSA-N 0 1 263.381 3.411 20 10 CGCDMN CCOc1ccc(C[N@@H+](C)[C@H](C)C2(C)CC2)c([O-])c1 ZINC000770288552 627611782 /nfs/dbraw/zinc/61/17/82/627611782.db2.gz MWYHMRRNZNXYBK-GFCCVEGCSA-N 0 1 263.381 3.411 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC[C@H]2C)c1[O-] ZINC000771791413 627731495 /nfs/dbraw/zinc/73/14/95/627731495.db2.gz LCPHEVXSFHBWTE-MEBBXXQBSA-N 0 1 279.355 3.402 20 10 CGCDMN CC[C@H]1CO[C@H](C)CN1Cc1ccc(N(C)CC)cc1 ZINC000773730732 627908494 /nfs/dbraw/zinc/90/84/94/627908494.db2.gz PZJDMDSEUVNKMS-ZBFHGGJFSA-N 0 1 276.424 3.142 20 10 CGCDMN CCC[C@@]1(CO)CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000775175358 628068722 /nfs/dbraw/zinc/06/87/22/628068722.db2.gz HTRVLXUPQBRYLW-HNNXBMFYSA-N 0 1 283.799 3.173 20 10 CGCDMN CCC[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000775177048 628068812 /nfs/dbraw/zinc/06/88/12/628068812.db2.gz OJEXZJLWQJHPSE-OAHLLOKOSA-N 0 1 283.799 3.173 20 10 CGCDMN CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000775177048 628068815 /nfs/dbraw/zinc/06/88/15/628068815.db2.gz OJEXZJLWQJHPSE-OAHLLOKOSA-N 0 1 283.799 3.173 20 10 CGCDMN CCC[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000775177048 628068819 /nfs/dbraw/zinc/06/88/19/628068819.db2.gz OJEXZJLWQJHPSE-OAHLLOKOSA-N 0 1 283.799 3.173 20 10 CGCDMN CC[C@H](NCc1nccn1C)c1cc(Cl)ccc1O ZINC000775499367 628101171 /nfs/dbraw/zinc/10/11/71/628101171.db2.gz RMGTYYCHIWUGEM-LBPRGKRZSA-N 0 1 279.771 3.020 20 10 CGCDMN CC[C@H]([NH2+]Cc1nccn1C)c1cc(Cl)ccc1[O-] ZINC000775499367 628101174 /nfs/dbraw/zinc/10/11/74/628101174.db2.gz RMGTYYCHIWUGEM-LBPRGKRZSA-N 0 1 279.771 3.020 20 10 CGCDMN CCC[C@H](O)C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503637 628101698 /nfs/dbraw/zinc/10/16/98/628101698.db2.gz LEXMFPHZFGIRSN-WCQYABFASA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1CCCOC1)c1cc(Cl)ccc1[O-] ZINC000775502811 628102110 /nfs/dbraw/zinc/10/21/10/628102110.db2.gz WCZBHUHCFDMOCP-YPMHNXCESA-N 0 1 269.772 3.265 20 10 CGCDMN CC[C@@H]([NH2+]CC(C)(C)CO)c1cc(Cl)ccc1[O-] ZINC000775521937 628103172 /nfs/dbraw/zinc/10/31/72/628103172.db2.gz FSIZRXYITLHWGH-GFCCVEGCSA-N 0 1 271.788 3.105 20 10 CGCDMN CC[C@H](NCc1ccn(C)n1)c1cc(Cl)ccc1O ZINC000775523944 628103236 /nfs/dbraw/zinc/10/32/36/628103236.db2.gz BLZDAXYYUQQQER-ZDUSSCGKSA-N 0 1 279.771 3.020 20 10 CGCDMN CC[C@H]([NH2+]Cc1ccn(C)n1)c1cc(Cl)ccc1[O-] ZINC000775523944 628103237 /nfs/dbraw/zinc/10/32/37/628103237.db2.gz BLZDAXYYUQQQER-ZDUSSCGKSA-N 0 1 279.771 3.020 20 10 CGCDMN CC[C@H]([NH2+]Cc1cnn(C)c1C)c1cc(Cl)ccc1[O-] ZINC000775524225 628103608 /nfs/dbraw/zinc/10/36/08/628103608.db2.gz DRBCGJQHKSNZTK-AWEZNQCLSA-N 0 1 293.798 3.328 20 10 CGCDMN CO[C@H](C)C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C(C)C ZINC000775713579 628128494 /nfs/dbraw/zinc/12/84/94/628128494.db2.gz JTGBQAMXCKVRSW-SNVBAGLBSA-N 0 1 289.778 3.430 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000775735961 628131463 /nfs/dbraw/zinc/13/14/63/628131463.db2.gz HLMGTZQIYQRHSO-YGRLFVJLSA-N 0 1 299.773 3.186 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777439772 628270360 /nfs/dbraw/zinc/27/03/60/628270360.db2.gz LXIFWDVASFNWOL-OAHLLOKOSA-N 0 1 295.810 3.437 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@@H](C)C1 ZINC000779002058 628382796 /nfs/dbraw/zinc/38/27/96/628382796.db2.gz JQILVDSTYLZBBT-LSDHHAIUSA-N 0 1 277.408 3.419 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@@H](C)C1 ZINC000779002058 628382798 /nfs/dbraw/zinc/38/27/98/628382798.db2.gz JQILVDSTYLZBBT-LSDHHAIUSA-N 0 1 277.408 3.419 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000781903360 628604127 /nfs/dbraw/zinc/60/41/27/628604127.db2.gz ZUMIRABOYSZDLY-SECBINFHSA-N 0 1 284.197 3.305 20 10 CGCDMN CCC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000792166115 629342726 /nfs/dbraw/zinc/34/27/26/629342726.db2.gz PHFBTNUZXWZGPQ-SNVBAGLBSA-N 0 1 287.762 3.186 20 10 CGCDMN C[C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C[C@@H]1F ZINC000792174591 629344904 /nfs/dbraw/zinc/34/49/04/629344904.db2.gz YIENJFARKUSADR-KWQFWETISA-N 0 1 275.726 3.365 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)ccc2ccccc21 ZINC000862530062 629392004 /nfs/dbraw/zinc/39/20/04/629392004.db2.gz ULJBEGDYHSIFHD-DOTOQJQBSA-N 0 1 283.371 3.203 20 10 CGCDMN COc1cccc(O)c1C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000793357079 629447106 /nfs/dbraw/zinc/44/71/06/629447106.db2.gz LUDPFPNVPDYUJU-GFCCVEGCSA-N 0 1 263.381 3.411 20 10 CGCDMN COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c(O)c1 ZINC000793387289 629453196 /nfs/dbraw/zinc/45/31/96/629453196.db2.gz BUXLDXISPSDJHY-UHFFFAOYSA-N 0 1 293.750 3.050 20 10 CGCDMN CC[C@H](NCc1cscn1)c1ccc(C)cc1O ZINC000794805744 629580277 /nfs/dbraw/zinc/58/02/77/629580277.db2.gz QTXDGWCMEGMFRH-ZDUSSCGKSA-N 0 1 262.378 3.398 20 10 CGCDMN CCOc1ccc(CNc2nccn2CC(C)C)c(O)c1 ZINC000795806338 629717905 /nfs/dbraw/zinc/71/79/05/629717905.db2.gz VKDODBXBFREZNC-UHFFFAOYSA-N 0 1 289.379 3.256 20 10 CGCDMN Oc1c(CNc2cccc3c2OCC3)ccc(F)c1F ZINC000864040596 629735600 /nfs/dbraw/zinc/73/56/00/629735600.db2.gz FUJIDVDXZQTRLZ-UHFFFAOYSA-N 0 1 277.270 3.217 20 10 CGCDMN CO[C@@H]1CC[C@H](C)N(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000864054544 629749104 /nfs/dbraw/zinc/74/91/04/629749104.db2.gz URRKRUCOJSNPLX-WCQYABFASA-N 0 1 298.377 3.030 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798963740 630130392 /nfs/dbraw/zinc/13/03/92/630130392.db2.gz IWDKXHCDPSAKEG-GFCCVEGCSA-N 0 1 288.778 3.430 20 10 CGCDMN CCCCN(Cc1ccccc1O)[C@@H](CC)C(=O)OCC ZINC000801598549 630346485 /nfs/dbraw/zinc/34/64/85/630346485.db2.gz CAJBCBCYASGHGT-HNNXBMFYSA-N 0 1 293.407 3.336 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c(Cl)c1 ZINC000865689613 630360545 /nfs/dbraw/zinc/36/05/45/630360545.db2.gz KVZIEIBZCKSHEM-OPQQBVKSSA-N 0 1 269.772 3.010 20 10 CGCDMN COc1ccc2c(c1)OCCN(Cc1cccc(C)c1O)C2 ZINC000802659130 630403964 /nfs/dbraw/zinc/40/39/64/630403964.db2.gz GKVXGJUGHYIFSD-UHFFFAOYSA-N 0 1 299.370 3.104 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000806181299 630553848 /nfs/dbraw/zinc/55/38/48/630553848.db2.gz WWOVFMZBENKKCZ-UFBFGSQYSA-N 0 1 286.278 3.139 20 10 CGCDMN CCc1nocc1CN(C)Cc1cc(C)cc(C)c1O ZINC000840087930 630587350 /nfs/dbraw/zinc/58/73/50/630587350.db2.gz FCLPERTXSKUYAX-UHFFFAOYSA-N 0 1 274.364 3.191 20 10 CGCDMN Oc1cc2c(cc1CN1C[C@@]3(CCCO3)[C@@H]1C1CC1)CCC2 ZINC000840094694 630591066 /nfs/dbraw/zinc/59/10/66/630591066.db2.gz MOXCTPACBLZVAD-OALUTQOASA-N 0 1 299.414 3.024 20 10 CGCDMN [O-]c1cccc2c(NCCc3ccc(O)c(O)c3)cc[nH+]c12 ZINC000811810917 631121915 /nfs/dbraw/zinc/12/19/15/631121915.db2.gz IWIBFKLZELEODM-UHFFFAOYSA-N 0 1 296.326 3.006 20 10 CGCDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000876514537 634850048 /nfs/dbraw/zinc/85/00/48/634850048.db2.gz XTDHYDKQAINMEM-CYBMUJFWSA-N 0 1 278.302 3.336 20 10 CGCDMN Cc1cc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1N(C)C ZINC000815099584 631716087 /nfs/dbraw/zinc/71/60/87/631716087.db2.gz LBJCEAVJMSODIK-SOUVJXGZSA-N 0 1 276.424 3.059 20 10 CGCDMN Cc1cc(CN2CC(C)(C)OC[C@@H]2C)ccc1N(C)C ZINC000815102375 631717407 /nfs/dbraw/zinc/71/74/07/631717407.db2.gz OCIZONGMUKVEKS-AWEZNQCLSA-N 0 1 276.424 3.060 20 10 CGCDMN CC[C@@H]1CO[C@H](C)CN1Cc1cc(Cl)c(F)cc1O ZINC000816481216 631986724 /nfs/dbraw/zinc/98/67/24/631986724.db2.gz MWHVMLUXRTYHIG-MWLCHTKSSA-N 0 1 287.762 3.184 20 10 CGCDMN CC(C)[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816551123 632008621 /nfs/dbraw/zinc/00/86/21/632008621.db2.gz PTXUHAITIKQVDM-KRWDZBQOSA-N 0 1 273.376 3.042 20 10 CGCDMN C[C@@]1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCOC1 ZINC000816551119 632009062 /nfs/dbraw/zinc/00/90/62/632009062.db2.gz PNYXYXNASRUYBE-KRWDZBQOSA-N 0 1 271.360 3.062 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@H]2CCC[C@H](O)C2)ccc2ccccc21 ZINC000816553500 632010610 /nfs/dbraw/zinc/01/06/10/632010610.db2.gz XRRAUVWAZIUGSF-BBRMVZONSA-N 0 1 285.387 3.186 20 10 CGCDMN C[C@@]1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCCO1 ZINC000816557155 632011825 /nfs/dbraw/zinc/01/18/25/632011825.db2.gz GNBHQEBZIJCQDH-KRWDZBQOSA-N 0 1 271.360 3.204 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CN1C1CC1 ZINC000816556644 632012121 /nfs/dbraw/zinc/01/21/21/632012121.db2.gz PVTKHVWKRKBFDU-XJKSGUPXSA-N 0 1 296.414 3.260 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816566756 632014908 /nfs/dbraw/zinc/01/49/08/632014908.db2.gz FMTBIIFBANIETA-NSHDSACASA-N 0 1 287.762 3.186 20 10 CGCDMN C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@@H](C2CC2)O1 ZINC000816594956 632020307 /nfs/dbraw/zinc/02/03/07/632020307.db2.gz UODJGUGUPYDDTE-VFZGTOFNSA-N 0 1 299.773 3.184 20 10 CGCDMN [O-]c1c(C[NH+]2CCC3(CCO3)CC2)ccc2ccccc21 ZINC000816600439 632021465 /nfs/dbraw/zinc/02/14/65/632021465.db2.gz XKWAJQYYXDSXAF-UHFFFAOYSA-N 0 1 283.371 3.300 20 10 CGCDMN Oc1ccc(F)cc1CNc1cc2c(cn1)CCC2 ZINC000816660426 632039274 /nfs/dbraw/zinc/03/92/74/632039274.db2.gz DPMOXPNVGHCFLE-UHFFFAOYSA-N 0 1 258.296 3.027 20 10 CGCDMN C[C@H]([NH2+]CC1(N)CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817965644 632260002 /nfs/dbraw/zinc/26/00/02/632260002.db2.gz YTWZJOWTVSDJJJ-QMMMGPOBSA-N 0 1 289.206 3.231 20 10 CGCDMN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1O ZINC000818631546 632343818 /nfs/dbraw/zinc/34/38/18/632343818.db2.gz IXOGQOBYRJOQMK-RNCFNFMXSA-N 0 1 297.782 3.039 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCC1CCOCC1 ZINC000824477199 633249677 /nfs/dbraw/zinc/24/96/77/633249677.db2.gz JPFZIYPSBGJIQK-UHFFFAOYSA-N 0 1 283.799 3.342 20 10 CGCDMN CC[C@H](NC1CCN(c2ccc(OC)cc2)CC1)C(F)F ZINC000824509237 633251575 /nfs/dbraw/zinc/25/15/75/633251575.db2.gz JUJHKLPFALZTHR-HNNXBMFYSA-N 0 1 298.377 3.297 20 10 CGCDMN CC[C@H](NCc1cc(Cl)c(F)cc1O)C(F)F ZINC000824514733 633251862 /nfs/dbraw/zinc/25/18/62/633251862.db2.gz BYUAHXXPWDPUGH-VIFPVBQESA-N 0 1 267.678 3.318 20 10 CGCDMN CS[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000824683789 633272965 /nfs/dbraw/zinc/27/29/65/633272965.db2.gz WJVHXDYAPJLVQJ-MRVPVSSYSA-N 0 1 275.776 3.122 20 10 CGCDMN CC[C@](C)(C[NH2+]Cc1ccc2ccccc2c1[O-])OC ZINC000824743426 633281902 /nfs/dbraw/zinc/28/19/02/633281902.db2.gz BRJYZROBDRPCTI-QGZVFWFLSA-N 0 1 273.376 3.450 20 10 CGCDMN CCn1ccnc1[C@@H](C)NCc1cc(C)c(C)cc1O ZINC000825005759 633317794 /nfs/dbraw/zinc/31/77/94/633317794.db2.gz RXBNZWUVUBZRNY-CYBMUJFWSA-N 0 1 273.380 3.076 20 10 CGCDMN CC[C@@H](NCc1ncccc1OC)c1ccccc1O ZINC000825249374 633339358 /nfs/dbraw/zinc/33/93/58/633339358.db2.gz FGGUKGJBCAHYGT-CYBMUJFWSA-N 0 1 272.348 3.037 20 10 CGCDMN COC(=O)C(C)(C)CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825883263 633386296 /nfs/dbraw/zinc/38/62/96/633386296.db2.gz UIEMPQHDLDBBMN-UHFFFAOYSA-N 0 1 299.798 3.033 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C(C)C)[C@H]2CCOC2)cc1Cl ZINC000825954937 633391599 /nfs/dbraw/zinc/39/15/99/633391599.db2.gz CWKQBCFJDBUAQE-ZDUSSCGKSA-N 0 1 283.799 3.353 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C(C)C)[C@H]2CCOC2)cc1Cl ZINC000825954937 633391603 /nfs/dbraw/zinc/39/16/03/633391603.db2.gz CWKQBCFJDBUAQE-ZDUSSCGKSA-N 0 1 283.799 3.353 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCOC2(C)C)cc1Cl ZINC000826043901 633400165 /nfs/dbraw/zinc/40/01/65/633400165.db2.gz VFLLVABQRMVDIL-CYBMUJFWSA-N 0 1 269.772 3.011 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2COC(C)(C)C2)cc1Cl ZINC000826797537 633433718 /nfs/dbraw/zinc/43/37/18/633433718.db2.gz VQYXDWPLFLJAFD-LLVKDONJSA-N 0 1 269.772 3.011 20 10 CGCDMN COCC1(C2CCC2)C[NH+](Cc2c([O-])cccc2Cl)C1 ZINC000827011703 633448352 /nfs/dbraw/zinc/44/83/52/633448352.db2.gz MJFGLCRRNAGZRZ-UHFFFAOYSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1c(C[NH2+]CCO[C@@H]2CC2(F)F)ccc2ccccc21 ZINC000827073263 633454742 /nfs/dbraw/zinc/45/47/42/633454742.db2.gz RGCKFCIMXLUGFX-CQSZACIVSA-N 0 1 293.313 3.059 20 10 CGCDMN COc1ccc2c(c1)CCN(Cc1cc(F)ccc1O)C2 ZINC000827300276 633480159 /nfs/dbraw/zinc/48/01/59/633480159.db2.gz UDZIBHDMDLCCOV-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN C[C@H](NCc1cnc(C2CC2)o1)c1ccc(N(C)C)cc1 ZINC000834903881 634280115 /nfs/dbraw/zinc/28/01/15/634280115.db2.gz KSWKGJJIQRHYMR-LBPRGKRZSA-N 0 1 285.391 3.469 20 10 CGCDMN Cc1cnc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000834908196 634283219 /nfs/dbraw/zinc/28/32/19/634283219.db2.gz HYWDMCRQNNPHKE-NSHDSACASA-N 0 1 291.782 3.037 20 10 CGCDMN Cc1cnc(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000834908194 634283373 /nfs/dbraw/zinc/28/33/73/634283373.db2.gz HYWDMCRQNNPHKE-LLVKDONJSA-N 0 1 291.782 3.037 20 10 CGCDMN CC(C)n1ccc(CNC/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835039726 634329816 /nfs/dbraw/zinc/32/98/16/634329816.db2.gz JFCKJXRGOIIVFV-AATRIKPKSA-N 0 1 298.434 3.333 20 10 CGCDMN CN(C)c1ccc(C=CCN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000835043103 634330399 /nfs/dbraw/zinc/33/03/99/634330399.db2.gz MVCBOZQIUOLJPF-LAQIPUCWSA-N 0 1 296.418 3.156 20 10 CGCDMN CCN(Cc1c(C)noc1C)Cc1ccc(N(C)C)cc1 ZINC000102675963 634836599 /nfs/dbraw/zinc/83/65/99/634836599.db2.gz GEHOUNHLMFNRQF-UHFFFAOYSA-N 0 1 287.407 3.380 20 10 CGCDMN Cc1ccc(CN2CCO[C@H](c3cccs3)C2)c(O)c1 ZINC000876645009 634874459 /nfs/dbraw/zinc/87/44/59/634874459.db2.gz HIGJHHYDMJPQQD-HNNXBMFYSA-N 0 1 289.400 3.336 20 10 CGCDMN Cc1ccc(CN2CCCC[C@H]2c2ncc[nH]2)c(O)c1 ZINC000876657509 634876715 /nfs/dbraw/zinc/87/67/15/634876715.db2.gz GEQCWSRWNKWADW-AWEZNQCLSA-N 0 1 271.364 3.151 20 10 CGCDMN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877517594 635068315 /nfs/dbraw/zinc/06/83/15/635068315.db2.gz OPDZICAURYXURI-WCQYABFASA-N 0 1 299.361 3.186 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN(C)Cc1ccoc1 ZINC000840911657 635081904 /nfs/dbraw/zinc/08/19/04/635081904.db2.gz LRLIGYGNPRHMHB-UHFFFAOYSA-N 0 1 258.365 3.286 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CCc2nccs2)c(Cl)c1 ZINC000840919196 635082694 /nfs/dbraw/zinc/08/26/94/635082694.db2.gz XNADGQJBXUQZDC-UHFFFAOYSA-N 0 1 296.823 3.485 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CCc2nccs2)c(Cl)c1 ZINC000840919196 635082697 /nfs/dbraw/zinc/08/26/97/635082697.db2.gz XNADGQJBXUQZDC-UHFFFAOYSA-N 0 1 296.823 3.485 20 10 CGCDMN Cc1ncsc1CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840949968 635090810 /nfs/dbraw/zinc/09/08/10/635090810.db2.gz DKNKTJSFRLMGMF-UHFFFAOYSA-N 0 1 296.823 3.451 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN1CCO[C@@H](C2CCC2)C1 ZINC000840954029 635092466 /nfs/dbraw/zinc/09/24/66/635092466.db2.gz FPQRNMGGTCYALM-GOSISDBHSA-N 0 1 288.435 3.062 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])[C@@H](C)O1 ZINC000877683122 635143893 /nfs/dbraw/zinc/14/38/93/635143893.db2.gz SSZIINAAFJMNSC-HSMVNMDESA-N 0 1 271.360 3.201 20 10 CGCDMN CC(C)(O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877796305 635206477 /nfs/dbraw/zinc/20/64/77/635206477.db2.gz CHQJDUPSMGQVPY-LBPRGKRZSA-N 0 1 283.799 3.029 20 10 CGCDMN CC(C)(O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000877796305 635206481 /nfs/dbraw/zinc/20/64/81/635206481.db2.gz CHQJDUPSMGQVPY-LBPRGKRZSA-N 0 1 283.799 3.029 20 10 CGCDMN CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744201 635222392 /nfs/dbraw/zinc/22/23/92/635222392.db2.gz FTWNQOVUVUUERE-PWSUYJOCSA-N 0 1 271.788 3.103 20 10 CGCDMN C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841747347 635223850 /nfs/dbraw/zinc/22/38/50/635223850.db2.gz AOFFAZSKUPPPEE-IONNQARKSA-N 0 1 297.704 3.010 20 10 CGCDMN COC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841750789 635225118 /nfs/dbraw/zinc/22/51/18/635225118.db2.gz JCYHVFXIQMBVAZ-RNCFNFMXSA-N 0 1 269.772 3.121 20 10 CGCDMN CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841753275 635226787 /nfs/dbraw/zinc/22/67/87/635226787.db2.gz GBDOVAREPDNBEU-JLLWLGSASA-N 0 1 269.772 3.264 20 10 CGCDMN CO[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(C)C ZINC000841754170 635228627 /nfs/dbraw/zinc/22/86/27/635228627.db2.gz IELRJGGLJOSGGH-QMTHXVAHSA-N 0 1 271.788 3.367 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(Cl)cc1[O-] ZINC000841754620 635228758 /nfs/dbraw/zinc/22/87/58/635228758.db2.gz LAWNJDWKIGLDLR-VHSXEESVSA-N 0 1 279.771 3.191 20 10 CGCDMN C[C@H]([NH2+]CC1=CCCOC1)c1ccc(Cl)cc1[O-] ZINC000841758048 635231612 /nfs/dbraw/zinc/23/16/12/635231612.db2.gz RLFNOLFEDVYKRF-JTQLQIEISA-N 0 1 267.756 3.043 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841757332 635231948 /nfs/dbraw/zinc/23/19/48/635231948.db2.gz DOHISQNORKATFG-PWSUYJOCSA-N 0 1 285.815 3.493 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2([C@@H](O)C(C)C)CC2)c(Cl)c1 ZINC000842208534 635310975 /nfs/dbraw/zinc/31/09/75/635310975.db2.gz WPKWPRZJGMEMJF-HNNXBMFYSA-N 0 1 297.826 3.241 20 10 CGCDMN CCCCC[N@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000126879186 635334650 /nfs/dbraw/zinc/33/46/50/635334650.db2.gz UMCASVRMLAJIQH-UHFFFAOYSA-N 0 1 271.788 3.030 20 10 CGCDMN CCCCC[N@@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000126879186 635334657 /nfs/dbraw/zinc/33/46/57/635334657.db2.gz UMCASVRMLAJIQH-UHFFFAOYSA-N 0 1 271.788 3.030 20 10 CGCDMN COC(=O)[C@@H](CC(C)(C)C)NCc1cccc(Cl)c1O ZINC000843424013 635668874 /nfs/dbraw/zinc/66/88/74/635668874.db2.gz SYJKOVMEPIKVEX-GFCCVEGCSA-N 0 1 299.798 3.113 20 10 CGCDMN CC(C)n1nccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846056349 636139829 /nfs/dbraw/zinc/13/98/29/636139829.db2.gz VWZPMVXYXQWYMN-UHFFFAOYSA-N 0 1 279.771 3.113 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000846117412 636146582 /nfs/dbraw/zinc/14/65/82/636146582.db2.gz PTAYPAMYLARNIY-LBPRGKRZSA-N 0 1 291.700 3.416 20 10 CGCDMN COc1cccc([C@H](C)NCc2csc(C)n2)c1O ZINC000846145682 636149829 /nfs/dbraw/zinc/14/98/29/636149829.db2.gz PRNZTBQXBYVHLD-VIFPVBQESA-N 0 1 278.377 3.017 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Cl)cc1[O-] ZINC000846190558 636156803 /nfs/dbraw/zinc/15/68/03/636156803.db2.gz REUSAFYTNQJSSM-FUPATZSFSA-N 0 1 267.756 3.016 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000848560697 636606386 /nfs/dbraw/zinc/60/63/86/636606386.db2.gz QCYGMMHBOZUHQD-HZPDHXFCSA-N 0 1 295.810 3.483 20 10 CGCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)C(=O)OC(C)(C)C ZINC000848566355 636609697 /nfs/dbraw/zinc/60/96/97/636609697.db2.gz VVQMCOIIMPDGRP-SNVBAGLBSA-N 0 1 299.798 3.113 20 10 CGCDMN CCc1cccc(CN(C)Cc2cnc(C)s2)c1O ZINC000848882374 636671745 /nfs/dbraw/zinc/67/17/45/636671745.db2.gz NQPRIVSZPQPOAM-UHFFFAOYSA-N 0 1 276.405 3.352 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850369819 637032480 /nfs/dbraw/zinc/03/24/80/637032480.db2.gz BLLNEYLRGQLRJO-HOCLYGCPSA-N 0 1 289.762 3.314 20 10 CGCDMN CSCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134907691 637049767 /nfs/dbraw/zinc/04/97/67/637049767.db2.gz AOPLELIJBVAWRB-MRVPVSSYSA-N 0 1 290.226 3.168 20 10 CGCDMN CC[C@@H]([NH2+][C@H](CO)C1CCC1)c1cc(Cl)ccc1[O-] ZINC000850487323 637088220 /nfs/dbraw/zinc/08/82/20/637088220.db2.gz HNEYJWJCDZYYLG-ZIAGYGMSSA-N 0 1 283.799 3.247 20 10 CGCDMN C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cc(Cl)ccc1[O-] ZINC000850526825 637105398 /nfs/dbraw/zinc/10/53/98/637105398.db2.gz XEDFNEQUBXHOOG-JQWIXIFHSA-N 0 1 281.783 3.408 20 10 CGCDMN Cc1ccc([C@H](C)N[C@@H](C)c2nccn2C)c(O)c1C ZINC000850571803 637128580 /nfs/dbraw/zinc/12/85/80/637128580.db2.gz AZXNAMDIIRGEIP-STQMWFEESA-N 0 1 273.380 3.154 20 10 CGCDMN CN(C)c1ccc(CN(Cc2cccc(F)n2)C2CC2)cc1 ZINC000851732612 637482362 /nfs/dbraw/zinc/48/23/62/637482362.db2.gz VEFIGBKQJBFZTH-UHFFFAOYSA-N 0 1 299.393 3.451 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886289433 637487123 /nfs/dbraw/zinc/48/71/23/637487123.db2.gz VMOHPROOVGPBCT-ZDUSSCGKSA-N 0 1 281.783 3.094 20 10 CGCDMN Oc1ccccc1CN(CCOC(F)F)Cc1ccco1 ZINC000851840174 637518588 /nfs/dbraw/zinc/51/85/88/637518588.db2.gz BBTNVKGBOKSPBM-UHFFFAOYSA-N 0 1 297.301 3.227 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C)CC2)c1[O-] ZINC000110806764 637703495 /nfs/dbraw/zinc/70/34/95/637703495.db2.gz VVSNNLHECGCTCD-NSHDSACASA-N 0 1 279.355 3.356 20 10 CGCDMN CC[C@H](NCc1ccc2c(c1)CCO2)c1cccc(OC)n1 ZINC000924901619 638422411 /nfs/dbraw/zinc/42/24/11/638422411.db2.gz SHCVKCHRQDPJMC-HNNXBMFYSA-N 0 1 298.386 3.266 20 10 CGCDMN CN(C)c1cc(F)c(CNCc2cccs2)cc1F ZINC000858086975 638623537 /nfs/dbraw/zinc/62/35/37/638623537.db2.gz HMCJKEGWMLSYTQ-UHFFFAOYSA-N 0 1 282.359 3.382 20 10 CGCDMN CC(C)CC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000858484838 638736191 /nfs/dbraw/zinc/73/61/91/638736191.db2.gz CPJKWDXRXHISHQ-DGCLKSJQSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000858547736 638759538 /nfs/dbraw/zinc/75/95/38/638759538.db2.gz OAZWZLSJYTXLTN-TURKWSHLSA-N 0 1 281.783 3.264 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCOc1ccccc1 ZINC000042895468 639922748 /nfs/dbraw/zinc/92/27/48/639922748.db2.gz FHBQVBXNVHOFCD-UHFFFAOYSA-N 0 1 277.751 3.214 20 10 CGCDMN CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000155473596 639936711 /nfs/dbraw/zinc/93/67/11/639936711.db2.gz NLJBPHOPPRQDNI-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000155473596 639936724 /nfs/dbraw/zinc/93/67/24/639936724.db2.gz NLJBPHOPPRQDNI-CYBMUJFWSA-N 0 1 269.772 3.047 20 10 CGCDMN Cc1cc2nc(-c3ccc(O)c(O)c3)[nH]c2cc1F ZINC001250464966 805632811 /nfs/dbraw/zinc/63/28/11/805632811.db2.gz QFLUTANGRKMKCM-UHFFFAOYSA-N 0 1 258.252 3.089 20 10 CGCDMN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(F)F ZINC000389936319 799467147 /nfs/dbraw/zinc/46/71/47/799467147.db2.gz JHBBZQIMHFCZRB-YFKPBYRVSA-N 0 1 270.106 3.442 20 10 CGCDMN CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000403811912 799572032 /nfs/dbraw/zinc/57/20/32/799572032.db2.gz JWRYRMKVJCOPBO-GFCCVEGCSA-N 0 1 283.799 3.435 20 10 CGCDMN CO[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)C1CCCC1 ZINC000692951720 799804577 /nfs/dbraw/zinc/80/45/77/799804577.db2.gz PDESUSFYQPWFDQ-HNNXBMFYSA-N 0 1 283.799 3.340 20 10 CGCDMN C[C@@H](CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])N(C)C ZINC000700603350 799875216 /nfs/dbraw/zinc/87/52/16/799875216.db2.gz HPTSFUKOEKVQJN-VIFPVBQESA-N 0 1 291.222 3.129 20 10 CGCDMN C[C@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])O1 ZINC000701511395 799889587 /nfs/dbraw/zinc/88/95/87/799889587.db2.gz HIOYYOAZFVJSLM-GXFFZTMASA-N 0 1 269.772 3.093 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722319452 800313045 /nfs/dbraw/zinc/31/30/45/800313045.db2.gz JGHQKGKQWINXQN-HIFRSBDPSA-N 0 1 281.783 3.093 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722320326 800313805 /nfs/dbraw/zinc/31/38/05/800313805.db2.gz LOYHYUCKSYQJCX-XHDPSFHLSA-N 0 1 281.783 3.093 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC[C@@H](C)O2)c(Cl)c1 ZINC000850379419 800517778 /nfs/dbraw/zinc/51/77/78/800517778.db2.gz OEEYPMKYEKNGLM-VXGBXAGGSA-N 0 1 283.799 3.401 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](OC(C)C)C2)cc1Cl ZINC001118577825 802586063 /nfs/dbraw/zinc/58/60/63/802586063.db2.gz LKQIPKPLTJDWDD-CYBMUJFWSA-N 0 1 283.799 3.353 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](OC(C)C)C2)cc1Cl ZINC001118577825 802586067 /nfs/dbraw/zinc/58/60/67/802586067.db2.gz LKQIPKPLTJDWDD-CYBMUJFWSA-N 0 1 283.799 3.353 20 10 CGCDMN COCCC1(C)CN(Cc2cc(Cl)c(C)cc2O)C1 ZINC001118578078 802586125 /nfs/dbraw/zinc/58/61/25/802586125.db2.gz PNQRDFGVADCFOW-UHFFFAOYSA-N 0 1 283.799 3.212 20 10 CGCDMN C[N@@H+](CCc1cccs1)Cc1c([O-])cccc1F ZINC001137837647 803781555 /nfs/dbraw/zinc/78/15/55/803781555.db2.gz POHPPFXCGPNVSD-UHFFFAOYSA-N 0 1 265.353 3.267 20 10 CGCDMN CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC001138124911 803862948 /nfs/dbraw/zinc/86/29/48/803862948.db2.gz DEMOJYOOQVSBHV-PBHICJAKSA-N 0 1 293.382 3.170 20 10 CGCDMN C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1F ZINC001138215376 803875209 /nfs/dbraw/zinc/87/52/09/803875209.db2.gz BRABGHVFKHJZFD-PBHICJAKSA-N 0 1 276.399 3.467 20 10 CGCDMN Cc1c(CN2CCOC(C)(C)C2)c2ccccc2n1C ZINC001138252546 803879138 /nfs/dbraw/zinc/87/91/38/803879138.db2.gz KWXAGNAJORSZOU-UHFFFAOYSA-N 0 1 272.392 3.098 20 10 CGCDMN CN(Cc1ccccc1O)Cc1ccc(O)cc1Cl ZINC001140083888 804373536 /nfs/dbraw/zinc/37/35/36/804373536.db2.gz RMAAWVKMVCNDTP-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001140337749 804418556 /nfs/dbraw/zinc/41/85/56/804418556.db2.gz CGORNQQGZJUWIJ-OAHLLOKOSA-N 0 1 281.783 3.191 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001140337749 804418560 /nfs/dbraw/zinc/41/85/60/804418560.db2.gz CGORNQQGZJUWIJ-OAHLLOKOSA-N 0 1 281.783 3.191 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001140338041 804418664 /nfs/dbraw/zinc/41/86/64/804418664.db2.gz SLOBJPSUDKNRGR-NHYWBVRUSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001140338041 804418668 /nfs/dbraw/zinc/41/86/68/804418668.db2.gz SLOBJPSUDKNRGR-NHYWBVRUSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001140463080 804440737 /nfs/dbraw/zinc/44/07/37/804440737.db2.gz RWHSMNPTVDSVSP-IAQYHMDHSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001140463080 804440741 /nfs/dbraw/zinc/44/07/41/804440741.db2.gz RWHSMNPTVDSVSP-IAQYHMDHSA-N 0 1 281.783 3.047 20 10 CGCDMN Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001140461176 804440931 /nfs/dbraw/zinc/44/09/31/804440931.db2.gz 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[O-]c1ccc(F)c(Cl)c1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001237127636 819673831 /nfs/dbraw/zinc/67/38/31/819673831.db2.gz DOQVXXALBRIOFJ-GZMMTYOYSA-N 0 1 255.720 3.169 20 10 CGCDMN Cc1cccc(O)c1C[N@H+]1CCc2ccccc2C1 ZINC001237482587 819760089 /nfs/dbraw/zinc/76/00/89/819760089.db2.gz MMGFAKHEOHUUFA-UHFFFAOYSA-N 0 1 253.345 3.259 20 10 CGCDMN Cc1cccc(O)c1CN1Cc2ccc(F)cc2C1 ZINC001237487508 819762199 /nfs/dbraw/zinc/76/21/99/819762199.db2.gz JLMNOSKXOVEMKQ-UHFFFAOYSA-N 0 1 257.308 3.356 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CC(F)(F)C[C@H]1CF ZINC001237616337 819787226 /nfs/dbraw/zinc/78/72/26/819787226.db2.gz BMBHRLJJTPUQAS-VIFPVBQESA-N 0 1 297.679 3.364 20 10 CGCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCc2cnccc2C1 ZINC001237807309 819847306 /nfs/dbraw/zinc/84/73/06/819847306.db2.gz HTWBWASERQNMDG-UHFFFAOYSA-N 0 1 292.741 3.138 20 10 CGCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCc2cnccc2C1 ZINC001237807309 819847310 /nfs/dbraw/zinc/84/73/10/819847310.db2.gz HTWBWASERQNMDG-UHFFFAOYSA-N 0 1 292.741 3.138 20 10 CGCDMN C[N@@H+](Cc1cncs1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237805957 819848525 /nfs/dbraw/zinc/84/85/25/819848525.db2.gz PRTCRQCUYCYOQD-UHFFFAOYSA-N 0 1 286.759 3.273 20 10 CGCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237812458 819848667 /nfs/dbraw/zinc/84/86/67/819848667.db2.gz GUKZKQXHRXVSBI-VIRWGQHYSA-N 0 1 273.710 3.117 20 10 CGCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237948266 819893492 /nfs/dbraw/zinc/89/34/92/819893492.db2.gz BRSCQYTYONXLDJ-WCBMZHEXSA-N 0 1 255.720 3.169 20 10 CGCDMN Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1O ZINC001238061177 819920405 /nfs/dbraw/zinc/92/04/05/819920405.db2.gz FCWAHPJRJRMVNE-ZYHUDNBSSA-N 0 1 251.345 3.460 20 10 CGCDMN Cc1csc([C@H](C)NCc2c(C)cccc2O)n1 ZINC001355244668 937131941 /nfs/dbraw/zinc/13/19/41/937131941.db2.gz SYUDAPHNEPKSAK-NSHDSACASA-N 0 1 262.378 3.316 20 10 CGCDMN CCOC[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])C(C)C ZINC001560802493 937236729 /nfs/dbraw/zinc/23/67/29/937236729.db2.gz WMKASUFSUVBLNZ-ZDUSSCGKSA-N 0 1 271.788 3.196 20 10 CGCDMN COc1cccc(CNCc2ccc(C)nc2Cl)c1O ZINC000883292623 928430415 /nfs/dbraw/zinc/43/04/15/928430415.db2.gz UJHWINSEZNWRSY-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN CC(C)c1csc(NC(=O)c2c(F)ccc(O)c2O)n1 ZINC001457633079 937444427 /nfs/dbraw/zinc/44/44/27/937444427.db2.gz PXPCAMVQJLZLMS-UHFFFAOYSA-N 0 1 296.323 3.069 20 10 CGCDMN CC(C)c1ccc(O)c(CN2CCO[C@H](C)[C@H]2C)c1 ZINC001461959988 937608943 /nfs/dbraw/zinc/60/89/43/937608943.db2.gz LYIJTYDPVMULHW-CHWSQXEVSA-N 0 1 263.381 3.125 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC001462387434 937637238 /nfs/dbraw/zinc/63/72/38/937637238.db2.gz PPQVIXQHILDKAE-GJZGRUSLSA-N 0 1 294.826 3.152 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC001462387432 937637274 /nfs/dbraw/zinc/63/72/74/937637274.db2.gz PPQVIXQHILDKAE-CABCVRRESA-N 0 1 294.826 3.152 20 10 CGCDMN C[N@@H+](CCOc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001308559327 933133195 /nfs/dbraw/zinc/13/31/95/933133195.db2.gz BLTHSDPRYBBEIY-UHFFFAOYSA-N 0 1 293.313 3.181 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC001474390349 937856509 /nfs/dbraw/zinc/85/65/09/937856509.db2.gz CKNQZMWSXNGCQI-CQSZACIVSA-N 0 1 295.810 3.294 20 10 CGCDMN CC(C)SCC[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001560818619 938277436 /nfs/dbraw/zinc/27/74/36/938277436.db2.gz PNXAKPYPAFXMLA-UHFFFAOYSA-N 0 1 259.802 3.277 20 10 CGCDMN CNc1ccccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001560913907 938283466 /nfs/dbraw/zinc/28/34/66/938283466.db2.gz UIIJSVBDMIASJU-UHFFFAOYSA-N 0 1 276.767 3.377 20 10 CGCDMN C[N@@H+](Cc1ccccc1O)Cc1cc(F)cc(F)c1[O-] ZINC001308623868 958797634 /nfs/dbraw/zinc/79/76/34/958797634.db2.gz IGGBUYSTMHVQTB-UHFFFAOYSA-N 0 1 279.286 3.008 20 10 CGCDMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccccc1O ZINC001595362818 980774987 /nfs/dbraw/zinc/77/49/87/980774987.db2.gz PWLKQVSVBAJOGH-INIZCTEOSA-N 0 1 299.370 3.430 20 10 CGCDMN C[C@H](c1ccccc1)[N@@H+](CCC(=O)[O-])Cc1ccccc1O ZINC001593709677 996206100 /nfs/dbraw/zinc/20/61/00/996206100.db2.gz AVDHYGTXMGFORE-CQSZACIVSA-N 0 1 299.370 3.430 20 10 CGCDMN CC[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000019433529 368753154 /nfs/dbraw/zinc/75/31/54/368753154.db2.gz WVCXEGSQPQDSSG-SNVBAGLBSA-N 0 1 258.159 3.215 20 10 CGCDMN CCOc1ccc(O)c(CNC(C)(C)c2nccs2)c1 ZINC000116381334 370558517 /nfs/dbraw/zinc/55/85/17/370558517.db2.gz YPNDGAUTOAMEBG-UHFFFAOYSA-N 0 1 292.404 3.272 20 10 CGCDMN C[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(F)c(F)c1O ZINC000287278308 371633393 /nfs/dbraw/zinc/63/33/93/371633393.db2.gz JKSNXBGVHGVUID-RITPCOANSA-N 0 1 269.213 3.272 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000294745498 372670138 /nfs/dbraw/zinc/67/01/38/372670138.db2.gz RBJIMLVPYSYPCG-DZGCQCFKSA-N 0 1 299.773 3.328 20 10 CGCDMN CC[C@@H](NCc1nnc(C(C)C)[nH]1)c1ccc(C)cc1O ZINC000296450787 373138074 /nfs/dbraw/zinc/13/80/74/373138074.db2.gz MTONZLBTORKGMO-CYBMUJFWSA-N 0 1 288.395 3.183 20 10 CGCDMN CSC[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000180535054 374018180 /nfs/dbraw/zinc/01/81/80/374018180.db2.gz NXWJSNRAMUQWKO-LLVKDONJSA-N 0 1 271.813 3.373 20 10 CGCDMN CC[C@@](C)(NCc1cc(F)ccc1O)c1nccs1 ZINC000180772423 374044577 /nfs/dbraw/zinc/04/45/77/374044577.db2.gz XXFJOJFNLDIXTG-CQSZACIVSA-N 0 1 280.368 3.403 20 10 CGCDMN C[C@@H]([NH2+]CCCN(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192593151 375767712 /nfs/dbraw/zinc/76/77/12/375767712.db2.gz YXOKSTZDQNYKAP-SECBINFHSA-N 0 1 291.222 3.301 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245694574 376882553 /nfs/dbraw/zinc/88/25/53/376882553.db2.gz BZOSRLXSFJAAGB-XHDPSFHLSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245694574 376882563 /nfs/dbraw/zinc/88/25/63/376882563.db2.gz BZOSRLXSFJAAGB-XHDPSFHLSA-N 0 1 281.783 3.047 20 10 CGCDMN COc1cccc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000269641911 378247476 /nfs/dbraw/zinc/24/74/76/378247476.db2.gz OFCFWISZHMWKQU-UHFFFAOYSA-N 0 1 257.333 3.033 20 10 CGCDMN Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(O)c1C ZINC000273384897 378743831 /nfs/dbraw/zinc/74/38/31/378743831.db2.gz JEPAWIQPBSGMAS-AWEZNQCLSA-N 0 1 288.435 3.286 20 10 CGCDMN C[N@@H+](CCc1ccccn1)Cc1c(O)cccc1Cl ZINC000273381452 378744208 /nfs/dbraw/zinc/74/42/08/378744208.db2.gz HUKRFYKAGQJMLK-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN C[N@H+](CCc1ccccn1)Cc1c([O-])cccc1Cl ZINC000273381452 378744211 /nfs/dbraw/zinc/74/42/11/378744211.db2.gz HUKRFYKAGQJMLK-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])o1 ZINC000273592905 378756467 /nfs/dbraw/zinc/75/64/67/378756467.db2.gz PSJUTNCPQUUIKW-IINYFYTJSA-N 0 1 295.766 3.331 20 10 CGCDMN Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000362048917 381882674 /nfs/dbraw/zinc/88/26/74/381882674.db2.gz XXKMBXCNGFJUJY-MRXNPFEDSA-N 0 1 285.391 3.080 20 10 CGCDMN Oc1ccccc1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000072952725 285397620 /nfs/dbraw/zinc/39/76/20/285397620.db2.gz WBVQIYFHVYVXIU-MRXNPFEDSA-N 0 1 287.359 3.166 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])[C@@H](O)C(F)F ZINC000296386479 392558661 /nfs/dbraw/zinc/55/86/61/392558661.db2.gz JWSTYOKQIJHBNE-INNHCVQGSA-N 0 1 293.741 3.101 20 10 CGCDMN COCC[C@@H](NCc1ccc(N(C)C)cc1)c1ccco1 ZINC000272519334 393263441 /nfs/dbraw/zinc/26/34/41/393263441.db2.gz ITKSPDCCXHCZJJ-MRXNPFEDSA-N 0 1 288.391 3.213 20 10 CGCDMN CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185114031 262042155 /nfs/dbraw/zinc/04/21/55/262042155.db2.gz VXEZPAQMUJZVEV-PWSUYJOCSA-N 0 1 271.788 3.103 20 10 CGCDMN CC[C@H](CCO)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185676905 262065679 /nfs/dbraw/zinc/06/56/79/262065679.db2.gz PQEOSTHQNQQWPC-GHMZBOCLSA-N 0 1 271.788 3.105 20 10 CGCDMN C[C@@H](N[C@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186546838 262098506 /nfs/dbraw/zinc/09/85/06/262098506.db2.gz CVZCASQXGULVMS-CZUORRHYSA-N 0 1 288.391 3.120 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc2ccccc2c1[O-] ZINC000185142110 262303343 /nfs/dbraw/zinc/30/33/43/262303343.db2.gz XTIAGWVGASWRGY-HIFRSBDPSA-N 0 1 284.403 3.290 20 10 CGCDMN Cn1cccc1[C@H]1CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000272273984 263003070 /nfs/dbraw/zinc/00/30/70/263003070.db2.gz LUKGSCJPQLMBPF-OAHLLOKOSA-N 0 1 274.339 3.207 20 10 CGCDMN CC(C)N1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187766759 279481422 /nfs/dbraw/zinc/48/14/22/279481422.db2.gz WLEXVHHDISOCRB-NSHDSACASA-N 0 1 298.377 3.194 20 10 CGCDMN CC[C@@H](NCc1nccs1)c1ccc(N(C)C)cc1 ZINC000128174811 522895565 /nfs/dbraw/zinc/89/55/65/522895565.db2.gz ZUTZWAUQULTMEQ-CQSZACIVSA-N 0 1 275.421 3.450 20 10 CGCDMN CCc1noc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000292832185 522901926 /nfs/dbraw/zinc/90/19/26/522901926.db2.gz UMLOPEPWIBZAEX-UHFFFAOYSA-N 0 1 288.134 3.257 20 10 CGCDMN COc1ccc(N(C)Cc2[nH]ncc2C)cc1Cl ZINC000290962350 524356176 /nfs/dbraw/zinc/35/61/76/524356176.db2.gz WLHPPBWFZXZDMG-UHFFFAOYSA-N 0 1 265.744 3.017 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCC1(F)F ZINC000291564672 525005358 /nfs/dbraw/zinc/00/53/58/525005358.db2.gz NIHQPZHRMSTTOP-SECBINFHSA-N 0 1 259.271 3.008 20 10 CGCDMN C[C@@]1(CCCO)CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000290540263 525825743 /nfs/dbraw/zinc/82/57/43/525825743.db2.gz RGLGWBRKJACPNU-HNNXBMFYSA-N 0 1 283.799 3.173 20 10 CGCDMN C[C@@]1(CCCO)CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000290540263 525825757 /nfs/dbraw/zinc/82/57/57/525825757.db2.gz RGLGWBRKJACPNU-HNNXBMFYSA-N 0 1 283.799 3.173 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000291664345 526328583 /nfs/dbraw/zinc/32/85/83/526328583.db2.gz VPSCSPAHDZVVMJ-HNNXBMFYSA-N 0 1 261.340 3.296 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCCSC1 ZINC000129236016 526365605 /nfs/dbraw/zinc/36/56/05/526365605.db2.gz IGAYLENHFREAND-VIFPVBQESA-N 0 1 257.786 3.031 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000728562187 571811954 /nfs/dbraw/zinc/81/19/54/571811954.db2.gz HTRUTFFLPSCHES-MRXNPFEDSA-N 0 1 268.360 3.315 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000728562187 571811958 /nfs/dbraw/zinc/81/19/58/571811958.db2.gz HTRUTFFLPSCHES-MRXNPFEDSA-N 0 1 268.360 3.315 20 10 CGCDMN CC[C@@H](C)C[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000732184087 572451894 /nfs/dbraw/zinc/45/18/94/572451894.db2.gz QOWLJCOGUXMXML-GFCCVEGCSA-N 0 1 258.365 3.418 20 10 CGCDMN CC[C@@H](C)C[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000732184087 572451897 /nfs/dbraw/zinc/45/18/97/572451897.db2.gz QOWLJCOGUXMXML-GFCCVEGCSA-N 0 1 258.365 3.418 20 10 CGCDMN C[C@H]1CC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000309046368 618617502 /nfs/dbraw/zinc/61/75/02/618617502.db2.gz NKRLLAVJLWJUDJ-KWQFWETISA-N 0 1 270.170 3.043 20 10 CGCDMN CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000134984500 618739113 /nfs/dbraw/zinc/73/91/13/618739113.db2.gz BMAVMNBCBZTCGL-LLVKDONJSA-N 0 1 281.783 3.480 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000134984500 618739114 /nfs/dbraw/zinc/73/91/14/618739114.db2.gz BMAVMNBCBZTCGL-LLVKDONJSA-N 0 1 281.783 3.480 20 10 CGCDMN COc1cc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)ccn1 ZINC000840873403 618739826 /nfs/dbraw/zinc/73/98/26/618739826.db2.gz ANVZXVVKVLTXSG-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN Cc1cccc2nc(CN[C@H](C)c3cc(F)ccc3O)cn21 ZINC000185412876 619061103 /nfs/dbraw/zinc/06/11/03/619061103.db2.gz GHQSMGIAGYIRMK-GFCCVEGCSA-N 0 1 299.349 3.338 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](O)CC(C)C)c1cc(Cl)ccc1[O-] ZINC000775498254 619074976 /nfs/dbraw/zinc/07/49/76/619074976.db2.gz ZNSDACMJUQAJMU-TZMCWYRMSA-N 0 1 285.815 3.493 20 10 CGCDMN Cc1cccc(CN(C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840916724 619132364 /nfs/dbraw/zinc/13/23/64/619132364.db2.gz DUYVFQBHARUXNK-UHFFFAOYSA-N 0 1 283.419 3.396 20 10 CGCDMN Cc1cnc(CC[N@@H+](C)Cc2cc(Cl)ccc2[O-])s1 ZINC000093807217 619217859 /nfs/dbraw/zinc/21/78/59/619217859.db2.gz PVWYJGYVCAJMMJ-UHFFFAOYSA-N 0 1 296.823 3.485 20 10 CGCDMN Cc1cnc(CC[N@H+](C)Cc2cc(Cl)ccc2[O-])s1 ZINC000093807217 619217863 /nfs/dbraw/zinc/21/78/63/619217863.db2.gz PVWYJGYVCAJMMJ-UHFFFAOYSA-N 0 1 296.823 3.485 20 10 CGCDMN Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000893910250 619331039 /nfs/dbraw/zinc/33/10/39/619331039.db2.gz ZGAUOBYQPREBIX-OAHLLOKOSA-N 0 1 292.329 3.346 20 10 CGCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C(C1CC1)C1CC1 ZINC000893983392 619346553 /nfs/dbraw/zinc/34/65/53/619346553.db2.gz BGAYBSGQGGJLFP-UHFFFAOYSA-N 0 1 267.319 3.291 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895844426 619893290 /nfs/dbraw/zinc/89/32/90/619893290.db2.gz FOTGYTBAMMZKMT-BONVTDFDSA-N 0 1 299.773 3.186 20 10 CGCDMN Cc1cnc(CN[C@H](C)c2cc(C)ccc2O)s1 ZINC000185568962 625386342 /nfs/dbraw/zinc/38/63/42/625386342.db2.gz FNWQEXRRWMOTEU-LLVKDONJSA-N 0 1 262.378 3.316 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(Cl)cc1[O-] ZINC000841751620 620375031 /nfs/dbraw/zinc/37/50/31/620375031.db2.gz IFWBSPVWRXPDPU-ZWNOBZJWSA-N 0 1 283.799 3.247 20 10 CGCDMN Oc1ccccc1CNCc1c(F)cccc1Cl ZINC000083482932 625604233 /nfs/dbraw/zinc/60/42/33/625604233.db2.gz GOVLUZXVKHATNY-UHFFFAOYSA-N 0 1 265.715 3.475 20 10 CGCDMN CCc1cnc(CNCc2cc(Cl)ccc2O)s1 ZINC000230706961 623265100 /nfs/dbraw/zinc/26/51/00/623265100.db2.gz OVIQFKHHVXGXCO-UHFFFAOYSA-N 0 1 282.796 3.354 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)CC[C@H]2C)c1O ZINC000088706193 623487148 /nfs/dbraw/zinc/48/71/48/623487148.db2.gz YLYXDCHCYZEDEI-GHMZBOCLSA-N 0 1 279.355 3.354 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)CC[C@H]2C)c1[O-] ZINC000088706193 623487155 /nfs/dbraw/zinc/48/71/55/623487155.db2.gz YLYXDCHCYZEDEI-GHMZBOCLSA-N 0 1 279.355 3.354 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)CC[C@H]2C)c1[O-] ZINC000088706193 623487160 /nfs/dbraw/zinc/48/71/60/623487160.db2.gz YLYXDCHCYZEDEI-GHMZBOCLSA-N 0 1 279.355 3.354 20 10 CGCDMN Cc1occc1CNCc1ccc2c(c1)CCCO2 ZINC000921580996 625691371 /nfs/dbraw/zinc/69/13/71/625691371.db2.gz AAUQFAADOVQYQI-UHFFFAOYSA-N 0 1 257.333 3.203 20 10 CGCDMN Oc1ccc(F)cc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000180206008 624728421 /nfs/dbraw/zinc/72/84/21/624728421.db2.gz FXAKSAAZWQIZCU-DZGCQCFKSA-N 0 1 281.396 3.391 20 10 CGCDMN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccns1 ZINC000922298420 625994108 /nfs/dbraw/zinc/99/41/08/625994108.db2.gz RLPBEBSCVDLKAQ-LLVKDONJSA-N 0 1 274.389 3.319 20 10 CGCDMN Cc1cc(O)c(CN[C@H](c2ncccn2)C2CC2)cc1C ZINC000922578606 626014572 /nfs/dbraw/zinc/01/45/72/626014572.db2.gz BQTFBQFOCRLGAZ-INIZCTEOSA-N 0 1 283.375 3.040 20 10 CGCDMN CCC1(C)CN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000839143012 626322857 /nfs/dbraw/zinc/32/28/57/626322857.db2.gz NINYGYUDXLKGTE-UHFFFAOYSA-N 0 1 269.772 3.286 20 10 CGCDMN C[C@@H]([NH2+]CCCCn1ccnc1)c1cc(Cl)ccc1[O-] ZINC000756459558 626707125 /nfs/dbraw/zinc/70/71/25/626707125.db2.gz OWHZNZGEJGFHFL-GFCCVEGCSA-N 0 1 293.798 3.373 20 10 CGCDMN CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756497983 626709931 /nfs/dbraw/zinc/70/99/31/626709931.db2.gz SAMMNBDNXGBTDM-CMPLNLGQSA-N 0 1 271.788 3.103 20 10 CGCDMN CCc1cc(CN[C@H](C)c2ccc(C)cc2O)on1 ZINC000756611497 626720303 /nfs/dbraw/zinc/72/03/03/626720303.db2.gz WJYFOYCOBMHJTQ-LLVKDONJSA-N 0 1 260.337 3.102 20 10 CGCDMN C[C@H]([NH2+][C@H](CCO)C1CC1)c1ccc2ccccc2c1[O-] ZINC000756741224 626729477 /nfs/dbraw/zinc/72/94/77/626729477.db2.gz WENKATMBRZPDJN-YVEFUNNKSA-N 0 1 285.387 3.357 20 10 CGCDMN COc1cccc(O)c1CN(C)[C@@H](C)c1ccco1 ZINC000768263812 627471456 /nfs/dbraw/zinc/47/14/56/627471456.db2.gz WEIBIZJQAFJFDS-NSHDSACASA-N 0 1 261.321 3.187 20 10 CGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000769328329 627541986 /nfs/dbraw/zinc/54/19/86/627541986.db2.gz FZLGUFKGKAIXEQ-GFCCVEGCSA-N 0 1 296.754 3.328 20 10 CGCDMN CC1=CC[N@@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000769445641 627552745 /nfs/dbraw/zinc/55/27/45/627552745.db2.gz JGOYUTLOQUTELZ-UHFFFAOYSA-N 0 1 282.181 3.307 20 10 CGCDMN CC[C@]1(C)CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769446307 627553057 /nfs/dbraw/zinc/55/30/57/627553057.db2.gz LOHWFIOJMFTJIS-MRXNPFEDSA-N 0 1 263.381 3.413 20 10 CGCDMN CC[C@]1(C)CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769446307 627553062 /nfs/dbraw/zinc/55/30/62/627553062.db2.gz LOHWFIOJMFTJIS-MRXNPFEDSA-N 0 1 263.381 3.413 20 10 CGCDMN CC1(C)[C@@H]2C[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@@H]21 ZINC000769487084 627559472 /nfs/dbraw/zinc/55/94/72/627559472.db2.gz HLJICQHATWCQDA-PHIMTYICSA-N 0 1 296.754 3.042 20 10 CGCDMN CC(C)OC1CC([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000769937134 627591018 /nfs/dbraw/zinc/59/10/18/627591018.db2.gz NASUEGLDKFRULA-UHFFFAOYSA-N 0 1 269.772 3.091 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000770285296 627612117 /nfs/dbraw/zinc/61/21/17/627612117.db2.gz FPQDERKVJJMZTA-SMDDNHRTSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000770285296 627612118 /nfs/dbraw/zinc/61/21/18/627612118.db2.gz FPQDERKVJJMZTA-SMDDNHRTSA-N 0 1 281.783 3.047 20 10 CGCDMN CCN(C)c1ccc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)cc1 ZINC000773887222 627925181 /nfs/dbraw/zinc/92/51/81/627925181.db2.gz DZPRHWLNYVIPNJ-SOUVJXGZSA-N 0 1 276.424 3.140 20 10 CGCDMN COc1cccc(CN(C)Cc2cc(C)ccc2F)c1O ZINC000775168273 628068949 /nfs/dbraw/zinc/06/89/49/628068949.db2.gz PLAKVZIRKWNSLL-UHFFFAOYSA-N 0 1 289.350 3.480 20 10 CGCDMN CC[C@H]([NH2+]C[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775489760 628100085 /nfs/dbraw/zinc/10/00/85/628100085.db2.gz RUYUSUHKCJGPJO-MFKMUULPSA-N 0 1 269.772 3.123 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775489761 628100593 /nfs/dbraw/zinc/10/05/93/628100593.db2.gz RUYUSUHKCJGPJO-ZWNOBZJWSA-N 0 1 269.772 3.123 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCCO1 ZINC000775664571 628121956 /nfs/dbraw/zinc/12/19/56/628121956.db2.gz YQUBUFNHTMTNLG-LBPRGKRZSA-N 0 1 287.762 3.186 20 10 CGCDMN COc1ccnc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775832726 628140462 /nfs/dbraw/zinc/14/04/62/628140462.db2.gz AUTAJZSRJVBKJV-CYBMUJFWSA-N 0 1 285.391 3.007 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000776251709 628184702 /nfs/dbraw/zinc/18/47/02/628184702.db2.gz UUUCWKXDJLQCJT-GFCCVEGCSA-N 0 1 295.745 3.075 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1nccnc1C ZINC000783247431 628694262 /nfs/dbraw/zinc/69/42/62/628694262.db2.gz WXFBXLKWXLWOKP-AWEZNQCLSA-N 0 1 284.407 3.010 20 10 CGCDMN COc1ccncc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000805750453 628742146 /nfs/dbraw/zinc/74/21/46/628742146.db2.gz LRLUYAYHWGLQNC-CYBMUJFWSA-N 0 1 285.391 3.007 20 10 CGCDMN CC[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000788984254 629094067 /nfs/dbraw/zinc/09/40/67/629094067.db2.gz JGDNANWNDSYISK-SUHUHFCYSA-N 0 1 283.799 3.247 20 10 CGCDMN CCc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789941389 629175904 /nfs/dbraw/zinc/17/59/04/629175904.db2.gz LGDDYYDGVNKKHT-UHFFFAOYSA-N 0 1 275.279 3.052 20 10 CGCDMN CSc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000789946900 629175908 /nfs/dbraw/zinc/17/59/08/629175908.db2.gz NOUNFLCMURAEHO-UHFFFAOYSA-N 0 1 293.319 3.211 20 10 CGCDMN CC[N@H+](Cc1cc(F)c(N(C)C)cc1F)C[C@@H]1CCCO1 ZINC000862231248 629327311 /nfs/dbraw/zinc/32/73/11/629327311.db2.gz FWSJHSLBEVZDBK-ZDUSSCGKSA-N 0 1 298.377 3.032 20 10 CGCDMN CCN(Cc1cc(F)c(N(C)C)cc1F)C[C@@H]1CCCO1 ZINC000862231248 629327315 /nfs/dbraw/zinc/32/73/15/629327315.db2.gz FWSJHSLBEVZDBK-ZDUSSCGKSA-N 0 1 298.377 3.032 20 10 CGCDMN CO[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC[C@@H]1C ZINC000792180389 629345962 /nfs/dbraw/zinc/34/59/62/629345962.db2.gz QZTPCWAXEPSXOM-ZANVPECISA-N 0 1 287.762 3.042 20 10 CGCDMN [O-]c1c(C[NH2+]CC[C@H]2CCCOC2)ccc2ccccc21 ZINC000862434388 629371756 /nfs/dbraw/zinc/37/17/56/629371756.db2.gz YTVTUZHMGTXGNR-CQSZACIVSA-N 0 1 285.387 3.452 20 10 CGCDMN CCC(F)(F)CNCc1cc(Cl)cc(F)c1O ZINC000862489998 629388956 /nfs/dbraw/zinc/38/89/56/629388956.db2.gz VETMAGJZXRBGTR-UHFFFAOYSA-N 0 1 267.678 3.320 20 10 CGCDMN Cc1cc(O)c(CNc2nccn2CC(C)C)cc1C ZINC000795805390 629717441 /nfs/dbraw/zinc/71/74/41/629717441.db2.gz JDXUTIPIVHWANN-UHFFFAOYSA-N 0 1 273.380 3.474 20 10 CGCDMN CCCCN(Cc1ccccc1O)[C@H](C)c1nc(C)no1 ZINC000801596865 630346343 /nfs/dbraw/zinc/34/63/43/630346343.db2.gz RGMKFABLTTTYOV-GFCCVEGCSA-N 0 1 289.379 3.447 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)CCOC ZINC000801599201 630346844 /nfs/dbraw/zinc/34/68/44/630346844.db2.gz FGLUUEOPDKODJN-CQSZACIVSA-N 0 1 265.397 3.419 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)CCOC ZINC000801599201 630346845 /nfs/dbraw/zinc/34/68/45/630346845.db2.gz FGLUUEOPDKODJN-CQSZACIVSA-N 0 1 265.397 3.419 20 10 CGCDMN Oc1c(Cl)cc(Cl)cc1CNc1ncc(F)cn1 ZINC000808089054 630510318 /nfs/dbraw/zinc/51/03/18/630510318.db2.gz HCWVIBQSYXMSBW-UHFFFAOYSA-N 0 1 288.109 3.240 20 10 CGCDMN CC(C)[C@@H](F)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838242 630599899 /nfs/dbraw/zinc/59/98/99/630599899.db2.gz NKGZOKDGADPSAC-SNVBAGLBSA-N 0 1 294.153 3.309 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)CCO)c1[O-] ZINC000808698410 630666267 /nfs/dbraw/zinc/66/62/67/630666267.db2.gz OVTCDBVKWBWUTH-MWLCHTKSSA-N 0 1 271.788 3.023 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CCO)C(C)C)c1[O-] ZINC000808699457 630666685 /nfs/dbraw/zinc/66/66/85/630666685.db2.gz HHMHAXRECTVIHL-RISCZKNCSA-N 0 1 285.815 3.412 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](C)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237216 630856640 /nfs/dbraw/zinc/85/66/40/630856640.db2.gz ABTGFJMTCPKKHS-BXKDBHETSA-N 0 1 291.313 3.487 20 10 CGCDMN COc1cccc(CNc2cc3c(cn2)CCCC3)c1O ZINC000812782305 631308409 /nfs/dbraw/zinc/30/84/09/631308409.db2.gz VYEOIUZRXRCOHK-UHFFFAOYSA-N 0 1 284.359 3.287 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CC3CCC2CC3)c1[O-] ZINC000814652323 631617350 /nfs/dbraw/zinc/61/73/50/631617350.db2.gz WTCIQXBHIABHMD-ZEPSKSRBSA-N 0 1 291.366 3.402 20 10 CGCDMN Cc1cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1N(C)C ZINC000815099581 631716875 /nfs/dbraw/zinc/71/68/75/631716875.db2.gz LBJCEAVJMSODIK-KKUMJFAQSA-N 0 1 276.424 3.059 20 10 CGCDMN CCOc1ccc(CNc2cc3c(cn2)CCC3)c(O)c1 ZINC000815159412 631732379 /nfs/dbraw/zinc/73/23/79/631732379.db2.gz SYEAGMJFOAJQBQ-UHFFFAOYSA-N 0 1 284.359 3.287 20 10 CGCDMN Cc1cc(C)c([C@@H](C)NCc2ncccc2F)c(O)c1 ZINC000815598173 631803735 /nfs/dbraw/zinc/80/37/35/631803735.db2.gz OLRGMHOHOOOLOS-GFCCVEGCSA-N 0 1 274.339 3.394 20 10 CGCDMN C[N@@H+](Cc1ccco1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816482180 631990055 /nfs/dbraw/zinc/99/00/55/631990055.db2.gz XDSSVBZSGUIQKP-UHFFFAOYSA-N 0 1 269.703 3.410 20 10 CGCDMN COCC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816504183 631996555 /nfs/dbraw/zinc/99/65/55/631996555.db2.gz BURSHYLUFFLOSW-UHFFFAOYSA-N 0 1 285.387 3.404 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816516834 632002178 /nfs/dbraw/zinc/00/21/78/632002178.db2.gz SNPCDCLAZAKWPK-NVXWUHKLSA-N 0 1 297.398 3.404 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816516834 632002187 /nfs/dbraw/zinc/00/21/87/632002187.db2.gz SNPCDCLAZAKWPK-NVXWUHKLSA-N 0 1 297.398 3.404 20 10 CGCDMN C[N@@H+](CCOCC1CC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816517519 632002495 /nfs/dbraw/zinc/00/24/95/632002495.db2.gz SVGHEOLDFIYIRL-UHFFFAOYSA-N 0 1 287.762 3.043 20 10 CGCDMN [O-]c1c(C[NH2+]Cc2cccnc2)ccc2ccccc21 ZINC000816528918 632004155 /nfs/dbraw/zinc/00/41/55/632004155.db2.gz XXCMHRLFJRCPDN-UHFFFAOYSA-N 0 1 264.328 3.230 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@@H](O)c2ccccc2)ccc2ccccc21 ZINC000816529538 632004362 /nfs/dbraw/zinc/00/43/62/632004362.db2.gz WQPGAEKYFXJIAC-GOSISDBHSA-N 0 1 293.366 3.369 20 10 CGCDMN CCCCOCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816543040 632007655 /nfs/dbraw/zinc/00/76/55/632007655.db2.gz LSXBUBDXRMRWES-UHFFFAOYSA-N 0 1 273.376 3.452 20 10 CGCDMN [O-]c1c(C[NH2+]CCOCC2CC2)ccc2ccccc21 ZINC000816549242 632008669 /nfs/dbraw/zinc/00/86/69/632008669.db2.gz IOPSFROZOYOIFA-UHFFFAOYSA-N 0 1 271.360 3.062 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@@H]2CCCC[C@H]2O)ccc2ccccc21 ZINC000816552317 632009760 /nfs/dbraw/zinc/00/97/60/632009760.db2.gz IIMFTTJWDURZRJ-WMLDXEAASA-N 0 1 285.387 3.186 20 10 CGCDMN CO[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1(C)C ZINC000816554704 632010197 /nfs/dbraw/zinc/01/01/97/632010197.db2.gz HCODNJWVWBFXTD-HZPDHXFCSA-N 0 1 285.387 3.449 20 10 CGCDMN [O-]c1c(C[NH2+]CCCCCCO)ccc2ccccc21 ZINC000816560228 632013186 /nfs/dbraw/zinc/01/31/86/632013186.db2.gz ITZIBGCAHMHENA-UHFFFAOYSA-N 0 1 273.376 3.188 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCCSCC2)ccc2ccccc21 ZINC000816564748 632013430 /nfs/dbraw/zinc/01/34/30/632013430.db2.gz OUJWNKACRTVLSH-UHFFFAOYSA-N 0 1 273.401 3.484 20 10 CGCDMN [O-]c1c(C[N@H+]2CCCSCC2)ccc2ccccc21 ZINC000816564748 632013437 /nfs/dbraw/zinc/01/34/37/632013437.db2.gz OUJWNKACRTVLSH-UHFFFAOYSA-N 0 1 273.401 3.484 20 10 CGCDMN CC[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000817414673 632145375 /nfs/dbraw/zinc/14/53/75/632145375.db2.gz HZEZVSZKTCTXLJ-WDEREUQCSA-N 0 1 269.772 3.093 20 10 CGCDMN CC[C@@H]([NH2+]C1CCN(OC)CC1)c1cc(Cl)ccc1[O-] ZINC000817589492 632192887 /nfs/dbraw/zinc/19/28/87/632192887.db2.gz YFLFHLDQKXCGJQ-CQSZACIVSA-N 0 1 298.814 3.112 20 10 CGCDMN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1cc(Cl)ccc1[O-] ZINC000866446622 633137170 /nfs/dbraw/zinc/13/71/70/633137170.db2.gz VYYCMPKICFXTNA-XIDMARJMSA-N 0 1 293.794 3.120 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cc(Cl)ccc1[O-] ZINC000866634774 633223902 /nfs/dbraw/zinc/22/39/02/633223902.db2.gz ULEDKCQDHXGARO-GXFFZTMASA-N 0 1 291.782 3.428 20 10 CGCDMN CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824473602 633249818 /nfs/dbraw/zinc/24/98/18/633249818.db2.gz CYSVNHLSQYAHMU-CYBMUJFWSA-N 0 1 283.799 3.355 20 10 CGCDMN CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824473602 633249824 /nfs/dbraw/zinc/24/98/24/633249824.db2.gz CYSVNHLSQYAHMU-CYBMUJFWSA-N 0 1 283.799 3.355 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@H]1CCCO1 ZINC000824609990 633264361 /nfs/dbraw/zinc/26/43/61/633264361.db2.gz FTPPWESAEWVZPX-CYBMUJFWSA-N 0 1 283.799 3.355 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])C[C@H]1CCCO1 ZINC000824609990 633264363 /nfs/dbraw/zinc/26/43/63/633264363.db2.gz FTPPWESAEWVZPX-CYBMUJFWSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)cc1Cl ZINC000824829679 633297123 /nfs/dbraw/zinc/29/71/23/633297123.db2.gz KGXODJPYXQMXAU-DGCLKSJQSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cc1Cl ZINC000824829679 633297128 /nfs/dbraw/zinc/29/71/28/633297128.db2.gz KGXODJPYXQMXAU-DGCLKSJQSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccco2)cc1Cl ZINC000825058685 633323786 /nfs/dbraw/zinc/32/37/86/633323786.db2.gz IVJSMDCIHWCUKC-UHFFFAOYSA-N 0 1 265.740 3.279 20 10 CGCDMN CN(C)c1ccc(CNc2ccc3c(n2)CCC3)cc1 ZINC000825124008 633330567 /nfs/dbraw/zinc/33/05/67/633330567.db2.gz GIVBOWAEQRMCLM-UHFFFAOYSA-N 0 1 267.376 3.248 20 10 CGCDMN CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825267444 633340750 /nfs/dbraw/zinc/34/07/50/633340750.db2.gz STICWFVMOHMSIC-XHDPSFHLSA-N 0 1 285.815 3.241 20 10 CGCDMN Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])o1 ZINC000825304446 633343213 /nfs/dbraw/zinc/34/32/13/633343213.db2.gz XZALATZFSKAEEJ-AWEZNQCLSA-N 0 1 295.766 3.079 20 10 CGCDMN CCOc1cccc(C[N@H+]2CCC[C@@H](COC)CC2)c1O ZINC000825321597 633344958 /nfs/dbraw/zinc/34/49/58/633344958.db2.gz IHPWXZLOPFNMEM-CQSZACIVSA-N 0 1 293.407 3.039 20 10 CGCDMN COCCC1(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825352146 633348306 /nfs/dbraw/zinc/34/83/06/633348306.db2.gz CRAGHXXSOJSDRQ-UHFFFAOYSA-N 0 1 283.799 3.260 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCc2ccccn2)cc1Cl ZINC000825375784 633350284 /nfs/dbraw/zinc/35/02/84/633350284.db2.gz RDGSKQVSQXAUSC-UHFFFAOYSA-N 0 1 290.794 3.471 20 10 CGCDMN Cc1cncc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825390379 633351877 /nfs/dbraw/zinc/35/18/77/633351877.db2.gz FZWZDSVXUPRGDV-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)cc1Cl ZINC000825406512 633352883 /nfs/dbraw/zinc/35/28/83/633352883.db2.gz UPQVHABOBHFTRN-NWDGAFQWSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1Cl ZINC000825501502 633358310 /nfs/dbraw/zinc/35/83/10/633358310.db2.gz QMHJLVWQCONYNI-AWEZNQCLSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C(C)(C)O)cc1Cl ZINC000825501502 633358316 /nfs/dbraw/zinc/35/83/16/633358316.db2.gz QMHJLVWQCONYNI-AWEZNQCLSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc(O)c(CN[C@@H](CCO)c2ccco2)cc1Cl ZINC000825536706 633362658 /nfs/dbraw/zinc/36/26/58/633362658.db2.gz LKJUMTUVFMFOFQ-ZDUSSCGKSA-N 0 1 295.766 3.160 20 10 CGCDMN COC[C@]1(C)CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826036926 633399212 /nfs/dbraw/zinc/39/92/12/633399212.db2.gz RPDNEJZNTJWSID-OAHLLOKOSA-N 0 1 283.799 3.212 20 10 CGCDMN COC[C@]1(C)CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000826036926 633399217 /nfs/dbraw/zinc/39/92/17/633399217.db2.gz RPDNEJZNTJWSID-OAHLLOKOSA-N 0 1 283.799 3.212 20 10 CGCDMN COC[C@]1(C)CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000826036926 633399220 /nfs/dbraw/zinc/39/92/20/633399220.db2.gz RPDNEJZNTJWSID-OAHLLOKOSA-N 0 1 283.799 3.212 20 10 CGCDMN [O-]c1c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)ccc2ccccc21 ZINC000827506775 633495342 /nfs/dbraw/zinc/49/53/42/633495342.db2.gz LTLFNSPSDOTGLQ-UKRRQHHQSA-N 0 1 253.345 3.387 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)ccc2ccccc21 ZINC000827506775 633495345 /nfs/dbraw/zinc/49/53/45/633495345.db2.gz LTLFNSPSDOTGLQ-UKRRQHHQSA-N 0 1 253.345 3.387 20 10 CGCDMN CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000827707791 633511264 /nfs/dbraw/zinc/51/12/64/633511264.db2.gz SLFHIZNIQYLFCH-OAHLLOKOSA-N 0 1 285.387 3.450 20 10 CGCDMN COc1ccc(N2CCN(CC3=CCCC3)CC2)cc1F ZINC000827986130 633544752 /nfs/dbraw/zinc/54/47/52/633544752.db2.gz UHEWHEFXLKMCFQ-UHFFFAOYSA-N 0 1 290.382 3.067 20 10 CGCDMN C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(Cl)ccc1[O-] ZINC000872111444 634035279 /nfs/dbraw/zinc/03/52/79/634035279.db2.gz CVWDUKVPHIIATO-QWRGUYRKSA-N 0 1 297.782 3.040 20 10 CGCDMN C[C@@H](N[C@H]1CCn2ccnc21)c1cc2c(cc1O)CCCC2 ZINC000834830000 634250834 /nfs/dbraw/zinc/25/08/34/634250834.db2.gz AWGXOUZUZWGDNE-WBMJQRKESA-N 0 1 297.402 3.263 20 10 CGCDMN Cc1cc(C)c([C@H](C)N[C@H]2CCn3ccnc32)c(O)c1 ZINC000834831076 634252131 /nfs/dbraw/zinc/25/21/31/634252131.db2.gz HUUJFJXHQDXVQC-STQMWFEESA-N 0 1 271.364 3.001 20 10 CGCDMN CO[C@H](C)c1nc(CNCc2c(C)cccc2O)cs1 ZINC000877074883 634972994 /nfs/dbraw/zinc/97/29/94/634972994.db2.gz UYSFBBUZLQGOOJ-LLVKDONJSA-N 0 1 292.404 3.154 20 10 CGCDMN C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCCS1 ZINC000126509909 635035925 /nfs/dbraw/zinc/03/59/25/635035925.db2.gz BVKUZPLKXLZGCS-ZDUSSCGKSA-N 0 1 271.813 3.421 20 10 CGCDMN CC[C@H](C)[C@](C)(O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840898609 635077919 /nfs/dbraw/zinc/07/79/19/635077919.db2.gz YWUHKVKAPFZKEO-XHDPSFHLSA-N 0 1 285.815 3.241 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCC1(F)F ZINC000877540304 635079342 /nfs/dbraw/zinc/07/93/42/635079342.db2.gz WBLRWTJHKPJKOB-MRVPVSSYSA-N 0 1 277.261 3.148 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CCc2ccncc2)c(Cl)c1 ZINC000840938340 635085776 /nfs/dbraw/zinc/08/57/76/635085776.db2.gz BXCGUWTZYKPTLU-UHFFFAOYSA-N 0 1 290.794 3.424 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CCc2ccncc2)c(Cl)c1 ZINC000840938340 635085781 /nfs/dbraw/zinc/08/57/81/635085781.db2.gz BXCGUWTZYKPTLU-UHFFFAOYSA-N 0 1 290.794 3.424 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]Cc2ccnc(C)c2)c(Cl)c1 ZINC000840950272 635091187 /nfs/dbraw/zinc/09/11/87/635091187.db2.gz GORKWSOFWOOHIM-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CC1(F)F ZINC000840967297 635095743 /nfs/dbraw/zinc/09/57/43/635095743.db2.gz DRUZABRDZLNONL-XVKPBYJWSA-N 0 1 261.699 3.179 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1Cl ZINC000877682373 635144071 /nfs/dbraw/zinc/14/40/71/635144071.db2.gz NHCNEQKXSPLUAB-OPQQBVKSSA-N 0 1 269.772 3.010 20 10 CGCDMN CCOc1cccc(CN2Cc3cccc(O)c3C2)c1 ZINC000877703742 635156024 /nfs/dbraw/zinc/15/60/24/635156024.db2.gz SAUIIEZYHQERLE-UHFFFAOYSA-N 0 1 269.344 3.307 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CCC(C(C)(C)O)CC2)c(Cl)c1 ZINC000877752615 635181442 /nfs/dbraw/zinc/18/14/42/635181442.db2.gz VHAZGFDVWQCXAQ-UHFFFAOYSA-N 0 1 297.826 3.337 20 10 CGCDMN C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841748547 635223826 /nfs/dbraw/zinc/22/38/26/635223826.db2.gz AOHGNAUVRYXCGG-NEPJUHHUSA-N 0 1 282.815 3.038 20 10 CGCDMN COC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841750785 635225519 /nfs/dbraw/zinc/22/55/19/635225519.db2.gz JCYHVFXIQMBVAZ-NOZJJQNGSA-N 0 1 269.772 3.121 20 10 CGCDMN CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753352 635227496 /nfs/dbraw/zinc/22/74/96/635227496.db2.gz HELISUCVXUKRRB-VXGBXAGGSA-N 0 1 284.831 3.425 20 10 CGCDMN CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000842917422 635511594 /nfs/dbraw/zinc/51/15/94/635511594.db2.gz ORGQGZRRQDWBAT-GVXVVHGQSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@H](NCc1noc2c1CCCC2)c1ccccc1O ZINC000879651361 635828437 /nfs/dbraw/zinc/82/84/37/635828437.db2.gz RZTUDDXZTFPFBK-NSHDSACASA-N 0 1 272.348 3.110 20 10 CGCDMN CCCN(Cc1cc2n(n1)CCCC2)Cc1ccccc1O ZINC000844299343 635862891 /nfs/dbraw/zinc/86/28/91/635862891.db2.gz BOILLPKQMGTKSM-UHFFFAOYSA-N 0 1 299.418 3.337 20 10 CGCDMN Cc1ccncc1CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846055805 636139621 /nfs/dbraw/zinc/13/96/21/636139621.db2.gz OAHYDRLRMGGTAN-UHFFFAOYSA-N 0 1 290.794 3.471 20 10 CGCDMN C[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000848565282 636608486 /nfs/dbraw/zinc/60/84/86/636608486.db2.gz HTWABGXRZBHYEA-SNVBAGLBSA-N 0 1 299.798 3.113 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H]1CCN1CC)c1cc(Cl)ccc1[O-] ZINC000883355672 636697769 /nfs/dbraw/zinc/69/77/69/636697769.db2.gz WAEGFWBSSUBDQI-GXTWGEPZSA-N 0 1 282.815 3.181 20 10 CGCDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000086783931 636784094 /nfs/dbraw/zinc/78/40/94/636784094.db2.gz WTRZXHOQJNBSDN-OAHLLOKOSA-N 0 1 297.782 3.122 20 10 CGCDMN CC[C@H](COCC1CC1)[NH2+]Cc1c([O-])cccc1Cl ZINC000850349788 637022854 /nfs/dbraw/zinc/02/28/54/637022854.db2.gz KORWJLZBAJUASP-GFCCVEGCSA-N 0 1 283.799 3.340 20 10 CGCDMN CCc1ccc(C)nc1NCc1cccc(OC)c1O ZINC000850357021 637025763 /nfs/dbraw/zinc/02/57/63/637025763.db2.gz WHKRQCVTPJBKOX-UHFFFAOYSA-N 0 1 272.348 3.279 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(O)cc1 ZINC000134605037 637030809 /nfs/dbraw/zinc/03/08/09/637030809.db2.gz LVAWZIWYHPIPTF-UHFFFAOYSA-N 0 1 263.724 3.041 20 10 CGCDMN CC(C)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134901885 637050456 /nfs/dbraw/zinc/05/04/56/637050456.db2.gz BLZNBQUHMWKBFQ-VIFPVBQESA-N 0 1 272.186 3.461 20 10 CGCDMN CCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000850554044 637119201 /nfs/dbraw/zinc/11/92/01/637119201.db2.gz HHJVDXAJCGJOII-DGCLKSJQSA-N 0 1 282.815 3.181 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]CC2CCC(O)CC2)c2c1c(F)ccc2[O-] ZINC000850555127 637120575 /nfs/dbraw/zinc/12/05/75/637120575.db2.gz MEZSRTKWZJNVGU-MLCFOIATSA-N 0 1 293.382 3.220 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(Cl)cc1[O-] ZINC000850573165 637129916 /nfs/dbraw/zinc/12/99/16/637129916.db2.gz VMUFLOXIQBYDTL-ZJUUUORDSA-N 0 1 279.771 3.191 20 10 CGCDMN Cc1coc(CNCc2ccc(N(C)C)cc2C)c1 ZINC000885988238 637344366 /nfs/dbraw/zinc/34/43/66/637344366.db2.gz HAVGGYUMGQAEEZ-UHFFFAOYSA-N 0 1 258.365 3.252 20 10 CGCDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccn1 ZINC000113312459 638185221 /nfs/dbraw/zinc/18/52/21/638185221.db2.gz JHLCQDIXTBPGHA-LBPRGKRZSA-N 0 1 273.355 3.138 20 10 CGCDMN C/C=C\C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000858538953 638757624 /nfs/dbraw/zinc/75/76/24/638757624.db2.gz ZEPXDTBUQUYVQN-TYRPZCRBSA-N 0 1 270.170 3.381 20 10 CGCDMN CCc1ncc(CN(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000929294038 638916588 /nfs/dbraw/zinc/91/65/88/638916588.db2.gz BZDSNFNKWAGWPZ-UHFFFAOYSA-N 0 1 299.418 3.468 20 10 CGCDMN COc1ccc(CN[C@@H](C)c2cncc(F)c2)cc1C ZINC000155412874 639933459 /nfs/dbraw/zinc/93/34/59/639933459.db2.gz OFYUKBCGFGEAND-LBPRGKRZSA-N 0 1 274.339 3.389 20 10 CGCDMN Cc1ncc(CN(C)Cc2cc(C)c(C)cc2O)s1 ZINC000193424156 640456433 /nfs/dbraw/zinc/45/64/33/640456433.db2.gz PCQGCHUGJSRKAO-UHFFFAOYSA-N 0 1 276.405 3.406 20 10 CGCDMN Cc1cc(O)c(CN2CCO[C@H](C)[C@H]2C)cc1C(C)C ZINC000246863482 640697465 /nfs/dbraw/zinc/69/74/65/640697465.db2.gz DCHJTBQPIAWPSZ-ZIAGYGMSSA-N 0 1 277.408 3.433 20 10 CGCDMN CC(C)CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000091964323 640728211 /nfs/dbraw/zinc/72/82/11/640728211.db2.gz GRVLPDXDZXQVSR-CQSZACIVSA-N 0 1 283.799 3.293 20 10 CGCDMN CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000091964323 640728213 /nfs/dbraw/zinc/72/82/13/640728213.db2.gz GRVLPDXDZXQVSR-CQSZACIVSA-N 0 1 283.799 3.293 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000251526892 640827480 /nfs/dbraw/zinc/82/74/80/640827480.db2.gz LZUDOXCPEGQBAR-RVSPLBMKSA-N 0 1 285.387 3.357 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000113318458 640975363 /nfs/dbraw/zinc/97/53/63/640975363.db2.gz KKUNHSUOKLAYIY-HNNXBMFYSA-N 0 1 295.741 3.008 20 10 CGCDMN C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])N1CCCCC1 ZINC000038028582 798885294 /nfs/dbraw/zinc/88/52/94/798885294.db2.gz VESHOOSABPUKJD-LBPRGKRZSA-N 0 1 282.815 3.010 20 10 CGCDMN CC(C)CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000076275413 798924120 /nfs/dbraw/zinc/92/41/20/798924120.db2.gz IUMCNLFDKMTZCC-UHFFFAOYSA-N 0 1 272.186 3.290 20 10 CGCDMN C[C@H]([NH2+]CC1(CO)CCC1)c1ccc2ccccc2c1[O-] ZINC000186547257 799117848 /nfs/dbraw/zinc/11/78/48/799117848.db2.gz KNGJRXPMTLMPQB-ZDUSSCGKSA-N 0 1 285.387 3.359 20 10 CGCDMN C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc2ccccc2c1[O-] ZINC000379586383 799351501 /nfs/dbraw/zinc/35/15/01/799351501.db2.gz JIWCWWGDATUWEZ-LBPRGKRZSA-N 0 1 281.359 3.162 20 10 CGCDMN C[C@H]([NH2+]Cc1cncn1C)c1ccc2ccccc2c1[O-] ZINC000384608209 799417012 /nfs/dbraw/zinc/41/70/12/799417012.db2.gz YDTGTKXWLZVBBC-LBPRGKRZSA-N 0 1 281.359 3.130 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000385468760 799426088 /nfs/dbraw/zinc/42/60/88/799426088.db2.gz FMOKXLHCGOYHDQ-VIFPVBQESA-N 0 1 279.689 3.430 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000385468760 799426092 /nfs/dbraw/zinc/42/60/92/799426092.db2.gz FMOKXLHCGOYHDQ-VIFPVBQESA-N 0 1 279.689 3.430 20 10 CGCDMN C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc2ccccc2c1[O-] ZINC000386955994 799442036 /nfs/dbraw/zinc/44/20/36/799442036.db2.gz OFYZTMZHZLDEDC-KZULUSFZSA-N 0 1 285.387 3.357 20 10 CGCDMN CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000388152398 799450321 /nfs/dbraw/zinc/45/03/21/799450321.db2.gz FFXHPIJEJNEBHV-ZJUUUORDSA-N 0 1 284.197 3.290 20 10 CGCDMN CCc1nc(C)c(C[NH2+]Cc2cc(Cl)ccc2[O-])o1 ZINC000389255664 799461077 /nfs/dbraw/zinc/46/10/77/799461077.db2.gz DWOIONSNKHRFCP-UHFFFAOYSA-N 0 1 280.755 3.194 20 10 CGCDMN CCc1nc(C)c(CNCc2cc(Cl)ccc2O)o1 ZINC000389255664 799461079 /nfs/dbraw/zinc/46/10/79/799461079.db2.gz DWOIONSNKHRFCP-UHFFFAOYSA-N 0 1 280.755 3.194 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCc1nccs1 ZINC000391135791 799476799 /nfs/dbraw/zinc/47/67/99/799476799.db2.gz PIKPVDDRVWYDFB-UHFFFAOYSA-N 0 1 282.796 3.225 20 10 CGCDMN CCOC1(C[NH2+]Cc2c([O-])cccc2Cl)CCCC1 ZINC000394110405 799494534 /nfs/dbraw/zinc/49/45/34/799494534.db2.gz MOKODTTYUBKXEB-UHFFFAOYSA-N 0 1 283.799 3.485 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH+]1C2CCC1CC2 ZINC000398925622 799533065 /nfs/dbraw/zinc/53/30/65/799533065.db2.gz WGRZIQPUXQTAPW-UHFFFAOYSA-N 0 1 282.181 3.282 20 10 CGCDMN Cc1cccc(CC[NH2+]Cc2cc(Cl)ccc2[O-])n1 ZINC000689431916 799764357 /nfs/dbraw/zinc/76/43/57/799764357.db2.gz JJRVUUHIBKMGBC-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCCC(F)(F)CC1 ZINC000702771088 799912511 /nfs/dbraw/zinc/91/25/11/799912511.db2.gz XHURCIBFHZJLBF-UHFFFAOYSA-N 0 1 259.271 3.153 20 10 CGCDMN CC[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@H](CC)CO1 ZINC000703499984 799924512 /nfs/dbraw/zinc/92/45/12/799924512.db2.gz ASZXWMOXYQZXLG-VXGBXAGGSA-N 0 1 285.334 3.060 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H](CC)CO1 ZINC000703499984 799924515 /nfs/dbraw/zinc/92/45/15/799924515.db2.gz ASZXWMOXYQZXLG-VXGBXAGGSA-N 0 1 285.334 3.060 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+]CCCC1CC1 ZINC000706863898 799969505 /nfs/dbraw/zinc/96/95/05/799969505.db2.gz YRZWSENROOVDEY-UHFFFAOYSA-N 0 1 284.197 3.435 20 10 CGCDMN CCn1ccc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC001118008077 802519124 /nfs/dbraw/zinc/51/91/24/802519124.db2.gz XSYMTEFGGAVTMU-GXTWGEPZSA-N 0 1 285.391 3.255 20 10 CGCDMN Cc1nc(C(C)(C)NCc2ccc(N)cc2)sc1C ZINC001120370773 802742634 /nfs/dbraw/zinc/74/26/34/802742634.db2.gz DXOBUFXVJPOOAU-UHFFFAOYSA-N 0 1 275.421 3.367 20 10 CGCDMN C[N@@H+](CCc1cccc(F)c1)Cc1cccc(F)c1[O-] ZINC001138129906 803865975 /nfs/dbraw/zinc/86/59/75/803865975.db2.gz YPIGVMSLJLJUHB-UHFFFAOYSA-N 0 1 277.314 3.345 20 10 CGCDMN Cc1c(CN2C[C@H](C)O[C@@H](C)C2)c2ccccc2n1C ZINC001138252639 803880337 /nfs/dbraw/zinc/88/03/37/803880337.db2.gz OBFARAXJEFDAQR-STQMWFEESA-N 0 1 272.392 3.096 20 10 CGCDMN CC[C@H]1COCCN1Cc1c(C)n(C)c2ccccc21 ZINC001138258732 803884661 /nfs/dbraw/zinc/88/46/61/803884661.db2.gz ZUTQSVLTHAXJBE-AWEZNQCLSA-N 0 1 272.392 3.098 20 10 CGCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@@H](C)CC12CC2 ZINC001139133587 804133482 /nfs/dbraw/zinc/13/34/82/804133482.db2.gz IJLDXIDPQPIFJB-NSHDSACASA-N 0 1 299.370 3.181 20 10 CGCDMN Cc1cc(CN2CCc3cccnc3C2)ccc1N(C)C ZINC001139674148 804247929 /nfs/dbraw/zinc/24/79/29/804247929.db2.gz RGLLZVRLWSNWPO-UHFFFAOYSA-N 0 1 281.403 3.014 20 10 CGCDMN Cc1cc(CN2CCc3ccncc3C2)ccc1N(C)C ZINC001139672985 804248269 /nfs/dbraw/zinc/24/82/69/804248269.db2.gz MOGPMBOFOLLBFQ-UHFFFAOYSA-N 0 1 281.403 3.014 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001139683054 804251580 /nfs/dbraw/zinc/25/15/80/804251580.db2.gz HELHMEVUTRCUEB-NSHDSACASA-N 0 1 290.313 3.055 20 10 CGCDMN Cc1cc(O)cc(C)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001139714986 804265947 /nfs/dbraw/zinc/26/59/47/804265947.db2.gz CACXFXCOTKFCBL-UHFFFAOYSA-N 0 1 283.371 3.273 20 10 CGCDMN CC[N@@H+](Cc1ccncc1)Cc1ccc(Cl)cc1O ZINC001140461944 804441396 /nfs/dbraw/zinc/44/13/96/804441396.db2.gz ZQQACPXXSDHMBO-UHFFFAOYSA-N 0 1 276.767 3.463 20 10 CGCDMN CC[N@H+](Cc1ccncc1)Cc1ccc(Cl)cc1[O-] ZINC001140461944 804441398 /nfs/dbraw/zinc/44/13/98/804441398.db2.gz ZQQACPXXSDHMBO-UHFFFAOYSA-N 0 1 276.767 3.463 20 10 CGCDMN CC[N@@H+](Cc1ccncc1)Cc1ccc(Cl)cc1[O-] ZINC001140461944 804441401 /nfs/dbraw/zinc/44/14/01/804441401.db2.gz ZQQACPXXSDHMBO-UHFFFAOYSA-N 0 1 276.767 3.463 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCc2ccccc2C1 ZINC001140579879 804466131 /nfs/dbraw/zinc/46/61/31/804466131.db2.gz KEFVMPOTNYYHGP-UHFFFAOYSA-N 0 1 275.298 3.229 20 10 CGCDMN CC(C)[N@@H+](CCCCCO)Cc1c([O-])cc(F)cc1F ZINC001140585739 804467997 /nfs/dbraw/zinc/46/79/97/804467997.db2.gz SQCIZFLQVKBRBJ-UHFFFAOYSA-N 0 1 287.350 3.043 20 10 CGCDMN Cc1ccc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001140948688 804555725 /nfs/dbraw/zinc/55/57/25/804555725.db2.gz VSAHRZPKCDXNCT-GJZGRUSLSA-N 0 1 273.376 3.034 20 10 CGCDMN COc1cc(O)c(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC001141031261 804575787 /nfs/dbraw/zinc/57/57/87/804575787.db2.gz AKEZPJKDYZCJGO-TXEJJXNPSA-N 0 1 279.380 3.172 20 10 CGCDMN CC[N@@H+](Cc1ccc2cc[nH]c2n1)Cc1ccccc1O ZINC001144186554 804950836 /nfs/dbraw/zinc/95/08/36/804950836.db2.gz YYUMRMHSLWRXQY-UHFFFAOYSA-N 0 1 281.359 3.291 20 10 CGCDMN CC(C)(C)Cc1nnc(-c2cc(O)c(O)c(Cl)c2)o1 ZINC001257903315 807248987 /nfs/dbraw/zinc/24/89/87/807248987.db2.gz DSFBQKVYZTYPGO-UHFFFAOYSA-N 0 1 282.727 3.390 20 10 CGCDMN C[N@@H+](Cc1ccccc1O)C1Cc2cc(F)c(F)cc2C1 ZINC001173484771 808644614 /nfs/dbraw/zinc/64/46/14/808644614.db2.gz WMPZBGKUEKIRNP-UHFFFAOYSA-N 0 1 289.325 3.270 20 10 CGCDMN Cc1cc(O)c(CNc2cccc3[nH]nnc32)c(Cl)c1 ZINC001178747714 809885838 /nfs/dbraw/zinc/88/58/38/809885838.db2.gz PKEJIVKOKMPTHN-UHFFFAOYSA-N 0 1 288.738 3.237 20 10 CGCDMN C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2[O-])CCO[C@H]1C1CC1 ZINC001180592109 810012599 /nfs/dbraw/zinc/01/25/99/810012599.db2.gz BSLWUWOWBUKNPJ-HOTGVXAUSA-N 0 1 295.810 3.340 20 10 CGCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])CC1(O)CCCCCC1 ZINC001181057203 810034108 /nfs/dbraw/zinc/03/41/08/810034108.db2.gz YJWGHJTWMCEJRX-UHFFFAOYSA-N 0 1 299.361 3.188 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC001184250159 810185499 /nfs/dbraw/zinc/18/54/99/810185499.db2.gz CRHPCAWSWPJJIN-OASPWFOLSA-N 0 1 296.208 3.433 20 10 CGCDMN CCc1cc(CN(CC)Cc2ccc(N(C)C)cc2)on1 ZINC001203227453 812273807 /nfs/dbraw/zinc/27/38/07/812273807.db2.gz DSTQQVKAEKHZOY-UHFFFAOYSA-N 0 1 287.407 3.325 20 10 CGCDMN COc1cccc(CN(Cc2ccco2)C2CC2)c1O ZINC001203599503 812405638 /nfs/dbraw/zinc/40/56/38/812405638.db2.gz GSWQBHUFRLWNHR-UHFFFAOYSA-N 0 1 273.332 3.158 20 10 CGCDMN CCN(CC)c1ccc(C[N@@H+]2CCC(=O)[C@H](C)CC2)cc1 ZINC001203939610 812497227 /nfs/dbraw/zinc/49/72/27/812497227.db2.gz DQOXLRDNBNVHRT-OAHLLOKOSA-N 0 1 288.435 3.334 20 10 CGCDMN CCN(CC)c1ccc(CN2CCC(=O)[C@H](C)CC2)cc1 ZINC001203939610 812497230 /nfs/dbraw/zinc/49/72/30/812497230.db2.gz DQOXLRDNBNVHRT-OAHLLOKOSA-N 0 1 288.435 3.334 20 10 CGCDMN Oc1cc(-c2nc(-c3ccccc3)no2)cc(Cl)c1O ZINC001216977837 815904435 /nfs/dbraw/zinc/90/44/35/815904435.db2.gz JVUANLVLCZEVLT-UHFFFAOYSA-N 0 1 288.690 3.468 20 10 CGCDMN C[N@H+](Cc1cc(C(=O)[O-])ccc1O)CC1CCCCC1 ZINC001231565624 818124390 /nfs/dbraw/zinc/12/43/90/818124390.db2.gz IOXKITOLWKYFOO-UHFFFAOYSA-N 0 1 277.364 3.103 20 10 CGCDMN Cc1cc(C)c(CN2CCC[C@@H]2c2ncccn2)c(O)c1 ZINC001231850174 818188712 /nfs/dbraw/zinc/18/87/12/818188712.db2.gz LFHHVWAJDDAROF-OAHLLOKOSA-N 0 1 283.375 3.136 20 10 CGCDMN COC(=O)[C@@H]1CCCCN1Cc1ccc2ccccc2c1O ZINC001231879543 818200077 /nfs/dbraw/zinc/20/00/77/818200077.db2.gz HTKFQKLQUMLMKI-INIZCTEOSA-N 0 1 299.370 3.073 20 10 CGCDMN CCCC[N@@H+](CC(=O)OCC)Cc1cccc(Cl)c1[O-] ZINC001231914194 818211650 /nfs/dbraw/zinc/21/16/50/818211650.db2.gz HQZKILHCFHWJGH-UHFFFAOYSA-N 0 1 299.798 3.211 20 10 CGCDMN [O-]c1cc(O)c(C[NH+]2CCC3(CC(F)C3)CC2)cc1Cl ZINC001232258440 818295321 /nfs/dbraw/zinc/29/53/21/818295321.db2.gz YTTFHOCTQPGEJZ-UHFFFAOYSA-N 0 1 299.773 3.465 20 10 CGCDMN [O-]c1c(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)ccc(F)c1F ZINC001233076219 818516804 /nfs/dbraw/zinc/51/68/04/818516804.db2.gz LTFSQTRRNSJVHR-AOOOYVTPSA-N 0 1 289.272 3.148 20 10 CGCDMN C[N@@H+](CCc1cccs1)Cc1c([O-])ccc(F)c1F ZINC001233334374 818586235 /nfs/dbraw/zinc/58/62/35/818586235.db2.gz DEMLXFSBYTYFMN-UHFFFAOYSA-N 0 1 283.343 3.406 20 10 CGCDMN CO[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451402 818623575 /nfs/dbraw/zinc/62/35/75/818623575.db2.gz JFROAWAGMFTPOF-LBPRGKRZSA-N 0 1 289.297 3.022 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451402 818623578 /nfs/dbraw/zinc/62/35/78/818623578.db2.gz JFROAWAGMFTPOF-LBPRGKRZSA-N 0 1 289.297 3.022 20 10 CGCDMN C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2O)[C@@H](C)CO1 ZINC001233455808 818624765 /nfs/dbraw/zinc/62/47/65/818624765.db2.gz ZOZPVBGUTPHAOK-VHSXEESVSA-N 0 1 289.297 3.020 20 10 CGCDMN Oc1c(CN2C[C@H]3CC[C@@H]2CO3)cccc1-c1ccccc1 ZINC001235001198 818975212 /nfs/dbraw/zinc/97/52/12/818975212.db2.gz SURFDPBBLYOOFJ-IAGOWNOFSA-N 0 1 295.382 3.422 20 10 CGCDMN COc1cc(O)c(CN2C[C@@H](C)C[C@H]2CF)c(Cl)c1 ZINC001236798873 819599443 /nfs/dbraw/zinc/59/94/43/819599443.db2.gz PWBCABFTXCFWLX-UWVGGRQHSA-N 0 1 287.762 3.234 20 10 CGCDMN COc1ccc(CN2Cc3ncsc3C2)c(O)c1Cl ZINC001236810006 819604333 /nfs/dbraw/zinc/60/43/33/819604333.db2.gz PUKHUJCOOVXSGO-UHFFFAOYSA-N 0 1 296.779 3.027 20 10 CGCDMN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001237077431 819660395 /nfs/dbraw/zinc/66/03/95/819660395.db2.gz HPJOTYHAXNCWIL-ZYHUDNBSSA-N 0 1 288.174 3.062 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001237127562 819673155 /nfs/dbraw/zinc/67/31/55/819673155.db2.gz CTVPAGPNDQQSQX-HNNXBMFYSA-N 0 1 299.773 3.187 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001237127562 819673159 /nfs/dbraw/zinc/67/31/59/819673159.db2.gz CTVPAGPNDQQSQX-HNNXBMFYSA-N 0 1 299.773 3.187 20 10 CGCDMN CC(=O)c1ccc2c(c1)CN(Cc1c(C)cccc1O)CC2 ZINC001237491156 819764745 /nfs/dbraw/zinc/76/47/45/819764745.db2.gz HUGRNOAVHUKNER-UHFFFAOYSA-N 0 1 295.382 3.462 20 10 CGCDMN C[C@]1(F)CCN(Cc2cc(Cl)cc(F)c2O)C[C@H]1F ZINC001237617640 819787205 /nfs/dbraw/zinc/78/72/05/819787205.db2.gz TYVJKHCQMHWFLA-YPMHNXCESA-N 0 1 293.716 3.457 20 10 CGCDMN CN(C)c1cc(F)c(CN[C@H]2CSC2(C)C)cc1F ZINC001351511666 937017919 /nfs/dbraw/zinc/01/79/19/937017919.db2.gz SBHOPBNPZBTHGT-ZDUSSCGKSA-N 0 1 286.391 3.014 20 10 CGCDMN Cc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])cnc1F ZINC001474609032 937207560 /nfs/dbraw/zinc/20/75/60/937207560.db2.gz NIBGDGXLUPUJBL-UHFFFAOYSA-N 0 1 280.730 3.178 20 10 CGCDMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001560745268 937237147 /nfs/dbraw/zinc/23/71/47/937237147.db2.gz IVYAYLUTDFJQDB-JTQLQIEISA-N 0 1 278.302 3.258 20 10 CGCDMN CCN(C)c1ccc(CN2CCOC[C@@H]2C2CCC2)cc1 ZINC001460291685 937525271 /nfs/dbraw/zinc/52/52/71/937525271.db2.gz LEAKSGSVIAQNRI-GOSISDBHSA-N 0 1 288.435 3.144 20 10 CGCDMN CC(C)[N@@H+](Cc1ccccn1)Cc1cc(F)c(F)cc1[O-] ZINC001461931486 937607507 /nfs/dbraw/zinc/60/75/07/937607507.db2.gz AVFYIKQNWKYALO-UHFFFAOYSA-N 0 1 292.329 3.476 20 10 CGCDMN CCCN(Cc1ccccc1O)Cc1ncccc1F ZINC001461957714 937608908 /nfs/dbraw/zinc/60/89/08/937608908.db2.gz HJAGXUZTUVNVRQ-UHFFFAOYSA-N 0 1 274.339 3.339 20 10 CGCDMN CN(C)c1cc(F)c(CN2CCC[C@H](CF)C2)cc1F ZINC001462535090 937648850 /nfs/dbraw/zinc/64/88/50/937648850.db2.gz HOALKQICBKGMCX-LLVKDONJSA-N 0 1 286.341 3.212 20 10 CGCDMN CC[C@H](COCC1CC1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001308857800 933191695 /nfs/dbraw/zinc/19/16/95/933191695.db2.gz RBILUWZQNWMCGI-CQSZACIVSA-N 0 1 283.799 3.340 20 10 CGCDMN Cn1c2ccccc2nc1NCc1ccc(F)c(F)c1O ZINC001474762750 934213157 /nfs/dbraw/zinc/21/31/57/934213157.db2.gz NOSAOUPRIUHLST-UHFFFAOYSA-N 0 1 289.285 3.169 20 10 CGCDMN Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@H](C)c1ccn(C)n1 ZINC001326047013 934947004 /nfs/dbraw/zinc/94/70/04/934947004.db2.gz SEKMKTVVWBOSAT-YRGRVCCFSA-N 0 1 285.391 3.333 20 10 CGCDMN Cc1c([C@@H](C)[NH2+]Cc2cc(Cl)c(C)cc2[O-])cnn1C ZINC001328196375 935123106 /nfs/dbraw/zinc/12/31/06/935123106.db2.gz FDZNLBDRGVDYOM-SNVBAGLBSA-N 0 1 293.798 3.247 20 10 CGCDMN C[S@@](=O)c1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC001331027884 935344118 /nfs/dbraw/zinc/34/41/18/935344118.db2.gz WWRXQIMCPDCYRK-HXUWFJFHSA-N 0 1 297.326 3.020 20 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10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092072385 345830058 /nfs/dbraw/zinc/83/00/58/345830058.db2.gz BMKSKCIMTDKTEQ-LLVKDONJSA-N 0 1 291.782 3.148 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092072385 345830062 /nfs/dbraw/zinc/83/00/62/345830062.db2.gz BMKSKCIMTDKTEQ-LLVKDONJSA-N 0 1 291.782 3.148 20 10 CGCDMN CCCN(Cc1ccccc1O)Cc1cnccc1OC ZINC000287786686 371706171 /nfs/dbraw/zinc/70/61/71/371706171.db2.gz NTNSDCBASHIHGN-UHFFFAOYSA-N 0 1 286.375 3.208 20 10 CGCDMN Cc1ccc(O)c(CN2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000289354088 371754071 /nfs/dbraw/zinc/75/40/71/371754071.db2.gz JMUWHHSSHNBNFU-OAHLLOKOSA-N 0 1 271.364 3.151 20 10 CGCDMN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000290568532 372018684 /nfs/dbraw/zinc/01/86/84/372018684.db2.gz SXRXXKKPTKULCM-ZYHUDNBSSA-N 0 1 294.351 3.072 20 10 CGCDMN CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168776896 372619031 /nfs/dbraw/zinc/61/90/31/372619031.db2.gz XOTFUBSYEUTPHB-LRDDRELGSA-N 0 1 273.376 3.213 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCC[C@@H]1CF ZINC000294239574 372624792 /nfs/dbraw/zinc/62/47/92/372624792.db2.gz ZTHPFVAOXFBJOK-SECBINFHSA-N 0 1 261.699 3.119 20 10 CGCDMN CCC[N@H+](C)C[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000180524331 374016290 /nfs/dbraw/zinc/01/62/90/374016290.db2.gz VZWWBXLFGBWCDV-ZDUSSCGKSA-N 0 1 296.842 3.209 20 10 CGCDMN CCC[N@@H+](C)C[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000180524331 374016301 /nfs/dbraw/zinc/01/63/01/374016301.db2.gz VZWWBXLFGBWCDV-ZDUSSCGKSA-N 0 1 296.842 3.209 20 10 CGCDMN C[C@H]([NH2+]CCCn1cccn1)c1ccc2ccccc2c1[O-] ZINC000181974266 374199380 /nfs/dbraw/zinc/19/93/80/374199380.db2.gz UKYACXSGYJEJTQ-AWEZNQCLSA-N 0 1 295.386 3.483 20 10 CGCDMN C[C@H](c1ccccn1)N(C)Cc1cc(F)ccc1O ZINC000183676357 374440929 /nfs/dbraw/zinc/44/09/29/374440929.db2.gz WHWWZFJMDPYVIT-LLVKDONJSA-N 0 1 260.312 3.119 20 10 CGCDMN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000191639654 375645872 /nfs/dbraw/zinc/64/58/72/375645872.db2.gz YKNQRFZRIZNLFQ-IVZWLZJFSA-N 0 1 257.761 3.120 20 10 CGCDMN CC(C)C[C@@H](CCO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000266594832 378024328 /nfs/dbraw/zinc/02/43/28/378024328.db2.gz AQQRZYPDDPUEGK-GFCCVEGCSA-N 0 1 285.815 3.180 20 10 CGCDMN CCC1(C[NH2+]Cc2c([O-])cccc2Cl)CCOCC1 ZINC000266615450 378024805 /nfs/dbraw/zinc/02/48/05/378024805.db2.gz JOXZSYNYNDHUSG-UHFFFAOYSA-N 0 1 283.799 3.342 20 10 CGCDMN CCN(CC)c1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000268832807 378126200 /nfs/dbraw/zinc/12/62/00/378126200.db2.gz KXKBWTKZXDBWAH-QGZVFWFLSA-N 0 1 298.434 3.423 20 10 CGCDMN COc1cc(O)c(C[N@H+]2CC[C@H](C)C[C@H]2C)cc1OC ZINC000271752132 378503375 /nfs/dbraw/zinc/50/33/75/378503375.db2.gz VZWDBXZZRZTXTE-NWDGAFQWSA-N 0 1 279.380 3.030 20 10 CGCDMN C[C@@H](CO)CCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273485470 378750650 /nfs/dbraw/zinc/75/06/50/378750650.db2.gz NCGHPINSOASKLD-GHMZBOCLSA-N 0 1 271.788 3.105 20 10 CGCDMN COc1ccc2c(c1)CC[N@H+](Cc1ccccc1O)CC2 ZINC000370150238 378987477 /nfs/dbraw/zinc/98/74/77/378987477.db2.gz QVWJUVICHLLYNA-UHFFFAOYSA-N 0 1 283.371 3.002 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+]C1CC(F)(F)C1 ZINC000277401235 379150736 /nfs/dbraw/zinc/15/07/36/379150736.db2.gz DZBIFYZUVSQEPF-UHFFFAOYSA-N 0 1 292.123 3.042 20 10 CGCDMN CC(C)(C)c1nc(CNCc2ccccc2O)cs1 ZINC000134232648 392466313 /nfs/dbraw/zinc/46/63/13/392466313.db2.gz KYWWMUUFBZMZMI-UHFFFAOYSA-N 0 1 276.405 3.436 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000185512791 262058125 /nfs/dbraw/zinc/05/81/25/262058125.db2.gz IDMIATRUMMIRGS-YMTOWFKASA-N 0 1 297.807 3.491 20 10 CGCDMN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])[nH]n1 ZINC000186130671 262081003 /nfs/dbraw/zinc/08/10/03/262081003.db2.gz GTNRFFPTHMLBRC-GXSJLCMTSA-N 0 1 293.798 3.359 20 10 CGCDMN CO[C@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000369532984 267248875 /nfs/dbraw/zinc/24/88/75/267248875.db2.gz QVSCVPLNLTYFFM-OAHLLOKOSA-N 0 1 283.799 3.437 20 10 CGCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000369532984 267248879 /nfs/dbraw/zinc/24/88/79/267248879.db2.gz QVSCVPLNLTYFFM-OAHLLOKOSA-N 0 1 283.799 3.437 20 10 CGCDMN C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000269795161 274274206 /nfs/dbraw/zinc/27/42/06/274274206.db2.gz BFMBOQOFVDHSKY-UKRRQHHQSA-N 0 1 285.387 3.281 20 10 CGCDMN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000269795161 274274207 /nfs/dbraw/zinc/27/42/07/274274207.db2.gz BFMBOQOFVDHSKY-UKRRQHHQSA-N 0 1 285.387 3.281 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@H](O)C(F)F ZINC000296386489 276587964 /nfs/dbraw/zinc/58/79/64/276587964.db2.gz JWSTYOKQIJHBNE-VIRWGQHYSA-N 0 1 293.741 3.101 20 10 CGCDMN COc1cccc(CN2CCOc3ccc(C)cc3C2)c1O ZINC000367716823 278010920 /nfs/dbraw/zinc/01/09/20/278010920.db2.gz CDDQPZUBWBJZBD-UHFFFAOYSA-N 0 1 299.370 3.104 20 10 CGCDMN C[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cc(Cl)ccc1[O-] ZINC000185368484 327838872 /nfs/dbraw/zinc/83/88/72/327838872.db2.gz QMAFANGOOMMAKW-QWRGUYRKSA-N 0 1 282.815 3.179 20 10 CGCDMN C[C@H]1COCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000359868153 327396228 /nfs/dbraw/zinc/39/62/28/327396228.db2.gz HGRFMGZKSHFJEO-SECBINFHSA-N 0 1 290.190 3.167 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000180316585 329219706 /nfs/dbraw/zinc/21/97/06/329219706.db2.gz LSHQUSAVYIGHFI-RISCZKNCSA-N 0 1 281.783 3.047 20 10 CGCDMN CCC(C)(C)OC1CN(Cc2cccc(C)c2O)C1 ZINC000529640101 333502850 /nfs/dbraw/zinc/50/28/50/333502850.db2.gz HEACQQMGWGKAFK-UHFFFAOYSA-N 0 1 263.381 3.090 20 10 CGCDMN CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)c2ccccc2O)[nH]1 ZINC000277110050 522052330 /nfs/dbraw/zinc/05/23/30/522052330.db2.gz HVQIUUGSNREDMH-QJPTWQEYSA-N 0 1 288.395 3.436 20 10 CGCDMN CCc1ccc(CNCc2ccc(N(C)C)cc2)o1 ZINC000051721803 523942161 /nfs/dbraw/zinc/94/21/61/523942161.db2.gz ZIXJEPUSVUYSGX-UHFFFAOYSA-N 0 1 258.365 3.198 20 10 CGCDMN C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1cc(Cl)ccc1[O-] ZINC000290078262 525540631 /nfs/dbraw/zinc/54/06/31/525540631.db2.gz GQTFLQOQTFUUDS-HZMBPMFUSA-N 0 1 283.799 3.247 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000289730014 526327940 /nfs/dbraw/zinc/32/79/40/526327940.db2.gz HUZBZBYPIARZNV-HNNXBMFYSA-N 0 1 272.323 3.263 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(CF)CC1 ZINC000294925352 526363947 /nfs/dbraw/zinc/36/39/47/526363947.db2.gz BGWDPXHKCMCNBS-UHFFFAOYSA-N 0 1 257.736 3.227 20 10 CGCDMN c1cc(CNCc2ccc3c(n2)CCCC3)cc2c1OCC2 ZINC000277799421 526428107 /nfs/dbraw/zinc/42/81/07/526428107.db2.gz XKNCVTUCBKJCJP-UHFFFAOYSA-N 0 1 294.398 3.185 20 10 CGCDMN COc1ccc(CNCc2nn(C)c3ccccc23)cc1C ZINC000727470508 571748553 /nfs/dbraw/zinc/74/85/53/571748553.db2.gz HLCULJAAVQTYQY-UHFFFAOYSA-N 0 1 295.386 3.180 20 10 CGCDMN CCOc1ccc(CN[C@@H](C)c2nc(C)cs2)c(O)c1 ZINC000727837166 571772124 /nfs/dbraw/zinc/77/21/24/571772124.db2.gz MGCSVCILDJRAIN-NSHDSACASA-N 0 1 292.404 3.407 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H](CCO)c1cccs1 ZINC000740900447 572467795 /nfs/dbraw/zinc/46/77/95/572467795.db2.gz PXJMMSOYGYKPHL-GFCCVEGCSA-N 0 1 297.807 3.320 20 10 CGCDMN C[C@H](Cc1cccc(O)c1)[NH2+]Cc1c([O-])cccc1Cl ZINC000733326827 572556500 /nfs/dbraw/zinc/55/65/00/572556500.db2.gz DXBRMPXJCNQXDG-LLVKDONJSA-N 0 1 291.778 3.472 20 10 CGCDMN CCC(CC)(C[NH2+]Cc1c([O-])cccc1Cl)OC ZINC000311176797 618895744 /nfs/dbraw/zinc/89/57/44/618895744.db2.gz WLKHOHXUKXJQNY-UHFFFAOYSA-N 0 1 271.788 3.340 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCOC2CCCC2)c(Cl)c1 ZINC000840888077 618899574 /nfs/dbraw/zinc/89/95/74/618899574.db2.gz XBXFWCJCVMHNKP-UHFFFAOYSA-N 0 1 283.799 3.403 20 10 CGCDMN CC[C@@H](NCc1cc(F)ccc1O)c1nccs1 ZINC000226610961 619276919 /nfs/dbraw/zinc/27/69/19/619276919.db2.gz KKTRSDUSZFCFQF-LLVKDONJSA-N 0 1 266.341 3.229 20 10 CGCDMN C[C@@H]1C[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])[C@@H](C)O1 ZINC000840962750 619282323 /nfs/dbraw/zinc/28/23/23/619282323.db2.gz FABRLUXTQBMDIA-XJKCOSOUSA-N 0 1 285.387 3.449 20 10 CGCDMN Cc1ncoc1CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000893946533 619338773 /nfs/dbraw/zinc/33/87/73/619338773.db2.gz CCFSKVDUZIKDDN-UHFFFAOYSA-N 0 1 287.407 3.460 20 10 CGCDMN CC(C)[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CCC1 ZINC000894045464 619358047 /nfs/dbraw/zinc/35/80/47/619358047.db2.gz PFVLKSQAYWTRGZ-UHFFFAOYSA-N 0 1 255.308 3.433 20 10 CGCDMN Cc1cccc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])n1 ZINC000894049349 619358630 /nfs/dbraw/zinc/35/86/30/619358630.db2.gz HOPKCDOJQYZQLR-UHFFFAOYSA-N 0 1 278.302 3.006 20 10 CGCDMN COc1ccc(N(C)Cc2n[nH]c(C)c2C)cc1Cl ZINC000894429569 619532070 /nfs/dbraw/zinc/53/20/70/619532070.db2.gz KJUHCWJCGIZTIJ-UHFFFAOYSA-N 0 1 279.771 3.325 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000895073437 619712952 /nfs/dbraw/zinc/71/29/52/619712952.db2.gz HMMZKKYRAKHYPK-ABAIWWIYSA-N 0 1 297.345 3.061 20 10 CGCDMN Cc1ccc(CN2CCS[C@H](C(F)(F)F)C2)c(O)c1 ZINC000896454200 620009547 /nfs/dbraw/zinc/00/95/47/620009547.db2.gz VASBNKAPXZSRMN-LBPRGKRZSA-N 0 1 291.338 3.180 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1cc2n(n1)CCC2 ZINC000840724155 620218546 /nfs/dbraw/zinc/21/85/46/620218546.db2.gz UJTTXIUGKJJDNW-CQSZACIVSA-N 0 1 298.434 3.055 20 10 CGCDMN C[C@@H](NCc1cnc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000799167057 620292744 /nfs/dbraw/zinc/29/27/44/620292744.db2.gz RLNATOOFIZUSJL-LLVKDONJSA-N 0 1 290.798 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897539123 620382434 /nfs/dbraw/zinc/38/24/34/620382434.db2.gz OPVGTATUOXOGGU-BXUZGUMPSA-N 0 1 283.799 3.076 20 10 CGCDMN CC[C@H](NCc1csc(N)n1)c1ccc(N(C)C)cc1 ZINC000902488583 621356171 /nfs/dbraw/zinc/35/61/71/621356171.db2.gz HOMWAKMACOXQTQ-AWEZNQCLSA-N 0 1 290.436 3.032 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000902650316 621392575 /nfs/dbraw/zinc/39/25/75/621392575.db2.gz NAGKTYJZTCJHND-BBRMVZONSA-N 0 1 268.360 3.315 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000902650316 621392582 /nfs/dbraw/zinc/39/25/82/621392582.db2.gz NAGKTYJZTCJHND-BBRMVZONSA-N 0 1 268.360 3.315 20 10 CGCDMN C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1cc(Cl)ccc1[O-] ZINC000903435282 621745089 /nfs/dbraw/zinc/74/50/89/621745089.db2.gz CCUFLIDGWQLLIR-HERUPUMHSA-N 0 1 281.783 3.121 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+]C(C1CC1)C1CC1 ZINC000227440862 623019395 /nfs/dbraw/zinc/01/93/95/623019395.db2.gz ZWUWOFPIYJSLHI-UHFFFAOYSA-N 0 1 296.208 3.433 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H](C)N)c1cc(Cl)cc(Cl)c1[O-] ZINC000817971983 625629824 /nfs/dbraw/zinc/62/98/24/625629824.db2.gz IORKTPNSVUEKCU-WRWORJQWSA-N 0 1 277.195 3.087 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C1Cc2ccccc2C1 ZINC000231032358 623292589 /nfs/dbraw/zinc/29/25/89/623292589.db2.gz HCSWELGTEWTXEQ-UHFFFAOYSA-N 0 1 273.763 3.303 20 10 CGCDMN COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000174555882 623405436 /nfs/dbraw/zinc/40/54/36/623405436.db2.gz HKCVRVYYHAGHQZ-SNVBAGLBSA-N 0 1 271.788 3.339 20 10 CGCDMN CC[N@@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCOC1 ZINC000312560906 623538951 /nfs/dbraw/zinc/53/89/51/623538951.db2.gz NCUGMPLUSGHITE-AWEZNQCLSA-N 0 1 271.360 3.156 20 10 CGCDMN CC[C@@H]1COCCN1Cc1cc(C(C)C)c(C)cc1O ZINC000151900787 623581701 /nfs/dbraw/zinc/58/17/01/623581701.db2.gz NTXOPRVEDZZLIA-OAHLLOKOSA-N 0 1 277.408 3.435 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC000179855266 624688855 /nfs/dbraw/zinc/68/88/55/624688855.db2.gz FKOPCTOYMILHOC-CMPLNLGQSA-N 0 1 269.772 3.045 20 10 CGCDMN COc1cccc(CN[C@H](C)c2nc(C)cs2)c1O ZINC000069168207 624801867 /nfs/dbraw/zinc/80/18/67/624801867.db2.gz UZFKXYGTRBMJBI-SNVBAGLBSA-N 0 1 278.377 3.017 20 10 CGCDMN COc1ccccc1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000113313274 626089615 /nfs/dbraw/zinc/08/96/15/626089615.db2.gz UUGFTAYFFVKBPF-UHFFFAOYSA-N 0 1 291.778 3.387 20 10 CGCDMN CC1CCN(c2ccc(CNCc3cnccn3)cc2)CC1 ZINC000838940038 626286221 /nfs/dbraw/zinc/28/62/21/626286221.db2.gz GYZBCCPPGPLJRW-UHFFFAOYSA-N 0 1 296.418 3.003 20 10 CGCDMN COC1(c2ccccc2)CN(Cc2cccc(C)c2O)C1 ZINC000839100572 626314032 /nfs/dbraw/zinc/31/40/32/626314032.db2.gz XXZVWDWISONIBU-UHFFFAOYSA-N 0 1 283.371 3.058 20 10 CGCDMN C[C@H]1COC(C)(C)CN1Cc1cc(Cl)cc(F)c1O ZINC000754156816 626561591 /nfs/dbraw/zinc/56/15/91/626561591.db2.gz VMTHKJNUBVJRTA-VIFPVBQESA-N 0 1 287.762 3.184 20 10 CGCDMN CCCCN(C)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756574878 626716970 /nfs/dbraw/zinc/71/69/70/626716970.db2.gz HAUHZBIYBZYRFI-GFCCVEGCSA-N 0 1 284.831 3.428 20 10 CGCDMN Cc1ccc([C@H](C)NCc2ccn(C(C)C)n2)c(O)c1 ZINC000756596342 626719229 /nfs/dbraw/zinc/71/92/29/626719229.db2.gz ZIDJOJPZMUBHFW-ZDUSSCGKSA-N 0 1 273.380 3.329 20 10 CGCDMN C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000756782568 626732138 /nfs/dbraw/zinc/73/21/38/626732138.db2.gz CIOCBCBXXGACBB-CPCISQLKSA-N 0 1 297.704 3.010 20 10 CGCDMN Cc1ccc([C@@H](C)Nc2cnn(-c3ccncc3)c2)c(O)c1 ZINC000756867470 626738519 /nfs/dbraw/zinc/73/85/19/626738519.db2.gz KRROWMIVTFXMDV-CYBMUJFWSA-N 0 1 294.358 3.454 20 10 CGCDMN C[C@@H](NCc1ccc(F)cn1)c1ccc(N(C)C)cc1 ZINC000766608914 627347685 /nfs/dbraw/zinc/34/76/85/627347685.db2.gz UTIMTJIRPKKEBZ-GFCCVEGCSA-N 0 1 273.355 3.138 20 10 CGCDMN O=C(CCN(Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000767423549 627407702 /nfs/dbraw/zinc/40/77/02/627407702.db2.gz BMEMCIJIXFADNW-UHFFFAOYSA-N 0 1 299.370 3.357 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769314373 627540118 /nfs/dbraw/zinc/54/01/18/627540118.db2.gz YDJAKTXJYCEJIN-LBPRGKRZSA-N 0 1 291.782 3.079 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769314373 627540122 /nfs/dbraw/zinc/54/01/22/627540122.db2.gz YDJAKTXJYCEJIN-LBPRGKRZSA-N 0 1 291.782 3.079 20 10 CGCDMN CN(C)c1ccc(CN2CCc3ccc(F)cc3C2)cc1 ZINC000769403566 627549310 /nfs/dbraw/zinc/54/93/10/627549310.db2.gz DMNXJDFITPRBHN-UHFFFAOYSA-N 0 1 284.378 3.450 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770286603 627611936 /nfs/dbraw/zinc/61/19/36/627611936.db2.gz RYLUMLXHVXBCBB-RISCZKNCSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770286603 627611939 /nfs/dbraw/zinc/61/19/39/627611939.db2.gz RYLUMLXHVXBCBB-RISCZKNCSA-N 0 1 281.783 3.047 20 10 CGCDMN Oc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2O)cc1 ZINC000770508720 627623906 /nfs/dbraw/zinc/62/39/06/627623906.db2.gz GBGKWIIJMRKVKR-MRXNPFEDSA-N 0 1 269.344 3.435 20 10 CGCDMN C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccccc1O ZINC000770506224 627623971 /nfs/dbraw/zinc/62/39/71/627623971.db2.gz ZNHMRJKMHOALJP-ACJLOTCBSA-N 0 1 283.371 3.216 20 10 CGCDMN COc1ccc2c(c1)CCN2Cc1[nH]nc2ccccc21 ZINC000772600805 627805508 /nfs/dbraw/zinc/80/55/08/627805508.db2.gz ZIYGAMOCZOMCTI-UHFFFAOYSA-N 0 1 279.343 3.134 20 10 CGCDMN Cc1cc(NCc2ccccc2O)c2cc(F)ccc2n1 ZINC000774524488 628001960 /nfs/dbraw/zinc/00/19/60/628001960.db2.gz UYRZBHBJJJRPIF-UHFFFAOYSA-N 0 1 282.318 3.422 20 10 CGCDMN COc1cc(C)nc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775364470 628086462 /nfs/dbraw/zinc/08/64/62/628086462.db2.gz RAFFDSVEPOBTOL-AWEZNQCLSA-N 0 1 299.418 3.315 20 10 CGCDMN CCC[C@@H](O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503638 628102082 /nfs/dbraw/zinc/10/20/82/628102082.db2.gz LEXMFPHZFGIRSN-YPMHNXCESA-N 0 1 271.788 3.247 20 10 CGCDMN COc1ccc(O)c(CN2CCOc3ccccc3[C@@H]2C)c1 ZINC000775658258 628120932 /nfs/dbraw/zinc/12/09/32/628120932.db2.gz MCZJWKNOAVXDEI-ZDUSSCGKSA-N 0 1 299.370 3.356 20 10 CGCDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCCCO1 ZINC000775661392 628121231 /nfs/dbraw/zinc/12/12/31/628121231.db2.gz NDTLLUNGIWGXHO-LBPRGKRZSA-N 0 1 287.762 3.186 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000775675069 628124185 /nfs/dbraw/zinc/12/41/85/628124185.db2.gz RGIKQXLSWLDALI-ZDUSSCGKSA-N 0 1 291.782 3.079 20 10 CGCDMN COC(C)(C)C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775738020 628131217 /nfs/dbraw/zinc/13/12/17/628131217.db2.gz PUWAIFSABYRDIL-UHFFFAOYSA-N 0 1 275.751 3.042 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000775738552 628131261 /nfs/dbraw/zinc/13/12/61/628131261.db2.gz HFPIBPHKGSHNTI-GXTWGEPZSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000775736030 628131403 /nfs/dbraw/zinc/13/14/03/628131403.db2.gz JLWVDBCWHHHCCS-JSGCOSHPSA-N 0 1 281.783 3.047 20 10 CGCDMN CC(C)c1cc(CN[C@H](C)c2ccccc2O)on1 ZINC000783510650 628719678 /nfs/dbraw/zinc/71/96/78/628719678.db2.gz QKUIWGFEGUUUTK-LLVKDONJSA-N 0 1 260.337 3.354 20 10 CGCDMN CN(C)c1cc(F)c(CN2CCCCC2)cc1F ZINC000862253685 629330819 /nfs/dbraw/zinc/33/08/19/629330819.db2.gz UCZPFNUPQRHQSG-UHFFFAOYSA-N 0 1 254.324 3.017 20 10 CGCDMN CN(C)c1ccc(CN2CC(Cc3ccco3)C2)cc1F ZINC000862486471 629387370 /nfs/dbraw/zinc/38/73/70/629387370.db2.gz FOSAPWVSFUVBHW-UHFFFAOYSA-N 0 1 288.366 3.159 20 10 CGCDMN CCC(O)(CC)C[N@H+](C)Cc1c([O-])cccc1Cl ZINC000862539097 629394167 /nfs/dbraw/zinc/39/41/67/629394167.db2.gz HTFYKDOGKDNYFG-UHFFFAOYSA-N 0 1 271.788 3.029 20 10 CGCDMN CCC(O)(CC)C[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000862539097 629394176 /nfs/dbraw/zinc/39/41/76/629394176.db2.gz HTFYKDOGKDNYFG-UHFFFAOYSA-N 0 1 271.788 3.029 20 10 CGCDMN CO[C@]1(C)CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000793216861 629429413 /nfs/dbraw/zinc/42/94/13/629429413.db2.gz JSNZXVGSOWMTTI-CQSZACIVSA-N 0 1 287.762 3.186 20 10 CGCDMN CC[C@@H](NCc1ncccc1F)c1ccc(C)cc1O ZINC000794819746 629582491 /nfs/dbraw/zinc/58/24/91/629582491.db2.gz XKKJIZTUXGVKTR-CQSZACIVSA-N 0 1 274.339 3.476 20 10 CGCDMN Cc1cc(C)c(O)c(CN2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000795665604 629707412 /nfs/dbraw/zinc/70/74/12/629707412.db2.gz GCDDNCBZEPIWEY-INIZCTEOSA-N 0 1 285.391 3.459 20 10 CGCDMN CN(C)c1ccc(CN[C@H]2CCCc3cccnc32)cc1F ZINC000798927301 630125547 /nfs/dbraw/zinc/12/55/47/630125547.db2.gz RHMUOIPOLBYNAA-INIZCTEOSA-N 0 1 299.393 3.454 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](CO)C(C)C)c1cc(Cl)ccc1[O-] ZINC000806170240 630553085 /nfs/dbraw/zinc/55/30/85/630553085.db2.gz XWVQCKAGGDOISB-RISCZKNCSA-N 0 1 285.815 3.351 20 10 CGCDMN Cc1[nH]ccc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839574 630600374 /nfs/dbraw/zinc/60/03/74/630600374.db2.gz PASBMZCNXVBURX-UHFFFAOYSA-N 0 1 299.157 3.266 20 10 CGCDMN C[C@@H](NCc1c(O)ccc(Cl)c1F)C(F)(F)F ZINC000808436436 630645358 /nfs/dbraw/zinc/64/53/58/630645358.db2.gz WTWXQSBECFXPKN-RXMQYKEDSA-N 0 1 271.641 3.225 20 10 CGCDMN CC[N@H+](CCCN1CCCC1)Cc1cccc(Cl)c1[O-] ZINC000809750328 630799138 /nfs/dbraw/zinc/79/91/38/630799138.db2.gz UJFUDWYCJTWEFM-UHFFFAOYSA-N 0 1 296.842 3.353 20 10 CGCDMN CC[N@@H+](CCCN1CCCC1)Cc1cccc(Cl)c1[O-] ZINC000809750328 630799141 /nfs/dbraw/zinc/79/91/41/630799141.db2.gz UJFUDWYCJTWEFM-UHFFFAOYSA-N 0 1 296.842 3.353 20 10 CGCDMN CC[C@@H]([NH2+]CC[C@@H](C)O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219502 630855536 /nfs/dbraw/zinc/85/55/36/630855536.db2.gz SZEATVVYFHUIIJ-BXKDBHETSA-N 0 1 291.313 3.223 20 10 CGCDMN COc1ccc(O)c(CNc2cc[nH+]c3c([O-])cccc23)c1 ZINC000811806414 631121028 /nfs/dbraw/zinc/12/10/28/631121028.db2.gz VOHJMHNMPFCDJN-UHFFFAOYSA-N 0 1 296.326 3.267 20 10 CGCDMN CC(C)[N@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCOC1 ZINC000812776371 631305269 /nfs/dbraw/zinc/30/52/69/631305269.db2.gz KHNWHPHLVSVAFD-ZDUSSCGKSA-N 0 1 269.772 3.045 20 10 CGCDMN CC(C)[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCOC1 ZINC000812776371 631305276 /nfs/dbraw/zinc/30/52/76/631305276.db2.gz KHNWHPHLVSVAFD-ZDUSSCGKSA-N 0 1 269.772 3.045 20 10 CGCDMN COCC(C)(C)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000814178374 631538584 /nfs/dbraw/zinc/53/85/84/631538584.db2.gz NMGLEOJSOTURCG-UHFFFAOYSA-N 0 1 275.751 3.042 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@H](CCO)C2)ccc2ccccc21 ZINC000816504585 631996139 /nfs/dbraw/zinc/99/61/39/631996139.db2.gz SRERHPYVRIEWEP-AWEZNQCLSA-N 0 1 285.387 3.140 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](CCO)C2)ccc2ccccc21 ZINC000816504585 631996147 /nfs/dbraw/zinc/99/61/47/631996147.db2.gz SRERHPYVRIEWEP-AWEZNQCLSA-N 0 1 285.387 3.140 20 10 CGCDMN CCN(CC[NH2+]Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000816545344 632007686 /nfs/dbraw/zinc/00/76/86/632007686.db2.gz MWTKNNWTRDSWQL-UHFFFAOYSA-N 0 1 284.403 3.119 20 10 CGCDMN CC(C)[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816551124 632008706 /nfs/dbraw/zinc/00/87/06/632008706.db2.gz PTXUHAITIKQVDM-QGZVFWFLSA-N 0 1 273.376 3.042 20 10 CGCDMN C[N@@H+](Cc1ccncc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816568812 632015098 /nfs/dbraw/zinc/01/50/98/632015098.db2.gz QWGOIOIQFVLTGR-UHFFFAOYSA-N 0 1 280.730 3.212 20 10 CGCDMN CCOC(C)(C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816584770 632017063 /nfs/dbraw/zinc/01/70/63/632017063.db2.gz RXAVJUVURPIOCH-UHFFFAOYSA-N 0 1 273.376 3.450 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN[C@@H]1CCCC1(F)F ZINC000816612571 632023184 /nfs/dbraw/zinc/02/31/84/632023184.db2.gz SLWKLMZYCFEQBX-LLVKDONJSA-N 0 1 279.689 3.462 20 10 CGCDMN CC[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC000817414759 632144645 /nfs/dbraw/zinc/14/46/45/632144645.db2.gz JQQZHQWCFWGXQN-NWDGAFQWSA-N 0 1 283.799 3.401 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1ccc(Cl)c(Cl)c1[O-] ZINC000817978252 632268418 /nfs/dbraw/zinc/26/84/18/632268418.db2.gz YZTQWZIVWJXMPQ-LAEOZQHASA-N 0 1 291.222 3.475 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(Br)cc1[O-] ZINC000818356254 632313930 /nfs/dbraw/zinc/31/39/30/632313930.db2.gz MDLZEOHILQZMNO-QPUJVOFHSA-N 0 1 282.181 3.358 20 10 CGCDMN C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000866443654 633133449 /nfs/dbraw/zinc/13/34/49/633133449.db2.gz RJXLNGXRYHGBCN-DNJQJEMRSA-N 0 1 269.772 3.262 20 10 CGCDMN C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000866513627 633170299 /nfs/dbraw/zinc/17/02/99/633170299.db2.gz WYOLQGYOXQZTCS-PPHDSNJXSA-N 0 1 293.382 3.387 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000824750093 633283401 /nfs/dbraw/zinc/28/34/01/633283401.db2.gz CXVGFZJDMSHHGM-GFCCVEGCSA-N 0 1 295.810 3.485 20 10 CGCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C12CCC2 ZINC000825104442 633329547 /nfs/dbraw/zinc/32/95/47/633329547.db2.gz XAGJZQOTXQWFGX-KGLIPLIRSA-N 0 1 295.810 3.435 20 10 CGCDMN COC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])C(C)C ZINC000825286310 633342403 /nfs/dbraw/zinc/34/24/03/633342403.db2.gz DQRVISWZXHFJDW-CYBMUJFWSA-N 0 1 271.788 3.115 20 10 CGCDMN CSC[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825298059 633343538 /nfs/dbraw/zinc/34/35/38/633343538.db2.gz UBRBCVHWDXNIBZ-VIFPVBQESA-N 0 1 259.802 3.195 20 10 CGCDMN CO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825489236 633357625 /nfs/dbraw/zinc/35/76/25/633357625.db2.gz FXVKDYNYTUIQEK-CYBMUJFWSA-N 0 1 283.799 3.355 20 10 CGCDMN CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825489236 633357631 /nfs/dbraw/zinc/35/76/31/633357631.db2.gz FXVKDYNYTUIQEK-CYBMUJFWSA-N 0 1 283.799 3.355 20 10 CGCDMN CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826064003 633401615 /nfs/dbraw/zinc/40/16/15/633401615.db2.gz CAGCSHYAMXGFFH-TZMCWYRMSA-N 0 1 269.772 3.011 20 10 CGCDMN CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826120320 633406607 /nfs/dbraw/zinc/40/66/07/633406607.db2.gz BUNYSIFZZIYMQL-OCCSQVGLSA-N 0 1 269.772 3.011 20 10 CGCDMN C[C@H](O)[C@H]([NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000827856837 633525592 /nfs/dbraw/zinc/52/55/92/633525592.db2.gz TWUSSYXFZPEWCI-ZBEGNZNMSA-N 0 1 291.778 3.257 20 10 CGCDMN COc1cncc(/C=C\CC[N@@H+](C)Cc2ccccc2O)c1 ZINC000828062575 633555292 /nfs/dbraw/zinc/55/52/92/633555292.db2.gz KSYIEWGPQNSIDD-ALCCZGGFSA-N 0 1 298.386 3.331 20 10 CGCDMN CCCOc1ccc(CNCc2snnc2C)cc1C ZINC000873127207 634252026 /nfs/dbraw/zinc/25/20/26/634252026.db2.gz JACBVEOSVBQDRB-UHFFFAOYSA-N 0 1 291.420 3.234 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)CCCO)c1[O-] ZINC000834870913 634261328 /nfs/dbraw/zinc/26/13/28/634261328.db2.gz LNXPWHMWAUWARC-JQWIXIFHSA-N 0 1 285.815 3.413 20 10 CGCDMN CCn1ccnc1[C@@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000834894237 634272049 /nfs/dbraw/zinc/27/20/49/634272049.db2.gz JLBKZQOKHFTHKN-CHWSQXEVSA-N 0 1 273.380 3.329 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c2c1c(F)ccc2[O-] ZINC000834904821 634281216 /nfs/dbraw/zinc/28/12/16/634281216.db2.gz QVLIHCAGRQMYRA-JQWIXIFHSA-N 0 1 295.398 3.466 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000834913059 634285004 /nfs/dbraw/zinc/28/50/04/634285004.db2.gz GJPAROGJZLKJGQ-HFBAOOFYSA-N 0 1 271.360 3.109 20 10 CGCDMN COc1cccc(C)c1CNCc1ccc2c(c1)CCO2 ZINC000876996335 634946661 /nfs/dbraw/zinc/94/66/61/634946661.db2.gz SVWAEDFQMBAZNM-UHFFFAOYSA-N 0 1 283.371 3.228 20 10 CGCDMN C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877317283 635024659 /nfs/dbraw/zinc/02/46/59/635024659.db2.gz IBPVCPCXGCUOLJ-SNVBAGLBSA-N 0 1 278.302 3.258 20 10 CGCDMN COCCCCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840887237 635075348 /nfs/dbraw/zinc/07/53/48/635075348.db2.gz UBWKWBZNLXBCOG-UHFFFAOYSA-N 0 1 271.788 3.260 20 10 CGCDMN C[C@H](C[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O)C(=O)[O-] ZINC000840999171 635102147 /nfs/dbraw/zinc/10/21/47/635102147.db2.gz OYWWSLPLZNDEHR-CYBMUJFWSA-N 0 1 299.370 3.212 20 10 CGCDMN COc1ccc2c(c1)CN(Cc1c(C)cccc1O)C2 ZINC000877618671 635115991 /nfs/dbraw/zinc/11/59/91/635115991.db2.gz BXMGJOYQMMYNKM-UHFFFAOYSA-N 0 1 269.344 3.225 20 10 CGCDMN Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841746397 635221793 /nfs/dbraw/zinc/22/17/93/635221793.db2.gz GDSZRTFDUQBKOD-VIFPVBQESA-N 0 1 293.798 3.247 20 10 CGCDMN C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(Cl)cc1[O-] ZINC000841763356 635232918 /nfs/dbraw/zinc/23/29/18/635232918.db2.gz MVUAEYJWHNEHNB-SNVBAGLBSA-N 0 1 269.772 3.001 20 10 CGCDMN COCCCC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000841893264 635249438 /nfs/dbraw/zinc/24/94/38/635249438.db2.gz CBSGWITVJMNFRS-UHFFFAOYSA-N 0 1 273.376 3.404 20 10 CGCDMN COCCCC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000841893264 635249445 /nfs/dbraw/zinc/24/94/45/635249445.db2.gz CBSGWITVJMNFRS-UHFFFAOYSA-N 0 1 273.376 3.404 20 10 CGCDMN COc1ccc(O)c([C@H](C)NCc2scnc2Cl)c1 ZINC000878361176 635473949 /nfs/dbraw/zinc/47/39/49/635473949.db2.gz WUOQNGAKNJAVBQ-QMMMGPOBSA-N 0 1 298.795 3.362 20 10 CGCDMN COC[C@H](CC(C)C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846054758 636139370 /nfs/dbraw/zinc/13/93/70/636139370.db2.gz FRKRQYYKBUBTPY-ZDUSSCGKSA-N 0 1 271.788 3.196 20 10 CGCDMN CCc1cccc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c1O ZINC000848911193 636686558 /nfs/dbraw/zinc/68/65/58/636686558.db2.gz RKEKVKBTMHOFKR-PBHICJAKSA-N 0 1 291.435 3.470 20 10 CGCDMN CCOc1cccc(C[N@H+]2CCC[C@@H](CC)C2)c1O ZINC000132255766 636797872 /nfs/dbraw/zinc/79/78/72/636797872.db2.gz HDXBSQXTONUQMO-CYBMUJFWSA-N 0 1 263.381 3.413 20 10 CGCDMN COCC[N@H+](Cc1c(O)cccc1Cl)CC(C)C ZINC000132648014 636827860 /nfs/dbraw/zinc/82/78/60/636827860.db2.gz ALDDOYZISBZTEQ-UHFFFAOYSA-N 0 1 271.788 3.150 20 10 CGCDMN COCC[N@@H+](Cc1c([O-])cccc1Cl)CC(C)C ZINC000132648014 636827863 /nfs/dbraw/zinc/82/78/63/636827863.db2.gz ALDDOYZISBZTEQ-UHFFFAOYSA-N 0 1 271.788 3.150 20 10 CGCDMN COCC[N@H+](Cc1c([O-])cccc1Cl)CC(C)C ZINC000132648014 636827866 /nfs/dbraw/zinc/82/78/66/636827866.db2.gz ALDDOYZISBZTEQ-UHFFFAOYSA-N 0 1 271.788 3.150 20 10 CGCDMN C[C@H]1C[NH+](Cc2cc(Br)ccc2[O-])C[C@@H]1C ZINC000132756568 636835363 /nfs/dbraw/zinc/83/53/63/636835363.db2.gz LSLBPOAAYVYUQK-UWVGGRQHSA-N 0 1 284.197 3.243 20 10 CGCDMN COCC1([NH2+]Cc2cc(Cl)ccc2[O-])CCCC1 ZINC000850344961 637022215 /nfs/dbraw/zinc/02/22/15/637022215.db2.gz DFCFOKNCNZUYBI-UHFFFAOYSA-N 0 1 269.772 3.094 20 10 CGCDMN Cc1ccncc1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000850355582 637024803 /nfs/dbraw/zinc/02/48/03/637024803.db2.gz JPKCOAOCHOBZGV-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(C)C)C2)c1O ZINC000134981179 637060648 /nfs/dbraw/zinc/06/06/48/637060648.db2.gz NIFMIFGHMITVDA-GFCCVEGCSA-N 0 1 279.355 3.212 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C(C)C)C2)c1[O-] ZINC000134981179 637060652 /nfs/dbraw/zinc/06/06/52/637060652.db2.gz NIFMIFGHMITVDA-GFCCVEGCSA-N 0 1 279.355 3.212 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(C)C)C2)c1[O-] ZINC000134981179 637060655 /nfs/dbraw/zinc/06/06/55/637060655.db2.gz NIFMIFGHMITVDA-GFCCVEGCSA-N 0 1 279.355 3.212 20 10 CGCDMN CC[C@H]([NH2+][C@H](CO)C1CCC1)c1cc(Cl)ccc1[O-] ZINC000850487322 637087765 /nfs/dbraw/zinc/08/77/65/637087765.db2.gz HNEYJWJCDZYYLG-UONOGXRCSA-N 0 1 283.799 3.247 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@]12CCOC2 ZINC000886027863 637373881 /nfs/dbraw/zinc/37/38/81/637373881.db2.gz JPUAWOFVMSXKCQ-WBVHZDCISA-N 0 1 275.392 3.031 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@]12CCOC2 ZINC000886027863 637373889 /nfs/dbraw/zinc/37/38/89/637373889.db2.gz JPUAWOFVMSXKCQ-WBVHZDCISA-N 0 1 275.392 3.031 20 10 CGCDMN CC[C@H]([NH2+]CCOCCF)c1cc(Cl)ccc1[O-] ZINC000853238393 637790228 /nfs/dbraw/zinc/79/02/28/637790228.db2.gz HXOLEOZHVWOHQW-LBPRGKRZSA-N 0 1 275.751 3.072 20 10 CGCDMN C[N@H+](Cc1c(O)ccc2ccncc21)C[C@H]1CC1(C)C ZINC000853626627 637875646 /nfs/dbraw/zinc/87/56/46/637875646.db2.gz BYHYXIQWRJVKDH-CYBMUJFWSA-N 0 1 270.376 3.418 20 10 CGCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CC1(C)C ZINC000853626627 637875651 /nfs/dbraw/zinc/87/56/51/637875651.db2.gz BYHYXIQWRJVKDH-CYBMUJFWSA-N 0 1 270.376 3.418 20 10 CGCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1CC1(C)C ZINC000853626627 637875652 /nfs/dbraw/zinc/87/56/52/637875652.db2.gz BYHYXIQWRJVKDH-CYBMUJFWSA-N 0 1 270.376 3.418 20 10 CGCDMN Cc1cc(N(C)C)ccc1CNCc1cccc2c1OCO2 ZINC000115629187 638569376 /nfs/dbraw/zinc/56/93/76/638569376.db2.gz RCFPCTJJPLRWAT-UHFFFAOYSA-N 0 1 298.386 3.080 20 10 CGCDMN Cc1cc(N(C)C)ccc1CNCc1ccccc1F ZINC000115629338 638569748 /nfs/dbraw/zinc/56/97/48/638569748.db2.gz UUYKRCQDRZXGKN-UHFFFAOYSA-N 0 1 272.367 3.490 20 10 CGCDMN Cc1ccc(CNCc2ccc(N(C)C)cc2C)o1 ZINC000115629590 638569918 /nfs/dbraw/zinc/56/99/18/638569918.db2.gz ZPUJWYWVEFTHOE-UHFFFAOYSA-N 0 1 258.365 3.252 20 10 CGCDMN CN(C)c1cc(F)c(CNCc2ccccc2)cc1F ZINC000858087111 638623691 /nfs/dbraw/zinc/62/36/91/638623691.db2.gz TXHURRORMDBCEV-UHFFFAOYSA-N 0 1 276.330 3.321 20 10 CGCDMN Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)c1ncco1 ZINC000926594425 638789255 /nfs/dbraw/zinc/78/92/55/638789255.db2.gz BPTARJZFFRYIPC-KBPBESRZSA-N 0 1 287.407 3.331 20 10 CGCDMN CCO[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000155457425 639935542 /nfs/dbraw/zinc/93/55/42/639935542.db2.gz BPGDDMIEHROCIR-NSHDSACASA-N 0 1 269.772 3.047 20 10 CGCDMN CCO[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000155457425 639935550 /nfs/dbraw/zinc/93/55/50/639935550.db2.gz BPGDDMIEHROCIR-NSHDSACASA-N 0 1 269.772 3.047 20 10 CGCDMN CCO[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000155457314 639935865 /nfs/dbraw/zinc/93/58/65/639935865.db2.gz BPGDDMIEHROCIR-LLVKDONJSA-N 0 1 269.772 3.047 20 10 CGCDMN CCO[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000155457314 639935871 /nfs/dbraw/zinc/93/58/71/639935871.db2.gz BPGDDMIEHROCIR-LLVKDONJSA-N 0 1 269.772 3.047 20 10 CGCDMN CCCC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC000048995277 640078201 /nfs/dbraw/zinc/07/82/01/640078201.db2.gz OGVCNHZUESJQKX-UHFFFAOYSA-N 0 1 279.355 3.498 20 10 CGCDMN Cc1cc(O)ccc1NS(=O)(=O)c1ccccc1Cl ZINC000080358016 640469922 /nfs/dbraw/zinc/46/99/22/640469922.db2.gz PSJLFNFKUIXFBY-UHFFFAOYSA-N 0 1 297.763 3.155 20 10 CGCDMN C[C@@H](CN1CCCCC1)[NH2+]Cc1c([O-])cccc1Cl ZINC000083551838 640597125 /nfs/dbraw/zinc/59/71/25/640597125.db2.gz VQWQRKYQENTLRN-LBPRGKRZSA-N 0 1 282.815 3.010 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000083551686 640597691 /nfs/dbraw/zinc/59/76/91/640597691.db2.gz ZSXFKCNYUIJRRC-GFCCVEGCSA-N 0 1 289.762 3.139 20 10 CGCDMN CC[C@H]1COCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000091980250 640727894 /nfs/dbraw/zinc/72/78/94/640727894.db2.gz MNBLMTDWGXIHJV-KRWDZBQOSA-N 0 1 288.435 3.288 20 10 CGCDMN C[C@@H]1OCCN(Cc2ccc(N3CCCCC3)cc2)[C@H]1C ZINC000093417769 640770838 /nfs/dbraw/zinc/77/08/38/640770838.db2.gz ZFRLHTRQCZRKNS-HOTGVXAUSA-N 0 1 288.435 3.286 20 10 CGCDMN CC[C@@]1(C)CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000093459020 640772009 /nfs/dbraw/zinc/77/20/09/640772009.db2.gz MWGVLJCJRXNSEN-INIZCTEOSA-N 0 1 263.381 3.413 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)c1ccccc1F ZINC000113326131 640974664 /nfs/dbraw/zinc/97/46/64/640974664.db2.gz INXVWIUXURZTFY-HNNXBMFYSA-N 0 1 295.741 3.008 20 10 CGCDMN Oc1ccc(-c2nc3c([nH]2)c(F)c(F)cc3F)cc1O ZINC001250465053 805633987 /nfs/dbraw/zinc/63/39/87/805633987.db2.gz UYMRKRPJJIUKLF-UHFFFAOYSA-N 0 1 280.205 3.058 20 10 CGCDMN Cc1cc2nc(-c3cc(O)c(O)c(O)c3)[nH]c2cc1Cl ZINC001251248160 805870240 /nfs/dbraw/zinc/87/02/40/805870240.db2.gz BMKUNARBLDXKJC-UHFFFAOYSA-N 0 1 290.706 3.309 20 10 CGCDMN Oc1cc(-c2nc3cc(F)cc(Cl)c3[nH]2)cc(O)c1O ZINC001251248358 805871627 /nfs/dbraw/zinc/87/16/27/805871627.db2.gz NCGFHWVUXYFOSD-UHFFFAOYSA-N 0 1 294.669 3.139 20 10 CGCDMN CSCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093509536 798965995 /nfs/dbraw/zinc/96/59/95/798965995.db2.gz DUQYIINLXLVYKO-UHFFFAOYSA-N 0 1 280.220 3.494 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000381254597 799374513 /nfs/dbraw/zinc/37/45/13/799374513.db2.gz NLZYFHPPCHSVSK-LLVKDONJSA-N 0 1 290.190 3.310 20 10 CGCDMN CC1(C)CCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000388841904 799456959 /nfs/dbraw/zinc/45/69/59/799456959.db2.gz HNYMIGHCPGQHEA-LBPRGKRZSA-N 0 1 251.345 3.447 20 10 CGCDMN C[C@@H]([NH2+]CCN1CC=CCC1)c1ccc2ccccc2c1[O-] ZINC000392290764 799481152 /nfs/dbraw/zinc/48/11/52/799481152.db2.gz KMJPICFLEDGQDW-OAHLLOKOSA-N 0 1 296.414 3.458 20 10 CGCDMN CC[C@]1(C)COCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000687973289 799742294 /nfs/dbraw/zinc/74/22/94/799742294.db2.gz KYRUXTAQTPSDTK-CQSZACIVSA-N 0 1 269.772 3.047 20 10 CGCDMN CN(C)c1ccc(CNCc2ccncc2Cl)cc1 ZINC000704373638 799937699 /nfs/dbraw/zinc/93/76/99/799937699.db2.gz QLNPQWHLCCUXPH-UHFFFAOYSA-N 0 1 275.783 3.091 20 10 CGCDMN C[C@H]([NH2+]CC[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000757658690 800380872 /nfs/dbraw/zinc/38/08/72/800380872.db2.gz SLJSMBLFMDQATG-WDEREUQCSA-N 0 1 269.772 3.123 20 10 CGCDMN C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000757658639 800380888 /nfs/dbraw/zinc/38/08/88/800380888.db2.gz SLJSMBLFMDQATG-GHMZBOCLSA-N 0 1 269.772 3.123 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CCC(C3(O)CC3)CC2)cc1Cl ZINC001118640579 802592026 /nfs/dbraw/zinc/59/20/26/802592026.db2.gz KNQUSLFSDBUFST-UHFFFAOYSA-N 0 1 295.810 3.091 20 10 CGCDMN Nc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC001120268414 802737366 /nfs/dbraw/zinc/73/73/66/802737366.db2.gz DMEASZFZKZGPLN-LJQANCHMSA-N 0 1 296.414 3.102 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001137837330 803780762 /nfs/dbraw/zinc/78/07/62/803780762.db2.gz BLINJMUMIKSZTN-CQSZACIVSA-N 0 1 286.350 3.133 20 10 CGCDMN CC[N@@H+](Cc1ccccc1O)Cc1cccc2nccnc12 ZINC001138306212 803891604 /nfs/dbraw/zinc/89/16/04/803891604.db2.gz JERBGIPCOLRVGR-UHFFFAOYSA-N 0 1 293.370 3.358 20 10 CGCDMN CN1CCCc2cc(C[N@H+]3CCCC[C@H](F)C3)ccc21 ZINC001138354366 803900459 /nfs/dbraw/zinc/90/04/59/803900459.db2.gz HCSWSBRCFDGMHR-INIZCTEOSA-N 0 1 276.399 3.393 20 10 CGCDMN CCC(CC)[N@@H+](C)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139130950 804134569 /nfs/dbraw/zinc/13/45/69/804134569.db2.gz KTZRGCAVBZBJNR-UHFFFAOYSA-N 0 1 289.375 3.427 20 10 CGCDMN Cc1cc(O)cc(C)c1C[N@@H+](C)Cc1ccccc1O ZINC001139716173 804264140 /nfs/dbraw/zinc/26/41/40/804264140.db2.gz RXGZQJILKLQCDD-UHFFFAOYSA-N 0 1 271.360 3.347 20 10 CGCDMN Oc1ccc(F)cc1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001140056169 804363466 /nfs/dbraw/zinc/36/34/66/804363466.db2.gz KJFHDVYOIASOAH-UHFFFAOYSA-N 0 1 279.355 3.065 20 10 CGCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cccc(F)n1 ZINC001140135821 804384918 /nfs/dbraw/zinc/38/49/18/804384918.db2.gz UNLAFWWBDZIRBY-UHFFFAOYSA-N 0 1 287.382 3.309 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001140337907 804418771 /nfs/dbraw/zinc/41/87/71/804418771.db2.gz MGWPHOFKIAMEGK-LBPRGKRZSA-N 0 1 295.810 3.030 20 10 CGCDMN C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)C2(CC2)C1 ZINC001140342194 804420890 /nfs/dbraw/zinc/42/08/90/804420890.db2.gz WVFQTYYOCWGGOL-SNVBAGLBSA-N 0 1 251.757 3.420 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C2(CC2)C1 ZINC001140342194 804420892 /nfs/dbraw/zinc/42/08/92/804420892.db2.gz WVFQTYYOCWGGOL-SNVBAGLBSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001140467282 804442672 /nfs/dbraw/zinc/44/26/72/804442672.db2.gz UFSZUAQJGXJWGB-GFCCVEGCSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001140467282 804442676 /nfs/dbraw/zinc/44/26/76/804442676.db2.gz UFSZUAQJGXJWGB-GFCCVEGCSA-N 0 1 288.778 3.430 20 10 CGCDMN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140583248 804466266 /nfs/dbraw/zinc/46/62/66/804466266.db2.gz BCGHUSLTAZAFGK-AWEZNQCLSA-N 0 1 285.334 3.060 20 10 CGCDMN CC[C@H]1CCC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583788 804467966 /nfs/dbraw/zinc/46/79/66/804467966.db2.gz SMSAFJMJOXPDGA-JTQLQIEISA-N 0 1 255.308 3.292 20 10 CGCDMN CC[C@@H]1CCC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583789 804468386 /nfs/dbraw/zinc/46/83/86/804468386.db2.gz SMSAFJMJOXPDGA-SNVBAGLBSA-N 0 1 255.308 3.292 20 10 CGCDMN Cc1cc([C@@H]2CCCN2Cc2ccc(O)c(C)c2O)no1 ZINC001140742158 804502438 /nfs/dbraw/zinc/50/24/38/804502438.db2.gz JCHCNZNKAWXAHK-AWEZNQCLSA-N 0 1 288.347 3.040 20 10 CGCDMN CN(C)c1ccc(CN2CCC[C@H]3C[C@H]32)c(Cl)c1 ZINC001140926676 804550966 /nfs/dbraw/zinc/55/09/66/804550966.db2.gz PPTVHUMJYWKGHC-XHDPSFHLSA-N 0 1 264.800 3.390 20 10 CGCDMN CC(=O)c1ccc2c(c1)CN(Cc1ccc(C)cc1O)CC2 ZINC001140958024 804557626 /nfs/dbraw/zinc/55/76/26/804557626.db2.gz QALOWICHHIUNTC-UHFFFAOYSA-N 0 1 295.382 3.462 20 10 CGCDMN Cc1ncoc1CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001141054352 804580062 /nfs/dbraw/zinc/58/00/62/804580062.db2.gz LJWOWUOGKFKQJO-UHFFFAOYSA-N 0 1 285.391 3.215 20 10 CGCDMN CC(C)(C)c1cccc(C[N@H+]2CCOCC2(C)C)c1O ZINC001143110919 804803539 /nfs/dbraw/zinc/80/35/39/804803539.db2.gz STMHIKCKSSXMKP-UHFFFAOYSA-N 0 1 277.408 3.301 20 10 CGCDMN CC(C)(C)c1cccc(CN2CCOCC2(C)C)c1O ZINC001143110919 804803546 /nfs/dbraw/zinc/80/35/46/804803546.db2.gz STMHIKCKSSXMKP-UHFFFAOYSA-N 0 1 277.408 3.301 20 10 CGCDMN CCN(Cc1nc(C)c(C)s1)Cc1ccccc1O ZINC001144378617 804979742 /nfs/dbraw/zinc/97/97/42/804979742.db2.gz UMEAVHVKBUDMJG-UHFFFAOYSA-N 0 1 276.405 3.488 20 10 CGCDMN C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001180392247 809997740 /nfs/dbraw/zinc/99/77/40/809997740.db2.gz CFXCJDOETQWDAB-VIFPVBQESA-N 0 1 267.275 3.456 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC001180995585 810032075 /nfs/dbraw/zinc/03/20/75/810032075.db2.gz MEDIPAKIUGQZIB-UHFFFAOYSA-N 0 1 295.810 3.438 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC001180995585 810032082 /nfs/dbraw/zinc/03/20/82/810032082.db2.gz MEDIPAKIUGQZIB-UHFFFAOYSA-N 0 1 295.810 3.438 20 10 CGCDMN CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[O-])C12CCC2 ZINC001182249714 810100132 /nfs/dbraw/zinc/10/01/32/810100132.db2.gz GFCWBHXYCFTQBX-ZIAGYGMSSA-N 0 1 281.783 3.093 20 10 CGCDMN Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)c1 ZINC001203560835 812393319 /nfs/dbraw/zinc/39/33/19/812393319.db2.gz HICLQSKQBYVQFS-MRXNPFEDSA-N 0 1 298.386 3.139 20 10 CGCDMN CC(C)N(CC(=O)c1ccccc1)Cc1ccccc1O ZINC001203558269 812393586 /nfs/dbraw/zinc/39/35/86/812393586.db2.gz BDJIELJRWOQWJI-UHFFFAOYSA-N 0 1 283.371 3.486 20 10 CGCDMN Oc1ccccc1CN1CCc2cc(F)c(F)cc2C1 ZINC001203562048 812394694 /nfs/dbraw/zinc/39/46/94/812394694.db2.gz CCYGZNBQNHDPMU-UHFFFAOYSA-N 0 1 275.298 3.229 20 10 CGCDMN Oc1ccc(CN2CCC[C@@H](Oc3ccccc3)C2)cc1O ZINC001203879573 812478808 /nfs/dbraw/zinc/47/88/08/812478808.db2.gz SQIDKBCETYKQIC-MRXNPFEDSA-N 0 1 299.370 3.141 20 10 CGCDMN COc1ccc2c(c1)CN(Cc1ccc(O)c(O)c1)CCC2 ZINC001203881925 812479319 /nfs/dbraw/zinc/47/93/19/812479319.db2.gz YKVDSCHXOLZWLP-UHFFFAOYSA-N 0 1 299.370 3.055 20 10 CGCDMN [NH3+]C[C@H]1CCCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001204931332 812781118 /nfs/dbraw/zinc/78/11/18/812781118.db2.gz AXLXEKXONKRPEQ-SNVBAGLBSA-N 0 1 289.206 3.012 20 10 CGCDMN [NH3+][C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001205123362 812876586 /nfs/dbraw/zinc/87/65/86/812876586.db2.gz AMHGBFVSPYZSRN-SECBINFHSA-N 0 1 289.206 3.012 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+][C@H](CO)CC1CCCC1 ZINC001205527645 812995383 /nfs/dbraw/zinc/99/53/83/812995383.db2.gz ZNMHRTIRLUUHEW-AWEZNQCLSA-N 0 1 283.799 3.076 20 10 CGCDMN Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2[O-])nc1 ZINC001205632366 813034865 /nfs/dbraw/zinc/03/48/65/813034865.db2.gz FKOIXDHYYFZKDO-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN Cc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2[O-])nc1 ZINC001205632366 813034872 /nfs/dbraw/zinc/03/48/72/813034872.db2.gz FKOIXDHYYFZKDO-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN CCCC[N@@H+](CCCO)Cc1ccc(Cl)cc1[O-] ZINC001205693358 813054078 /nfs/dbraw/zinc/05/40/78/813054078.db2.gz VDFJOWQSHXOYSV-UHFFFAOYSA-N 0 1 271.788 3.030 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH+]1CC(CC2CCOCC2)C1 ZINC001207349164 813547216 /nfs/dbraw/zinc/54/72/16/813547216.db2.gz ZOPWVRLQWAGTOJ-UHFFFAOYSA-N 0 1 295.810 3.294 20 10 CGCDMN COc1cnccc1Nc1c(O)ccc2ccccc21 ZINC001211263582 814866565 /nfs/dbraw/zinc/86/65/65/814866565.db2.gz WEEDCZMMYAKIOX-UHFFFAOYSA-N 0 1 266.300 3.115 20 10 CGCDMN C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231454134 818102231 /nfs/dbraw/zinc/10/22/31/818102231.db2.gz OCOTVGTVBIDMTM-LBPRGKRZSA-N 0 1 297.354 3.037 20 10 CGCDMN Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001231590413 818129014 /nfs/dbraw/zinc/12/90/14/818129014.db2.gz YXYIXYOBWLLNKJ-GOSISDBHSA-N 0 1 283.371 3.300 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCC[C@H]1O ZINC001231588848 818130333 /nfs/dbraw/zinc/13/03/33/818130333.db2.gz WFCUSXXWIRMXEQ-SUMWQHHRSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCC[C@H]1O ZINC001231588848 818130335 /nfs/dbraw/zinc/13/03/35/818130335.db2.gz WFCUSXXWIRMXEQ-SUMWQHHRSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCC[C@H]1O ZINC001231588848 818130339 /nfs/dbraw/zinc/13/03/39/818130339.db2.gz WFCUSXXWIRMXEQ-SUMWQHHRSA-N 0 1 285.387 3.138 20 10 CGCDMN CN1C[C@H]2[C@H](C1)CCC[N@H+]2Cc1ccc2ccccc2c1O ZINC001231881567 818199472 /nfs/dbraw/zinc/19/94/72/818199472.db2.gz XAKFIVVCNWCTIG-YJBOKZPZSA-N 0 1 296.414 3.071 20 10 CGCDMN COCC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001231911922 818210114 /nfs/dbraw/zinc/21/01/14/818210114.db2.gz PSUKPCSHLDMOBD-ZDUSSCGKSA-N 0 1 283.799 3.437 20 10 CGCDMN CN(Cc1ccc(N2CCCC2)cc1)Cc1cncc(O)c1 ZINC001232042354 818239379 /nfs/dbraw/zinc/23/93/79/818239379.db2.gz QMHMHTUDGPXHDT-UHFFFAOYSA-N 0 1 297.402 3.019 20 10 CGCDMN Cc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(C)n1 ZINC001232084182 818250750 /nfs/dbraw/zinc/25/07/50/818250750.db2.gz FCFPAPLQNYCFMQ-UHFFFAOYSA-N 0 1 298.386 3.058 20 10 CGCDMN CC[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233016722 818502549 /nfs/dbraw/zinc/50/25/49/818502549.db2.gz MALBXWUWPPECNY-AWEZNQCLSA-N 0 1 287.359 3.387 20 10 CGCDMN Cc1cc(Br)cc(CN2CC[C@H]2C)c1O ZINC001233106484 818523593 /nfs/dbraw/zinc/52/35/93/818523593.db2.gz IEHVEXUWTLIXRH-SECBINFHSA-N 0 1 270.170 3.057 20 10 CGCDMN C[N@@H+](Cc1c([O-])ccc(F)c1F)C1CCCCC1 ZINC001233331976 818581922 /nfs/dbraw/zinc/58/19/22/818581922.db2.gz SEVRFJSPBONKAY-UHFFFAOYSA-N 0 1 255.308 3.435 20 10 CGCDMN CO[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451401 818623120 /nfs/dbraw/zinc/62/31/20/818623120.db2.gz JFROAWAGMFTPOF-GFCCVEGCSA-N 0 1 289.297 3.022 20 10 CGCDMN CO[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451401 818623124 /nfs/dbraw/zinc/62/31/24/818623124.db2.gz JFROAWAGMFTPOF-GFCCVEGCSA-N 0 1 289.297 3.022 20 10 CGCDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1CC2CC(C2)C1 ZINC001233455740 818625389 /nfs/dbraw/zinc/62/53/89/818625389.db2.gz WVRUFNUFAMXLNL-UHFFFAOYSA-N 0 1 271.282 3.253 20 10 CGCDMN COC1(C)CN(Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234991084 818970462 /nfs/dbraw/zinc/97/04/62/818970462.db2.gz KDFOIFFVKJFCAC-UHFFFAOYSA-N 0 1 283.371 3.280 20 10 CGCDMN Oc1c(C[N@H+]2CCCC23COC3)cccc1-c1ccccc1 ZINC001234996352 818971215 /nfs/dbraw/zinc/97/12/15/818971215.db2.gz GFVSWJMGAJDFIJ-UHFFFAOYSA-N 0 1 295.382 3.424 20 10 CGCDMN C[N@@H+](Cc1cccc(-c2ccccc2)c1O)[C@@H]1CCOC1 ZINC001234996865 818972139 /nfs/dbraw/zinc/97/21/39/818972139.db2.gz NXYMFPXGZGFBLW-MRXNPFEDSA-N 0 1 283.371 3.280 20 10 CGCDMN CN(Cc1cncnc1)Cc1ccc(C(C)(C)C)cc1O ZINC001235679574 819138777 /nfs/dbraw/zinc/13/87/77/819138777.db2.gz GGMCSVBFABSQPA-UHFFFAOYSA-N 0 1 285.391 3.112 20 10 CGCDMN CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235681157 819140394 /nfs/dbraw/zinc/14/03/94/819140394.db2.gz YVJQDLWZYDPULF-AWEZNQCLSA-N 0 1 289.419 3.491 20 10 CGCDMN CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c(O)c1 ZINC001235680631 819140475 /nfs/dbraw/zinc/14/04/75/819140475.db2.gz WGKULSRXOGIEKB-WMLDXEAASA-N 0 1 289.419 3.301 20 10 CGCDMN C[C@H]1CC[C@H]([NH3+])CN1Cc1c([O-])ccc(Cl)c1Cl ZINC001235891839 819200208 /nfs/dbraw/zinc/20/02/08/819200208.db2.gz JTKAJAOXVYHJPU-IUCAKERBSA-N 0 1 289.206 3.011 20 10 CGCDMN C[C@@H]1[C@@H]([NH3+])CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236416750 819462549 /nfs/dbraw/zinc/46/25/49/819462549.db2.gz CKGSRRIZAYOKRV-PELKAZGASA-N 0 1 289.206 3.011 20 10 CGCDMN OCC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236830493 819611846 /nfs/dbraw/zinc/61/18/46/819611846.db2.gz AYWGYXXUJMFXRS-AWEZNQCLSA-N 0 1 285.387 3.140 20 10 CGCDMN [O-]c1cc2ccccc2cc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC001236830493 819611848 /nfs/dbraw/zinc/61/18/48/819611848.db2.gz AYWGYXXUJMFXRS-AWEZNQCLSA-N 0 1 285.387 3.140 20 10 CGCDMN [O-]c1cc2ccccc2cc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC001236830493 819611851 /nfs/dbraw/zinc/61/18/51/819611851.db2.gz AYWGYXXUJMFXRS-AWEZNQCLSA-N 0 1 285.387 3.140 20 10 CGCDMN CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c(O)c1 ZINC001237049829 819652465 /nfs/dbraw/zinc/65/24/65/819652465.db2.gz LKGTWHKKJMGSNG-KGLIPLIRSA-N 0 1 275.392 3.413 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)CCCO1 ZINC001237077833 819659637 /nfs/dbraw/zinc/65/96/37/819659637.db2.gz KSATZVJLLCEBOQ-VIFPVBQESA-N 0 1 290.190 3.310 20 10 CGCDMN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCCC[C@@H]1CO ZINC001237077486 819660108 /nfs/dbraw/zinc/66/01/08/819660108.db2.gz ICXBPUDCJKQUDV-SECBINFHSA-N 0 1 290.190 3.046 20 10 CGCDMN Oc1cccc(OC(F)(F)F)c1CN1CCC[C@@H]2C[C@@H]21 ZINC001237116005 819672038 /nfs/dbraw/zinc/67/20/38/819672038.db2.gz VTELQJDJXIOLJW-KOLCDFICSA-N 0 1 287.281 3.275 20 10 CGCDMN CCCO[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237803329 819844653 /nfs/dbraw/zinc/84/46/53/819844653.db2.gz SLTIKTWAVCUUEO-GFCCVEGCSA-N 0 1 287.762 3.186 20 10 CGCDMN Oc1cc(Cl)c(F)cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001237934735 819885537 /nfs/dbraw/zinc/88/55/37/819885537.db2.gz NKUKKLWTPAMISA-AOOOYVTPSA-N 0 1 269.747 3.417 20 10 CGCDMN Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](C)CC2)c1O ZINC001238060121 819920354 /nfs/dbraw/zinc/92/03/54/819920354.db2.gz FHNZATJTSBUDLD-LLVKDONJSA-N 0 1 251.345 3.462 20 10 CGCDMN Cc1cc(F)cc(CN(C)Cc2cnc3ccccn23)c1O ZINC001238065204 819920946 /nfs/dbraw/zinc/92/09/46/819920946.db2.gz RYKLJSVSOKSJIW-UHFFFAOYSA-N 0 1 299.349 3.119 20 10 CGCDMN Cc1cc2cc(-c3nccc4c3ccn4C)cnc2[nH]1 ZINC001240471878 821078287 /nfs/dbraw/zinc/07/82/87/821078287.db2.gz CTBPDNCRESTWNE-UHFFFAOYSA-N 0 1 262.316 3.425 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC001462387436 937637230 /nfs/dbraw/zinc/63/72/30/937637230.db2.gz PPQVIXQHILDKAE-HUUCEWRRSA-N 0 1 294.826 3.152 20 10 CGCDMN CC1(C)[C@H](C[NH2+]Cc2ccc(Cl)cc2[O-])C1(F)F ZINC001462453830 937642595 /nfs/dbraw/zinc/64/25/95/937642595.db2.gz PYIRNKAOGULTOV-NSHDSACASA-N 0 1 275.726 3.427 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC001308956815 933212829 /nfs/dbraw/zinc/21/28/29/933212829.db2.gz RYQKPBAKEKVHFJ-AWEZNQCLSA-N 0 1 283.799 3.076 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC001308961664 933213976 /nfs/dbraw/zinc/21/39/76/933213976.db2.gz ZVPGSXJYHGYCHY-UKRRQHHQSA-N 0 1 281.783 3.093 20 10 CGCDMN CC[C@@H](NCc1ccc(F)c(F)c1O)C(F)(F)F ZINC001474761580 934206548 /nfs/dbraw/zinc/20/65/48/934206548.db2.gz BBFZRHCJIQVPQE-MRVPVSSYSA-N 0 1 269.213 3.101 20 10 CGCDMN CCN(C)c1ccc(CN2CCc3c(O)cccc3C2)cc1 ZINC001473696034 937817552 /nfs/dbraw/zinc/81/75/52/937817552.db2.gz CVQSBTGOHWFXIZ-UHFFFAOYSA-N 0 1 296.414 3.407 20 10 CGCDMN C[C@@H]1SCC[N@H+](Cc2ccc(Cl)cc2[O-])[C@H]1C ZINC001474369534 937855087 /nfs/dbraw/zinc/85/50/87/937855087.db2.gz MNPIWEDAZZRZJP-UWVGGRQHSA-N 0 1 271.813 3.371 20 10 CGCDMN C[C@@H]1SCC[N@@H+](Cc2ccc(Cl)cc2[O-])[C@H]1C ZINC001474369534 937855089 /nfs/dbraw/zinc/85/50/89/937855089.db2.gz MNPIWEDAZZRZJP-UWVGGRQHSA-N 0 1 271.813 3.371 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001603106678 972180218 /nfs/dbraw/zinc/18/02/18/972180218.db2.gz BRFJSVUYTQIWRW-WFASDCNBSA-N 0 1 291.391 3.058 20 10 CGCDMN Cc1ccc(O)c(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000135046961 958881166 /nfs/dbraw/zinc/88/11/66/958881166.db2.gz KPMZJTNWKNPSCK-AWEZNQCLSA-N 0 1 291.391 3.023 20 10 CGCDMN CC[C@@H]1CC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC001595467926 981157032 /nfs/dbraw/zinc/15/70/32/981157032.db2.gz JJURJNQYECKESD-GFCCVEGCSA-N 0 1 285.343 3.228 20 10 CGCDMN C[N@H+](Cc1c([O-])cccc1Cl)[C@@H](CO)c1ccccc1 ZINC000295097444 372691581 /nfs/dbraw/zinc/69/15/81/372691581.db2.gz SGKQKBDVALZXOM-HNNXBMFYSA-N 0 1 291.778 3.211 20 10 CGCDMN C[N@@H+](Cc1c([O-])cccc1Cl)[C@@H](CO)c1ccccc1 ZINC000295097444 372691589 /nfs/dbraw/zinc/69/15/89/372691589.db2.gz SGKQKBDVALZXOM-HNNXBMFYSA-N 0 1 291.778 3.211 20 10 CGCDMN CN(Cc1c(O)cccc1Cl)[C@@H](CO)c1ccccc1 ZINC000295097444 372691593 /nfs/dbraw/zinc/69/15/93/372691593.db2.gz SGKQKBDVALZXOM-HNNXBMFYSA-N 0 1 291.778 3.211 20 10 CGCDMN CCOc1ccc(O)c(CN2CCC[C@](C)(F)C2)c1 ZINC000296077165 373015055 /nfs/dbraw/zinc/01/50/55/373015055.db2.gz QGDBQJMARHXZNI-HNNXBMFYSA-N 0 1 267.344 3.115 20 10 CGCDMN COc1ccc(N(C)Cc2cn[nH]c2C)cc1Cl ZINC000180770736 374044877 /nfs/dbraw/zinc/04/48/77/374044877.db2.gz OHJUBBRVQWMLGB-UHFFFAOYSA-N 0 1 265.744 3.017 20 10 CGCDMN COc1ccc(O)c(CNC2(c3ccccc3F)CC2)c1 ZINC000182400088 374269643 /nfs/dbraw/zinc/26/96/43/374269643.db2.gz PDLJACYXJOORBQ-UHFFFAOYSA-N 0 1 287.334 3.319 20 10 CGCDMN C[C@H](CCO)C1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCC1 ZINC000273445309 378746551 /nfs/dbraw/zinc/74/65/51/378746551.db2.gz DYCHITSDCHCCKS-OLZOCXBDSA-N 0 1 295.398 3.371 20 10 CGCDMN C[C@@H]([NH2+]CC1(CCO)CCCC1)c1cc(F)ccc1[O-] ZINC000273590431 378754649 /nfs/dbraw/zinc/75/46/49/378754649.db2.gz OZNQDGMZDMMISN-GFCCVEGCSA-N 0 1 281.371 3.125 20 10 CGCDMN C[N@@H+](CCc1ccccn1)Cc1cccc(Cl)c1[O-] ZINC000120813735 392403327 /nfs/dbraw/zinc/40/33/27/392403327.db2.gz KGZQJZDUPLEDCO-UHFFFAOYSA-N 0 1 276.767 3.115 20 10 CGCDMN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372176461 392591285 /nfs/dbraw/zinc/59/12/85/392591285.db2.gz SESAFGJLLRIVJM-HZPDHXFCSA-N 0 1 297.398 3.404 20 10 CGCDMN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372176461 392591288 /nfs/dbraw/zinc/59/12/88/392591288.db2.gz SESAFGJLLRIVJM-HZPDHXFCSA-N 0 1 297.398 3.404 20 10 CGCDMN Cc1c([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cnn1C ZINC000185001793 262036775 /nfs/dbraw/zinc/03/67/75/262036775.db2.gz CWOJLBSJIFATIF-ZJUUUORDSA-N 0 1 293.798 3.499 20 10 CGCDMN Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000272273981 263003058 /nfs/dbraw/zinc/00/30/58/263003058.db2.gz LUKGSCJPQLMBPF-HNNXBMFYSA-N 0 1 274.339 3.207 20 10 CGCDMN CC[C@H](N[C@H](C)c1nnc(C)s1)c1ccccc1O ZINC000274793723 328010926 /nfs/dbraw/zinc/01/09/26/328010926.db2.gz SOXBSBKMEYFEHX-SKDRFNHKSA-N 0 1 277.393 3.354 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H]2CCCOC2)c(Cl)c1 ZINC000527739609 330282651 /nfs/dbraw/zinc/28/26/51/330282651.db2.gz PFZOTAMQUFKFSL-LBPRGKRZSA-N 0 1 283.799 3.260 20 10 CGCDMN COc1cccc(CN[C@@H](C)c2ncc(C)s2)c1O ZINC000134907045 334107778 /nfs/dbraw/zinc/10/77/78/334107778.db2.gz XNGZUOQJOTWGER-JTQLQIEISA-N 0 1 278.377 3.017 20 10 CGCDMN CCOC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000126579312 520118322 /nfs/dbraw/zinc/11/83/22/520118322.db2.gz YNQGSPBFHBZHAQ-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN CCOC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000126579312 520118327 /nfs/dbraw/zinc/11/83/27/520118327.db2.gz YNQGSPBFHBZHAQ-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN COc1cc(Cl)cc(C[N@H+](C)CC(C)C)c1[O-] ZINC000228591635 522535486 /nfs/dbraw/zinc/53/54/86/522535486.db2.gz VZSUEJWYXJGCIQ-UHFFFAOYSA-N 0 1 257.761 3.142 20 10 CGCDMN COc1cc(Cl)cc(C[N@@H+](C)CC(C)C)c1[O-] ZINC000228591635 522535494 /nfs/dbraw/zinc/53/54/94/522535494.db2.gz VZSUEJWYXJGCIQ-UHFFFAOYSA-N 0 1 257.761 3.142 20 10 CGCDMN Cc1ccc(O)c([C@H](C)NCc2cn3ccsc3n2)c1 ZINC000273401735 525364625 /nfs/dbraw/zinc/36/46/25/525364625.db2.gz NFWXXIBXFOCKNO-NSHDSACASA-N 0 1 287.388 3.261 20 10 CGCDMN [O-]c1c(F)cccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000290471202 526328974 /nfs/dbraw/zinc/32/89/74/526328974.db2.gz NNBKRNZZHLSNBT-UHFFFAOYSA-N 0 1 272.323 3.091 20 10 CGCDMN CCCC(O)(CCC)C[NH2+]Cc1c([O-])cccc1Cl ZINC000738436404 572375264 /nfs/dbraw/zinc/37/52/64/572375264.db2.gz VJYHTGFYQRQCDW-UHFFFAOYSA-N 0 1 285.815 3.467 20 10 CGCDMN COc1cccc(O)c1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000725847286 572439760 /nfs/dbraw/zinc/43/97/60/572439760.db2.gz YMKYLSHFYOWSOU-WCQYABFASA-N 0 1 287.359 3.407 20 10 CGCDMN CCC[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1O ZINC000737020164 572839992 /nfs/dbraw/zinc/83/99/92/572839992.db2.gz SDRBIFYWCXITID-UHFFFAOYSA-N 0 1 289.331 3.096 20 10 CGCDMN C/C(=C\C[N@@H+](Cc1ccccc1O)C1CCCC1)C(=O)[O-] ZINC000825729818 601166667 /nfs/dbraw/zinc/16/66/67/601166667.db2.gz NCGUUXGFJVYNOC-JLHYYAGUSA-N 0 1 289.375 3.168 20 10 CGCDMN COC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000307790894 618079011 /nfs/dbraw/zinc/07/90/11/618079011.db2.gz VMUCQAOSWRVMGL-GFCCVEGCSA-N 0 1 269.772 3.047 20 10 CGCDMN Cc1nn(C(C)C)c(C)c1CNCc1ccc2c(c1)CCO2 ZINC000892794360 618937309 /nfs/dbraw/zinc/93/73/09/618937309.db2.gz SJJPDAIGHRLRJL-UHFFFAOYSA-N 0 1 299.418 3.306 20 10 CGCDMN Cc1cc(Cl)cc(CN2C[C@H](C)OC(C)(C)C2)c1O ZINC000775663025 619084507 /nfs/dbraw/zinc/08/45/07/619084507.db2.gz YJPOREMLKKWWHP-NSHDSACASA-N 0 1 283.799 3.353 20 10 CGCDMN Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])nc1C ZINC000313965795 619206413 /nfs/dbraw/zinc/20/64/13/619206413.db2.gz SFSQVGZODFZSQP-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN CC[N@@H+](Cc1ccoc1)Cc1cc(F)cc(F)c1[O-] ZINC000893993678 619345620 /nfs/dbraw/zinc/34/56/20/619345620.db2.gz SKQWWSFNOPVGMS-UHFFFAOYSA-N 0 1 267.275 3.286 20 10 CGCDMN C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894448874 619541799 /nfs/dbraw/zinc/54/17/99/619541799.db2.gz KWYWPHYUQBDSHY-JTQLQIEISA-N 0 1 278.302 3.258 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000894762315 619629086 /nfs/dbraw/zinc/62/90/86/619629086.db2.gz VRWXJUGAVGWRRL-HNNXBMFYSA-N 0 1 290.313 3.403 20 10 CGCDMN CC1(C)CC2(CC([NH2+]Cc3cc(Cl)ccc3[O-])C2)CO1 ZINC000895156724 619759322 /nfs/dbraw/zinc/75/93/22/619759322.db2.gz ZMRYFKYHMGOXGK-UHFFFAOYSA-N 0 1 295.810 3.483 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cc1Cl ZINC000895777011 619883908 /nfs/dbraw/zinc/88/39/08/619883908.db2.gz OMYPEKFCOWSNEZ-TXEJJXNPSA-N 0 1 283.824 3.149 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc1Cl ZINC000895777011 619883911 /nfs/dbraw/zinc/88/39/11/619883911.db2.gz OMYPEKFCOWSNEZ-TXEJJXNPSA-N 0 1 283.824 3.149 20 10 CGCDMN C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841753567 620390226 /nfs/dbraw/zinc/39/02/26/620390226.db2.gz DYGANWHWYQLKEI-JTQLQIEISA-N 0 1 299.798 3.428 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc2ccccc2c1[O-] ZINC000903287999 621670610 /nfs/dbraw/zinc/67/06/10/621670610.db2.gz UZXYFNMTYPKTFV-BFACEXSVSA-N 0 1 295.382 3.372 20 10 CGCDMN C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc2ccccc2c1[O-] ZINC000903407085 621730971 /nfs/dbraw/zinc/73/09/71/621730971.db2.gz MMDVJTVAYHMXMD-SJKOYZFVSA-N 0 1 285.387 3.357 20 10 CGCDMN CN(C)c1ccc(CN[C@H]2COCc3ccccc32)cc1 ZINC000225980810 622935820 /nfs/dbraw/zinc/93/58/20/622935820.db2.gz ZJCJINGVXGTLNU-SFHVURJKSA-N 0 1 282.387 3.114 20 10 CGCDMN C[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226586482 622985605 /nfs/dbraw/zinc/98/56/05/622985605.db2.gz AQKJSTUCCUUWNZ-RYUDHWBXSA-N 0 1 251.345 3.447 20 10 CGCDMN COC1(c2ccccc2)CN(Cc2cc(C)ccc2O)C1 ZINC000839100046 626313921 /nfs/dbraw/zinc/31/39/21/626313921.db2.gz QTBNZFFEVCRVEZ-UHFFFAOYSA-N 0 1 283.371 3.058 20 10 CGCDMN CCOc1cccc(CN2CC(CC(F)(F)F)C2)c1O ZINC000839137280 626322549 /nfs/dbraw/zinc/32/25/49/626322549.db2.gz CIWUIIQNXZWQGJ-UHFFFAOYSA-N 0 1 289.297 3.175 20 10 CGCDMN CCn1nccc1CNCc1ccc(N2CCCCC2)cc1 ZINC000753848902 626467671 /nfs/dbraw/zinc/46/76/71/626467671.db2.gz NRDLXQWGWBNNPR-UHFFFAOYSA-N 0 1 298.434 3.183 20 10 CGCDMN Cc1ccc2nc(CN[C@@H](C)c3cc(F)ccc3O)cn2c1 ZINC000756534041 626713054 /nfs/dbraw/zinc/71/30/54/626713054.db2.gz JYWADJZWMLMJSR-LBPRGKRZSA-N 0 1 299.349 3.338 20 10 CGCDMN CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756576805 626717556 /nfs/dbraw/zinc/71/75/56/626717556.db2.gz PARDEROACAMPFW-ZIBATOQPSA-N 0 1 285.815 3.493 20 10 CGCDMN CO[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(C)C ZINC000756628910 626722135 /nfs/dbraw/zinc/72/21/35/626722135.db2.gz YRASXUKXOYDVNX-QMTHXVAHSA-N 0 1 271.788 3.367 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000758558529 626849134 /nfs/dbraw/zinc/84/91/34/626849134.db2.gz HFKDPICDVODPNP-ZDUSSCGKSA-N 0 1 289.762 3.008 20 10 CGCDMN CCOc1ccc(CN2CCc3ccc(O)cc3C2)c(O)c1 ZINC000768869199 627504588 /nfs/dbraw/zinc/50/45/88/627504588.db2.gz QTTKXTCVHFFNKS-UHFFFAOYSA-N 0 1 299.370 3.055 20 10 CGCDMN COc1cccc(O)c1CN1CCOc2ccccc2[C@H]1C ZINC000768930683 627509898 /nfs/dbraw/zinc/50/98/98/627509898.db2.gz OEPGDHLDGSQKFT-CYBMUJFWSA-N 0 1 299.370 3.356 20 10 CGCDMN Cc1cccc(CN(C)Cc2ccc(N(C)C)c(F)c2)n1 ZINC000769482015 627559190 /nfs/dbraw/zinc/55/91/90/627559190.db2.gz XTBXGNZVJANOEP-UHFFFAOYSA-N 0 1 287.382 3.227 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770285279 627611650 /nfs/dbraw/zinc/61/16/50/627611650.db2.gz FPQDERKVJJMZTA-FZMZJTMJSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770285279 627611652 /nfs/dbraw/zinc/61/16/52/627611652.db2.gz FPQDERKVJJMZTA-FZMZJTMJSA-N 0 1 281.783 3.047 20 10 CGCDMN CC[C@H]([NH2+]CCCn1ccnc1)c1cc(Cl)ccc1[O-] ZINC000775483188 628098462 /nfs/dbraw/zinc/09/84/62/628098462.db2.gz ORKSYGPWXXOCEH-AWEZNQCLSA-N 0 1 293.798 3.373 20 10 CGCDMN CC[C@H]([NH2+]CCc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000775491774 628100568 /nfs/dbraw/zinc/10/05/68/628100568.db2.gz JHCDDOXMIOSKRR-AWEZNQCLSA-N 0 1 293.798 3.063 20 10 CGCDMN CC[C@H](C)[C@H](O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503420 628101757 /nfs/dbraw/zinc/10/17/57/628101757.db2.gz IEYJXUDFPQXONC-VZJVUDMVSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cc(Cl)ccc1[O-] ZINC000775510272 628102409 /nfs/dbraw/zinc/10/24/09/628102409.db2.gz ZKSKMBZGFUORCB-MJVIPROJSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](C)CCO)c1cc(Cl)ccc1[O-] ZINC000775514325 628102958 /nfs/dbraw/zinc/10/29/58/628102958.db2.gz ZACPOGKAOZSIGX-GXFFZTMASA-N 0 1 271.788 3.105 20 10 CGCDMN CC[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1cc(Cl)ccc1[O-] ZINC000775508783 628102962 /nfs/dbraw/zinc/10/29/62/628102962.db2.gz GNEIGFLUQZQJQT-CYBMUJFWSA-N 0 1 279.771 3.318 20 10 CGCDMN CCC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000775707404 628127686 /nfs/dbraw/zinc/12/76/86/628127686.db2.gz IENMXPCLTFQLTF-LBPRGKRZSA-N 0 1 287.762 3.186 20 10 CGCDMN COc1ccc(O)c(CN2CC[C@H]2c2cccc(F)c2)c1 ZINC000775723575 628129123 /nfs/dbraw/zinc/12/91/23/628129123.db2.gz BNSHXBYPMJCTRF-INIZCTEOSA-N 0 1 287.334 3.487 20 10 CGCDMN Cc1cc(Cl)cc(C[N@H+]2CCOCC23CCCC3)c1O ZINC000775734484 628130664 /nfs/dbraw/zinc/13/06/64/628130664.db2.gz QWOITUSFEWSQGJ-UHFFFAOYSA-N 0 1 295.810 3.499 20 10 CGCDMN Cc1cc(Cl)cc(CN2CCOCC23CCCC3)c1O ZINC000775734484 628130666 /nfs/dbraw/zinc/13/06/66/628130666.db2.gz QWOITUSFEWSQGJ-UHFFFAOYSA-N 0 1 295.810 3.499 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000775736031 628130947 /nfs/dbraw/zinc/13/09/47/628130947.db2.gz JLWVDBCWHHHCCS-OCCSQVGLSA-N 0 1 281.783 3.047 20 10 CGCDMN CCOc1ccc(C[N@@H+]2CCCC[C@@H](C)C2)c([O-])c1 ZINC000775995480 628156801 /nfs/dbraw/zinc/15/68/01/628156801.db2.gz DXENVRYZHCOGEZ-CYBMUJFWSA-N 0 1 263.381 3.413 20 10 CGCDMN CCOc1ccc(C[N@H+]2CCCC[C@@H](C)C2)c([O-])c1 ZINC000775995480 628156803 /nfs/dbraw/zinc/15/68/03/628156803.db2.gz DXENVRYZHCOGEZ-CYBMUJFWSA-N 0 1 263.381 3.413 20 10 CGCDMN Cc1nnc(CN[C@@H](C)c2c(C)cc(C)cc2O)s1 ZINC000788732908 629077262 /nfs/dbraw/zinc/07/72/62/629077262.db2.gz GULLCZLTXYDBAF-JTQLQIEISA-N 0 1 277.393 3.020 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1Cl ZINC000862529541 629391662 /nfs/dbraw/zinc/39/16/62/629391662.db2.gz MMPQFUIRHVUDMI-WFASDCNBSA-N 0 1 281.783 3.011 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)ccc2ccccc21 ZINC000862530064 629392636 /nfs/dbraw/zinc/39/26/36/629392636.db2.gz ULJBEGDYHSIFHD-RDJZCZTQSA-N 0 1 283.371 3.203 20 10 CGCDMN CC1=CCCN(Cc2cc(Br)ccc2O)C1 ZINC000798090421 630021518 /nfs/dbraw/zinc/02/15/18/630021518.db2.gz KUOCERDDUCOWJC-UHFFFAOYSA-N 0 1 282.181 3.307 20 10 CGCDMN c1cnc2c(c1)CCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000798925869 630125955 /nfs/dbraw/zinc/12/59/55/630125955.db2.gz DUPQCVRKLMMVIG-MRXNPFEDSA-N 0 1 280.371 3.184 20 10 CGCDMN COc1cccc(O)c1CNCc1cc(C)cc(Cl)n1 ZINC000800285507 630261393 /nfs/dbraw/zinc/26/13/93/630261393.db2.gz KPMHKZJFDNIEAU-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)CN(C)C)c1cc(Cl)ccc1[O-] ZINC000806170454 630553209 /nfs/dbraw/zinc/55/32/09/630553209.db2.gz UEIJTRSMNSCLMC-GWCFXTLKSA-N 0 1 270.804 3.036 20 10 CGCDMN COc1cc(CN2CCC[C@@](C)(F)C2)c(O)cc1C ZINC000840097807 630592112 /nfs/dbraw/zinc/59/21/12/630592112.db2.gz DSXCYUAWWYTYQL-OAHLLOKOSA-N 0 1 267.344 3.033 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)C[C@H](C)O)c1[O-] ZINC000808697742 630666582 /nfs/dbraw/zinc/66/65/82/630666582.db2.gz SOIJZFVEBQNLJY-USWWRNFRSA-N 0 1 285.815 3.412 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)CCO)c1[O-] ZINC000808700965 630666643 /nfs/dbraw/zinc/66/66/43/630666643.db2.gz UUCFQBXJVKAAPB-LLVKDONJSA-N 0 1 285.815 3.413 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)CO)c1[O-] ZINC000808708794 630667567 /nfs/dbraw/zinc/66/75/67/630667567.db2.gz QMXGDICTJVIAIN-JTQLQIEISA-N 0 1 271.788 3.023 20 10 CGCDMN Oc1ccc(F)cc1CNc1cc2c(cn1)CCCC2 ZINC000812782030 631306765 /nfs/dbraw/zinc/30/67/65/631306765.db2.gz MGAJFWOGRNHLKC-UHFFFAOYSA-N 0 1 272.323 3.417 20 10 CGCDMN C[C@@H]1CN(Cc2cc(F)ccc2O)Cc2ccccc2O1 ZINC000814177579 631538567 /nfs/dbraw/zinc/53/85/67/631538567.db2.gz HLCNAMRJOWLSCC-GFCCVEGCSA-N 0 1 287.334 3.314 20 10 CGCDMN CC[C@H]1CC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000814179016 631540014 /nfs/dbraw/zinc/54/00/14/631540014.db2.gz MYYIKNXJXONFEO-NSHDSACASA-N 0 1 284.197 3.447 20 10 CGCDMN CC1(C)CCC[C@]1(O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000815146727 631729542 /nfs/dbraw/zinc/72/95/42/631729542.db2.gz JZZGFTBFYNDHLH-HNNXBMFYSA-N 0 1 283.799 3.076 20 10 CGCDMN C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816513207 631999422 /nfs/dbraw/zinc/99/94/22/631999422.db2.gz JWKZZCFUQSCTMM-CZUORRHYSA-N 0 1 285.387 3.281 20 10 CGCDMN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816513207 631999432 /nfs/dbraw/zinc/99/94/32/631999432.db2.gz JWKZZCFUQSCTMM-CZUORRHYSA-N 0 1 285.387 3.281 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H]2CCN(CC3CC3)C2)ccc2ccccc21 ZINC000816549303 632008490 /nfs/dbraw/zinc/00/84/90/632008490.db2.gz JVTMRZXCQQPMQW-QGZVFWFLSA-N 0 1 296.414 3.119 20 10 CGCDMN COc1ccncc1CNCc1cc(Cl)cc(C)c1O ZINC000816618695 632025067 /nfs/dbraw/zinc/02/50/67/632025067.db2.gz FQRFLHAFIOWUHZ-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN CCCN(Cc1ccccc1O)Cc1ccncc1F ZINC000823423623 633102497 /nfs/dbraw/zinc/10/24/97/633102497.db2.gz LPAZMQZHAAGESS-UHFFFAOYSA-N 0 1 274.339 3.339 20 10 CGCDMN C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc2ccccc2c1[O-] ZINC000866443144 633134051 /nfs/dbraw/zinc/13/40/51/633134051.db2.gz WRBWTSNWWVIJHE-HZMBPMFUSA-N 0 1 295.329 3.212 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cc(F)ccc1[O-] ZINC000866529868 633174733 /nfs/dbraw/zinc/17/47/33/633174733.db2.gz SYTHTLCSUHMSON-OLZOCXBDSA-N 0 1 293.382 3.389 20 10 CGCDMN Cc1ccc([C@H](C)NCc2nn(C)cc2C(F)F)c(O)c1 ZINC000866564832 633197063 /nfs/dbraw/zinc/19/70/63/633197063.db2.gz CQIDGVIZOYYCCH-JTQLQIEISA-N 0 1 295.333 3.223 20 10 CGCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccnn1C ZINC000866612654 633212774 /nfs/dbraw/zinc/21/27/74/633212774.db2.gz AYEVQEAVVBHKAS-UWVGGRQHSA-N 0 1 279.771 3.191 20 10 CGCDMN CC[N@@H+](Cc1ccc(Br)cc1[O-])C1CC1 ZINC000824556282 633255305 /nfs/dbraw/zinc/25/53/05/633255305.db2.gz OKIMTTPHLBUJAX-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN CC[N@H+](Cc1ccc(Br)cc1[O-])C1CC1 ZINC000824556282 633255304 /nfs/dbraw/zinc/25/53/04/633255304.db2.gz OKIMTTPHLBUJAX-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000824820252 633296587 /nfs/dbraw/zinc/29/65/87/633296587.db2.gz BXDNWWGNODCJBE-YMTOWFKASA-N 0 1 287.762 3.042 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CCc2nccs2)cc1Cl ZINC000824906646 633303775 /nfs/dbraw/zinc/30/37/75/633303775.db2.gz QZJKIZBPOABGPC-UHFFFAOYSA-N 0 1 296.823 3.485 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CCc2nccs2)cc1Cl ZINC000824906646 633303770 /nfs/dbraw/zinc/30/37/70/633303770.db2.gz QZJKIZBPOABGPC-UHFFFAOYSA-N 0 1 296.823 3.485 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](CCO)CC(C)C)cc1Cl ZINC000825320597 633344910 /nfs/dbraw/zinc/34/49/10/633344910.db2.gz NBYVSFKBTPBQBE-ZDUSSCGKSA-N 0 1 299.842 3.488 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1Cl ZINC000825338059 633346823 /nfs/dbraw/zinc/34/68/23/633346823.db2.gz RLSYRNGJYPBXLH-XPKDYRNWSA-N 0 1 295.810 3.401 20 10 CGCDMN CC1(C)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]2COC[C@@H]21 ZINC000825332301 633347318 /nfs/dbraw/zinc/34/73/18/633347318.db2.gz VIPRSYNDQHKYLN-CMPLNLGQSA-N 0 1 299.773 3.042 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(C)CCCO2)cc1Cl ZINC000825358644 633348632 /nfs/dbraw/zinc/34/86/32/633348632.db2.gz UEHOKGGOJGFQDE-AWEZNQCLSA-N 0 1 269.772 3.013 20 10 CGCDMN CC[C@](C)(C[NH2+]Cc1cc(Cl)c(C)cc1[O-])OC ZINC000826054222 633400974 /nfs/dbraw/zinc/40/09/74/633400974.db2.gz SLGQUAJQPOHZQL-CQSZACIVSA-N 0 1 271.788 3.259 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCOC2(C)C)cc1Cl ZINC000827704351 633511280 /nfs/dbraw/zinc/51/12/80/633511280.db2.gz BRLOTDXYWNASQP-GFCCVEGCSA-N 0 1 283.799 3.259 20 10 CGCDMN CCOc1cccc(F)c1CNCc1ccccc1O ZINC000873036072 634235212 /nfs/dbraw/zinc/23/52/12/634235212.db2.gz RWHINKHCMHTVFH-UHFFFAOYSA-N 0 1 275.323 3.220 20 10 CGCDMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000834768593 634239350 /nfs/dbraw/zinc/23/93/50/634239350.db2.gz CPSZDHDXMOVNKX-UONOGXRCSA-N 0 1 286.423 3.381 20 10 CGCDMN C[C@H]([NH2+]CC1=CCOCC1)c1cc(Cl)ccc1[O-] ZINC000834859867 634258107 /nfs/dbraw/zinc/25/81/07/634258107.db2.gz KYZCMTQEVCMCEK-JTQLQIEISA-N 0 1 267.756 3.043 20 10 CGCDMN Cc1ccc(O)c([C@H](C)N[C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000834892634 634270765 /nfs/dbraw/zinc/27/07/65/634270765.db2.gz CCKWGAXWSDNLMA-DYEKYZERSA-N 0 1 271.364 3.254 20 10 CGCDMN CCC1(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])COC1 ZINC000834899451 634276238 /nfs/dbraw/zinc/27/62/38/634276238.db2.gz KHWRZMQRJKBEJD-JTQLQIEISA-N 0 1 269.772 3.123 20 10 CGCDMN CCc1ncc(CN[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000834899592 634276915 /nfs/dbraw/zinc/27/69/15/634276915.db2.gz LBFHKDVTTRBXKX-GFCCVEGCSA-N 0 1 273.380 3.154 20 10 CGCDMN COc1cccnc1CN[C@H](C)c1cc(Cl)ccc1O ZINC000834906653 634282333 /nfs/dbraw/zinc/28/23/33/634282333.db2.gz RFMMAVNGZNNEAD-SNVBAGLBSA-N 0 1 292.766 3.300 20 10 CGCDMN CN(C)c1ccc(/C=C/CN(C)Cc2ccco2)cc1 ZINC000835025301 634324011 /nfs/dbraw/zinc/32/40/11/634324011.db2.gz HMOUTTGWLJFXHE-GQCTYLIASA-N 0 1 270.376 3.491 20 10 CGCDMN CC[C@H]([NH2+]CCc1cn(C)cn1)c1cc(Cl)ccc1[O-] ZINC000840767970 635049661 /nfs/dbraw/zinc/04/96/61/635049661.db2.gz XVHJMIXVEHSFBG-AWEZNQCLSA-N 0 1 293.798 3.063 20 10 CGCDMN Cc1csc(CC[NH2+]Cc2c([O-])cc(C)cc2Cl)n1 ZINC000840881418 635072359 /nfs/dbraw/zinc/07/23/59/635072359.db2.gz YTICRPQKYRFGEI-UHFFFAOYSA-N 0 1 296.823 3.451 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](C)C2)c(Cl)c1 ZINC000840908874 635080118 /nfs/dbraw/zinc/08/01/18/635080118.db2.gz YPMPVXQWZHSTLX-GHMZBOCLSA-N 0 1 269.772 3.011 20 10 CGCDMN CC[N@@H+](Cc1c([O-])cc(C)cc1Cl)C[C@H]1CCOC1 ZINC000840909445 635080263 /nfs/dbraw/zinc/08/02/63/635080263.db2.gz CAWIGKXCZUNKQL-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN CC[N@H+](Cc1c([O-])cc(C)cc1Cl)C[C@H]1CCOC1 ZINC000840909445 635080266 /nfs/dbraw/zinc/08/02/66/635080266.db2.gz CAWIGKXCZUNKQL-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN CC[C@]1(CO)CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840940184 635087198 /nfs/dbraw/zinc/08/71/98/635087198.db2.gz VUAWHMQYKSJHDM-INIZCTEOSA-N 0 1 297.826 3.339 20 10 CGCDMN CC[C@]1(CO)CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840940184 635087204 /nfs/dbraw/zinc/08/72/04/635087204.db2.gz VUAWHMQYKSJHDM-INIZCTEOSA-N 0 1 297.826 3.339 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000840952503 635092570 /nfs/dbraw/zinc/09/25/70/635092570.db2.gz BRVGYPWQKSJBCO-OCCSQVGLSA-N 0 1 295.810 3.211 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000840952503 635092572 /nfs/dbraw/zinc/09/25/72/635092572.db2.gz BRVGYPWQKSJBCO-OCCSQVGLSA-N 0 1 295.810 3.211 20 10 CGCDMN CO[C@H](C[N@H+]1Cc2cccc(O)c2C1)C1CCCCC1 ZINC000877702618 635153889 /nfs/dbraw/zinc/15/38/89/635153889.db2.gz DYKZDUIRHYMGJK-QGZVFWFLSA-N 0 1 275.392 3.303 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877739385 635174041 /nfs/dbraw/zinc/17/40/41/635174041.db2.gz SBEOAAUJJGPGMU-NWDGAFQWSA-N 0 1 283.824 3.231 20 10 CGCDMN C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(Cl)cc1[O-] ZINC000841748191 635224113 /nfs/dbraw/zinc/22/41/13/635224113.db2.gz IHFRHMQYLBBWDF-ZANVPECISA-N 0 1 291.782 3.497 20 10 CGCDMN C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752365 635225076 /nfs/dbraw/zinc/22/50/76/635225076.db2.gz ORWKAUROCFYBPL-ISBNUJHVSA-N 0 1 269.772 3.023 20 10 CGCDMN C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752368 635225083 /nfs/dbraw/zinc/22/50/83/635225083.db2.gz ORWKAUROCFYBPL-OIFMLDNNSA-N 0 1 269.772 3.023 20 10 CGCDMN C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(Cl)cc1[O-] ZINC000841752821 635227822 /nfs/dbraw/zinc/22/78/22/635227822.db2.gz CIMKVTGAFNDAKT-CKYFFXLPSA-N 0 1 269.772 3.264 20 10 CGCDMN Cc1cnc(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841759338 635232774 /nfs/dbraw/zinc/23/27/74/635232774.db2.gz YSFHYNKVGAHNKA-LLVKDONJSA-N 0 1 291.782 3.037 20 10 CGCDMN CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000843427939 635671831 /nfs/dbraw/zinc/67/18/31/635671831.db2.gz WUYCROFCSWIKKF-CZUORRHYSA-N 0 1 287.403 3.432 20 10 CGCDMN Cc1cc(CN2C[C@H](C)OCC23CCC3)ccc1N(C)C ZINC000844420444 635895375 /nfs/dbraw/zinc/89/53/75/635895375.db2.gz BHJSRUWZXDDOGL-HNNXBMFYSA-N 0 1 288.435 3.204 20 10 CGCDMN Cc1nn(C(C)C)cc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846055132 636139989 /nfs/dbraw/zinc/13/99/89/636139989.db2.gz JDQQQCIFPMCPOR-UHFFFAOYSA-N 0 1 293.798 3.421 20 10 CGCDMN COc1cc(C)nc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000846058860 636140798 /nfs/dbraw/zinc/14/07/98/636140798.db2.gz VHCYTLPZFAAVKG-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCSC1 ZINC000129237665 636199433 /nfs/dbraw/zinc/19/94/33/636199433.db2.gz RBVCUBKQNAZSKB-LLVKDONJSA-N 0 1 257.786 3.031 20 10 CGCDMN CCc1cccc(CN2CCOc3cc(O)ccc3C2)c1O ZINC000848910213 636686751 /nfs/dbraw/zinc/68/67/51/636686751.db2.gz FVHKLJGZAABRGN-UHFFFAOYSA-N 0 1 299.370 3.055 20 10 CGCDMN CCc1cccc(CNc2ccc3c(n2)CCC3)c1O ZINC000848915236 636689093 /nfs/dbraw/zinc/68/90/93/636689093.db2.gz UDSVAJYKOJJOEE-UHFFFAOYSA-N 0 1 268.360 3.450 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CC2(CC2(F)F)C1 ZINC000848922484 636692913 /nfs/dbraw/zinc/69/29/13/636692913.db2.gz UIRZMZQORGZVBE-UHFFFAOYSA-N 0 1 277.673 3.026 20 10 CGCDMN CC[C@H](C)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132518232 636814504 /nfs/dbraw/zinc/81/45/04/636814504.db2.gz HRAKQKFOFWIOBO-VIFPVBQESA-N 0 1 272.186 3.385 20 10 CGCDMN CC[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132518232 636814509 /nfs/dbraw/zinc/81/45/09/636814509.db2.gz HRAKQKFOFWIOBO-VIFPVBQESA-N 0 1 272.186 3.385 20 10 CGCDMN CCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000850554041 637118903 /nfs/dbraw/zinc/11/89/03/637118903.db2.gz HHJVDXAJCGJOII-AAEUAGOBSA-N 0 1 282.815 3.181 20 10 CGCDMN Cc1ccc([C@@H](C)NCc2cc(C3CC3)no2)c(O)c1 ZINC000886684161 637650499 /nfs/dbraw/zinc/65/04/99/637650499.db2.gz GJEYKSOCTSVATK-LLVKDONJSA-N 0 1 272.348 3.417 20 10 CGCDMN COCCN(CCF)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000853548585 637866559 /nfs/dbraw/zinc/86/65/59/637866559.db2.gz HVHLCORCZAFCOI-UHFFFAOYSA-N 0 1 297.414 3.416 20 10 CGCDMN C/C=C\C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000858538418 638757578 /nfs/dbraw/zinc/75/75/78/638757578.db2.gz UOTYBPSCGXYIAL-ZBJFTSOASA-N 0 1 270.170 3.381 20 10 CGCDMN CCCN(Cc1ccccc1O)[C@H](C)c1ncccn1 ZINC000929753129 638947141 /nfs/dbraw/zinc/94/71/41/638947141.db2.gz LYVIMWGZJVZPJT-CYBMUJFWSA-N 0 1 271.364 3.155 20 10 CGCDMN CC[C@H](NCc1csc(C)n1)c1ccccc1O ZINC000041010387 639898643 /nfs/dbraw/zinc/89/86/43/639898643.db2.gz DRULYILHJDGAFA-ZDUSSCGKSA-N 0 1 262.378 3.398 20 10 CGCDMN Cc1cc(O)c(CN(C)Cc2cnn(C)c2)cc1C(C)C ZINC000042093811 639910553 /nfs/dbraw/zinc/91/05/53/639910553.db2.gz AFVGYPFOQGMNGY-UHFFFAOYSA-N 0 1 287.407 3.190 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C(C2CC2)C2CC2)c1[O-] ZINC000079406483 640399895 /nfs/dbraw/zinc/39/98/95/640399895.db2.gz GIJZLIBKWVERAJ-UHFFFAOYSA-N 0 1 291.366 3.354 20 10 CGCDMN COc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000083551505 640597806 /nfs/dbraw/zinc/59/78/06/640597806.db2.gz DDKPGSCEGNKMNG-UHFFFAOYSA-N 0 1 277.751 3.344 20 10 CGCDMN CC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037322991 798866224 /nfs/dbraw/zinc/86/62/24/798866224.db2.gz MNYOOGHXWWNREK-AWEZNQCLSA-N 0 1 279.355 3.498 20 10 CGCDMN CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037322991 798866229 /nfs/dbraw/zinc/86/62/29/798866229.db2.gz MNYOOGHXWWNREK-AWEZNQCLSA-N 0 1 279.355 3.498 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2C)c1[O-] ZINC000037911478 798878830 /nfs/dbraw/zinc/87/88/30/798878830.db2.gz VVGUDXAPJXGXOK-SECBINFHSA-N 0 1 267.756 3.233 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C)c1[O-] ZINC000037911478 798878837 /nfs/dbraw/zinc/87/88/37/798878837.db2.gz VVGUDXAPJXGXOK-SECBINFHSA-N 0 1 267.756 3.233 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000310725017 799222535 /nfs/dbraw/zinc/22/25/35/799222535.db2.gz SXRBZSAPWFQQEF-QMMMGPOBSA-N 0 1 279.689 3.430 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000310725017 799222541 /nfs/dbraw/zinc/22/25/41/799222541.db2.gz SXRBZSAPWFQQEF-QMMMGPOBSA-N 0 1 279.689 3.430 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000383903818 799410086 /nfs/dbraw/zinc/41/00/86/799410086.db2.gz XBGWDESDJOMHTN-MRVPVSSYSA-N 0 1 261.699 3.323 20 10 CGCDMN Cc1nc(C)c(C[NH2+]Cc2cc(Cl)ccc2[O-])s1 ZINC000385648133 799427453 /nfs/dbraw/zinc/42/74/53/799427453.db2.gz AIKHSKAUIVKSFZ-UHFFFAOYSA-N 0 1 282.796 3.409 20 10 CGCDMN CCC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCOCC1 ZINC000389027181 799458675 /nfs/dbraw/zinc/45/86/75/799458675.db2.gz CHDWNRNTDYFHHQ-UHFFFAOYSA-N 0 1 283.799 3.342 20 10 CGCDMN CCOc1cccc(CN2C[C@@H](CC)O[C@H](CC)C2)c1O ZINC000398733704 799532900 /nfs/dbraw/zinc/53/29/00/799532900.db2.gz NJEOIEJDHMFRKY-HUUCEWRRSA-N 0 1 293.407 3.180 20 10 CGCDMN C[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccccn1 ZINC000692655821 799795625 /nfs/dbraw/zinc/79/56/25/799795625.db2.gz GHWDMCZQKYRSEB-LLVKDONJSA-N 0 1 276.767 3.334 20 10 CGCDMN COC[C@@H]1CCCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000696612945 799841534 /nfs/dbraw/zinc/84/15/34/799841534.db2.gz ZOZIAFLZJRQOSX-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN COC[C@@H]1CCCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000696612945 799841541 /nfs/dbraw/zinc/84/15/41/799841541.db2.gz ZOZIAFLZJRQOSX-GFCCVEGCSA-N 0 1 283.799 3.294 20 10 CGCDMN CC(C)O[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000701719964 799893773 /nfs/dbraw/zinc/89/37/73/799893773.db2.gz KKZBEMLRFAMITQ-LLVKDONJSA-N 0 1 269.772 3.045 20 10 CGCDMN CC(C)O[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000701719964 799893776 /nfs/dbraw/zinc/89/37/76/799893776.db2.gz KKZBEMLRFAMITQ-LLVKDONJSA-N 0 1 269.772 3.045 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCC1(F)CCC1 ZINC000702519404 799910035 /nfs/dbraw/zinc/91/00/35/799910035.db2.gz KCGKMIAPKBUDRU-UHFFFAOYSA-N 0 1 257.736 3.418 20 10 CGCDMN COCc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000703262485 799921676 /nfs/dbraw/zinc/92/16/76/799921676.db2.gz PWPXKQVBCWNCSA-UHFFFAOYSA-N 0 1 279.286 3.429 20 10 CGCDMN CC[C@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706809778 799967864 /nfs/dbraw/zinc/96/78/64/799967864.db2.gz MYJLASXAYBQEHX-QMMMGPOBSA-N 0 1 258.159 3.043 20 10 CGCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Br)C1(C)CC1 ZINC000706857885 799969466 /nfs/dbraw/zinc/96/94/66/799969466.db2.gz LHMYYTRUXAVLEA-VIFPVBQESA-N 0 1 284.197 3.433 20 10 CGCDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])C1CCOCC1 ZINC000716477455 800172831 /nfs/dbraw/zinc/17/28/31/800172831.db2.gz HODHPGJCNPLQAV-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCF)c1[O-] ZINC000716661205 800179435 /nfs/dbraw/zinc/17/94/35/800179435.db2.gz SHNXDESXWWUSSF-UHFFFAOYSA-N 0 1 273.735 3.040 20 10 CGCDMN C[C@H](CN1CCCc2cc(O)c(O)cc2C1)C(F)(F)F ZINC001208892062 813883556 /nfs/dbraw/zinc/88/35/56/813883556.db2.gz NHYDJVOCIODBKJ-SECBINFHSA-N 0 1 289.297 3.044 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2F)C[C@@H]1C ZINC001137831757 803777042 /nfs/dbraw/zinc/77/70/42/803777042.db2.gz MKJSONBQXXXGDH-NEPJUHHUSA-N 0 1 251.345 3.399 20 10 CGCDMN C[C@]1(F)CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC001138122673 803864346 /nfs/dbraw/zinc/86/43/46/803864346.db2.gz UEUHDMYQVVBLGW-AWEZNQCLSA-N 0 1 255.308 3.245 20 10 CGCDMN CC(=O)[C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1 ZINC001138222267 803874436 /nfs/dbraw/zinc/87/44/36/803874436.db2.gz OSRPNJDFIXFPHW-SFHVURJKSA-N 0 1 286.419 3.230 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001139684097 804252754 /nfs/dbraw/zinc/25/27/54/804252754.db2.gz QNZLIRJRFVLECY-YGRLFVJLSA-N 0 1 267.319 3.435 20 10 CGCDMN COC[C@@]12CCC[C@@H]1C[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140339909 804419446 /nfs/dbraw/zinc/41/94/46/804419446.db2.gz OXWJPQWHTBXAIU-WBMJQRKESA-N 0 1 295.810 3.294 20 10 CGCDMN COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140339909 804419452 /nfs/dbraw/zinc/41/94/52/804419452.db2.gz OXWJPQWHTBXAIU-WBMJQRKESA-N 0 1 295.810 3.294 20 10 CGCDMN COCC[C@H]1CCCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC001140344731 804419781 /nfs/dbraw/zinc/41/97/81/804419781.db2.gz KWESVPBSISAMRE-GFCCVEGCSA-N 0 1 283.799 3.437 20 10 CGCDMN COCC[C@H]1CCCC[N@H+]1Cc1c([O-])cccc1Cl ZINC001140344731 804419784 /nfs/dbraw/zinc/41/97/84/804419784.db2.gz KWESVPBSISAMRE-GFCCVEGCSA-N 0 1 283.799 3.437 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(n2cccn2)CC1 ZINC001140342101 804419958 /nfs/dbraw/zinc/41/99/58/804419958.db2.gz UZFHJVGMCDTCCM-UHFFFAOYSA-N 0 1 291.782 3.079 20 10 CGCDMN Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001140461225 804441243 /nfs/dbraw/zinc/44/12/43/804441243.db2.gz HMLLQDRFCPATJY-GFCCVEGCSA-N 0 1 257.736 3.370 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001140461225 804441245 /nfs/dbraw/zinc/44/12/45/804441245.db2.gz HMLLQDRFCPATJY-GFCCVEGCSA-N 0 1 257.736 3.370 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001140461225 804441248 /nfs/dbraw/zinc/44/12/48/804441248.db2.gz HMLLQDRFCPATJY-GFCCVEGCSA-N 0 1 257.736 3.370 20 10 CGCDMN CCOC1CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140466209 804442913 /nfs/dbraw/zinc/44/29/13/804442913.db2.gz BFGPGGXYBWKRAD-UHFFFAOYSA-N 0 1 269.772 3.047 20 10 CGCDMN Cc1cc(CN2CCCc3cc(O)c(O)cc3C2)ccc1O ZINC001140576066 804464709 /nfs/dbraw/zinc/46/47/09/804464709.db2.gz JHPILPGUXZPCSH-UHFFFAOYSA-N 0 1 299.370 3.060 20 10 CGCDMN C[N@H+](Cc1c([O-])cc(F)cc1F)CC1CCCC1 ZINC001140584064 804468444 /nfs/dbraw/zinc/46/84/44/804468444.db2.gz FIVDUDNHPDJEIG-UHFFFAOYSA-N 0 1 255.308 3.292 20 10 CGCDMN CCO[C@@H]1CCCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140923431 804550429 /nfs/dbraw/zinc/55/04/29/804550429.db2.gz AFMXNQRTZZPQLI-OAHLLOKOSA-N 0 1 296.842 3.407 20 10 CGCDMN CC(C)(C)c1cc([O-])c(C[NH+]2CCC(O)CC2)cc1Cl ZINC001248881140 805031215 /nfs/dbraw/zinc/03/12/15/805031215.db2.gz RGOJCGKRMSJPIL-UHFFFAOYSA-N 0 1 297.826 3.300 20 10 CGCDMN CC[C@H](C)c1nn(C)cc1C[N@@H+](C)Cc1ccccc1O ZINC001249408425 805142291 /nfs/dbraw/zinc/14/22/91/805142291.db2.gz DHTHFRAKUUILMF-ZDUSSCGKSA-N 0 1 287.407 3.271 20 10 CGCDMN CC[C@H](C)c1nn(C)cc1CN(C)Cc1ccccc1O ZINC001249408425 805142296 /nfs/dbraw/zinc/14/22/96/805142296.db2.gz DHTHFRAKUUILMF-ZDUSSCGKSA-N 0 1 287.407 3.271 20 10 CGCDMN c1ccn(-c2ccc(-c3nnc(CN4CCCC4)o3)cc2)c1 ZINC001256936129 807013107 /nfs/dbraw/zinc/01/31/07/807013107.db2.gz ZSLFHNBNFUXATM-UHFFFAOYSA-N 0 1 294.358 3.123 20 10 CGCDMN Oc1cccc(NC2=CCCN(Cc3ccccc3)C2)c1O ZINC001174396596 808994650 /nfs/dbraw/zinc/99/46/50/808994650.db2.gz IZZAREGULOPDOO-UHFFFAOYSA-N 0 1 296.370 3.300 20 10 CGCDMN C[N@@H+](CCc1ccccc1F)Cc1ccc(F)c(F)c1[O-] ZINC001180175774 809980938 /nfs/dbraw/zinc/98/09/38/809980938.db2.gz XQWYIDVRSVLZQM-UHFFFAOYSA-N 0 1 295.304 3.484 20 10 CGCDMN C[C@H](c1ccco1)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001180392246 809997843 /nfs/dbraw/zinc/99/78/43/809997843.db2.gz CFXCJDOETQWDAB-SECBINFHSA-N 0 1 267.275 3.456 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@@H+](CC1CC1)C1CCC1 ZINC001181214771 810043717 /nfs/dbraw/zinc/04/37/17/810043717.db2.gz XFAJZADYCUVQNR-UHFFFAOYSA-N 0 1 267.319 3.435 20 10 CGCDMN CN(C)c1cc(F)c(CN2CCC3(CCC3)C2)cc1F ZINC001181322661 810047278 /nfs/dbraw/zinc/04/72/78/810047278.db2.gz GQGZALVERIIUAP-UHFFFAOYSA-N 0 1 280.362 3.407 20 10 CGCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@]12CCC[C@H]1OCC2 ZINC001184375113 810196409 /nfs/dbraw/zinc/19/64/09/810196409.db2.gz SWVLMCAGPWLTGD-CZUORRHYSA-N 0 1 297.345 3.061 20 10 CGCDMN CC(C)N(CC1CC1)C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193603855 810917402 /nfs/dbraw/zinc/91/74/02/810917402.db2.gz QFDKPAYIQNYNAV-UHFFFAOYSA-N 0 1 283.755 3.012 20 10 CGCDMN Oc1ccc(Cl)cc1CN1CCCC[C@@H](F)C1 ZINC001203651521 812415965 /nfs/dbraw/zinc/41/59/65/812415965.db2.gz QNXFOGBNEOLPGM-GFCCVEGCSA-N 0 1 257.736 3.370 20 10 CGCDMN COCC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC001203657357 812419456 /nfs/dbraw/zinc/41/94/56/812419456.db2.gz JNKORUUJIWXECV-CQSZACIVSA-N 0 1 283.799 3.437 20 10 CGCDMN COCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC001203657357 812419459 /nfs/dbraw/zinc/41/94/59/812419459.db2.gz JNKORUUJIWXECV-CQSZACIVSA-N 0 1 283.799 3.437 20 10 CGCDMN CCN(CC)c1ccc(CN2C[C@H](F)C[C@H]2C)cc1 ZINC001203936868 812497807 /nfs/dbraw/zinc/49/78/07/812497807.db2.gz QAJJVCLRYRFKGW-UKRRQHHQSA-N 0 1 264.388 3.465 20 10 CGCDMN CN(Cc1ccc(O)cc1O)Cc1cccc(F)c1F ZINC001204277496 812593433 /nfs/dbraw/zinc/59/34/33/812593433.db2.gz FGGYUCMPYKYNJE-UHFFFAOYSA-N 0 1 279.286 3.008 20 10 CGCDMN COCC1(C)CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001205385917 812976354 /nfs/dbraw/zinc/97/63/54/812976354.db2.gz VBZDUFMLWRPVBD-UHFFFAOYSA-N 0 1 283.799 3.294 20 10 CGCDMN CCOC1(C[NH2+]Cc2ccc(Cl)cc2[O-])CCCC1 ZINC001205980553 813150201 /nfs/dbraw/zinc/15/02/01/813150201.db2.gz ORZCXPQJUBUCBF-UHFFFAOYSA-N 0 1 283.799 3.485 20 10 CGCDMN CCc1nccc(CN(CC)Cc2ccc(N(C)C)cc2)n1 ZINC001207090584 813484204 /nfs/dbraw/zinc/48/42/04/813484204.db2.gz YZICGEZHDMXTJK-UHFFFAOYSA-N 0 1 298.434 3.127 20 10 CGCDMN Cc1cncc(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC001207162402 813501321 /nfs/dbraw/zinc/50/13/21/813501321.db2.gz INZRATDWAQMTJQ-UHFFFAOYSA-N 0 1 269.392 3.088 20 10 CGCDMN CCN(Cc1ccc(-n2c(C)ccc2C)cc1)C1COC1 ZINC001209517509 814071613 /nfs/dbraw/zinc/07/16/13/814071613.db2.gz DILSDNWNJIFUFR-UHFFFAOYSA-N 0 1 284.403 3.315 20 10 CGCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC001231565838 818124358 /nfs/dbraw/zinc/12/43/58/818124358.db2.gz LDGSWTJXPOWXGD-OAHLLOKOSA-N 0 1 283.327 3.037 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCCC1=O ZINC001231587539 818128946 /nfs/dbraw/zinc/12/89/46/818128946.db2.gz FCNIYPWEFASTFS-CYBMUJFWSA-N 0 1 283.371 3.346 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCCC1=O ZINC001231587539 818128949 /nfs/dbraw/zinc/12/89/49/818128949.db2.gz FCNIYPWEFASTFS-CYBMUJFWSA-N 0 1 283.371 3.346 20 10 CGCDMN CC(C)[N@@H+](CCCO)Cc1c(O)ccc2ccccc21 ZINC001231590165 818129994 /nfs/dbraw/zinc/12/99/94/818129994.db2.gz OFZCNRADWIRRQW-UHFFFAOYSA-N 0 1 273.376 3.138 20 10 CGCDMN CC(C)[N@H+](CCCO)Cc1c([O-])ccc2ccccc21 ZINC001231590165 818129999 /nfs/dbraw/zinc/12/99/99/818129999.db2.gz OFZCNRADWIRRQW-UHFFFAOYSA-N 0 1 273.376 3.138 20 10 CGCDMN CC(C)[N@@H+](CCCO)Cc1c([O-])ccc2ccccc21 ZINC001231590165 818130003 /nfs/dbraw/zinc/13/00/03/818130003.db2.gz OFZCNRADWIRRQW-UHFFFAOYSA-N 0 1 273.376 3.138 20 10 CGCDMN CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001231591149 818131448 /nfs/dbraw/zinc/13/14/48/818131448.db2.gz WKBBGMCVMQQIDA-KSSFIOAISA-N 0 1 283.371 3.299 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CC(C)(C)C[C@]2(C)CO)cc1Cl ZINC001231867209 818192374 /nfs/dbraw/zinc/19/23/74/818192374.db2.gz INJLWLVUZYFPRT-MRXNPFEDSA-N 0 1 297.826 3.337 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)cc1Cl ZINC001231867209 818192378 /nfs/dbraw/zinc/19/23/78/818192378.db2.gz INJLWLVUZYFPRT-MRXNPFEDSA-N 0 1 297.826 3.337 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC(C)(C)C[C@]2(C)CO)cc1Cl ZINC001231867209 818192381 /nfs/dbraw/zinc/19/23/81/818192381.db2.gz INJLWLVUZYFPRT-MRXNPFEDSA-N 0 1 297.826 3.337 20 10 CGCDMN COc1cc(O)c(CN2CC3(C2)CCCC3)cc1Cl ZINC001232266187 818297314 /nfs/dbraw/zinc/29/73/14/818297314.db2.gz JXBCZPYIIAACDE-UHFFFAOYSA-N 0 1 281.783 3.430 20 10 CGCDMN CC[C@@H](C)[N@H+](C)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232268978 818301111 /nfs/dbraw/zinc/30/11/11/818301111.db2.gz XSVIQDJESCALES-SECBINFHSA-N 0 1 257.761 3.285 20 10 CGCDMN CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232268978 818301117 /nfs/dbraw/zinc/30/11/17/818301117.db2.gz XSVIQDJESCALES-SECBINFHSA-N 0 1 257.761 3.285 20 10 CGCDMN Oc1cccc2c1C[N@@H+](Cc1ccc3ncoc3c1)CC2 ZINC001232945330 818480684 /nfs/dbraw/zinc/48/06/84/818480684.db2.gz PGHBEVIBDAZQOT-UHFFFAOYSA-N 0 1 280.327 3.092 20 10 CGCDMN Cc1ncc(CN(C)Cc2cc(C(C)(C)C)ccc2O)cn1 ZINC001233286618 818567835 /nfs/dbraw/zinc/56/78/35/818567835.db2.gz BGHPGYITPJXIGQ-UHFFFAOYSA-N 0 1 299.418 3.420 20 10 CGCDMN CN(Cc1cncnc1)Cc1cc(C(C)(C)C)ccc1O ZINC001233287398 818570813 /nfs/dbraw/zinc/57/08/13/818570813.db2.gz ONCMZFOWOAYISR-UHFFFAOYSA-N 0 1 285.391 3.112 20 10 CGCDMN CC(C)[C@H]1CCC[N@H+]1Cc1c([O-])ccc(F)c1F ZINC001233335600 818588647 /nfs/dbraw/zinc/58/86/47/818588647.db2.gz CRLZFCBPGBSJCE-GFCCVEGCSA-N 0 1 255.308 3.291 20 10 CGCDMN CO[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415920 818614775 /nfs/dbraw/zinc/61/47/75/818614775.db2.gz OFJXADVZHZOHJS-NSHDSACASA-N 0 1 289.297 3.022 20 10 CGCDMN CC[C@H]1COCCN1Cc1ccc(C(F)(F)F)cc1O ZINC001233455182 818622934 /nfs/dbraw/zinc/62/29/34/818622934.db2.gz ZXNQJLFSXXSHAO-LBPRGKRZSA-N 0 1 289.297 3.022 20 10 CGCDMN Oc1c(C[N@@H+](C2CC2)C2COC2)cccc1-c1ccccc1 ZINC001234996369 818972401 /nfs/dbraw/zinc/97/24/01/818972401.db2.gz GNMATYHIZUDZJY-UHFFFAOYSA-N 0 1 295.382 3.422 20 10 CGCDMN Oc1c(CN(C2CC2)C2COC2)cccc1-c1ccccc1 ZINC001234996369 818972406 /nfs/dbraw/zinc/97/24/06/818972406.db2.gz GNMATYHIZUDZJY-UHFFFAOYSA-N 0 1 295.382 3.422 20 10 CGCDMN C[C@@H]1CCN(Cc2ccc(C(C)(C)C)cc2O)CCC1=O ZINC001235673817 819135543 /nfs/dbraw/zinc/13/55/43/819135543.db2.gz ADUDNIAMLUTOPU-CYBMUJFWSA-N 0 1 289.419 3.491 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC001236670044 819568149 /nfs/dbraw/zinc/56/81/49/819568149.db2.gz SKZAHHROBGPFBT-CMPLNLGQSA-N 0 1 296.208 3.447 20 10 CGCDMN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001236792078 819594474 /nfs/dbraw/zinc/59/44/74/819594474.db2.gz BFSOBANPFGNHKE-SNVBAGLBSA-N 0 1 290.190 3.046 20 10 CGCDMN CCC[N@@H+](CC)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236805410 819602909 /nfs/dbraw/zinc/60/29/09/819602909.db2.gz FTICFTJSVFZDDS-UHFFFAOYSA-N 0 1 257.761 3.286 20 10 CGCDMN CCCO[C@@H]1CC[N@@H+](Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236813137 819604901 /nfs/dbraw/zinc/60/49/01/819604901.db2.gz KAKQOSBWUUEDGR-GFCCVEGCSA-N 0 1 299.798 3.055 20 10 CGCDMN COc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c([O-])c1Cl ZINC001236817773 819605731 /nfs/dbraw/zinc/60/57/31/819605731.db2.gz HISWFECBALBHDA-PWSUYJOCSA-N 0 1 299.798 3.054 20 10 CGCDMN CC(C)c1ccc(CN2CCc3cccnc3C2)c(O)c1 ZINC001237055921 819655428 /nfs/dbraw/zinc/65/54/28/819655428.db2.gz SFGNYGISUNQALO-UHFFFAOYSA-N 0 1 282.387 3.469 20 10 CGCDMN Oc1ccc(C(F)(F)F)cc1CN1CC2(CCC2)C1 ZINC001237136761 819675162 /nfs/dbraw/zinc/67/51/62/819675162.db2.gz VPEMDNDRMSCRQV-UHFFFAOYSA-N 0 1 271.282 3.397 20 10 CGCDMN Cc1nc2c(s1)CN(Cc1cc(Cl)cc(F)c1O)C2 ZINC001237623746 819788295 /nfs/dbraw/zinc/78/82/95/819788295.db2.gz UMOWWRJHCWMOPL-UHFFFAOYSA-N 0 1 298.770 3.465 20 10 CGCDMN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(Cl)cc(F)c1O ZINC001237622354 819788949 /nfs/dbraw/zinc/78/89/49/819788949.db2.gz RJWGYJZBAPZICR-TXEJJXNPSA-N 0 1 297.757 3.271 20 10 CGCDMN COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(Cl)c1[O-] ZINC001237804973 819847606 /nfs/dbraw/zinc/84/76/06/819847606.db2.gz IUWZHRRIOXJDSW-FUNVUKJBSA-N 0 1 299.773 3.327 20 10 CGCDMN Oc1c(Cl)cc(F)cc1CN1CCCC(F)(F)C1 ZINC001237807489 819847661 /nfs/dbraw/zinc/84/76/61/819847661.db2.gz KGLVNADEZQUXJW-UHFFFAOYSA-N 0 1 279.689 3.416 20 10 CGCDMN Oc1c(Cl)cc(F)cc1CN1CC(F)(F)C[C@H]1CF ZINC001237808125 819848417 /nfs/dbraw/zinc/84/84/17/819848417.db2.gz REJDMJVPUHVKFA-VIFPVBQESA-N 0 1 297.679 3.364 20 10 CGCDMN CCCO[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237814534 819851042 /nfs/dbraw/zinc/85/10/42/819851042.db2.gz SLTIKTWAVCUUEO-LBPRGKRZSA-N 0 1 287.762 3.186 20 10 CGCDMN CCOC(=O)c1ccccc1CN(C)Cc1ccccc1O ZINC001237891105 819873472 /nfs/dbraw/zinc/87/34/72/819873472.db2.gz IIJNTAYUINBUMU-UHFFFAOYSA-N 0 1 299.370 3.201 20 10 CGCDMN CCN(Cc1ccccn1)Cc1cc(F)cc(C)c1O ZINC001238071513 819924479 /nfs/dbraw/zinc/92/44/79/819924479.db2.gz YSBQWVYLUZCUIB-UHFFFAOYSA-N 0 1 274.339 3.257 20 10 CGCDMN C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1c([O-])cccc1Cl ZINC001339017442 936344624 /nfs/dbraw/zinc/34/46/24/936344624.db2.gz MIDVYOIBOKTDTQ-JTQLQIEISA-N 0 1 299.798 3.256 20 10 CGCDMN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001347394107 936882560 /nfs/dbraw/zinc/88/25/60/936882560.db2.gz HEIPOBUJWUIGTE-TXEJJXNPSA-N 0 1 269.772 3.011 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c(Cl)c1 ZINC001474572436 937205859 /nfs/dbraw/zinc/20/58/59/937205859.db2.gz VKOBUVBZBOMGCK-WDEREUQCSA-N 0 1 287.737 3.441 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c(Cl)c1 ZINC001474572436 937205862 /nfs/dbraw/zinc/20/58/62/937205862.db2.gz VKOBUVBZBOMGCK-WDEREUQCSA-N 0 1 287.737 3.441 20 10 CGCDMN CC[C@@H](NCc1c(O)ccc(Cl)c1F)c1noc(C)n1 ZINC001474037729 937203221 /nfs/dbraw/zinc/20/32/21/937203221.db2.gz LZRXTJUMHTXNME-SNVBAGLBSA-N 0 1 299.733 3.117 20 10 CGCDMN CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000399505787 928807495 /nfs/dbraw/zinc/80/74/95/928807495.db2.gz LWXQZZWLNNMTAT-YGRLFVJLSA-N 0 1 279.355 3.354 20 10 CGCDMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000399505787 928807505 /nfs/dbraw/zinc/80/75/05/928807505.db2.gz LWXQZZWLNNMTAT-YGRLFVJLSA-N 0 1 279.355 3.354 20 10 CGCDMN CC1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001462016173 937612899 /nfs/dbraw/zinc/61/28/99/937612899.db2.gz FIKCKBUOBKVYRY-UHFFFAOYSA-N 0 1 268.351 3.263 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC2(C)C)c(Cl)c1 ZINC001308260064 933083113 /nfs/dbraw/zinc/08/31/13/933083113.db2.gz GYRUTKKVQKFMMA-JTQLQIEISA-N 0 1 253.773 3.490 20 10 CGCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C12CCC2 ZINC001308763945 933172253 /nfs/dbraw/zinc/17/22/53/933172253.db2.gz CIPFROYXBWVTJN-CABCVRRESA-N 0 1 297.345 3.060 20 10 CGCDMN CN1CCCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC001474736557 933845184 /nfs/dbraw/zinc/84/51/84/933845184.db2.gz DNENGCABRWFBGU-MRXNPFEDSA-N 0 1 284.403 3.119 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC001326976796 935019093 /nfs/dbraw/zinc/01/90/93/935019093.db2.gz IJAQAQBSPISYIA-UWVGGRQHSA-N 0 1 257.736 3.416 20 10 CGCDMN CO[C@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC001330432162 935288854 /nfs/dbraw/zinc/28/88/54/935288854.db2.gz MJVKKCSTUIUNBU-GJZGRUSLSA-N 0 1 271.360 3.203 20 10 CGCDMN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1csc(N)n1 ZINC001335252462 936135785 /nfs/dbraw/zinc/13/57/85/936135785.db2.gz ILGPPMITIVGBJR-MWLCHTKSSA-N 0 1 289.404 3.077 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+]CCCC(F)F ZINC001335507224 936150316 /nfs/dbraw/zinc/15/03/16/936150316.db2.gz UBIVNDMUGWGIAW-UHFFFAOYSA-N 0 1 294.139 3.290 20 10 CGCDMN Oc1ccc2c(c1)CN(Cc1cc(Cl)c(F)cc1O)C2 ZINC001474635604 937872077 /nfs/dbraw/zinc/87/20/77/937872077.db2.gz CGKMEWYQXPHEBJ-UHFFFAOYSA-N 0 1 293.725 3.406 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](CF)C1 ZINC001474684206 937874342 /nfs/dbraw/zinc/87/43/42/937874342.db2.gz HPDUQWVDGRRCPR-SECBINFHSA-N 0 1 275.726 3.366 20 10 CGCDMN CCN(CC)c1ccc(CNc2cccc3[nH]nnc32)cc1 ZINC001560477390 938259597 /nfs/dbraw/zinc/25/95/97/938259597.db2.gz KYUHAKURDJBEHU-UHFFFAOYSA-N 0 1 295.390 3.416 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC001560886070 938282097 /nfs/dbraw/zinc/28/20/97/938282097.db2.gz UAFLDOMLWHRFCF-NSHDSACASA-N 0 1 267.319 3.292 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001603107172 972183766 /nfs/dbraw/zinc/18/37/66/972183766.db2.gz WIVJLKGJCRPMAU-SWLSCSKDSA-N 0 1 291.391 3.058 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])[C@@H](C)CC ZINC001595747636 982415045 /nfs/dbraw/zinc/41/50/45/982415045.db2.gz HFYTYTUTBDKQAR-BBRMVZONSA-N 0 1 293.407 3.494 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])[C@H](C)CC ZINC001595891612 982927710 /nfs/dbraw/zinc/92/77/10/982927710.db2.gz WJUQXVCCMIGEER-DOMZBBRYSA-N 0 1 279.380 3.104 20 10 CGCDMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001593776941 996481113 /nfs/dbraw/zinc/48/11/13/996481113.db2.gz VHUMUMIOPOVEMF-SFHVURJKSA-N 0 1 299.370 3.232 20 10 CGCDMN C[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1CCOC1 ZINC000176102488 346249274 /nfs/dbraw/zinc/24/92/74/346249274.db2.gz PVVRSVOVVMRLSP-CYBMUJFWSA-N 0 1 271.360 3.014 20 10 CGCDMN C[N@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1CCOC1 ZINC000176102488 346249275 /nfs/dbraw/zinc/24/92/75/346249275.db2.gz PVVRSVOVVMRLSP-CYBMUJFWSA-N 0 1 271.360 3.014 20 10 CGCDMN C[C@@H](CCN(C)C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000049553311 369409585 /nfs/dbraw/zinc/40/95/85/369409585.db2.gz CRZHVWMCGLDUNY-VIFPVBQESA-N 0 1 291.222 3.129 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000293781181 372478644 /nfs/dbraw/zinc/47/86/44/372478644.db2.gz BAZGDYKQOLOCPS-UHFFFAOYSA-N 0 1 299.773 3.187 20 10 CGCDMN CN(Cc1cscn1)Cc1cc(Cl)c(F)cc1O ZINC000295241129 372713666 /nfs/dbraw/zinc/71/36/66/372713666.db2.gz DYFWDBHGCMUWMH-UHFFFAOYSA-N 0 1 286.759 3.273 20 10 CGCDMN CCc1ccc([C@H](COC)NCc2cc(F)ccc2O)o1 ZINC000180743932 374041186 /nfs/dbraw/zinc/04/11/86/374041186.db2.gz WLUZAUQQYPEOQW-AWEZNQCLSA-N 0 1 293.338 3.164 20 10 CGCDMN C[C@@H]([NH2+]CCCn1cccn1)c1ccc2ccccc2c1[O-] ZINC000181974286 374198101 /nfs/dbraw/zinc/19/81/01/374198101.db2.gz UKYACXSGYJEJTQ-CQSZACIVSA-N 0 1 295.386 3.483 20 10 CGCDMN CCOc1cccc(C[N@H+]2CCSCC[C@H]2C)c1O ZINC000191819377 375666646 /nfs/dbraw/zinc/66/66/46/375666646.db2.gz XEUAGCXZMUABDC-GFCCVEGCSA-N 0 1 281.421 3.118 20 10 CGCDMN [O-]c1c(Cl)cccc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000271933909 378522712 /nfs/dbraw/zinc/52/27/12/378522712.db2.gz VBSVEFCRZMIXHY-UHFFFAOYSA-N 0 1 294.826 3.152 20 10 CGCDMN COCC[C@H](NCc1ccc(OC)c(C)c1)c1ccco1 ZINC000272420184 378632995 /nfs/dbraw/zinc/63/29/95/378632995.db2.gz DEXVJRXWRSRPHV-HNNXBMFYSA-N 0 1 289.375 3.464 20 10 CGCDMN CSCC[C@H](C)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000272212809 378586368 /nfs/dbraw/zinc/58/63/68/378586368.db2.gz AQIHBWTYXXKZSF-JTQLQIEISA-N 0 1 257.374 3.105 20 10 CGCDMN CN(C)c1ccc(CNCc2cnc(C(C)(C)C)nc2)cc1 ZINC000284325139 392312158 /nfs/dbraw/zinc/31/21/58/392312158.db2.gz KIMQXOMGVHYUEI-UHFFFAOYSA-N 0 1 298.434 3.130 20 10 CGCDMN CCc1ccc([C@@H](COC)NCc2ccccc2O)o1 ZINC000174480215 392642481 /nfs/dbraw/zinc/64/24/81/392642481.db2.gz VKNAFZOUGUWMGP-CQSZACIVSA-N 0 1 275.348 3.025 20 10 CGCDMN COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000193877406 392888125 /nfs/dbraw/zinc/88/81/25/392888125.db2.gz VVWDDVJXWXRVOW-JBLDHEPKSA-N 0 1 297.782 3.038 20 10 CGCDMN COc1ccc(CN[C@@H](C)c2ccccn2)cc1C ZINC000035052530 171953195 /nfs/dbraw/zinc/95/31/95/171953195.db2.gz CPEFMFYAYVWUDI-ZDUSSCGKSA-N 0 1 256.349 3.249 20 10 CGCDMN C[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000185190838 262045212 /nfs/dbraw/zinc/04/52/12/262045212.db2.gz YQNXEEDYQKIODF-IINYFYTJSA-N 0 1 285.815 3.493 20 10 CGCDMN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1nccnc1C ZINC000358977364 266516536 /nfs/dbraw/zinc/51/65/36/266516536.db2.gz CDYAVPSUECREJM-AWEZNQCLSA-N 0 1 294.402 3.436 20 10 CGCDMN COCCCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185037134 327835968 /nfs/dbraw/zinc/83/59/68/327835968.db2.gz XGELGHORGODRDV-SNVBAGLBSA-N 0 1 257.761 3.123 20 10 CGCDMN CC[C@@H](N[C@H](C)c1nnc(C)s1)c1ccccc1O ZINC000274793720 328010975 /nfs/dbraw/zinc/01/09/75/328010975.db2.gz SOXBSBKMEYFEHX-BXKDBHETSA-N 0 1 277.393 3.354 20 10 CGCDMN CC(C)c1nnc([C@H](C)N[C@H](C)c2ccccc2O)[nH]1 ZINC000272852029 328200952 /nfs/dbraw/zinc/20/09/52/328200952.db2.gz LHHCGPXMAAPTHD-MNOVXSKESA-N 0 1 274.368 3.046 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@H]1CCCCO1 ZINC000227338555 329272248 /nfs/dbraw/zinc/27/22/48/329272248.db2.gz SZGMVGXBAKSMRL-LLVKDONJSA-N 0 1 269.772 3.094 20 10 CGCDMN CCc1cnc(CNCc2cc(C)ccc2O)s1 ZINC000230707260 329371982 /nfs/dbraw/zinc/37/19/82/329371982.db2.gz ONXWHHQULIRIRF-UHFFFAOYSA-N 0 1 262.378 3.009 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000230659257 333319890 /nfs/dbraw/zinc/31/98/90/333319890.db2.gz UWYGDNGNMYZJQR-NOZJJQNGSA-N 0 1 299.292 3.119 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+](C(C)C)C2CC2)c1[O-] ZINC000079398786 518280667 /nfs/dbraw/zinc/28/06/67/518280667.db2.gz OWAFZADNNVUSFD-UHFFFAOYSA-N 0 1 265.328 3.107 20 10 CGCDMN CCOc1ccc(O)c(CN(C)Cc2occc2C)c1 ZINC000292699586 521144656 /nfs/dbraw/zinc/14/46/56/521144656.db2.gz CEQAVRICMJJGIQ-UHFFFAOYSA-N 0 1 275.348 3.324 20 10 CGCDMN COCC(C)(C)[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000292128416 522811851 /nfs/dbraw/zinc/81/18/51/522811851.db2.gz IGHSKTBIUTZBJH-UHFFFAOYSA-N 0 1 299.798 3.105 20 10 CGCDMN COCC(C)(C)[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000292128416 522811859 /nfs/dbraw/zinc/81/18/59/522811859.db2.gz IGHSKTBIUTZBJH-UHFFFAOYSA-N 0 1 299.798 3.105 20 10 CGCDMN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC[C@H]2C)c1[O-] ZINC000289842854 524869504 /nfs/dbraw/zinc/86/95/04/524869504.db2.gz URECFNRBELWDKR-VXGBXAGGSA-N 0 1 283.799 3.116 20 10 CGCDMN CSC1(C[NH2+]Cc2c([O-])cccc2Cl)CCC1 ZINC000227945231 525333234 /nfs/dbraw/zinc/33/32/34/525333234.db2.gz RJZOMBTUUHOPMN-UHFFFAOYSA-N 0 1 271.813 3.421 20 10 CGCDMN CC[N@@H+](CCC(=O)[O-])Cc1cc(C)cc(C(C)(C)C)c1O ZINC000737096637 572860419 /nfs/dbraw/zinc/86/04/19/572860419.db2.gz PMPPLEZBILKBPL-UHFFFAOYSA-N 0 1 293.407 3.295 20 10 CGCDMN COc1cc(Cl)cc(CN2[C@H](C)C[C@H]2C)c1O ZINC000793220849 629430103 /nfs/dbraw/zinc/43/01/03/629430103.db2.gz RXLIPOTWBULHCX-RKDXNWHRSA-N 0 1 255.745 3.037 20 10 CGCDMN CC(C)(CN1CCCC1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000308627461 618963285 /nfs/dbraw/zinc/96/32/85/618963285.db2.gz GRZQIRZERCEEAP-UHFFFAOYSA-N 0 1 282.815 3.010 20 10 CGCDMN CC1(C)SC[C@@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000309831444 618972857 /nfs/dbraw/zinc/97/28/57/618972857.db2.gz YPXCLCWEHBSUHP-NSHDSACASA-N 0 1 257.786 3.029 20 10 CGCDMN CCOCC[N@H+](CC)Cc1c([O-])cc(C)cc1Cl ZINC000840912794 619124639 /nfs/dbraw/zinc/12/46/39/619124639.db2.gz WJLNEVLPXBLORU-UHFFFAOYSA-N 0 1 271.788 3.212 20 10 CGCDMN CCOCC[N@@H+](CC)Cc1c([O-])cc(C)cc1Cl ZINC000840912794 619124640 /nfs/dbraw/zinc/12/46/40/619124640.db2.gz WJLNEVLPXBLORU-UHFFFAOYSA-N 0 1 271.788 3.212 20 10 CGCDMN COC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCCC1 ZINC000311241857 619125080 /nfs/dbraw/zinc/12/50/80/619125080.db2.gz ZQITXIAKPBDOML-UHFFFAOYSA-N 0 1 269.772 3.094 20 10 CGCDMN Oc1ccc2ccccc2c1CN1CCO[C@H](C(F)F)C1 ZINC000193440303 619129052 /nfs/dbraw/zinc/12/90/52/619129052.db2.gz NIOFZYADDMQHAM-HNNXBMFYSA-N 0 1 293.313 3.011 20 10 CGCDMN C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000105446971 619237157 /nfs/dbraw/zinc/23/71/57/619237157.db2.gz ASNNTCLOZBGMLA-NSHDSACASA-N 0 1 291.778 3.472 20 10 CGCDMN Cc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2[O-])nc1 ZINC000894540706 619568710 /nfs/dbraw/zinc/56/87/10/619568710.db2.gz LTYRGYRHROUADP-UHFFFAOYSA-N 0 1 278.302 3.006 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@H](c3nccs3)C2)ccc(F)c1F ZINC000895582754 619856458 /nfs/dbraw/zinc/85/64/58/619856458.db2.gz LTSFWPWUSRARNU-JTQLQIEISA-N 0 1 296.342 3.116 20 10 CGCDMN [O-]c1ccccc1C[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000895718172 619874798 /nfs/dbraw/zinc/87/47/98/619874798.db2.gz VFYCOBRQEIQTBM-INIZCTEOSA-N 0 1 289.419 3.421 20 10 CGCDMN [O-]c1ccccc1C[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000895718172 619874799 /nfs/dbraw/zinc/87/47/99/619874799.db2.gz VFYCOBRQEIQTBM-INIZCTEOSA-N 0 1 289.419 3.421 20 10 CGCDMN CCc1nc(C)c(CN[C@H](C)c2cc(OC)ccc2O)o1 ZINC000314720941 620186748 /nfs/dbraw/zinc/18/67/48/620186748.db2.gz JBQGDDWDBWLHRF-SNVBAGLBSA-N 0 1 290.363 3.110 20 10 CGCDMN C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cc(F)ccc1[O-] ZINC000185644428 625405308 /nfs/dbraw/zinc/40/53/08/625405308.db2.gz QUDLXQFQUALZIL-UVBJJODRSA-N 0 1 281.371 3.123 20 10 CGCDMN C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1ccc(Cl)cc1[O-] ZINC000903441237 621750167 /nfs/dbraw/zinc/75/01/67/621750167.db2.gz ZYFBTEJRZZFBJQ-FZZIBODNSA-N 0 1 281.783 3.121 20 10 CGCDMN CCc1cnc(CNCc2c(C)cccc2O)s1 ZINC000877071119 622934961 /nfs/dbraw/zinc/93/49/61/622934961.db2.gz DZZBRILVRSVJKY-UHFFFAOYSA-N 0 1 262.378 3.009 20 10 CGCDMN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000232180855 623367855 /nfs/dbraw/zinc/36/78/55/623367855.db2.gz WYDGZCCAKRQPNC-BXKDBHETSA-N 0 1 284.197 3.433 20 10 CGCDMN CC[C@H]1COCCN1Cc1cc(C(C)C)c(C)cc1O ZINC000151900873 623582140 /nfs/dbraw/zinc/58/21/40/623582140.db2.gz NTXOPRVEDZZLIA-HNNXBMFYSA-N 0 1 277.408 3.435 20 10 CGCDMN CC[C@H](C)[C@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000183058964 625043780 /nfs/dbraw/zinc/04/37/80/625043780.db2.gz FKFKXPCTAZEYKL-UWVGGRQHSA-N 0 1 267.344 3.258 20 10 CGCDMN CC(C)OCCN(Cc1ccco1)Cc1ccccc1O ZINC000070975563 625047376 /nfs/dbraw/zinc/04/73/76/625047376.db2.gz WKYPUQFIOZLFKM-UHFFFAOYSA-N 0 1 289.375 3.412 20 10 CGCDMN Cc1[nH]ncc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000184748569 625268965 /nfs/dbraw/zinc/26/89/65/625268965.db2.gz YJCVMYDLXMBGFL-UHFFFAOYSA-N 0 1 293.317 3.272 20 10 CGCDMN c1ccc2c(c1)COC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000922191558 625981749 /nfs/dbraw/zinc/98/17/49/625981749.db2.gz WNLULQCJFMEYAK-SFHVURJKSA-N 0 1 295.382 3.373 20 10 CGCDMN Oc1c(Cl)cc(Cl)cc1CNc1nncn1C1CC1 ZINC000922662558 626027806 /nfs/dbraw/zinc/02/78/06/626027806.db2.gz XZWGENYPPHRRNL-UHFFFAOYSA-N 0 1 299.161 3.238 20 10 CGCDMN Cc1ncc(CN[C@@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000840794552 626245174 /nfs/dbraw/zinc/24/51/74/626245174.db2.gz LGTJQNZYHQCEKQ-QPUJVOFHSA-N 0 1 276.311 3.166 20 10 CGCDMN CN(C)c1ccc(CN2CC(CC(F)(F)F)C2)cc1 ZINC000839138520 626322442 /nfs/dbraw/zinc/32/24/42/626322442.db2.gz QBIVEUYBJLZHJX-UHFFFAOYSA-N 0 1 272.314 3.137 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000756554017 626714527 /nfs/dbraw/zinc/71/45/27/626714527.db2.gz NQDAXOFIEFSDBD-RISCZKNCSA-N 0 1 294.826 3.181 20 10 CGCDMN Cc1ccc([C@@H](C)NCc2ncccc2F)c(O)c1C ZINC000756767968 626729678 /nfs/dbraw/zinc/72/96/78/626729678.db2.gz HLHRJBGCMCZNBC-GFCCVEGCSA-N 0 1 274.339 3.394 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000767927350 627444275 /nfs/dbraw/zinc/44/42/75/627444275.db2.gz KFMMRDDPDOREAK-ZDUSSCGKSA-N 0 1 281.783 3.237 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCCC2(CC2)C1 ZINC000769793710 627578295 /nfs/dbraw/zinc/57/82/95/627578295.db2.gz PQSSXMMXGHBVKJ-UHFFFAOYSA-N 0 1 268.360 3.316 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCCC2(CC2)C1 ZINC000769793710 627578296 /nfs/dbraw/zinc/57/82/96/627578296.db2.gz PQSSXMMXGHBVKJ-UHFFFAOYSA-N 0 1 268.360 3.316 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCCC2(CC2)C1 ZINC000770678043 627636762 /nfs/dbraw/zinc/63/67/62/627636762.db2.gz XRDNKJWSYBBXRZ-UHFFFAOYSA-N 0 1 251.757 3.422 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCCC2(CC2)C1 ZINC000770678043 627636766 /nfs/dbraw/zinc/63/67/66/627636766.db2.gz XRDNKJWSYBBXRZ-UHFFFAOYSA-N 0 1 251.757 3.422 20 10 CGCDMN CCN(C)c1ccc(CN(C)Cc2cccc(C)n2)cc1 ZINC000773774249 627914781 /nfs/dbraw/zinc/91/47/81/627914781.db2.gz SIWPOXWRTOMHEQ-UHFFFAOYSA-N 0 1 283.419 3.478 20 10 CGCDMN CC[C@H]([NH2+]CCN(CC)CC)c1cc(Cl)ccc1[O-] ZINC000775483240 628098772 /nfs/dbraw/zinc/09/87/72/628098772.db2.gz QLLHQDKKZZVVRW-AWEZNQCLSA-N 0 1 284.831 3.428 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](C)COC)c1cc(Cl)ccc1[O-] ZINC000775487710 628099631 /nfs/dbraw/zinc/09/96/31/628099631.db2.gz CTYMWSYHEPODLV-GWCFXTLKSA-N 0 1 271.788 3.369 20 10 CGCDMN CC[C@H]([NH2+]CCCn1cccn1)c1cc(Cl)ccc1[O-] ZINC000775486112 628099821 /nfs/dbraw/zinc/09/98/21/628099821.db2.gz AQYJKTKLFPIKFB-AWEZNQCLSA-N 0 1 293.798 3.373 20 10 CGCDMN CCOCC[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775489633 628100476 /nfs/dbraw/zinc/10/04/76/628100476.db2.gz WDEGFDBYYMQPAL-LBPRGKRZSA-N 0 1 257.761 3.123 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000775489759 628100595 /nfs/dbraw/zinc/10/05/95/628100595.db2.gz RUYUSUHKCJGPJO-GXFFZTMASA-N 0 1 269.772 3.123 20 10 CGCDMN CC[C@@H]([NH2+]CC[C@@H](O)CC)c1cc(Cl)ccc1[O-] ZINC000775513981 628102577 /nfs/dbraw/zinc/10/25/77/628102577.db2.gz PTTFPOZYOBIUOV-WCQYABFASA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@@H]([NH2+]Cc1c[nH]nc1C)c1cc(Cl)ccc1[O-] ZINC000775527926 628104046 /nfs/dbraw/zinc/10/40/46/628104046.db2.gz WIHKYLGAQBTNDT-CYBMUJFWSA-N 0 1 279.771 3.318 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000775533779 628104333 /nfs/dbraw/zinc/10/43/33/628104333.db2.gz PJFGMRCQWHHMFR-JOYOIKCWSA-N 0 1 271.788 3.246 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1O ZINC000779432256 628413318 /nfs/dbraw/zinc/41/33/18/628413318.db2.gz QDERGUVXKVBSGT-IUODEOHRSA-N 0 1 297.826 3.275 20 10 CGCDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1O ZINC000779432256 628413319 /nfs/dbraw/zinc/41/33/19/628413319.db2.gz QDERGUVXKVBSGT-IUODEOHRSA-N 0 1 297.826 3.275 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792156424 629341508 /nfs/dbraw/zinc/34/15/08/629341508.db2.gz DPKNQGNCANXXOP-VIFPVBQESA-N 0 1 257.736 3.417 20 10 CGCDMN C[C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)C[C@@H]1F ZINC000792174589 629344542 /nfs/dbraw/zinc/34/45/42/629344542.db2.gz YIENJFARKUSADR-KCJUWKMLSA-N 0 1 275.726 3.365 20 10 CGCDMN CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000793217684 629429608 /nfs/dbraw/zinc/42/96/08/629429608.db2.gz MZWKJFNEECAOEG-AWEZNQCLSA-N 0 1 287.762 3.186 20 10 CGCDMN CC(=O)Nc1ccc(NCc2ccc(F)c(F)c2O)cc1 ZINC000864018771 629727755 /nfs/dbraw/zinc/72/77/55/629727755.db2.gz UYIKGNUSCBTKKM-UHFFFAOYSA-N 0 1 292.285 3.241 20 10 CGCDMN OCCCc1cccc(NCc2ccc(F)c(F)c2O)c1 ZINC000864033807 629733030 /nfs/dbraw/zinc/73/30/30/629733030.db2.gz ICCVLEPFTLLMTC-UHFFFAOYSA-N 0 1 293.313 3.207 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000796491994 629790053 /nfs/dbraw/zinc/79/00/53/629790053.db2.gz XISGUKSLVYAELR-UHFFFAOYSA-N 0 1 279.689 3.478 20 10 CGCDMN Cc1nccc(N(C)Cc2ccccc2O)c1Cl ZINC000798396362 630053439 /nfs/dbraw/zinc/05/34/39/630053439.db2.gz RHAJMXDCKXLAMK-UHFFFAOYSA-N 0 1 262.740 3.385 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CCOCC2)c1[O-] ZINC000808688869 630295046 /nfs/dbraw/zinc/29/50/46/630295046.db2.gz WBZILWUKJBMYIO-NSHDSACASA-N 0 1 283.799 3.431 20 10 CGCDMN CCCC[N@H+](CCCO)Cc1cc(Cl)ccc1[O-] ZINC000809751819 630800641 /nfs/dbraw/zinc/80/06/41/630800641.db2.gz KJDLNRDWPUCFDE-UHFFFAOYSA-N 0 1 271.788 3.030 20 10 CGCDMN CCCC[N@@H+](CCCO)Cc1cc(Cl)ccc1[O-] ZINC000809751819 630800645 /nfs/dbraw/zinc/80/06/45/630800645.db2.gz KJDLNRDWPUCFDE-UHFFFAOYSA-N 0 1 271.788 3.030 20 10 CGCDMN CCOc1ccc(O)c(CN(Cc2ccccn2)C2CC2)c1 ZINC000809764624 630802093 /nfs/dbraw/zinc/80/20/93/630802093.db2.gz XWVGOANUZVSLEN-UHFFFAOYSA-N 0 1 298.386 3.351 20 10 CGCDMN CC[C@@H]([NH2+][C@H](C)COC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208148 630853892 /nfs/dbraw/zinc/85/38/92/630853892.db2.gz SKZCFOJTIJSJGI-BXKDBHETSA-N 0 1 291.313 3.487 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219578 630855698 /nfs/dbraw/zinc/85/56/98/630855698.db2.gz TYQBHNISCDUXLQ-CABZTGNLSA-N 0 1 291.313 3.223 20 10 CGCDMN C/C=C(\C)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684183 631454064 /nfs/dbraw/zinc/45/40/64/631454064.db2.gz LXLMTPHEVSOTBJ-XVNBXDOJSA-N 0 1 274.147 3.281 20 10 CGCDMN CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1(CO)CCC1 ZINC000814169633 631536930 /nfs/dbraw/zinc/53/69/30/631536930.db2.gz LEQQOWAGURIJNI-HNNXBMFYSA-N 0 1 297.826 3.322 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178431 631540639 /nfs/dbraw/zinc/54/06/39/631540639.db2.gz POGWAZOEPWYKGB-AWEZNQCLSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178431 631540643 /nfs/dbraw/zinc/54/06/43/631540643.db2.gz POGWAZOEPWYKGB-AWEZNQCLSA-N 0 1 295.810 3.294 20 10 CGCDMN Cc1cc(CN2CC[C@H](C)[C@@H](F)C2)ccc1N(C)C ZINC000815087978 631713660 /nfs/dbraw/zinc/71/36/60/631713660.db2.gz WVIGLMHCIWBZAR-WFASDCNBSA-N 0 1 264.388 3.241 20 10 CGCDMN COc1ccc(O)c(CNCc2cccc(O)c2Cl)c1 ZINC000815127042 631723970 /nfs/dbraw/zinc/72/39/70/631723970.db2.gz WCRNIIMXWGGVTD-UHFFFAOYSA-N 0 1 293.750 3.050 20 10 CGCDMN CCC(CC)[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816551910 632008955 /nfs/dbraw/zinc/00/89/55/632008955.db2.gz UJCSUFBEKQZDMA-KRWDZBQOSA-N 0 1 287.403 3.432 20 10 CGCDMN CSCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552238 632009187 /nfs/dbraw/zinc/00/91/87/632009187.db2.gz FVVHZJQEUTZZIE-UHFFFAOYSA-N 0 1 261.390 3.388 20 10 CGCDMN CCN(Cc1cc(Cl)c(F)cc1O)CC(F)F ZINC000816568251 632014238 /nfs/dbraw/zinc/01/42/38/632014238.db2.gz BCWAITPPAYXERC-UHFFFAOYSA-N 0 1 267.678 3.272 20 10 CGCDMN COc1cccc(O)c1CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000816621960 632027026 /nfs/dbraw/zinc/02/70/26/632027026.db2.gz SYKIHAWKTPYNPS-QGZVFWFLSA-N 0 1 298.386 3.379 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667779 632041643 /nfs/dbraw/zinc/04/16/43/632041643.db2.gz WKFVDTFILQIWLD-CQSZACIVSA-N 0 1 295.810 3.437 20 10 CGCDMN C[C@H]([NH2+]CCCC1(O)CCC1)c1cc(Cl)ccc1[O-] ZINC000817587600 632193251 /nfs/dbraw/zinc/19/32/51/632193251.db2.gz ZGXZFBSCPALDLF-NSHDSACASA-N 0 1 283.799 3.391 20 10 CGCDMN CCCNCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000817962021 632257765 /nfs/dbraw/zinc/25/77/65/632257765.db2.gz GOMSFJBMGLBAIR-SECBINFHSA-N 0 1 291.222 3.349 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1ccc(Cl)c(Cl)c1[O-] ZINC000817978251 632268580 /nfs/dbraw/zinc/26/85/80/632268580.db2.gz YZTQWZIVWJXMPQ-FYBVGQRMSA-N 0 1 291.222 3.475 20 10 CGCDMN COc1cccc(CN[C@@H]2C[C@]2(F)c2ccccc2)c1O ZINC000818231080 632300204 /nfs/dbraw/zinc/30/02/04/632300204.db2.gz UUGWTXQLWOWSMK-WBVHZDCISA-N 0 1 287.334 3.128 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000818231477 632300454 /nfs/dbraw/zinc/30/04/54/632300454.db2.gz XGZXIHUXJGKBJY-QWHCGFSZSA-N 0 1 296.208 3.433 20 10 CGCDMN C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000866443653 633133325 /nfs/dbraw/zinc/13/33/25/633133325.db2.gz RJXLNGXRYHGBCN-COMAGPEQSA-N 0 1 269.772 3.262 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@H](O)C(F)(F)F ZINC000866462961 633144294 /nfs/dbraw/zinc/14/42/94/633144294.db2.gz FGKMRBWDPDVUAI-CVJICSNFSA-N 0 1 297.704 3.008 20 10 CGCDMN CN(C)c1ccc(CN2CCC[C@@](C)(F)C2)cc1 ZINC000824472517 633248797 /nfs/dbraw/zinc/24/87/97/633248797.db2.gz UTTJVVNBMMWNJC-OAHLLOKOSA-N 0 1 250.361 3.077 20 10 CGCDMN Cc1cc(O)c(CN[C@@H]2C[C@H](C)n3ccnc32)cc1C ZINC000825017393 633318706 /nfs/dbraw/zinc/31/87/06/633318706.db2.gz QDKFIGUZGROIOY-GXTWGEPZSA-N 0 1 271.364 3.001 20 10 CGCDMN C[C@H]1C[C@H](NCc2cc(Cl)ccc2O)c2nccn21 ZINC000825017515 633318785 /nfs/dbraw/zinc/31/87/85/633318785.db2.gz TVSJNYXYHGXITN-CABZTGNLSA-N 0 1 277.755 3.038 20 10 CGCDMN CC(C)[C@@H]1CC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825038040 633320886 /nfs/dbraw/zinc/32/08/86/633320886.db2.gz ODDASDYIIGLEGH-LBPRGKRZSA-N 0 1 284.197 3.385 20 10 CGCDMN CC(C)[C@@H]1CC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825038040 633320891 /nfs/dbraw/zinc/32/08/91/633320891.db2.gz ODDASDYIIGLEGH-LBPRGKRZSA-N 0 1 284.197 3.385 20 10 CGCDMN COC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000825294633 633342189 /nfs/dbraw/zinc/34/21/89/633342189.db2.gz URSASZMJLCEXKX-LBPRGKRZSA-N 0 1 287.762 3.186 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C2CCC(C)(O)CC2)cc1Cl ZINC000825325454 633345630 /nfs/dbraw/zinc/34/56/30/633345630.db2.gz FKSLNFOQLZYRSJ-UHFFFAOYSA-N 0 1 283.799 3.137 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](C)C2)cc1Cl ZINC000825380276 633350829 /nfs/dbraw/zinc/35/08/29/633350829.db2.gz ZRROKCWPSWAINR-PWSUYJOCSA-N 0 1 269.772 3.011 20 10 CGCDMN CO[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2[O-])CC[C@H]1C ZINC000825633560 633368714 /nfs/dbraw/zinc/36/87/14/633368714.db2.gz AXUJUFLAMHZIJV-BMIGLBTASA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2[O-])CC[C@H]1C ZINC000825633560 633368715 /nfs/dbraw/zinc/36/87/15/633368715.db2.gz AXUJUFLAMHZIJV-BMIGLBTASA-N 0 1 283.799 3.211 20 10 CGCDMN COCC(C)(C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825975828 633393953 /nfs/dbraw/zinc/39/39/53/633393953.db2.gz VRQPBGVYILBXKD-UHFFFAOYSA-N 0 1 271.788 3.116 20 10 CGCDMN CCn1ccnc1[C@H](C)NCc1cc(Cl)c(C)cc1O ZINC000826074486 633402718 /nfs/dbraw/zinc/40/27/18/633402718.db2.gz BRJZOPMGNVSXAO-NSHDSACASA-N 0 1 293.798 3.421 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCC2(O)CCC2)cc1Cl ZINC000826130164 633407243 /nfs/dbraw/zinc/40/72/43/633407243.db2.gz DWNDKJIPCKYCBP-UHFFFAOYSA-N 0 1 283.799 3.139 20 10 CGCDMN C[C@]12COC[C@@H]1C[N@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000827284953 633478221 /nfs/dbraw/zinc/47/82/21/633478221.db2.gz WZDFZJHZOVXGCH-YJBOKZPZSA-N 0 1 283.371 3.014 20 10 CGCDMN C[C@]12COC[C@@H]1C[N@@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000827284953 633478224 /nfs/dbraw/zinc/47/82/24/633478224.db2.gz WZDFZJHZOVXGCH-YJBOKZPZSA-N 0 1 283.371 3.014 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@@H](CO)CC2CC2)ccc2ccccc21 ZINC000827359120 633484800 /nfs/dbraw/zinc/48/48/00/633484800.db2.gz JGOZXVTVAACHKO-AWEZNQCLSA-N 0 1 285.387 3.044 20 10 CGCDMN Cc1cc(Cl)cc(C[N@@H+](C)CC2=CCSC2)c1O ZINC000827805039 633519019 /nfs/dbraw/zinc/51/90/19/633519019.db2.gz FFKCVJLIKAVDMP-UHFFFAOYSA-N 0 1 283.824 3.459 20 10 CGCDMN Cc1cc(O)c(CN2CCCc3n[nH]cc3C2)cc1Cl ZINC000828009352 633548695 /nfs/dbraw/zinc/54/86/95/633548695.db2.gz JQBMFYYEFZEKBP-UHFFFAOYSA-N 0 1 291.782 3.026 20 10 CGCDMN CC(C)CC[C@](C)(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000124030040 634102821 /nfs/dbraw/zinc/10/28/21/634102821.db2.gz MSMQOHFKGAINEL-HNNXBMFYSA-N 0 1 285.815 3.322 20 10 CGCDMN CC[C@@H]([NH2+]CCC(C)(C)CO)c1cc(Cl)ccc1[O-] ZINC000834869908 634259970 /nfs/dbraw/zinc/25/99/70/634259970.db2.gz DMTVDJRPZOCYRY-CYBMUJFWSA-N 0 1 285.815 3.495 20 10 CGCDMN CCn1ccnc1CN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834880266 634263642 /nfs/dbraw/zinc/26/36/42/634263642.db2.gz QUYUHUKPRPXAOH-JQWIXIFHSA-N 0 1 289.354 3.086 20 10 CGCDMN Cc1ccc([C@H](C)N[C@H]2C[C@@H](C)n3ccnc32)c(O)c1 ZINC000834894260 634272392 /nfs/dbraw/zinc/27/23/92/634272392.db2.gz JVFHEGUXYNOEKQ-DYEKYZERSA-N 0 1 271.364 3.254 20 10 CGCDMN CN(C)c1cc(F)c(CNC2(C)CC(F)(F)C2)cc1F ZINC000873197564 634282011 /nfs/dbraw/zinc/28/20/11/634282011.db2.gz HBTHZHRXGMVOFP-UHFFFAOYSA-N 0 1 290.304 3.308 20 10 CGCDMN CCc1cc(CNC/C=C\c2ccc(N(C)C)cc2)on1 ZINC000835033314 634326910 /nfs/dbraw/zinc/32/69/10/634326910.db2.gz SFMRZOLCUSLFNB-WAYWQWQTSA-N 0 1 285.391 3.106 20 10 CGCDMN Cc1cc(N(C)C)ccc1CNCc1cc(C2CC2)no1 ZINC000877031471 634956253 /nfs/dbraw/zinc/95/62/53/634956253.db2.gz RJGFOYTTXRDPSG-UHFFFAOYSA-N 0 1 285.391 3.216 20 10 CGCDMN CSCCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840898952 635078317 /nfs/dbraw/zinc/07/83/17/635078317.db2.gz JJBVHCGCFGSGKE-UHFFFAOYSA-N 0 1 259.802 3.197 20 10 CGCDMN CC[C@H]1C[N@H+](Cc2c([O-])cc(C)cc2Cl)CCCO1 ZINC000840942508 635088633 /nfs/dbraw/zinc/08/86/33/635088633.db2.gz YIJUCEVAFSZUFU-LBPRGKRZSA-N 0 1 283.799 3.355 20 10 CGCDMN CC[C@H]1C[N@@H+](Cc2c([O-])cc(C)cc2Cl)CCCO1 ZINC000840942508 635088635 /nfs/dbraw/zinc/08/86/35/635088635.db2.gz YIJUCEVAFSZUFU-LBPRGKRZSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000840943314 635088788 /nfs/dbraw/zinc/08/87/88/635088788.db2.gz LHDZKXHGKQNEAM-HOCLYGCPSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000840943314 635088790 /nfs/dbraw/zinc/08/87/90/635088790.db2.gz LHDZKXHGKQNEAM-HOCLYGCPSA-N 0 1 295.810 3.497 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c(Cl)c1 ZINC000840946983 635089504 /nfs/dbraw/zinc/08/95/04/635089504.db2.gz IUIRMNCEKUODQO-RYUDHWBXSA-N 0 1 283.799 3.116 20 10 CGCDMN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1O ZINC000840997010 635100621 /nfs/dbraw/zinc/10/06/21/635100621.db2.gz GUXYAVLNNNZNIA-LLVKDONJSA-N 0 1 297.782 3.041 20 10 CGCDMN COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841743414 635220361 /nfs/dbraw/zinc/22/03/61/635220361.db2.gz FZVBSFNPPDQGBC-SNVBAGLBSA-N 0 1 292.766 3.300 20 10 CGCDMN CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745766 635221481 /nfs/dbraw/zinc/22/14/81/635221481.db2.gz AJAJSYPUASYLGR-VXGBXAGGSA-N 0 1 284.831 3.427 20 10 CGCDMN C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000841746032 635222220 /nfs/dbraw/zinc/22/22/20/635222220.db2.gz UGIHWHDYCFCQRK-ZYHUDNBSSA-N 0 1 269.772 3.265 20 10 CGCDMN C[C@H]([NH2+]Cc1ccccc1CO)c1ccc(Cl)cc1[O-] ZINC000841745118 635222579 /nfs/dbraw/zinc/22/25/79/635222579.db2.gz NIJUFZGTLFAIHD-NSHDSACASA-N 0 1 291.778 3.389 20 10 CGCDMN Cc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])on1 ZINC000841748054 635223931 /nfs/dbraw/zinc/22/39/31/635223931.db2.gz VRVDZQOSQUXVSR-SECBINFHSA-N 0 1 266.728 3.193 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(Cl)cc1[O-] ZINC000841752822 635227537 /nfs/dbraw/zinc/22/75/37/635227537.db2.gz CIMKVTGAFNDAKT-FOGDFJRCSA-N 0 1 269.772 3.264 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(Cl)cc1[O-] ZINC000841757092 635231122 /nfs/dbraw/zinc/23/11/22/635231122.db2.gz MCRDKMJWMMGKSW-NOZJJQNGSA-N 0 1 269.772 3.121 20 10 CGCDMN CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757199 635232018 /nfs/dbraw/zinc/23/20/18/635232018.db2.gz BUZGFHGZCDUIOV-QMTHXVAHSA-N 0 1 271.788 3.103 20 10 CGCDMN C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841765576 635234673 /nfs/dbraw/zinc/23/46/73/635234673.db2.gz ZUNGWHYNPAEERH-IAQYHMDHSA-N 0 1 291.778 3.430 20 10 CGCDMN CO[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])CC(C)C ZINC000841888533 635247119 /nfs/dbraw/zinc/24/71/19/635247119.db2.gz KXWSUQRMCSBIMD-ZDUSSCGKSA-N 0 1 271.788 3.196 20 10 CGCDMN CO[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)CC(C)C ZINC000841888686 635247279 /nfs/dbraw/zinc/24/72/79/635247279.db2.gz NGJSFQSZVJHKNA-LLVKDONJSA-N 0 1 271.788 3.196 20 10 CGCDMN COCCCC[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000841893896 635248605 /nfs/dbraw/zinc/24/86/05/635248605.db2.gz LCVUFTVEQAQXGT-UHFFFAOYSA-N 0 1 275.751 3.043 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000843417186 635663378 /nfs/dbraw/zinc/66/33/78/635663378.db2.gz QRNMWEGXXIVPBD-DZGCQCFKSA-N 0 1 295.810 3.437 20 10 CGCDMN CCOc1ccc(CN2CC(C)(CC(F)F)C2)c(O)c1 ZINC000843425040 635669904 /nfs/dbraw/zinc/66/99/04/635669904.db2.gz RTEUMZNKSLUGDQ-UHFFFAOYSA-N 0 1 285.334 3.268 20 10 CGCDMN CC[C@H](NCc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC000843431451 635672312 /nfs/dbraw/zinc/67/23/12/635672312.db2.gz RQCRZBXUUMHMAJ-LBPRGKRZSA-N 0 1 299.798 3.256 20 10 CGCDMN C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CC2(CCC2)O1 ZINC000843431696 635673139 /nfs/dbraw/zinc/67/31/39/635673139.db2.gz BSIKUDPXXMHMHM-JTQLQIEISA-N 0 1 299.773 3.328 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CCC([C@H](C)CO)CC2)c(Cl)c1 ZINC000846057813 636140084 /nfs/dbraw/zinc/14/00/84/636140084.db2.gz JSMVUXBDFSXRJD-GFCCVEGCSA-N 0 1 297.826 3.194 20 10 CGCDMN CCN(CC)c1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1F ZINC000846109639 636145321 /nfs/dbraw/zinc/14/53/21/636145321.db2.gz DZTZYTJZYVEROQ-BETUJISGSA-N 0 1 298.352 3.369 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCSC1 ZINC000129237916 636198732 /nfs/dbraw/zinc/19/87/32/636198732.db2.gz RBVCUBKQNAZSKB-NSHDSACASA-N 0 1 257.786 3.031 20 10 CGCDMN C[C@@H]([NH2+]CCc1ccns1)c1ccc(Cl)cc1[O-] ZINC000883247630 636617652 /nfs/dbraw/zinc/61/76/52/636617652.db2.gz QVXWJUKKGKHTED-SECBINFHSA-N 0 1 282.796 3.395 20 10 CGCDMN Cc1cc(N(C)C)ccc1CNCc1noc2ccccc12 ZINC000848930166 636701383 /nfs/dbraw/zinc/70/13/83/636701383.db2.gz NNWBUEIRHFRRRO-UHFFFAOYSA-N 0 1 295.386 3.492 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883370276 636711713 /nfs/dbraw/zinc/71/17/13/636711713.db2.gz IYLVLZMZEQKGKK-CABCVRRESA-N 0 1 281.783 3.237 20 10 CGCDMN CCOc1cccc(C[N@H+]2CCC[C@H](CC)C2)c1O ZINC000132255979 636797288 /nfs/dbraw/zinc/79/72/88/636797288.db2.gz HDXBSQXTONUQMO-ZDUSSCGKSA-N 0 1 263.381 3.413 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2COC3(CCC3)C2)c(Cl)c1 ZINC000850369663 637032356 /nfs/dbraw/zinc/03/23/56/637032356.db2.gz ILTUXHYPIHSIAU-LLVKDONJSA-N 0 1 281.783 3.155 20 10 CGCDMN CC[C@@H](NCc1nccc(OC)c1F)c1ccccc1O ZINC000850536320 637112754 /nfs/dbraw/zinc/11/27/54/637112754.db2.gz FLHGYXYJHQITBW-GFCCVEGCSA-N 0 1 290.338 3.176 20 10 CGCDMN CCCN1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000850554419 637120795 /nfs/dbraw/zinc/12/07/95/637120795.db2.gz JJEIGYMCCYREAI-YPMHNXCESA-N 0 1 282.815 3.181 20 10 CGCDMN C[C@@H](N[C@@H](C)c1nccn1C)c1cc2c(cc1O)CCCC2 ZINC000850573084 637129670 /nfs/dbraw/zinc/12/96/70/637129670.db2.gz UDPBIOXJEXUZQB-OLZOCXBDSA-N 0 1 299.418 3.416 20 10 CGCDMN CN(C)c1cc(F)c(CNCc2cccc(F)c2)cc1F ZINC000858092653 638625997 /nfs/dbraw/zinc/62/59/97/638625997.db2.gz YTSSXOHVRGDJHW-UHFFFAOYSA-N 0 1 294.320 3.460 20 10 CGCDMN CC[C@@H](NCc1ccc(N(C)C)cc1)c1nccs1 ZINC000078004295 640276842 /nfs/dbraw/zinc/27/68/42/640276842.db2.gz FZUVVRBQPPNHAN-CQSZACIVSA-N 0 1 275.421 3.450 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1cccs1 ZINC000083551405 640597384 /nfs/dbraw/zinc/59/73/84/640597384.db2.gz QAHJZEWPQKLQPP-UHFFFAOYSA-N 0 1 267.781 3.439 20 10 CGCDMN Cc1ccc(N2CCCc3cc(O)c(O)cc3C2)nc1C ZINC001155941427 805626634 /nfs/dbraw/zinc/62/66/34/805626634.db2.gz PFLOQWSLAPEPIA-UHFFFAOYSA-N 0 1 284.359 3.062 20 10 CGCDMN Oc1ccc(-c2nc3ccc4ncccc4c3[nH]2)cc1O ZINC001250465185 805633595 /nfs/dbraw/zinc/63/35/95/805633595.db2.gz ZSIDWDMNWAHVPP-UHFFFAOYSA-N 0 1 277.283 3.189 20 10 CGCDMN COc1cc(-c2nc3c(cc(F)cc3C)[nH]2)cc(O)c1O ZINC001250490164 805649688 /nfs/dbraw/zinc/64/96/88/805649688.db2.gz VHYNNLCDGZPZSK-UHFFFAOYSA-N 0 1 288.278 3.097 20 10 CGCDMN Cc1c2[nH]c(-c3cc(O)c(O)c(O)c3)nc2ccc1Cl ZINC001251248460 805873043 /nfs/dbraw/zinc/87/30/43/805873043.db2.gz SHHGKJKAVRNEDI-UHFFFAOYSA-N 0 1 290.706 3.309 20 10 CGCDMN Cc1cc2nc(-c3cc(O)c(O)cc3O)[nH]c2cc1Cl ZINC001251355578 805885833 /nfs/dbraw/zinc/88/58/33/805885833.db2.gz UXXRJKBJLAZMNZ-UHFFFAOYSA-N 0 1 290.706 3.309 20 10 CGCDMN CCN1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC001254720986 806487056 /nfs/dbraw/zinc/48/70/56/806487056.db2.gz FGJVCEOTZTWQGH-RYUDHWBXSA-N 0 1 298.377 3.053 20 10 CGCDMN Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000038011158 798883989 /nfs/dbraw/zinc/88/39/89/798883989.db2.gz RBAPJNXQDZOQIE-GFCCVEGCSA-N 0 1 281.359 3.428 20 10 CGCDMN C[N@@H+](CCc1ccccc1)Cc1cccc(F)c1[O-] ZINC000160241327 799075452 /nfs/dbraw/zinc/07/54/52/799075452.db2.gz OESJWPKAVXNXKD-UHFFFAOYSA-N 0 1 259.324 3.206 20 10 CGCDMN C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000161294257 799079974 /nfs/dbraw/zinc/07/99/74/799079974.db2.gz GGCFNNMQLJZFCB-ZJUUUORDSA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000161294257 799079982 /nfs/dbraw/zinc/07/99/82/799079982.db2.gz GGCFNNMQLJZFCB-ZJUUUORDSA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@H]([NH2+]C1(C)CC1)c1cc(Br)ccc1[O-] ZINC000308892803 799218145 /nfs/dbraw/zinc/21/81/45/799218145.db2.gz YJLPRDQONSEPLL-QMMMGPOBSA-N 0 1 270.170 3.358 20 10 CGCDMN C[C@@H]([NH2+]CCC1(CO)CC1)c1ccc2ccccc2c1[O-] ZINC000395851732 799507438 /nfs/dbraw/zinc/50/74/38/799507438.db2.gz MCRYPAQXNMCGAN-CYBMUJFWSA-N 0 1 285.387 3.359 20 10 CGCDMN CC1CC([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706830547 799967112 /nfs/dbraw/zinc/96/71/12/799967112.db2.gz ZYYDYANCJQWLOF-UHFFFAOYSA-N 0 1 270.170 3.043 20 10 CGCDMN Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](CF)C1 ZINC000711479456 800062364 /nfs/dbraw/zinc/06/23/64/800062364.db2.gz XYYGYTXBCMARBY-JTQLQIEISA-N 0 1 257.736 3.227 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711479456 800062367 /nfs/dbraw/zinc/06/23/67/800062367.db2.gz XYYGYTXBCMARBY-JTQLQIEISA-N 0 1 257.736 3.227 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](CF)C1 ZINC000711479456 800062374 /nfs/dbraw/zinc/06/23/74/800062374.db2.gz XYYGYTXBCMARBY-JTQLQIEISA-N 0 1 257.736 3.227 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H]1CCCS1 ZINC000715666544 800142854 /nfs/dbraw/zinc/14/28/54/800142854.db2.gz KGOFVRPUCGKPSO-GFCCVEGCSA-N 0 1 271.813 3.421 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC[C@H](C)O2)c(Cl)c1 ZINC000850379417 800518104 /nfs/dbraw/zinc/51/81/04/800518104.db2.gz OEEYPMKYEKNGLM-NWDGAFQWSA-N 0 1 283.799 3.401 20 10 CGCDMN C[C@]1(CO)CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001117760053 802489890 /nfs/dbraw/zinc/48/98/90/802489890.db2.gz KLYNEUATNNWVDH-SFHVURJKSA-N 0 1 285.387 3.140 20 10 CGCDMN C[C@]1(CO)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001117760053 802489894 /nfs/dbraw/zinc/48/98/94/802489894.db2.gz KLYNEUATNNWVDH-SFHVURJKSA-N 0 1 285.387 3.140 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1C=CCCC1 ZINC001118801035 802604986 /nfs/dbraw/zinc/60/49/86/802604986.db2.gz LGIFYHZAZXOGLC-SNVBAGLBSA-N 0 1 282.181 3.353 20 10 CGCDMN Cn1c(=O)ccc2ccc(-c3cccc4nc[nH]c43)cc21 ZINC001243935206 803086737 /nfs/dbraw/zinc/08/67/37/803086737.db2.gz UXVTZBHQFVPADL-UHFFFAOYSA-N 0 1 275.311 3.082 20 10 CGCDMN [O-]c1cccc(F)c1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001137833179 803781321 /nfs/dbraw/zinc/78/13/21/803781321.db2.gz WFSDGRRXUGIYCT-KOLCDFICSA-N 0 1 271.282 3.008 20 10 CGCDMN C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CCC[C@@H]1C ZINC001138122584 803861981 /nfs/dbraw/zinc/86/19/81/803861981.db2.gz ONJWDXDVPDNHMH-RYUDHWBXSA-N 0 1 251.345 3.399 20 10 CGCDMN Cc1c(CN2C[C@@H](C)OC[C@@H]2C)c2ccccc2n1C ZINC001138259111 803885955 /nfs/dbraw/zinc/88/59/55/803885955.db2.gz BNGMOBRTKWUHQG-QWHCGFSZSA-N 0 1 272.392 3.096 20 10 CGCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCCC1(C)C ZINC001139127432 804133446 /nfs/dbraw/zinc/13/34/46/804133446.db2.gz WAYFBDLXZDVCJO-UHFFFAOYSA-N 0 1 287.359 3.181 20 10 CGCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)C(C)(C)C ZINC001139126902 804133632 /nfs/dbraw/zinc/13/36/32/804133632.db2.gz AYAHXRYQILQDFM-UHFFFAOYSA-N 0 1 275.348 3.037 20 10 CGCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCCCC12CC2 ZINC001139131093 804134744 /nfs/dbraw/zinc/13/47/44/804134744.db2.gz NDGGUGUFAHWAPQ-UHFFFAOYSA-N 0 1 299.370 3.326 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001139683357 804251858 /nfs/dbraw/zinc/25/18/58/804251858.db2.gz HOINJJZLZIVKDV-LBPRGKRZSA-N 0 1 290.313 3.055 20 10 CGCDMN Oc1cccc(Cl)c1CN1CCCC[C@H](F)C1 ZINC001140338072 804417581 /nfs/dbraw/zinc/41/75/81/804417581.db2.gz UBZPJWVIPGXEPT-JTQLQIEISA-N 0 1 257.736 3.370 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(CC2)CC1 ZINC001140338074 804418178 /nfs/dbraw/zinc/41/81/78/804418178.db2.gz UDDUNHYQSCKXDH-UHFFFAOYSA-N 0 1 251.757 3.422 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)CC[C@]1(C)O ZINC001140337722 804418701 /nfs/dbraw/zinc/41/87/01/804418701.db2.gz BCSPTPFDRCALOL-ABAIWWIYSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)CC[C@]1(C)O ZINC001140337722 804418704 /nfs/dbraw/zinc/41/87/04/804418704.db2.gz BCSPTPFDRCALOL-ABAIWWIYSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1C[C@H]2C[N@H+](Cc3c([O-])cccc3Cl)CC[C@H]2O1 ZINC001140339543 804420503 /nfs/dbraw/zinc/42/05/03/804420503.db2.gz WUXSLXACJYYBDR-ZIBATOQPSA-N 0 1 281.783 3.045 20 10 CGCDMN C[C@H]1C[C@H]2C[N@@H+](Cc3c([O-])cccc3Cl)CC[C@H]2O1 ZINC001140339543 804420506 /nfs/dbraw/zinc/42/05/06/804420506.db2.gz WUXSLXACJYYBDR-ZIBATOQPSA-N 0 1 281.783 3.045 20 10 CGCDMN COC(C)(C)[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC001140341451 804420671 /nfs/dbraw/zinc/42/06/71/804420671.db2.gz ONWVWBPJCIMQJF-CQSZACIVSA-N 0 1 283.799 3.435 20 10 CGCDMN COC(C)(C)[C@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC001140341451 804420674 /nfs/dbraw/zinc/42/06/74/804420674.db2.gz ONWVWBPJCIMQJF-CQSZACIVSA-N 0 1 283.799 3.435 20 10 CGCDMN CC[N@@H+](Cc1ccccn1)Cc1c([O-])cc(F)cc1F ZINC001140583240 804465881 /nfs/dbraw/zinc/46/58/81/804465881.db2.gz ASNVKSZGYAHTNF-UHFFFAOYSA-N 0 1 278.302 3.088 20 10 CGCDMN Cc1ccc(F)cc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001140595006 804471269 /nfs/dbraw/zinc/47/12/69/804471269.db2.gz WUXHKQXWBBIOKT-UHFFFAOYSA-N 0 1 271.335 3.398 20 10 CGCDMN CN(C)c1ccc(CN(C)[C@H]2CCCOC2)c(Cl)c1 ZINC001140925550 804551079 /nfs/dbraw/zinc/55/10/79/804551079.db2.gz CWWYVEZTMRHWDE-AWEZNQCLSA-N 0 1 282.815 3.017 20 10 CGCDMN Cc1ccc(CN2CCC[C@@H]2c2nccs2)c(O)c1 ZINC001140951052 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/nfs/dbraw/zinc/89/24/96/819892496.db2.gz FQOUMGOQKRDSFS-UHFFFAOYSA-N 0 1 257.736 3.417 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001462333858 937633347 /nfs/dbraw/zinc/63/33/47/937633347.db2.gz OPSZUSIZDFUDQA-ZJUUUORDSA-N 0 1 273.710 3.133 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC001308961663 933214283 /nfs/dbraw/zinc/21/42/83/933214283.db2.gz ZVPGSXJYHGYCHY-HIFRSBDPSA-N 0 1 281.783 3.093 20 10 CGCDMN Cc1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)[nH]n1 ZINC001319687618 933915679 /nfs/dbraw/zinc/91/56/79/933915679.db2.gz PGBRXGBLZAVHJF-UHFFFAOYSA-N 0 1 286.423 3.195 20 10 CGCDMN COc1cccnc1CN[C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001324551331 934523713 /nfs/dbraw/zinc/52/37/13/934523713.db2.gz PBRWPTLFKNKRAT-OLZOCXBDSA-N 0 1 298.386 3.442 20 10 CGCDMN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1C[C@@H](C)n2ncnc21 ZINC001333321376 935526148 /nfs/dbraw/zinc/52/61/48/935526148.db2.gz JAMWSPUPUOORIV-NDBYEHHHSA-N 0 1 298.390 3.136 20 10 CGCDMN CCOc1ncccc1CNCc1ccc2c(c1)CCCO2 ZINC001335151024 936132092 /nfs/dbraw/zinc/13/20/92/936132092.db2.gz QRFLBWLDXFQHFW-UHFFFAOYSA-N 0 1 298.386 3.095 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001474295140 937848872 /nfs/dbraw/zinc/84/88/72/937848872.db2.gz WRKXGBINRJHWMK-OUJBWJOFSA-N 0 1 296.208 3.433 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@@H](CO)CC1CCCC1 ZINC001474478658 937862218 /nfs/dbraw/zinc/86/22/18/937862218.db2.gz GKTCGZOCOUTMRS-ZDUSSCGKSA-N 0 1 297.826 3.324 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c(Cl)c1 ZINC001560605734 938265057 /nfs/dbraw/zinc/26/50/57/938265057.db2.gz WKOAIBMNZXOSJO-LRDDRELGSA-N 0 1 295.810 3.401 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cc(F)cc(F)c2[O-])[C@H]1C1CC1 ZINC001560868661 938280629 /nfs/dbraw/zinc/28/06/29/938280629.db2.gz LJPDLTDGMNHTAB-AWEZNQCLSA-N 0 1 267.319 3.291 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(N)c2)c(Cl)c1 ZINC001579637749 962646476 /nfs/dbraw/zinc/64/64/76/962646476.db2.gz APOAIXGHKFVPMV-UHFFFAOYSA-N 0 1 276.767 3.226 20 10 CGCDMN C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000288609933 371741127 /nfs/dbraw/zinc/74/11/27/371741127.db2.gz QLXKXMWILAIRMT-KPZWWZAWSA-N 0 1 281.355 3.233 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCSC1 ZINC000295424483 372776802 /nfs/dbraw/zinc/77/68/02/372776802.db2.gz SMWNLTYLXZGYEX-VIFPVBQESA-N 0 1 275.776 3.122 20 10 CGCDMN C[C@@]1(F)CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000295998484 372988781 /nfs/dbraw/zinc/98/87/81/372988781.db2.gz KUMCWZKKNVNRKE-CYBMUJFWSA-N 0 1 257.736 3.370 20 10 CGCDMN Cc1cnc(CC[N@H+](C)Cc2cccc(C)c2O)s1 ZINC000180558089 374023245 /nfs/dbraw/zinc/02/32/45/374023245.db2.gz WZWWVJOJKMLTBC-UHFFFAOYSA-N 0 1 276.405 3.140 20 10 CGCDMN CC1(C)C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)CCO1 ZINC000228085025 376426794 /nfs/dbraw/zinc/42/67/94/376426794.db2.gz KAWOOZOSDMFFNY-JTQLQIEISA-N 0 1 269.772 3.093 20 10 CGCDMN C[C@H]([NH2+]CC(C)(C)N(C)C)c1cc(Cl)ccc1[O-] ZINC000273376053 378744186 /nfs/dbraw/zinc/74/41/86/378744186.db2.gz HGZNAFNHBJCSAE-JTQLQIEISA-N 0 1 270.804 3.036 20 10 CGCDMN C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1cnn(C)c1 ZINC000273551306 378752606 /nfs/dbraw/zinc/75/26/06/378752606.db2.gz GBUKKXNNJRXSJO-NXEZZACHSA-N 0 1 279.771 3.191 20 10 CGCDMN C[C@]1([NH2+]Cc2cc(Cl)ccc2[O-])CCO[C@H]1C1CC1 ZINC000371746905 379174134 /nfs/dbraw/zinc/17/41/34/379174134.db2.gz MXWVQHCCBRTHGU-GJZGRUSLSA-N 0 1 281.783 3.093 20 10 CGCDMN C[C@@H](N[C@H](C)c1c(F)cncc1F)c1ccccc1O ZINC000285707418 380153376 /nfs/dbraw/zinc/15/33/76/380153376.db2.gz PHEQEMDYOOZZNH-NXEZZACHSA-N 0 1 278.302 3.477 20 10 CGCDMN Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000362048916 381882752 /nfs/dbraw/zinc/88/27/52/381882752.db2.gz XXKMBXCNGFJUJY-INIZCTEOSA-N 0 1 285.391 3.080 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCCOCC1)c1cc(Cl)ccc1[O-] ZINC000186234093 262085440 /nfs/dbraw/zinc/08/54/40/262085440.db2.gz SKQWSTGLEDYTKL-PWSUYJOCSA-N 0 1 269.772 3.265 20 10 CGCDMN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000289756038 263111928 /nfs/dbraw/zinc/11/19/28/263111928.db2.gz QWBQZHVEABDHLM-JSGCOSHPSA-N 0 1 281.371 3.047 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000291700912 520483021 /nfs/dbraw/zinc/48/30/21/520483021.db2.gz ZBEQVPBDGSRXIB-UKRRQHHQSA-N 0 1 295.810 3.435 20 10 CGCDMN CCN(CC)c1ccc(CNCc2c(C)noc2C)cc1 ZINC000069749874 520909448 /nfs/dbraw/zinc/90/94/48/520909448.db2.gz DEZNOFLOMJKHSO-UHFFFAOYSA-N 0 1 287.407 3.427 20 10 CGCDMN COCC(C)(C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000293301490 522814034 /nfs/dbraw/zinc/81/40/34/522814034.db2.gz DTYHMBFRMXZUCM-SNVBAGLBSA-N 0 1 271.788 3.369 20 10 CGCDMN COc1ccc(CNCc2cn3cc(C)ccc3n2)cc1C ZINC000264396487 524073332 /nfs/dbraw/zinc/07/33/32/524073332.db2.gz UQXSFVNRNUYIER-UHFFFAOYSA-N 0 1 295.386 3.250 20 10 CGCDMN Cc1ccoc1CNCc1ccc(N(C)C)c(F)c1 ZINC000266180692 525803084 /nfs/dbraw/zinc/80/30/84/525803084.db2.gz GCOOGMASEHJEMI-UHFFFAOYSA-N 0 1 262.328 3.083 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])[C@H]1C ZINC000245689730 618166331 /nfs/dbraw/zinc/16/63/31/618166331.db2.gz AQBPSBYJGNQYFP-UWVGGRQHSA-N 0 1 284.197 3.385 20 10 CGCDMN CN(Cc1ccc(N(C)C)cc1)Cc1cccc2c1OCO2 ZINC000161638272 618704887 /nfs/dbraw/zinc/70/48/87/618704887.db2.gz OGWHLLQVFQGTGW-UHFFFAOYSA-N 0 1 298.386 3.113 20 10 CGCDMN CN(Cc1ccccc1O)Cc1ncccc1C(F)(F)F ZINC000091956529 618782682 /nfs/dbraw/zinc/78/26/82/618782682.db2.gz CCZQSUPTRJEHBB-UHFFFAOYSA-N 0 1 296.292 3.438 20 10 CGCDMN CCOC[C@@H]1CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840918181 619137699 /nfs/dbraw/zinc/13/76/99/619137699.db2.gz DSHPUFZOMMHCTH-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN CCOC[C@@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840918181 619137702 /nfs/dbraw/zinc/13/77/02/619137702.db2.gz DSHPUFZOMMHCTH-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN CCOC[C@@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840918181 619137703 /nfs/dbraw/zinc/13/77/03/619137703.db2.gz DSHPUFZOMMHCTH-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN CC(C)([NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC000230674594 619287573 /nfs/dbraw/zinc/28/75/73/619287573.db2.gz KMPFHFXROBJLDE-UHFFFAOYSA-N 0 1 284.197 3.433 20 10 CGCDMN C[C@H](c1ccco1)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893932214 619335578 /nfs/dbraw/zinc/33/55/78/619335578.db2.gz ZGCNLFJQQKOFOB-SECBINFHSA-N 0 1 267.275 3.456 20 10 CGCDMN COc1cc(C)cc(CN(C)Cc2cccc(C)n2)c1O ZINC000894050155 619359303 /nfs/dbraw/zinc/35/93/03/619359303.db2.gz PQNQXQVLFSAYCJ-UHFFFAOYSA-N 0 1 286.375 3.045 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000894375668 619509488 /nfs/dbraw/zinc/50/94/88/619509488.db2.gz UGTCOBULFCDTSZ-OAHLLOKOSA-N 0 1 297.345 3.061 20 10 CGCDMN Cc1cc(CN[C@H](C)c2cc3c(cc2O)CCCC3)on1 ZINC000185357377 625351481 /nfs/dbraw/zinc/35/14/81/625351481.db2.gz QDSGWAQGEDWLAB-GFCCVEGCSA-N 0 1 286.375 3.418 20 10 CGCDMN Cc1cccc2nc(CN[C@@H](C)c3cc(F)ccc3O)cn21 ZINC000185412855 625356662 /nfs/dbraw/zinc/35/66/62/625356662.db2.gz GHQSMGIAGYIRMK-LBPRGKRZSA-N 0 1 299.349 3.338 20 10 CGCDMN C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)[C@H](C)[C@@H](C)O1 ZINC000792180195 619604183 /nfs/dbraw/zinc/60/41/83/619604183.db2.gz NMJTUBKVJGFCGD-OPRDCNLKSA-N 0 1 287.762 3.182 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CF)C2)cc1Cl ZINC000895568039 619854052 /nfs/dbraw/zinc/85/40/52/619854052.db2.gz LPGLSTNTLQRRJJ-JTQLQIEISA-N 0 1 257.736 3.145 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CF)C2)cc1Cl ZINC000895568039 619854053 /nfs/dbraw/zinc/85/40/53/619854053.db2.gz LPGLSTNTLQRRJJ-JTQLQIEISA-N 0 1 257.736 3.145 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895845684 619893801 /nfs/dbraw/zinc/89/38/01/619893801.db2.gz HWNISKVQDZUGFF-BXUZGUMPSA-N 0 1 281.783 3.047 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCn2cccc2C1 ZINC000896760580 620056883 /nfs/dbraw/zinc/05/68/83/620056883.db2.gz CLTCCCGSVKDKMG-UHFFFAOYSA-N 0 1 280.730 3.002 20 10 CGCDMN COc1ccccc1CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000227434458 623019370 /nfs/dbraw/zinc/01/93/70/623019370.db2.gz NMOFOTAPWVCXNX-UHFFFAOYSA-N 0 1 291.778 3.387 20 10 CGCDMN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])CC1CCC1 ZINC000230324049 623235108 /nfs/dbraw/zinc/23/51/08/623235108.db2.gz SNADHNXNNQXSBJ-UHFFFAOYSA-N 0 1 279.355 3.356 20 10 CGCDMN C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000231750887 623339033 /nfs/dbraw/zinc/33/90/33/623339033.db2.gz PVPWLEQDQPLUEA-ZETCQYMHSA-N 0 1 267.678 3.476 20 10 CGCDMN Cc1ccc(CN(C)Cc2ccc(N(C)C)cc2)nc1 ZINC000155188290 624448230 /nfs/dbraw/zinc/44/82/30/624448230.db2.gz ZIVMRVVPXOSSDV-UHFFFAOYSA-N 0 1 269.392 3.088 20 10 CGCDMN Oc1ccccc1CNCc1cc(-c2ccccc2)on1 ZINC000238104952 624733753 /nfs/dbraw/zinc/73/37/53/624733753.db2.gz LDNCIESJBQDWPL-UHFFFAOYSA-N 0 1 280.327 3.337 20 10 CGCDMN Cc1cccnc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000071339743 625078018 /nfs/dbraw/zinc/07/80/18/625078018.db2.gz ZUBBUQBBBDVXKY-CQSZACIVSA-N 0 1 269.392 3.307 20 10 CGCDMN Cc1ncsc1CNCc1ccc2c(c1)CCCO2 ZINC000921692976 625845491 /nfs/dbraw/zinc/84/54/91/625845491.db2.gz ATPVUHYVPSVEOX-UHFFFAOYSA-N 0 1 274.389 3.066 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CCS1 ZINC000922836253 626053603 /nfs/dbraw/zinc/05/36/03/626053603.db2.gz LCJOEJUFNFLRHY-VHSXEESVSA-N 0 1 271.813 3.419 20 10 CGCDMN CCc1onc(C)c1CNCc1ccc2c(c1)CCCO2 ZINC000922982057 626115095 /nfs/dbraw/zinc/11/50/95/626115095.db2.gz MOQOUASROKDEPR-UHFFFAOYSA-N 0 1 286.375 3.160 20 10 CGCDMN C[C@H](NCc1cn2ccccc2n1)c1cc(F)ccc1O ZINC000756363636 626696909 /nfs/dbraw/zinc/69/69/09/626696909.db2.gz QACCPIWJIOPKTH-NSHDSACASA-N 0 1 285.322 3.030 20 10 CGCDMN C[C@@H](NCc1cn2ccsc2n1)c1cc(F)ccc1O ZINC000756453967 626707151 /nfs/dbraw/zinc/70/71/51/626707151.db2.gz BSLQQRHPMSJNRG-SECBINFHSA-N 0 1 291.351 3.091 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCOC2)c2c1c(F)ccc2[O-] ZINC000756573555 626717073 /nfs/dbraw/zinc/71/70/73/626717073.db2.gz KUZLAJJNLBNZOI-RSAASHCRSA-N 0 1 279.355 3.096 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756676659 626726638 /nfs/dbraw/zinc/72/66/38/626726638.db2.gz MXACUABIOFEWBS-BYNQJWBRSA-N 0 1 293.382 3.484 20 10 CGCDMN CCC(CC)(CO)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756770899 626730795 /nfs/dbraw/zinc/73/07/95/626730795.db2.gz PIMHXMPMHLXTDY-WCQYABFASA-N 0 1 295.398 3.468 20 10 CGCDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1cn[nH]c1 ZINC000756776757 626731121 /nfs/dbraw/zinc/73/11/21/626731121.db2.gz RBOQLRCUSBOOEA-IUCAKERBSA-N 0 1 265.744 3.181 20 10 CGCDMN CC[C@@H]([NH2+][C@H](CO)CC(F)F)c1cc(Cl)ccc1[O-] ZINC000760040573 626937200 /nfs/dbraw/zinc/93/72/00/626937200.db2.gz SQJYEWQDLNJALK-GXSJLCMTSA-N 0 1 293.741 3.102 20 10 CGCDMN CC[C@H]([NH2+][C@@H](CO)CC(F)F)c1cc(Cl)ccc1[O-] ZINC000760040576 626937604 /nfs/dbraw/zinc/93/76/04/626937604.db2.gz SQJYEWQDLNJALK-KOLCDFICSA-N 0 1 293.741 3.102 20 10 CGCDMN Cc1cnc(CN(Cc2ccccc2O)C2CCCC2)nc1 ZINC000760840807 626996047 /nfs/dbraw/zinc/99/60/47/626996047.db2.gz PUIZFEJWFPIWBU-UHFFFAOYSA-N 0 1 297.402 3.435 20 10 CGCDMN COc1cccc(O)c1CN1CCc2c(F)cccc2C1 ZINC000769387104 627547529 /nfs/dbraw/zinc/54/75/29/627547529.db2.gz INMPWTINJSYSJN-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN COc1cccc(O)c1C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000769451193 627554445 /nfs/dbraw/zinc/55/44/45/627554445.db2.gz JDIZWOLCRYQCHR-OLZOCXBDSA-N 0 1 263.381 3.411 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000769451193 627554446 /nfs/dbraw/zinc/55/44/46/627554446.db2.gz JDIZWOLCRYQCHR-OLZOCXBDSA-N 0 1 263.381 3.411 20 10 CGCDMN COc1cccc([O-])c1C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000769451193 627554449 /nfs/dbraw/zinc/55/44/49/627554449.db2.gz JDIZWOLCRYQCHR-OLZOCXBDSA-N 0 1 263.381 3.411 20 10 CGCDMN CCc1noc(C)c1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000769868099 627584905 /nfs/dbraw/zinc/58/49/05/627584905.db2.gz NYHNPSIFMHGCCM-GFCCVEGCSA-N 0 1 287.407 3.462 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]CC2(CO)CCCC2)c2c1c(F)ccc2[O-] ZINC000769995769 627596469 /nfs/dbraw/zinc/59/64/69/627596469.db2.gz KRGNODXIFAUYGE-YPMHNXCESA-N 0 1 293.382 3.222 20 10 CGCDMN COc1c([O-])c(C[N@@H+](C(C)C)C2CCC2)ccc1[N+](=O)[O-] ZINC000774904199 628048463 /nfs/dbraw/zinc/04/84/63/628048463.db2.gz QDVZMUVIXLIWQE-UHFFFAOYSA-N 0 1 294.351 3.072 20 10 CGCDMN CC[C@@H](NCc1ccc(N(C)C)cc1C)c1nccn1C ZINC000775393467 628089444 /nfs/dbraw/zinc/08/94/44/628089444.db2.gz MEOWCSGEQRSEDC-MRXNPFEDSA-N 0 1 286.423 3.035 20 10 CGCDMN CC[C@H]([NH2+]C[C@H](C)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775499355 628101148 /nfs/dbraw/zinc/10/11/48/628101148.db2.gz RDYFMMBAQQAZCG-GWCFXTLKSA-N 0 1 270.804 3.036 20 10 CGCDMN CC[C@@H]([NH2+]CC1(O)CCCC1)c1cc(Cl)ccc1[O-] ZINC000775503942 628101604 /nfs/dbraw/zinc/10/16/04/628101604.db2.gz QSFIEOBLEDCWSA-CYBMUJFWSA-N 0 1 283.799 3.391 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)CCCO)c1cc(Cl)ccc1[O-] ZINC000775512722 628102607 /nfs/dbraw/zinc/10/26/07/628102607.db2.gz MEHZHCNVWZAQSO-GWCFXTLKSA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@H]([NH2+]CCC1(C)OCCO1)c1cc(Cl)ccc1[O-] ZINC000775555682 628106538 /nfs/dbraw/zinc/10/65/38/628106538.db2.gz OBYKPOTZUHSDBY-ZDUSSCGKSA-N 0 1 299.798 3.239 20 10 CGCDMN COc1ccc(O)c(CN2CCOc3ccccc3[C@H]2C)c1 ZINC000775658257 628121202 /nfs/dbraw/zinc/12/12/02/628121202.db2.gz MCZJWKNOAVXDEI-CYBMUJFWSA-N 0 1 299.370 3.356 20 10 CGCDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775736724 628130835 /nfs/dbraw/zinc/13/08/35/628130835.db2.gz IVOHHIQOTBEROK-DTWKUNHWSA-N 0 1 257.736 3.415 20 10 CGCDMN C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000776175036 628176831 /nfs/dbraw/zinc/17/68/31/628176831.db2.gz WCJREFNCPPOKKW-LLVKDONJSA-N 0 1 291.778 3.472 20 10 CGCDMN C[C@H](CCO)C1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000776258073 628186002 /nfs/dbraw/zinc/18/60/02/628186002.db2.gz QADSPEKGIWHGKH-GFCCVEGCSA-N 0 1 297.826 3.324 20 10 CGCDMN C[C@@H](Nc1cnn(-c2ccncc2)c1)c1ccccc1O ZINC000783529454 628722586 /nfs/dbraw/zinc/72/25/86/628722586.db2.gz UTGBXGZBQDQRKO-GFCCVEGCSA-N 0 1 280.331 3.146 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000783672732 628737609 /nfs/dbraw/zinc/73/76/09/628737609.db2.gz IJDGAYCDKIVHFE-LBPRGKRZSA-N 0 1 295.745 3.245 20 10 CGCDMN CO[C@@H](CC[NH2+]Cc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000786822810 628965050 /nfs/dbraw/zinc/96/50/50/628965050.db2.gz CWMRZBSUFLTPQE-NSHDSACASA-N 0 1 297.704 3.103 20 10 CGCDMN Cc1c[nH]c(CN(Cc2ccccc2O)C2CCCC2)n1 ZINC000862243148 629330357 /nfs/dbraw/zinc/33/03/57/629330357.db2.gz XIVQGOYKDDWASX-UHFFFAOYSA-N 0 1 285.391 3.369 20 10 CGCDMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792166872 629342739 /nfs/dbraw/zinc/34/27/39/629342739.db2.gz UVEWYSSFBCZNIK-RKDXNWHRSA-N 0 1 257.736 3.415 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@@H](C2CC2)O1 ZINC000793215419 629429515 /nfs/dbraw/zinc/42/95/15/629429515.db2.gz UPICVBBLXBHWSO-OTYXRUKQSA-N 0 1 299.773 3.184 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H](C2CC2)O1 ZINC000793215419 629429518 /nfs/dbraw/zinc/42/95/18/629429518.db2.gz UPICVBBLXBHWSO-OTYXRUKQSA-N 0 1 299.773 3.184 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H](C2CC2)O1 ZINC000793215419 629429523 /nfs/dbraw/zinc/42/95/23/629429523.db2.gz UPICVBBLXBHWSO-OTYXRUKQSA-N 0 1 299.773 3.184 20 10 CGCDMN CC[C@H]([NH2+]CCN1CC=CCC1)c1cc(Cl)ccc1[O-] ZINC000794831991 629584414 /nfs/dbraw/zinc/58/44/14/629584414.db2.gz FWRXMSFLEXNLJA-HNNXBMFYSA-N 0 1 294.826 3.348 20 10 CGCDMN CCCN(Cc1ccccc1O)[C@@H](CC(C)C)C(=O)OC ZINC000795925498 629726695 /nfs/dbraw/zinc/72/66/95/629726695.db2.gz HHMSNYPIBVXYOJ-HNNXBMFYSA-N 0 1 293.407 3.192 20 10 CGCDMN CCN(CC)c1ccc(CN(C)Cc2ccnc(C)n2)cc1 ZINC000796439224 629781055 /nfs/dbraw/zinc/78/10/55/629781055.db2.gz KTCFQLFOBTZKRQ-UHFFFAOYSA-N 0 1 298.434 3.263 20 10 CGCDMN CC(=O)c1cc(F)cc(CN2CC(C)=C[C@H](C)C2)c1O ZINC000797526278 629956973 /nfs/dbraw/zinc/95/69/73/629956973.db2.gz LAIVIGAQIQLHRJ-JTQLQIEISA-N 0 1 277.339 3.132 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC(C)=C[C@H](C)C2)c1[O-] ZINC000797526278 629956976 /nfs/dbraw/zinc/95/69/76/629956976.db2.gz LAIVIGAQIQLHRJ-JTQLQIEISA-N 0 1 277.339 3.132 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC(C)=C[C@H](C)C2)c1[O-] ZINC000797526278 629956980 /nfs/dbraw/zinc/95/69/80/629956980.db2.gz LAIVIGAQIQLHRJ-JTQLQIEISA-N 0 1 277.339 3.132 20 10 CGCDMN COCC1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCC1 ZINC000800493098 630287740 /nfs/dbraw/zinc/28/77/40/630287740.db2.gz JFSKGMNLQNQXOZ-YPMHNXCESA-N 0 1 293.382 3.486 20 10 CGCDMN Oc1cc2c(cc1CN1C[C@]3(CCCO3)[C@H]1C1CC1)CCC2 ZINC000840094696 630590948 /nfs/dbraw/zinc/59/09/48/630590948.db2.gz MOXCTPACBLZVAD-RTBURBONSA-N 0 1 299.414 3.024 20 10 CGCDMN C[C@H](NCc1c(O)ccc(Cl)c1F)C(F)(F)F ZINC000808436437 630645046 /nfs/dbraw/zinc/64/50/46/630645046.db2.gz WTWXQSBECFXPKN-YFKPBYRVSA-N 0 1 271.641 3.225 20 10 CGCDMN C[N@H+](Cc1ccc(O)cc1)Cc1c([O-])cccc1Cl ZINC000809753405 630800301 /nfs/dbraw/zinc/80/03/01/630800301.db2.gz IBIDBUJVZBBTFJ-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN C[N@@H+](Cc1ccc(O)cc1)Cc1c([O-])cccc1Cl ZINC000809753405 630800307 /nfs/dbraw/zinc/80/03/07/630800307.db2.gz IBIDBUJVZBBTFJ-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN CCOc1ccc(CN(Cc2ccccn2)C2CC2)c(O)c1 ZINC000809763539 630802157 /nfs/dbraw/zinc/80/21/57/630802157.db2.gz OSGCSUHVXZOXLH-UHFFFAOYSA-N 0 1 298.386 3.351 20 10 CGCDMN CC[C@@H]([NH2+]CCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208076 630853501 /nfs/dbraw/zinc/85/35/01/630853501.db2.gz RTJJXGJSJIJQGK-LLVKDONJSA-N 0 1 277.286 3.098 20 10 CGCDMN CC[C@@H]([NH2+]CCc1cn[nH]c1)c1cc(Cl)ccc1[O-] ZINC000810246485 630858792 /nfs/dbraw/zinc/85/87/92/630858792.db2.gz AXCXWRBGONLRJP-CYBMUJFWSA-N 0 1 279.771 3.052 20 10 CGCDMN COCC1(C[NH2+]Cc2cc(F)ccc2[O-])CCCCC1 ZINC000811518508 631083237 /nfs/dbraw/zinc/08/32/37/631083237.db2.gz NDGIEOSVQBGRLW-UHFFFAOYSA-N 0 1 281.371 3.218 20 10 CGCDMN Cc1cc(Cl)cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1[O-] ZINC000811519368 631083699 /nfs/dbraw/zinc/08/36/99/631083699.db2.gz VORWYPXZBMLYAB-OAHLLOKOSA-N 0 1 297.826 3.241 20 10 CGCDMN CC[C@H]1CO[C@H](C)CN1Cc1ccc(N(C)C)c(C)c1 ZINC000815017124 631703292 /nfs/dbraw/zinc/70/32/92/631703292.db2.gz GJZCJFVYBDHYGL-ZBFHGGJFSA-N 0 1 276.424 3.060 20 10 CGCDMN CCOc1ccc(O)c(CNc2cc3c(cn2)CCC3)c1 ZINC000815159676 631732816 /nfs/dbraw/zinc/73/28/16/631732816.db2.gz XRIACUMIPMUHKY-UHFFFAOYSA-N 0 1 284.359 3.287 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@H]2CCC[C@@H](O)C2)ccc2ccccc21 ZINC000816553503 632010275 /nfs/dbraw/zinc/01/02/75/632010275.db2.gz XRRAUVWAZIUGSF-XJKSGUPXSA-N 0 1 285.387 3.186 20 10 CGCDMN CO[C@@](C)(C[NH2+]Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000816616003 632024326 /nfs/dbraw/zinc/02/43/26/632024326.db2.gz LZKHPKHSGWNEQY-SFHVURJKSA-N 0 1 285.387 3.450 20 10 CGCDMN CCc1nocc1C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000816652784 632039078 /nfs/dbraw/zinc/03/90/78/632039078.db2.gz UHTRFFAWARHTDA-UHFFFAOYSA-N 0 1 298.745 3.367 20 10 CGCDMN C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000817954784 632250297 /nfs/dbraw/zinc/25/02/97/632250297.db2.gz JJSICBXKKRHAHJ-IAQYHMDHSA-N 0 1 290.794 3.396 20 10 CGCDMN C[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000817954783 632250447 /nfs/dbraw/zinc/25/04/47/632250447.db2.gz JJSICBXKKRHAHJ-ABAIWWIYSA-N 0 1 290.794 3.396 20 10 CGCDMN CN(C)c1ccc(/C=C\CN2CC(CC(F)F)C2)cc1 ZINC000822520619 632960054 /nfs/dbraw/zinc/96/00/54/632960054.db2.gz JENFBIVIGACZDW-ARJAWSKDSA-N 0 1 280.362 3.353 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cc(Cl)ccc1[O-] ZINC000866634776 633223783 /nfs/dbraw/zinc/22/37/83/633223783.db2.gz ULEDKCQDHXGARO-MFKMUULPSA-N 0 1 291.782 3.428 20 10 CGCDMN COC[C@@]1(C)CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000824583819 633262369 /nfs/dbraw/zinc/26/23/69/633262369.db2.gz RKKCDTCFCKOKFA-AWEZNQCLSA-N 0 1 287.762 3.043 20 10 CGCDMN C[C@H](CC(C)(C)O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824701975 633276104 /nfs/dbraw/zinc/27/61/04/633276104.db2.gz FMCDONHKWJMHHO-GFCCVEGCSA-N 0 1 273.376 3.185 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000824820247 633295866 /nfs/dbraw/zinc/29/58/66/633295866.db2.gz BXDNWWGNODCJBE-LKFCYVNXSA-N 0 1 287.762 3.042 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)c2ccsc2)cc1Cl ZINC000825291777 633342727 /nfs/dbraw/zinc/34/27/27/633342727.db2.gz PMKDRWCVDIMOBK-CQSZACIVSA-N 0 1 297.807 3.239 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccncc2)cc1Cl ZINC000825341525 633348129 /nfs/dbraw/zinc/34/81/29/633348129.db2.gz MTSFRIDECLDLIM-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CCC(CCCO)CC2)cc1Cl ZINC000825484640 633357091 /nfs/dbraw/zinc/35/70/91/633357091.db2.gz NZTHKRHXAQDQPN-UHFFFAOYSA-N 0 1 297.826 3.339 20 10 CGCDMN COc1cc(CN2CC3(CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000826030151 633399300 /nfs/dbraw/zinc/39/93/00/633399300.db2.gz PZFFIXYVVABEDL-UHFFFAOYSA-N 0 1 275.392 3.294 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCCc3n[nH]cc3C2)ccc2ccccc21 ZINC000828008436 633547981 /nfs/dbraw/zinc/54/79/81/633547981.db2.gz CKLOJYAEHLYBKW-UHFFFAOYSA-N 0 1 293.370 3.217 20 10 CGCDMN [O-]c1c(C[N@H+]2CCCc3n[nH]cc3C2)ccc2ccccc21 ZINC000828008436 633547985 /nfs/dbraw/zinc/54/79/85/633547985.db2.gz CKLOJYAEHLYBKW-UHFFFAOYSA-N 0 1 293.370 3.217 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)CCCO)c1[O-] ZINC000834870917 634261508 /nfs/dbraw/zinc/26/15/08/634261508.db2.gz LNXPWHMWAUWARC-ZYHUDNBSSA-N 0 1 285.815 3.413 20 10 CGCDMN CC[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cc(Cl)ccc1[O-] ZINC000834906920 634283653 /nfs/dbraw/zinc/28/36/53/634283653.db2.gz UIPXHOASYBZDQA-DZGCQCFKSA-N 0 1 283.799 3.247 20 10 CGCDMN CCn1ccnc1[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835055038 634339732 /nfs/dbraw/zinc/33/97/32/634339732.db2.gz PDWLRZDQDWPBIN-LFAOLKIESA-N 0 1 298.434 3.333 20 10 CGCDMN CC[C@H](NCc1cnc(C)o1)c1ccc(N(C)C)cc1 ZINC000840799090 635054052 /nfs/dbraw/zinc/05/40/52/635054052.db2.gz YLQQPESTBATUNU-INIZCTEOSA-N 0 1 273.380 3.290 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCOC2CCC2)c(Cl)c1 ZINC000840900635 635078311 /nfs/dbraw/zinc/07/83/11/635078311.db2.gz CHPQVQAUOIMJKA-UHFFFAOYSA-N 0 1 269.772 3.013 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@](C)(O)CC2)c(Cl)c1 ZINC000840941361 635088065 /nfs/dbraw/zinc/08/80/65/635088065.db2.gz VKDDHQHLYNCRNA-HNNXBMFYSA-N 0 1 283.799 3.091 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@](C)(O)CC2)c(Cl)c1 ZINC000840941361 635088069 /nfs/dbraw/zinc/08/80/69/635088069.db2.gz VKDDHQHLYNCRNA-HNNXBMFYSA-N 0 1 283.799 3.091 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CC(C3CCOCC3)C2)c(Cl)c1 ZINC000840942900 635088745 /nfs/dbraw/zinc/08/87/45/635088745.db2.gz MJVIUSRECKRZLT-UHFFFAOYSA-N 0 1 295.810 3.212 20 10 CGCDMN COC[C@]1(C)CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840950634 635090271 /nfs/dbraw/zinc/09/02/71/635090271.db2.gz MDIIPUHRGDOPEQ-OAHLLOKOSA-N 0 1 283.799 3.212 20 10 CGCDMN COC[C@]1(C)CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840950634 635090277 /nfs/dbraw/zinc/09/02/77/635090277.db2.gz MDIIPUHRGDOPEQ-OAHLLOKOSA-N 0 1 283.799 3.212 20 10 CGCDMN CCc1nc(C)c(CNCc2ccc(N(C)C)cc2C)o1 ZINC000840949799 635090431 /nfs/dbraw/zinc/09/04/31/635090431.db2.gz CQEAKCQRKBFYFB-UHFFFAOYSA-N 0 1 287.407 3.210 20 10 CGCDMN Cc1ccc(CN2CC(C)(CC(F)(F)F)C2)c(O)c1 ZINC000877581995 635101321 /nfs/dbraw/zinc/10/13/21/635101321.db2.gz CSAHSTHSLRVDAN-UHFFFAOYSA-N 0 1 273.298 3.475 20 10 CGCDMN CC(C)n1ccnc1CN[C@@H](C)c1ccccc1O ZINC000877758210 635187522 /nfs/dbraw/zinc/18/75/22/635187522.db2.gz NCXCZCNNAILQCR-LBPRGKRZSA-N 0 1 259.353 3.020 20 10 CGCDMN C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841748551 635223881 /nfs/dbraw/zinc/22/38/81/635223881.db2.gz AOHGNAUVRYXCGG-VXGBXAGGSA-N 0 1 282.815 3.038 20 10 CGCDMN C[C@H]([NH2+]CCOC(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000841751262 635225166 /nfs/dbraw/zinc/22/51/66/635225166.db2.gz GYVMLMASYDTPSS-ZETCQYMHSA-N 0 1 283.677 3.233 20 10 CGCDMN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753836 635227403 /nfs/dbraw/zinc/22/74/03/635227403.db2.gz WZOUTKXPLUZUIV-IVZWLZJFSA-N 0 1 257.761 3.120 20 10 CGCDMN Cc1nnsc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753210 635227547 /nfs/dbraw/zinc/22/75/47/635227547.db2.gz DWMZJDCSXWDVJI-SSDOTTSWSA-N 0 1 283.784 3.056 20 10 CGCDMN CCc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])on1 ZINC000841753672 635227629 /nfs/dbraw/zinc/22/76/29/635227629.db2.gz FRQOVMHIHRGMFC-SECBINFHSA-N 0 1 280.755 3.447 20 10 CGCDMN CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841765090 635234749 /nfs/dbraw/zinc/23/47/49/635234749.db2.gz UZBFHYFYIQBTHG-QMTHXVAHSA-N 0 1 271.788 3.247 20 10 CGCDMN COc1ccc(CN[C@@H]2COCc3ccccc32)cc1C ZINC000841889445 635247650 /nfs/dbraw/zinc/24/76/50/635247650.db2.gz BPXDDKODIJMLHW-QGZVFWFLSA-N 0 1 283.371 3.365 20 10 CGCDMN C[C@H]([NH2+]Cc1ccc(CO)cc1)c1cc(Cl)ccc1[O-] ZINC000842896168 635508216 /nfs/dbraw/zinc/50/82/16/635508216.db2.gz USVFWGJVMQMRSH-NSHDSACASA-N 0 1 291.778 3.389 20 10 CGCDMN C[C@H]1CN(Cc2cc(Cl)ccc2O)CC2(CCC2)O1 ZINC000843435130 635675786 /nfs/dbraw/zinc/67/57/86/635675786.db2.gz IGCSEKIWBXSQLN-NSHDSACASA-N 0 1 281.783 3.189 20 10 CGCDMN C[C@H](NCc1nnc(C2CC2)n1C1CC1)c1ccccc1O ZINC000879650544 635826776 /nfs/dbraw/zinc/82/67/76/635826776.db2.gz GSZGCYPRUIAJRF-NSHDSACASA-N 0 1 298.390 3.047 20 10 CGCDMN CCn1ccnc1[C@@H](C)N[C@H](C)c1cccc(OC)c1O ZINC000846168637 636151935 /nfs/dbraw/zinc/15/19/35/636151935.db2.gz LFWAZQKYZUHWIP-VXGBXAGGSA-N 0 1 289.379 3.029 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Cl)ccc1[O-] ZINC000846191551 636156954 /nfs/dbraw/zinc/15/69/54/636156954.db2.gz WQUVMEUOSBTTRM-ZRQNBYAXSA-N 0 1 281.783 3.406 20 10 CGCDMN CCc1cccc(CN2CCn3cccc3[C@H]2C)c1O ZINC000848877491 636669582 /nfs/dbraw/zinc/66/95/82/636669582.db2.gz SFFLTPNAFLZCKG-CYBMUJFWSA-N 0 1 270.376 3.333 20 10 CGCDMN CCN1CC[C@H]1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000883355561 636697458 /nfs/dbraw/zinc/69/74/58/636697458.db2.gz UHGZZWUZMPNAHX-HIFRSBDPSA-N 0 1 284.403 3.290 20 10 CGCDMN COc1cccc(OC)c1CNCc1cc(C)ccc1O ZINC000850355054 637025428 /nfs/dbraw/zinc/02/54/28/637025428.db2.gz CGCPXTIRBCJLSL-UHFFFAOYSA-N 0 1 287.359 3.008 20 10 CGCDMN C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(Cl)cc1[O-] ZINC000850521230 637100291 /nfs/dbraw/zinc/10/02/91/637100291.db2.gz 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[O-]c1cc(F)c(Cl)cc1C[N@H+]1CCCSCC1 ZINC000293681635 372447658 /nfs/dbraw/zinc/44/76/58/372447658.db2.gz RLGQRUKCCHIZMY-UHFFFAOYSA-N 0 1 275.776 3.124 20 10 CGCDMN Oc1c(Cl)cccc1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000179937987 373941299 /nfs/dbraw/zinc/94/12/99/373941299.db2.gz AAKINMKQPBRUEO-CYBMUJFWSA-N 0 1 291.782 3.496 20 10 CGCDMN Cc1cc(CN[C@@H](C)c2cc(Cl)ccc2O)on1 ZINC000185357060 374646198 /nfs/dbraw/zinc/64/61/98/374646198.db2.gz NLDCTERQNZWJCS-VIFPVBQESA-N 0 1 266.728 3.193 20 10 CGCDMN Cc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])on1 ZINC000185357060 374646209 /nfs/dbraw/zinc/64/62/09/374646209.db2.gz NLDCTERQNZWJCS-VIFPVBQESA-N 0 1 266.728 3.193 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000271727466 378503356 /nfs/dbraw/zinc/50/33/56/378503356.db2.gz LZXWNKNWHNSYQR-LBPRGKRZSA-N 0 1 291.782 3.148 20 10 CGCDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@@H](CCO)c1ccccc1 ZINC000272260733 378598673 /nfs/dbraw/zinc/59/86/73/378598673.db2.gz JXPOQPXGUHTSMR-INIZCTEOSA-N 0 1 289.350 3.087 20 10 CGCDMN C[C@H](CO)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273485475 378750748 /nfs/dbraw/zinc/75/07/48/378750748.db2.gz NCGHPINSOASKLD-QWRGUYRKSA-N 0 1 271.788 3.105 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000375215527 379488009 /nfs/dbraw/zinc/48/80/09/379488009.db2.gz XVAVVRBOUYWFFW-GOSISDBHSA-N 0 1 299.345 3.163 20 10 CGCDMN Oc1c(Cl)cccc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000375352770 379492999 /nfs/dbraw/zinc/49/29/99/379492999.db2.gz LYMNESUTQRDUMP-LBPRGKRZSA-N 0 1 277.755 3.106 20 10 CGCDMN CN(Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1O ZINC000284321176 380138868 /nfs/dbraw/zinc/13/88/68/380138868.db2.gz KBVFXOHHCWRQAI-UHFFFAOYSA-N 0 1 285.391 3.112 20 10 CGCDMN Cc1ccnc([C@H](C)NCc2ccc(N(C)C)cc2)c1 ZINC000285625703 380151129 /nfs/dbraw/zinc/15/11/29/380151129.db2.gz KZZXWNZITDCMPJ-AWEZNQCLSA-N 0 1 269.392 3.307 20 10 CGCDMN C[C@H]1CCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144299118 804970565 /nfs/dbraw/zinc/97/05/65/804970565.db2.gz PPGWPFHOVKQLAK-QMMMGPOBSA-N 0 1 288.160 3.278 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000365257031 382283483 /nfs/dbraw/zinc/28/34/83/382283483.db2.gz QASJFXAWMBZJIH-LLVKDONJSA-N 0 1 295.745 3.245 20 10 CGCDMN CCOc1cccc(CN2Cc3ccccc3C2)c1O ZINC000133785755 392465346 /nfs/dbraw/zinc/46/53/46/392465346.db2.gz MUAMABRJPLFYJQ-UHFFFAOYSA-N 0 1 269.344 3.307 20 10 CGCDMN CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(O)ccc3ccccc32)C1 ZINC000173489674 392626894 /nfs/dbraw/zinc/62/68/94/392626894.db2.gz NJWZHXQYVCNDSQ-OAHLLOKOSA-N 0 1 298.430 3.319 20 10 CGCDMN CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000173489674 392626901 /nfs/dbraw/zinc/62/69/01/392626901.db2.gz NJWZHXQYVCNDSQ-OAHLLOKOSA-N 0 1 298.430 3.319 20 10 CGCDMN Cc1nccnc1[C@H](C)NCc1ccc2c(c1)CCCN2C ZINC000187897917 397662721 /nfs/dbraw/zinc/66/27/21/397662721.db2.gz JGNDLYRRYKVMMK-AWEZNQCLSA-N 0 1 296.418 3.018 20 10 CGCDMN Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cnn1C ZINC000185001743 262036906 /nfs/dbraw/zinc/03/69/06/262036906.db2.gz CWOJLBSJIFATIF-VHSXEESVSA-N 0 1 293.798 3.499 20 10 CGCDMN C[C@H](N[C@@H]1COc2cc(F)cc(F)c21)c1ccccc1O ZINC000368212320 267152886 /nfs/dbraw/zinc/15/28/86/267152886.db2.gz MPNXHFGSNOEYDK-TVQRCGJNSA-N 0 1 291.297 3.455 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cc(Cl)ccc1[O-] ZINC000273394038 290018731 /nfs/dbraw/zinc/01/87/31/290018731.db2.gz LOBQPZHYMOICDF-GLQYFDAESA-N 0 1 294.826 3.323 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H](C2CC2)O1 ZINC000280472198 300270818 /nfs/dbraw/zinc/27/08/18/300270818.db2.gz CSZNIAHLOVGQJQ-HZMBPMFUSA-N 0 1 281.783 3.045 20 10 CGCDMN CCc1nnc(CN[C@@H](CC)c2ccccc2O)s1 ZINC000273116852 327852604 /nfs/dbraw/zinc/85/26/04/327852604.db2.gz HAGIGGOZTGYADO-NSHDSACASA-N 0 1 277.393 3.047 20 10 CGCDMN CCn1nncc1C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000527921137 330295761 /nfs/dbraw/zinc/29/57/61/330295761.db2.gz VFZYBYGODLLMQS-GFCCVEGCSA-N 0 1 296.374 3.008 20 10 CGCDMN COc1ccc(O)c(CN[C@H](C)c2ncc(C)s2)c1 ZINC000135782979 334138838 /nfs/dbraw/zinc/13/88/38/334138838.db2.gz VWVIKHQEKXMQSJ-SNVBAGLBSA-N 0 1 278.377 3.017 20 10 CGCDMN CCOCCC1(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000126564972 521691043 /nfs/dbraw/zinc/69/10/43/521691043.db2.gz UDOHUQFAXWJUAE-UHFFFAOYSA-N 0 1 283.799 3.342 20 10 CGCDMN COCc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000083551933 523052445 /nfs/dbraw/zinc/05/24/45/523052445.db2.gz XSZOOOCONWDNOR-UHFFFAOYSA-N 0 1 291.778 3.482 20 10 CGCDMN C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000228030978 525758997 /nfs/dbraw/zinc/75/89/97/525758997.db2.gz FLPBVPAYIUXGAI-OLZOCXBDSA-N 0 1 273.376 3.357 20 10 CGCDMN CC[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000727824426 571771727 /nfs/dbraw/zinc/77/17/27/571771727.db2.gz PFCBZRNTHKCSKQ-CYBMUJFWSA-N 0 1 256.349 3.315 20 10 CGCDMN CC[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000727824426 571771728 /nfs/dbraw/zinc/77/17/28/571771728.db2.gz PFCBZRNTHKCSKQ-CYBMUJFWSA-N 0 1 256.349 3.315 20 10 CGCDMN C[Si](C)(C)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000731845333 572429389 /nfs/dbraw/zinc/42/93/89/572429389.db2.gz XPKRGFFNHHJBEN-HNNXBMFYSA-N 0 1 293.483 3.251 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000725852958 572445315 /nfs/dbraw/zinc/44/53/15/572445315.db2.gz LYSSQDITJPQLCT-UHFFFAOYSA-N 0 1 289.762 3.270 20 10 CGCDMN CC1(C)[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccncc43)C[C@@H]21 ZINC000742167211 572556679 /nfs/dbraw/zinc/55/66/79/572556679.db2.gz VVRZJMTZUIOPRO-GASCZTMLSA-N 0 1 268.360 3.028 20 10 CGCDMN CC1(C)[C@@H]2C[N@H+](Cc3c([O-])ccc4ccncc43)C[C@@H]21 ZINC000742167211 572556681 /nfs/dbraw/zinc/55/66/81/572556681.db2.gz VVRZJMTZUIOPRO-GASCZTMLSA-N 0 1 268.360 3.028 20 10 CGCDMN Cc1cnc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000750282912 573107604 /nfs/dbraw/zinc/10/76/04/573107604.db2.gz APCXIEPQBZTNJE-UHFFFAOYSA-N 0 1 296.418 3.016 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000091929872 618369036 /nfs/dbraw/zinc/36/90/36/618369036.db2.gz SQYKBBIKXFCRLH-SNVBAGLBSA-N 0 1 284.197 3.387 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCc1nccs1 ZINC000076892939 618130210 /nfs/dbraw/zinc/13/02/10/618130210.db2.gz JHBSKPHMSOWUIK-UHFFFAOYSA-N 0 1 282.796 3.225 20 10 CGCDMN Cc1cc(Cl)cc(CN2C[C@@H](C)OC(C)(C)C2)c1O ZINC000775663001 619083852 /nfs/dbraw/zinc/08/38/52/619083852.db2.gz YJPOREMLKKWWHP-LLVKDONJSA-N 0 1 283.799 3.353 20 10 CGCDMN Cc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)nc1C ZINC000313969953 619206372 /nfs/dbraw/zinc/20/63/72/619206372.db2.gz TXUDZKQRCLGERP-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN Cc1ccc(CNCc2c(O)cccc2Cl)nc1C ZINC000313969953 619206373 /nfs/dbraw/zinc/20/63/73/619206373.db2.gz TXUDZKQRCLGERP-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Cl)OCC1CC1 ZINC000840960464 619279303 /nfs/dbraw/zinc/27/93/03/619279303.db2.gz NPVQRPURISEVGJ-UHFFFAOYSA-N 0 1 283.799 3.340 20 10 CGCDMN C[N@@H+](Cc1cc(Br)cc(F)c1[O-])C1CCC1 ZINC000894032554 619352816 /nfs/dbraw/zinc/35/28/16/619352816.db2.gz MDYWDQIIOFWCKO-UHFFFAOYSA-N 0 1 288.160 3.278 20 10 CGCDMN C[C@H]([NH2+]CCOCC(F)F)c1ccc2ccccc2c1[O-] ZINC000188768330 619704381 /nfs/dbraw/zinc/70/43/81/619704381.db2.gz AJKNGNUQYLURTB-NSHDSACASA-N 0 1 295.329 3.478 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccns2)cc1Cl ZINC000895529794 619842690 /nfs/dbraw/zinc/84/26/90/619842690.db2.gz VYCOQYIVSHVMNJ-UHFFFAOYSA-N 0 1 282.796 3.143 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](CF)C2)c(Cl)c1 ZINC000895574371 619852147 /nfs/dbraw/zinc/85/21/47/619852147.db2.gz WFWQVDOGIWIKFV-SNVBAGLBSA-N 0 1 257.736 3.145 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](CF)C2)c(Cl)c1 ZINC000895574371 619852148 /nfs/dbraw/zinc/85/21/48/619852148.db2.gz WFWQVDOGIWIKFV-SNVBAGLBSA-N 0 1 257.736 3.145 20 10 CGCDMN [O-]c1ccccc1C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000895718173 619874647 /nfs/dbraw/zinc/87/46/47/619874647.db2.gz VFYCOBRQEIQTBM-MRXNPFEDSA-N 0 1 289.419 3.421 20 10 CGCDMN [O-]c1ccccc1C[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000895718173 619874648 /nfs/dbraw/zinc/87/46/48/619874648.db2.gz VFYCOBRQEIQTBM-MRXNPFEDSA-N 0 1 289.419 3.421 20 10 CGCDMN C[C@@H]1Cc2cc(CN3Cc4cccc(O)c4C3)ccc2O1 ZINC000895784808 619885393 /nfs/dbraw/zinc/88/53/93/619885393.db2.gz MUHOUXJXRGWEET-GFCCVEGCSA-N 0 1 281.355 3.231 20 10 CGCDMN CCCCOC(=O)[C@@H](C)N(CCC)Cc1ccccc1O ZINC000303956517 620196357 /nfs/dbraw/zinc/19/63/57/620196357.db2.gz XOCFQVDPEOFXLP-CQSZACIVSA-N 0 1 293.407 3.336 20 10 CGCDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cc2n(n1)CCC2 ZINC000840724138 620217947 /nfs/dbraw/zinc/21/79/47/620217947.db2.gz UJTTXIUGKJJDNW-AWEZNQCLSA-N 0 1 298.434 3.055 20 10 CGCDMN Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841746192 620352279 /nfs/dbraw/zinc/35/22/79/620352279.db2.gz CXEHJCGYPKGZSG-NXEZZACHSA-N 0 1 293.798 3.499 20 10 CGCDMN C[C@]12CSC[C@H]1C[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC000898422627 620586324 /nfs/dbraw/zinc/58/63/24/620586324.db2.gz LHNKKNYRCIQBSM-YGRLFVJLSA-N 0 1 283.824 3.231 20 10 CGCDMN C[C@]12CSC[C@H]1C[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC000898422627 620586326 /nfs/dbraw/zinc/58/63/26/620586326.db2.gz LHNKKNYRCIQBSM-YGRLFVJLSA-N 0 1 283.824 3.231 20 10 CGCDMN CC[C@H](NCc1csc(N)n1)c1cc(Cl)ccc1O ZINC000902499291 621345935 /nfs/dbraw/zinc/34/59/35/621345935.db2.gz MQSOAFHVHBFXTA-NSHDSACASA-N 0 1 297.811 3.325 20 10 CGCDMN CC[C@H]([NH2+]Cc1csc(N)n1)c1cc(Cl)ccc1[O-] ZINC000902499291 621345941 /nfs/dbraw/zinc/34/59/41/621345941.db2.gz MQSOAFHVHBFXTA-NSHDSACASA-N 0 1 297.811 3.325 20 10 CGCDMN Nc1ccc(NC(=O)c2ccc(CN3CCCCC3)o2)cc1 ZINC000911661243 622541403 /nfs/dbraw/zinc/54/14/03/622541403.db2.gz RRXQJJDOZDGUAZ-UHFFFAOYSA-N 0 1 299.374 3.100 20 10 CGCDMN C[C@@H]([NH2+]CC1(O)CCC1)c1ccc2ccccc2c1[O-] ZINC000168763251 623014414 /nfs/dbraw/zinc/01/44/14/623014414.db2.gz YHCPKEZMOPOOST-GFCCVEGCSA-N 0 1 271.360 3.111 20 10 CGCDMN CC[C@H](CCO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168795132 623015427 /nfs/dbraw/zinc/01/54/27/623015427.db2.gz DZFTWMOQTNULBP-TZMCWYRMSA-N 0 1 273.376 3.357 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCS1 ZINC000087473212 623079541 /nfs/dbraw/zinc/07/95/41/623079541.db2.gz SGPQUQNJVHWZFE-NSHDSACASA-N 0 1 257.786 3.031 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])[C@H](C)N ZINC000817977229 625627648 /nfs/dbraw/zinc/62/76/48/625627648.db2.gz FDEAEZPUFJFNKN-RNJXMRFFSA-N 0 1 277.195 3.085 20 10 CGCDMN CCOC1(C)CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000311826785 623466259 /nfs/dbraw/zinc/46/62/59/623466259.db2.gz OJGQYRBVEMAVOH-UHFFFAOYSA-N 0 1 283.799 3.437 20 10 CGCDMN COCC[N@H+](Cc1c(O)ccc2ccncc21)CC(C)C ZINC000914783817 623860388 /nfs/dbraw/zinc/86/03/88/623860388.db2.gz PWBQXNHSCGDBHU-UHFFFAOYSA-N 0 1 288.391 3.045 20 10 CGCDMN COCC[N@@H+](Cc1c([O-])ccc2ccncc21)CC(C)C ZINC000914783817 623860389 /nfs/dbraw/zinc/86/03/89/623860389.db2.gz PWBQXNHSCGDBHU-UHFFFAOYSA-N 0 1 288.391 3.045 20 10 CGCDMN COCC[N@H+](Cc1c([O-])ccc2ccncc21)CC(C)C ZINC000914783817 623860392 /nfs/dbraw/zinc/86/03/92/623860392.db2.gz PWBQXNHSCGDBHU-UHFFFAOYSA-N 0 1 288.391 3.045 20 10 CGCDMN COc1cc(Cl)cc(C[N@H+](C)C2CCCC2)c1[O-] ZINC000184676075 625262022 /nfs/dbraw/zinc/26/20/22/625262022.db2.gz IRNGIWQLXDVPCZ-UHFFFAOYSA-N 0 1 269.772 3.429 20 10 CGCDMN COc1cc(Cl)cc(C[N@@H+](C)C2CCCC2)c1[O-] ZINC000184676075 625262027 /nfs/dbraw/zinc/26/20/27/625262027.db2.gz IRNGIWQLXDVPCZ-UHFFFAOYSA-N 0 1 269.772 3.429 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922731687 626039992 /nfs/dbraw/zinc/03/99/92/626039992.db2.gz HAIIZDPNHFRGAA-OIBJUYFYSA-N 0 1 279.689 3.334 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)[C@H]1C ZINC000751945173 626412668 /nfs/dbraw/zinc/41/26/68/626412668.db2.gz YHIGYJPDTDKMRN-NEPJUHHUSA-N 0 1 256.349 3.171 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H]1C ZINC000751945173 626412669 /nfs/dbraw/zinc/41/26/69/626412669.db2.gz YHIGYJPDTDKMRN-NEPJUHHUSA-N 0 1 256.349 3.171 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000756554028 626714596 /nfs/dbraw/zinc/71/45/96/626714596.db2.gz NQDAXOFIEFSDBD-SMDDNHRTSA-N 0 1 294.826 3.181 20 10 CGCDMN Cc1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])[nH]n1 ZINC000756586672 626718480 /nfs/dbraw/zinc/71/84/80/626718480.db2.gz VGHYRCCIJCNRGN-GFCCVEGCSA-N 0 1 281.359 3.428 20 10 CGCDMN CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C1CCOCC1 ZINC000756627365 626721294 /nfs/dbraw/zinc/72/12/94/626721294.db2.gz HPMPOTCCWQZOET-IAQYHMDHSA-N 0 1 281.371 3.387 20 10 CGCDMN C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000756628377 626722249 /nfs/dbraw/zinc/72/22/49/626722249.db2.gz LUQZOAVVWDNJAF-VXGBXAGGSA-N 0 1 282.815 3.038 20 10 CGCDMN CC[C@H](CCO)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756646381 626724207 /nfs/dbraw/zinc/72/42/07/626724207.db2.gz MSHVZUFPITZICH-LOWVWBTDSA-N 0 1 281.371 3.078 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCCO)c2c1c(F)ccc2[O-] ZINC000756665430 626725966 /nfs/dbraw/zinc/72/59/66/626725966.db2.gz WKBFIPDTVIGQCA-WCQYABFASA-N 0 1 295.398 3.468 20 10 CGCDMN C[C@H]([NH2+]Cc1cccc(F)n1)c1cc(Cl)ccc1[O-] ZINC000756768246 626730600 /nfs/dbraw/zinc/73/06/00/626730600.db2.gz KYSDQYJVNVKSSG-VIFPVBQESA-N 0 1 280.730 3.431 20 10 CGCDMN CC1(C)CCCN(CC[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000767736453 627433514 /nfs/dbraw/zinc/43/35/14/627433514.db2.gz GDRNVMZASTYMQJ-UHFFFAOYSA-N 0 1 296.842 3.257 20 10 CGCDMN CCCC[NH+](CCCC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768438555 627479744 /nfs/dbraw/zinc/47/97/44/627479744.db2.gz BQHPNWWTBOAJDJ-MRXNPFEDSA-N 0 1 293.407 3.220 20 10 CGCDMN COc1ccc2c(c1)CN(Cc1ccc(N(C)C)cc1)CC2 ZINC000769119556 627524125 /nfs/dbraw/zinc/52/41/25/627524125.db2.gz CFENIYPEVOERNM-UHFFFAOYSA-N 0 1 296.414 3.320 20 10 CGCDMN CCOc1ccc(C[NH+](CC2CC2)CC2CC2)c([O-])c1 ZINC000769450459 627554477 /nfs/dbraw/zinc/55/44/77/627554477.db2.gz DDSCHGHVSMLMBD-UHFFFAOYSA-N 0 1 275.392 3.413 20 10 CGCDMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769470021 627557128 /nfs/dbraw/zinc/55/71/28/627557128.db2.gz JEESKHLFGZHVEB-RKDXNWHRSA-N 0 1 284.743 3.184 20 10 CGCDMN CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1ccccc1O ZINC000770505351 627623217 /nfs/dbraw/zinc/62/32/17/627623217.db2.gz QTZSTSHYFGQHHR-HZPDHXFCSA-N 0 1 277.408 3.418 20 10 CGCDMN CCN(C)c1ccc([C@H](C)NCc2cc(C)ncn2)cc1 ZINC000773105477 627857214 /nfs/dbraw/zinc/85/72/14/627857214.db2.gz HIVDKRAVNYXOSP-AWEZNQCLSA-N 0 1 284.407 3.092 20 10 CGCDMN CCN(C)c1ccc(CN2CCO[C@](C)(CC)C2)cc1 ZINC000773887801 627925160 /nfs/dbraw/zinc/92/51/60/627925160.db2.gz HOTXECMYNDJGRG-QGZVFWFLSA-N 0 1 276.424 3.144 20 10 CGCDMN CC[C@@H]([NH2+][C@H](CO)CC(C)C)c1cc(Cl)ccc1[O-] ZINC000775492211 628100450 /nfs/dbraw/zinc/10/04/50/628100450.db2.gz NLVSDYVQBZJPIK-GXTWGEPZSA-N 0 1 285.815 3.493 20 10 CGCDMN CCN1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000775715546 628128699 /nfs/dbraw/zinc/12/86/99/628128699.db2.gz GPKOUOJLSQHUGI-OCCSQVGLSA-N 0 1 296.842 3.350 20 10 CGCDMN CCN1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000775715546 628128705 /nfs/dbraw/zinc/12/87/05/628128705.db2.gz GPKOUOJLSQHUGI-OCCSQVGLSA-N 0 1 296.842 3.350 20 10 CGCDMN CC[C@@H]([NH2+]CC1(CCO)CC1)c1cc(Cl)ccc1[O-] ZINC000779086344 628387644 /nfs/dbraw/zinc/38/76/44/628387644.db2.gz VSEFRNXJNHEEGJ-CYBMUJFWSA-N 0 1 283.799 3.249 20 10 CGCDMN CC[C@H](NCc1cccc(Cl)c1O)C(F)(F)F ZINC000787439028 629012064 /nfs/dbraw/zinc/01/20/64/629012064.db2.gz GVOPYMRATOGXPO-VIFPVBQESA-N 0 1 267.678 3.476 20 10 CGCDMN CO[C@H]1CCCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862314941 629343059 /nfs/dbraw/zinc/34/30/59/629343059.db2.gz MZNVEVVKBJFMSL-ZDUSSCGKSA-N 0 1 298.377 3.032 20 10 CGCDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792171095 629343715 /nfs/dbraw/zinc/34/37/15/629343715.db2.gz YCYTUOKUXQFPCZ-DTWKUNHWSA-N 0 1 257.736 3.415 20 10 CGCDMN Cc1cc(O)c(CNc2ccnc(C)c2Cl)cc1C ZINC000792690693 629375240 /nfs/dbraw/zinc/37/52/40/629375240.db2.gz JXMAZXLBJRMQGD-UHFFFAOYSA-N 0 1 276.767 3.400 20 10 CGCDMN CO[C@@]1(C)CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000793216860 629429655 /nfs/dbraw/zinc/42/96/55/629429655.db2.gz JSNZXVGSOWMTTI-AWEZNQCLSA-N 0 1 287.762 3.186 20 10 CGCDMN CCOc1ccc(C[N@H+](CC)CC2CCC2)c([O-])c1 ZINC000793352309 629446613 /nfs/dbraw/zinc/44/66/13/629446613.db2.gz KXPCRHBNEIPEQF-UHFFFAOYSA-N 0 1 263.381 3.413 20 10 CGCDMN CCOc1ccc(C[N@@H+](CC)CC2CCC2)c([O-])c1 ZINC000793352309 629446615 /nfs/dbraw/zinc/44/66/15/629446615.db2.gz KXPCRHBNEIPEQF-UHFFFAOYSA-N 0 1 263.381 3.413 20 10 CGCDMN C[C@H]([NH2+]Cc1cccnc1F)c1cc(Cl)ccc1[O-] ZINC000794835267 629585166 /nfs/dbraw/zinc/58/51/66/629585166.db2.gz KXNIYIKJTVXFLI-VIFPVBQESA-N 0 1 280.730 3.431 20 10 CGCDMN CC[C@@H](N[C@@H]1CC[NH2+][C@H]1CC)c1cccc(Cl)c1[O-] ZINC000863543641 629603548 /nfs/dbraw/zinc/60/35/48/629603548.db2.gz UFSCHUGMPDRFAX-HZSPNIEDSA-N 0 1 282.815 3.227 20 10 CGCDMN Cc1cc(C)c(O)c(CN2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000795665612 629707103 /nfs/dbraw/zinc/70/71/03/629707103.db2.gz GCDDNCBZEPIWEY-MRXNPFEDSA-N 0 1 285.391 3.459 20 10 CGCDMN Cn1cnc2cc(NCc3ccc(F)c(F)c3O)ccc21 ZINC000864030149 629731082 /nfs/dbraw/zinc/73/10/82/629731082.db2.gz XNUJFYFJFHNVDJ-UHFFFAOYSA-N 0 1 289.285 3.169 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC[C@@H]2C)c2c1c(F)ccc2[O-] ZINC000797077080 629881756 /nfs/dbraw/zinc/88/17/56/629881756.db2.gz CDTPTRBFBGTIHD-CZXHOFHRSA-N 0 1 293.382 3.342 20 10 CGCDMN CCC(CC)(CCO)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000802656143 630403248 /nfs/dbraw/zinc/40/32/48/630403248.db2.gz KYTAEADXUJWJPT-UHFFFAOYSA-N 0 1 285.815 3.385 20 10 CGCDMN Cc1c[nH]cc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838604 630600227 /nfs/dbraw/zinc/60/02/27/630600227.db2.gz YZTAKANBOIDTLA-UHFFFAOYSA-N 0 1 299.157 3.266 20 10 CGCDMN CC(C)[C@H](F)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838241 630600495 /nfs/dbraw/zinc/60/04/95/630600495.db2.gz NKGZOKDGADPSAC-JTQLQIEISA-N 0 1 294.153 3.309 20 10 CGCDMN Cc1cncc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000808087528 630621554 /nfs/dbraw/zinc/62/15/54/630621554.db2.gz YKNHFBFRPIYJOZ-UHFFFAOYSA-N 0 1 284.146 3.410 20 10 CGCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cncc(OC)c1 ZINC000808709270 630667917 /nfs/dbraw/zinc/66/79/17/630667917.db2.gz WNDWJCVNJWENKV-UHFFFAOYSA-N 0 1 299.418 3.178 20 10 CGCDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000809692940 630784580 /nfs/dbraw/zinc/78/45/80/630784580.db2.gz KFVGWQFDQKOWEC-PHIMTYICSA-N 0 1 290.190 3.308 20 10 CGCDMN CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000810244203 630857547 /nfs/dbraw/zinc/85/75/47/630857547.db2.gz AZXFUFFQUGYMGE-NWDGAFQWSA-N 0 1 284.831 3.425 20 10 CGCDMN CCN(Cc1n[nH]c(C(C)(C)C)n1)c1ccc(OC)cc1 ZINC000814626654 631613502 /nfs/dbraw/zinc/61/35/02/631613502.db2.gz WOZLCHCXKPXOJB-UHFFFAOYSA-N 0 1 288.395 3.137 20 10 CGCDMN Cc1nocc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000816484534 631989811 /nfs/dbraw/zinc/98/98/11/631989811.db2.gz GJNWYPOBNHUXMM-UHFFFAOYSA-N 0 1 285.391 3.214 20 10 CGCDMN C[C@](O)(C[NH2+]Cc1ccc2ccccc2c1[O-])c1ccco1 ZINC000816555198 632011481 /nfs/dbraw/zinc/01/14/81/632011481.db2.gz XAYZOKBRXOTPFN-SFHVURJKSA-N 0 1 297.354 3.136 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H]2CCC[C@@H]2CCO)ccc2ccccc21 ZINC000816575709 632016310 /nfs/dbraw/zinc/01/63/10/632016310.db2.gz WLPSXUMTYZUQCB-RHSMWYFYSA-N 0 1 285.387 3.186 20 10 CGCDMN CC1(C)C[N@H+](Cc2ccc3ccccc3c2[O-])CC[C@@H]1O ZINC000816586295 632017507 /nfs/dbraw/zinc/01/75/07/632017507.db2.gz FCAFMGDVTIWPSX-INIZCTEOSA-N 0 1 285.387 3.138 20 10 CGCDMN CC1(C)C[N@@H+](Cc2ccc3ccccc3c2[O-])CC[C@@H]1O ZINC000816586295 632017513 /nfs/dbraw/zinc/01/75/13/632017513.db2.gz FCAFMGDVTIWPSX-INIZCTEOSA-N 0 1 285.387 3.138 20 10 CGCDMN CCOC1CC([N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816612386 632022513 /nfs/dbraw/zinc/02/25/13/632022513.db2.gz NLYMDESAOLRTRA-UHFFFAOYSA-N 0 1 287.762 3.184 20 10 CGCDMN CC[C@H]([NH2+]C1CCN(OC)CC1)c1cc(Cl)ccc1[O-] ZINC000817589490 632192814 /nfs/dbraw/zinc/19/28/14/632192814.db2.gz YFLFHLDQKXCGJQ-AWEZNQCLSA-N 0 1 298.814 3.112 20 10 CGCDMN C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817942154 632240899 /nfs/dbraw/zinc/24/08/99/632240899.db2.gz XMEFISKATSTVIL-DTWKUNHWSA-N 0 1 289.206 3.102 20 10 CGCDMN N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000818431069 632318191 /nfs/dbraw/zinc/31/81/91/632318191.db2.gz FCEZSIVBSUKYHZ-VXGBXAGGSA-N 0 1 289.206 3.059 20 10 CGCDMN C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000866446700 633137263 /nfs/dbraw/zinc/13/72/63/633137263.db2.gz GSLHQMVYGYDHOC-DNJQJEMRSA-N 0 1 269.772 3.262 20 10 CGCDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc2ccccc2c1O ZINC000824636970 633266554 /nfs/dbraw/zinc/26/65/54/633266554.db2.gz VUTIRVJUMARUGD-NVXWUHKLSA-N 0 1 285.387 3.138 20 10 CGCDMN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000824636970 633266556 /nfs/dbraw/zinc/26/65/56/633266556.db2.gz VUTIRVJUMARUGD-NVXWUHKLSA-N 0 1 285.387 3.138 20 10 CGCDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000824636970 633266557 /nfs/dbraw/zinc/26/65/57/633266557.db2.gz VUTIRVJUMARUGD-NVXWUHKLSA-N 0 1 285.387 3.138 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000824914641 633305334 /nfs/dbraw/zinc/30/53/34/633305334.db2.gz WOYMZXJLMHNQER-ZDUSSCGKSA-N 0 1 283.824 3.373 20 10 CGCDMN C[C@@H]1C[C@H](NCc2cc(Cl)ccc2O)c2nccn21 ZINC000825017517 633318464 /nfs/dbraw/zinc/31/84/64/633318464.db2.gz TVSJNYXYHGXITN-SKDRFNHKSA-N 0 1 277.755 3.038 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCCn2ccnc2)cc1Cl ZINC000825131992 633331354 /nfs/dbraw/zinc/33/13/54/633331354.db2.gz VRMRKBCCKPIHOD-UHFFFAOYSA-N 0 1 293.798 3.121 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825134070 633331743 /nfs/dbraw/zinc/33/17/43/633331743.db2.gz ULJQRQYMEWSZSU-OAHLLOKOSA-N 0 1 299.773 3.187 20 10 CGCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Cl)C1(O)CCCC1 ZINC000825232083 633338154 /nfs/dbraw/zinc/33/81/54/633338154.db2.gz OMZFFWLVFGTQFH-UHFFFAOYSA-N 0 1 297.826 3.467 20 10 CGCDMN Cc1ncc(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])s1 ZINC000825247499 633339187 /nfs/dbraw/zinc/33/91/87/633339187.db2.gz SPBZHOCEPTWPLD-UHFFFAOYSA-N 0 1 282.796 3.409 20 10 CGCDMN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825267443 633340607 /nfs/dbraw/zinc/34/06/07/633340607.db2.gz STICWFVMOHMSIC-NHYWBVRUSA-N 0 1 285.815 3.241 20 10 CGCDMN CCOc1cccc(C[N@H+]2CCC[C@H](COC)CC2)c1O ZINC000825321596 633344413 /nfs/dbraw/zinc/34/44/13/633344413.db2.gz IHPWXZLOPFNMEM-AWEZNQCLSA-N 0 1 293.407 3.039 20 10 CGCDMN CCC[C@H](CCO)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825315809 633344988 /nfs/dbraw/zinc/34/49/88/633344988.db2.gz MXADOOAXJNTJCE-GFCCVEGCSA-N 0 1 285.815 3.242 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1Cl ZINC000825354744 633348449 /nfs/dbraw/zinc/34/84/49/633348449.db2.gz YUTUYHJIHCMULX-DGCLKSJQSA-N 0 1 294.826 3.069 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)CC(C)(C)C)cc1Cl ZINC000825376373 633349832 /nfs/dbraw/zinc/34/98/32/633349832.db2.gz YQVAXRRMMXRION-LBPRGKRZSA-N 0 1 285.815 3.241 20 10 CGCDMN Cc1c(CN(C)Cc2cc(Cl)c(C)cc2O)cnn1C ZINC000825731411 633378651 /nfs/dbraw/zinc/37/86/51/633378651.db2.gz HDILEEDZMXVALJ-UHFFFAOYSA-N 0 1 293.798 3.028 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CCC3(CCO3)CC2)cc1Cl ZINC000825779430 633381328 /nfs/dbraw/zinc/38/13/28/633381328.db2.gz LKDSAOQRMUZFPI-UHFFFAOYSA-N 0 1 281.783 3.109 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1Cl ZINC000826089699 633404410 /nfs/dbraw/zinc/40/44/10/633404410.db2.gz NSEPUEPJNFOJBH-ZDUSSCGKSA-N 0 1 297.826 3.337 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)CC(C)(C)C2)cc1Cl ZINC000826089699 633404412 /nfs/dbraw/zinc/40/44/12/633404412.db2.gz NSEPUEPJNFOJBH-ZDUSSCGKSA-N 0 1 297.826 3.337 20 10 CGCDMN CCOc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC000826539654 633412195 /nfs/dbraw/zinc/41/21/95/633412195.db2.gz XOWWUQUMJNIUKY-WFASDCNBSA-N 0 1 261.365 3.165 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2COC3(CCC3)C2)cc1Cl ZINC000827125049 633461833 /nfs/dbraw/zinc/46/18/33/633461833.db2.gz HAKDNTOIWAFWTG-GFCCVEGCSA-N 0 1 281.783 3.155 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccoc2)cc1Cl ZINC000827230639 633473583 /nfs/dbraw/zinc/47/35/83/633473583.db2.gz VJMPWLWOHHBKRG-UHFFFAOYSA-N 0 1 265.740 3.279 20 10 CGCDMN CCc1cccc(CN2C[C@H](C)O[C@@](C)(C(F)F)C2)c1O ZINC000827958152 633540617 /nfs/dbraw/zinc/54/06/17/633540617.db2.gz YYWWKRXFPICEEW-MEDUHNTESA-N 0 1 299.361 3.199 20 10 CGCDMN CC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000872799959 634211163 /nfs/dbraw/zinc/21/11/63/634211163.db2.gz IPTRCZJRVZPCPK-OAHLLOKOSA-N 0 1 283.371 3.346 20 10 CGCDMN CC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000872799959 634211164 /nfs/dbraw/zinc/21/11/64/634211164.db2.gz IPTRCZJRVZPCPK-OAHLLOKOSA-N 0 1 283.371 3.346 20 10 CGCDMN CCCOc1ccc(CNCc2cc(C)ncn2)cc1C ZINC000873098443 634245961 /nfs/dbraw/zinc/24/59/61/634245961.db2.gz QFUBJMRLIWTNJM-UHFFFAOYSA-N 0 1 285.391 3.172 20 10 CGCDMN C[C@@H]1C[C@@H](N[C@H]2CCn3ccnc32)c2c1c(F)ccc2O ZINC000834832873 634251674 /nfs/dbraw/zinc/25/16/74/634251674.db2.gz SIUXNGUGIYKSBU-ADEWGFFLSA-N 0 1 287.338 3.011 20 10 CGCDMN COC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000019904581 634368012 /nfs/dbraw/zinc/36/80/12/634368012.db2.gz SSHREZKKSXEWIS-RYUDHWBXSA-N 0 1 259.349 3.231 20 10 CGCDMN COC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000019904583 634368175 /nfs/dbraw/zinc/36/81/75/634368175.db2.gz SSHREZKKSXEWIS-VXGBXAGGSA-N 0 1 259.349 3.231 20 10 CGCDMN Cc1ccc(CN2CCO[C@@H](c3cccs3)C2)c(O)c1 ZINC000876645010 634874540 /nfs/dbraw/zinc/87/45/40/634874540.db2.gz HIGJHHYDMJPQQD-OAHLLOKOSA-N 0 1 289.400 3.336 20 10 CGCDMN CSCC[C@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876755607 634892693 /nfs/dbraw/zinc/89/26/93/634892693.db2.gz VLPAZQOUCFSHLD-VIFPVBQESA-N 0 1 275.364 3.244 20 10 CGCDMN C[C@@H](N[C@@H](C)c1cc(Cl)ccc1O)c1ccn(C)n1 ZINC000840818206 635058576 /nfs/dbraw/zinc/05/85/76/635058576.db2.gz XQMSUASRGUIBOE-VHSXEESVSA-N 0 1 279.771 3.191 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@H]2c2ccncc2)ccc(F)c1F ZINC000877524396 635071812 /nfs/dbraw/zinc/07/18/12/635071812.db2.gz WTNLSXKKZUQAOR-AWEZNQCLSA-N 0 1 290.313 3.403 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccc(O)cc2)c(Cl)c1 ZINC000840886115 635074202 /nfs/dbraw/zinc/07/42/02/635074202.db2.gz OIVWOIAYZBXJTL-UHFFFAOYSA-N 0 1 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3.201 20 10 CGCDMN CC[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCCO1 ZINC000124567534 370926200 /nfs/dbraw/zinc/92/62/00/370926200.db2.gz VSCYVLZCYKKXDL-LBPRGKRZSA-N 0 1 269.772 3.047 20 10 CGCDMN CSC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000134922532 371375754 /nfs/dbraw/zinc/37/57/54/371375754.db2.gz FBUMNEKWCVHSNW-BDAKNGLRSA-N 0 1 259.802 3.448 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000287375497 371646052 /nfs/dbraw/zinc/64/60/52/371646052.db2.gz HYJILWPJUVSDDS-WOPDTQHZSA-N 0 1 283.799 3.369 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000293662379 372442454 /nfs/dbraw/zinc/44/24/54/372442454.db2.gz PPZLPWJALKIICM-LBPRGKRZSA-N 0 1 295.745 3.075 20 10 CGCDMN CC[C@@H](O)CC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168826801 372621543 /nfs/dbraw/zinc/62/15/43/372621543.db2.gz MIIRPHZCBCKTAU-TZMCWYRMSA-N 0 1 273.376 3.357 20 10 CGCDMN CC[C@H](O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168826521 372621861 /nfs/dbraw/zinc/62/18/61/372621861.db2.gz MIIRPHZCBCKTAU-JSGCOSHPSA-N 0 1 273.376 3.357 20 10 CGCDMN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(C)(C)O ZINC000294929067 372680130 /nfs/dbraw/zinc/68/01/30/372680130.db2.gz HHZXSBLQHZNNHI-ZANVPECISA-N 0 1 271.788 3.246 20 10 CGCDMN CCOc1cccc(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)c1O ZINC000295116445 372694186 /nfs/dbraw/zinc/69/41/86/372694186.db2.gz WUERQNMGNBESEF-OAHLLOKOSA-N 0 1 293.407 3.038 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)CCCCO)c1cc(Cl)ccc1[O-] ZINC000296579490 373184598 /nfs/dbraw/zinc/18/45/98/373184598.db2.gz UFNMZMPMPQWABI-WDEREUQCSA-N 0 1 271.788 3.247 20 10 CGCDMN COc1cc(O)c(C[N@@H+](CC(C)C)C(C)C)cc1OC ZINC000179755243 373911839 /nfs/dbraw/zinc/91/18/39/373911839.db2.gz HEKFSRDOENGKBY-UHFFFAOYSA-N 0 1 281.396 3.276 20 10 CGCDMN Cc1cccc(CN2CCO[C@H](c3ccccc3)C2)c1O ZINC000271802218 378504554 /nfs/dbraw/zinc/50/45/54/378504554.db2.gz LNYNIPSAHWNGHT-KRWDZBQOSA-N 0 1 283.371 3.274 20 10 CGCDMN C[C@@H]([NH2+][C@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000273345799 378742325 /nfs/dbraw/zinc/74/23/25/378742325.db2.gz ARFDYDFSSPSHFM-SCZZXKLOSA-N 0 1 257.786 3.202 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H]1CCOC1 ZINC000273622757 378758020 /nfs/dbraw/zinc/75/80/20/378758020.db2.gz ZOHQEGAJNRFTMR-VWYCJHECSA-N 0 1 269.772 3.121 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000273575771 378754907 /nfs/dbraw/zinc/75/49/07/378754907.db2.gz LVQODASZQQKXHF-ZIBATOQPSA-N 0 1 294.826 3.179 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCC[C@H]1CCCCO1 ZINC000273831449 378760096 /nfs/dbraw/zinc/76/00/96/378760096.db2.gz PUYIMDBRZPBXDW-GFCCVEGCSA-N 0 1 283.799 3.485 20 10 CGCDMN Cn1cc([C@H](NCc2ccccc2O)c2ccccc2)cn1 ZINC000374644335 379473506 /nfs/dbraw/zinc/47/35/06/379473506.db2.gz HIGYDKKOLLNLKE-GOSISDBHSA-N 0 1 293.370 3.005 20 10 CGCDMN CC[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CCCO1 ZINC000281111651 379817729 /nfs/dbraw/zinc/81/77/29/379817729.db2.gz BHTWSSDKEXZSRU-NSHDSACASA-N 0 1 269.772 3.047 20 10 CGCDMN CC[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CCCO1 ZINC000281111651 379817731 /nfs/dbraw/zinc/81/77/31/379817731.db2.gz BHTWSSDKEXZSRU-NSHDSACASA-N 0 1 269.772 3.047 20 10 CGCDMN CCCC[N@@H+](CCC1OCCCO1)Cc1ccccc1O ZINC000282544266 379942194 /nfs/dbraw/zinc/94/21/94/379942194.db2.gz WLANNWPMJAGEMM-UHFFFAOYSA-N 0 1 293.407 3.147 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000285302109 380145016 /nfs/dbraw/zinc/14/50/16/380145016.db2.gz VYZHVDDAMHCHFE-UONOGXRCSA-N 0 1 281.783 3.189 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(CCOCC2)CC1 ZINC000285117764 380145934 /nfs/dbraw/zinc/14/59/34/380145934.db2.gz NQAWHMQHAPARTP-UHFFFAOYSA-N 0 1 295.810 3.438 20 10 CGCDMN CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000124512346 287256640 /nfs/dbraw/zinc/25/66/40/287256640.db2.gz AVMDMTQNDRZNBI-ZYHUDNBSSA-N 0 1 269.772 3.045 20 10 CGCDMN CC[C@@H](C)[N@@H+](CC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037323241 173123550 /nfs/dbraw/zinc/12/35/50/173123550.db2.gz MSLLEPFGTAIJMS-SNVBAGLBSA-N 0 1 267.344 3.354 20 10 CGCDMN Cc1csc(CN[C@H](C)c2cc(C)ccc2O)n1 ZINC000038090952 174104597 /nfs/dbraw/zinc/10/45/97/174104597.db2.gz GFGBZRGYSQGSRK-LLVKDONJSA-N 0 1 262.378 3.316 20 10 CGCDMN CCN(Cc1cncs1)Cc1ccc(N(C)C)cc1 ZINC000156837800 261133837 /nfs/dbraw/zinc/13/38/37/261133837.db2.gz ZYAQVMBFWWMBHY-UHFFFAOYSA-N 0 1 275.421 3.231 20 10 CGCDMN CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185154826 262043972 /nfs/dbraw/zinc/04/39/72/262043972.db2.gz YXSHQQKGQKCVLF-WDEREUQCSA-N 0 1 298.814 3.001 20 10 CGCDMN COCC[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185290331 262049138 /nfs/dbraw/zinc/04/91/38/262049138.db2.gz SJTYNCHNNDGDMT-VHSXEESVSA-N 0 1 257.761 3.121 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CCCOCC1)c1cc(Cl)ccc1[O-] ZINC000186234041 262085581 /nfs/dbraw/zinc/08/55/81/262085581.db2.gz SKQWSTGLEDYTKL-CMPLNLGQSA-N 0 1 269.772 3.265 20 10 CGCDMN CS[C@H]1CCCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272440193 263004419 /nfs/dbraw/zinc/00/44/19/263004419.db2.gz OMOCKWZSOBZPGU-LBPRGKRZSA-N 0 1 269.385 3.249 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCOCC3(CCC3)C2)cc1C ZINC000368280754 267159210 /nfs/dbraw/zinc/15/92/10/267159210.db2.gz DLQRACCYFYNKID-UHFFFAOYSA-N 0 1 275.392 3.012 20 10 CGCDMN CCC[C@]1(CO)CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000377840218 329031392 /nfs/dbraw/zinc/03/13/92/329031392.db2.gz QCWJEOOYQFOAAO-HNNXBMFYSA-N 0 1 283.799 3.030 20 10 CGCDMN CCC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000377840218 329031394 /nfs/dbraw/zinc/03/13/94/329031394.db2.gz QCWJEOOYQFOAAO-HNNXBMFYSA-N 0 1 283.799 3.030 20 10 CGCDMN CCn1ccnc1NCc1c(C)c2ccccc2n1C ZINC000414294621 328154096 /nfs/dbraw/zinc/15/40/96/328154096.db2.gz DNLNLFHKYKNZDK-UHFFFAOYSA-N 0 1 268.364 3.315 20 10 CGCDMN COc1c([O-])c(C[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000278168529 521866289 /nfs/dbraw/zinc/86/62/89/521866289.db2.gz FNIGKKKWGCHLGJ-UHFFFAOYSA-N 0 1 294.351 3.074 20 10 CGCDMN C[C@H]([NH2+]CC1(C)COC1)c1ccc2ccccc2c1[O-] ZINC000094721581 525316807 /nfs/dbraw/zinc/31/68/07/525316807.db2.gz MOVWKUVVMLYLMS-LBPRGKRZSA-N 0 1 271.360 3.233 20 10 CGCDMN Oc1c(Cl)cccc1CN1CCOC[C@H]1c1ccco1 ZINC000367742142 526325613 /nfs/dbraw/zinc/32/56/13/526325613.db2.gz YUDHKIKDRCLHQI-ZDUSSCGKSA-N 0 1 293.750 3.212 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000290363271 526328494 /nfs/dbraw/zinc/32/84/94/526328494.db2.gz AAVCIAWGKHNISM-GOEBONIOSA-N 0 1 291.366 3.065 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCC(F)(F)F ZINC000097988876 526363426 /nfs/dbraw/zinc/36/34/26/526363426.db2.gz HBEPMOVPVCECJZ-UHFFFAOYSA-N 0 1 267.678 3.478 20 10 CGCDMN Cc1ncc(C[NH2+]Cc2c([O-])cccc2Cl)s1 ZINC000083552441 527272013 /nfs/dbraw/zinc/27/20/13/527272013.db2.gz ADFVWLOZZJWFEB-UHFFFAOYSA-N 0 1 268.769 3.100 20 10 CGCDMN C[C@@H]1C[C@H](C)C[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000740857868 571885664 /nfs/dbraw/zinc/88/56/64/571885664.db2.gz BAKBAWYDGXENMS-NWDGAFQWSA-N 0 1 256.349 3.171 20 10 CGCDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000740857868 571885668 /nfs/dbraw/zinc/88/56/68/571885668.db2.gz BAKBAWYDGXENMS-NWDGAFQWSA-N 0 1 256.349 3.171 20 10 CGCDMN CCN(C)c1ccc(CN(C)Cc2c(C)noc2C)cc1 ZINC000741752670 572521709 /nfs/dbraw/zinc/52/17/09/572521709.db2.gz DXCHVEQMRAIHQN-UHFFFAOYSA-N 0 1 287.407 3.380 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000734850479 572688027 /nfs/dbraw/zinc/68/80/27/572688027.db2.gz KZYFCOSSLVTDFC-AWEZNQCLSA-N 0 1 295.741 3.008 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792169592 629343377 /nfs/dbraw/zinc/34/33/77/629343377.db2.gz MDIIODVVNFVNTC-SECBINFHSA-N 0 1 257.736 3.417 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CCC(F)(F)C1 ZINC000792174161 629344597 /nfs/dbraw/zinc/34/45/97/629344597.db2.gz OYLLXRQMHHOIIL-UHFFFAOYSA-N 0 1 265.662 3.026 20 10 CGCDMN O=[N+]([O-])c1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000052926133 618739064 /nfs/dbraw/zinc/73/90/64/618739064.db2.gz ANHWFLUUBSNDQP-UHFFFAOYSA-N 0 1 292.722 3.244 20 10 CGCDMN CN(Cc1ccco1)Cc1cc(Cl)ccc1O ZINC000162154991 618740927 /nfs/dbraw/zinc/74/09/27/618740927.db2.gz LVXFQRPBXQYEMO-UHFFFAOYSA-N 0 1 251.713 3.271 20 10 CGCDMN C[N@H+](Cc1ccco1)Cc1cc(Cl)ccc1[O-] ZINC000162154991 618740928 /nfs/dbraw/zinc/74/09/28/618740928.db2.gz LVXFQRPBXQYEMO-UHFFFAOYSA-N 0 1 251.713 3.271 20 10 CGCDMN C[N@@H+](Cc1ccco1)Cc1cc(Cl)ccc1[O-] ZINC000162154991 618740930 /nfs/dbraw/zinc/74/09/30/618740930.db2.gz LVXFQRPBXQYEMO-UHFFFAOYSA-N 0 1 251.713 3.271 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCSC2)c(Cl)c1 ZINC000840902330 619072112 /nfs/dbraw/zinc/07/21/12/619072112.db2.gz OBQKNPNLKPOSCR-JTQLQIEISA-N 0 1 271.813 3.339 20 10 CGCDMN CC(C)(C)C[N@@H+](CCCO)Cc1cc(Cl)ccc1[O-] ZINC000093146135 619169620 /nfs/dbraw/zinc/16/96/20/619169620.db2.gz BVQRWKHKHQFJAQ-UHFFFAOYSA-N 0 1 285.815 3.276 20 10 CGCDMN [O-]c1cc(Br)ccc1C[NH+]1CCCCC1 ZINC000258183339 619210583 /nfs/dbraw/zinc/21/05/83/619210583.db2.gz SUVPJGHDDNMCHM-UHFFFAOYSA-N 0 1 270.170 3.141 20 10 CGCDMN COc1cc(C)cc(CN[C@@H](C)c2nc(C)cs2)c1O ZINC000894217841 619428587 /nfs/dbraw/zinc/42/85/87/619428587.db2.gz FHXABLXDDLAANB-NSHDSACASA-N 0 1 292.404 3.325 20 10 CGCDMN Cc1cc(N(C)C)ccc1CNCc1cnc(Cl)s1 ZINC000895152385 619757598 /nfs/dbraw/zinc/75/75/98/619757598.db2.gz ULPBSPLFJNEUGA-UHFFFAOYSA-N 0 1 295.839 3.461 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895845685 619893454 /nfs/dbraw/zinc/89/34/54/619893454.db2.gz HWNISKVQDZUGFF-FZMZJTMJSA-N 0 1 281.783 3.047 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000896577423 620029103 /nfs/dbraw/zinc/02/91/03/620029103.db2.gz KXNMKLZPSKAESZ-CYBMUJFWSA-N 0 1 271.360 3.156 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CCO1 ZINC000896577423 620029107 /nfs/dbraw/zinc/02/91/07/620029107.db2.gz KXNMKLZPSKAESZ-CYBMUJFWSA-N 0 1 271.360 3.156 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000897035308 620123425 /nfs/dbraw/zinc/12/34/25/620123425.db2.gz QLPIVBVZEMQPMA-UHFFFAOYSA-N 0 1 295.810 3.173 20 10 CGCDMN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cc(F)ccc1[O-] ZINC000185644458 625404996 /nfs/dbraw/zinc/40/49/96/625404996.db2.gz QUDLXQFQUALZIL-KNXALSJPSA-N 0 1 281.371 3.123 20 10 CGCDMN C[C@@H](NCc1ccon1)c1ccc2ccccc2c1O ZINC000148607388 620398754 /nfs/dbraw/zinc/39/87/54/620398754.db2.gz XZFLLQBEAJDUMT-LLVKDONJSA-N 0 1 268.316 3.384 20 10 CGCDMN C[C@@H]1CC2(CC([NH2+]Cc3c([O-])cccc3Cl)C2)CO1 ZINC000897779850 620430415 /nfs/dbraw/zinc/43/04/15/620430415.db2.gz CGQJSFFFUSLEOX-RWWNRMGGSA-N 0 1 281.783 3.093 20 10 CGCDMN CCc1onc(C)c1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000927142670 620601517 /nfs/dbraw/zinc/60/15/17/620601517.db2.gz VHQFUTKGIYQIRK-GFCCVEGCSA-N 0 1 287.407 3.462 20 10 CGCDMN Cc1cc(O)c(CN2CCO[C@@H](C)[C@@H]2C)cc1C(C)C ZINC000164189830 622819586 /nfs/dbraw/zinc/81/95/86/622819586.db2.gz DCHJTBQPIAWPSZ-KBPBESRZSA-N 0 1 277.408 3.433 20 10 CGCDMN CC1(C[NH2+]Cc2cc(Br)ccc2[O-])CCC1 ZINC000165480073 622864265 /nfs/dbraw/zinc/86/42/65/622864265.db2.gz VGOCMWMUQZLGFP-UHFFFAOYSA-N 0 1 284.197 3.435 20 10 CGCDMN C[C@@](CO)([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000227212991 623013041 /nfs/dbraw/zinc/01/30/41/623013041.db2.gz NGDALAGVOLEOQM-INIZCTEOSA-N 0 1 291.778 3.043 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000171110387 623132638 /nfs/dbraw/zinc/13/26/38/623132638.db2.gz UFWSIRFACNJKNE-UHFFFAOYSA-N 0 1 299.374 3.293 20 10 CGCDMN CC[C@H](N)C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000817981000 625632243 /nfs/dbraw/zinc/63/22/43/625632243.db2.gz YUBJWYOTIHCZLI-KWQFWETISA-N 0 1 291.222 3.477 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]CCOC1CCCC1 ZINC000083552243 625648339 /nfs/dbraw/zinc/64/83/39/625648339.db2.gz YMPXFWGSDIEISA-UHFFFAOYSA-N 0 1 269.772 3.094 20 10 CGCDMN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccccn1 ZINC000921475262 624598459 /nfs/dbraw/zinc/59/84/59/624598459.db2.gz UIHKVDTZXQJIAO-ZDUSSCGKSA-N 0 1 268.360 3.257 20 10 CGCDMN CCOC(=O)C1(N(C)Cc2ccccc2O)CCCCC1 ZINC000179580909 624665878 /nfs/dbraw/zinc/66/58/78/624665878.db2.gz RLENPZGBVZLZQK-UHFFFAOYSA-N 0 1 291.391 3.090 20 10 CGCDMN Cc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cccnc2)c1 ZINC000183726648 625119880 /nfs/dbraw/zinc/11/98/80/625119880.db2.gz CFRUHWQJNGJNQR-ZDUSSCGKSA-N 0 1 256.349 3.289 20 10 CGCDMN Cc1cc(O)c(CN2CCOC[C@H]2C)cc1C(C)C ZINC000073586310 625799781 /nfs/dbraw/zinc/79/97/81/625799781.db2.gz ZIATZXFKJBHQEX-CYBMUJFWSA-N 0 1 263.381 3.045 20 10 CGCDMN CCc1onc(C)c1CNC/C=C/c1ccc(N(C)C)cc1 ZINC000922985269 626113286 /nfs/dbraw/zinc/11/32/86/626113286.db2.gz ZEGPBNOAJCCGGQ-VOTSOKGWSA-N 0 1 299.418 3.414 20 10 CGCDMN COc1cccc(CN2CC(C)(CC(F)(F)F)C2)c1O ZINC000839142922 626323196 /nfs/dbraw/zinc/32/31/96/626323196.db2.gz KYZFFTSYCUJQBI-UHFFFAOYSA-N 0 1 289.297 3.175 20 10 CGCDMN C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756606197 626719943 /nfs/dbraw/zinc/71/99/43/626719943.db2.gz WMLCRTVAHVDULL-SRRSOLGSSA-N 0 1 281.371 3.076 20 10 CGCDMN CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756624118 626721103 /nfs/dbraw/zinc/72/11/03/626721103.db2.gz DJOXGCCESFNWMP-CIQGVGRVSA-N 0 1 295.398 3.466 20 10 CGCDMN CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756628731 626722045 /nfs/dbraw/zinc/72/20/45/626722045.db2.gz XEHPYDTURSDYPY-DMDPSCGWSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@H]1C[C@@H]([NH2+]CC2(CCO)CCC2)c2c1c(F)ccc2[O-] ZINC000756765949 626729770 /nfs/dbraw/zinc/72/97/70/626729770.db2.gz TWQRUKNARIRJHH-WCQYABFASA-N 0 1 293.382 3.222 20 10 CGCDMN Cc1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])ncn1 ZINC000756775900 626731186 /nfs/dbraw/zinc/73/11/86/626731186.db2.gz MOHJRAKNBMILHB-ZDUSSCGKSA-N 0 1 293.370 3.495 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCCSCC1 ZINC000757877151 626811850 /nfs/dbraw/zinc/81/18/50/626811850.db2.gz VVWALPSJRIBMLX-UHFFFAOYSA-N 0 1 275.776 3.124 20 10 CGCDMN Cc1cc(CCNCc2cocn2)c(C)n1-c1ccccc1 ZINC000758300079 626836427 /nfs/dbraw/zinc/83/64/27/626836427.db2.gz DNXVCUQCJREOSS-UHFFFAOYSA-N 0 1 295.386 3.414 20 10 CGCDMN CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CCC1 ZINC000761201117 627024696 /nfs/dbraw/zinc/02/46/96/627024696.db2.gz DJOWZFLDTCRQHM-UHFFFAOYSA-N 0 1 269.772 3.429 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C1CCC1 ZINC000761201117 627024698 /nfs/dbraw/zinc/02/46/98/627024698.db2.gz DJOWZFLDTCRQHM-UHFFFAOYSA-N 0 1 269.772 3.429 20 10 CGCDMN CCOc1ccc(C[N@H+]2CCCC(C)(C)C2)c(O)c1 ZINC000768892111 627506326 /nfs/dbraw/zinc/50/63/26/627506326.db2.gz LDIIIKXPTVDIRP-UHFFFAOYSA-N 0 1 263.381 3.413 20 10 CGCDMN Cc1cccc(CN(C)Cc2cc(Cl)ccc2O)n1 ZINC000769481228 627558698 /nfs/dbraw/zinc/55/86/98/627558698.db2.gz SYOYDPLWJDNEEG-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN Cc1cccc(C[N@@H+](C)Cc2cc(Cl)ccc2[O-])n1 ZINC000769481228 627558702 /nfs/dbraw/zinc/55/87/02/627558702.db2.gz SYOYDPLWJDNEEG-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN Cc1cccc(C[N@H+](C)Cc2cc(Cl)ccc2[O-])n1 ZINC000769481228 627558704 /nfs/dbraw/zinc/55/87/04/627558704.db2.gz SYOYDPLWJDNEEG-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1cc(Cl)ccc1[O-] ZINC000769986019 627595059 /nfs/dbraw/zinc/59/50/59/627595059.db2.gz GIULRFJTTKKONB-NOZJJQNGSA-N 0 1 297.807 3.491 20 10 CGCDMN C[C@@H](N[C@H](CO)c1ccsc1)c1ccc(N(C)C)cc1 ZINC000769991615 627596382 /nfs/dbraw/zinc/59/63/82/627596382.db2.gz YZRQVSCTOFIPHJ-MLGOLLRUSA-N 0 1 290.432 3.198 20 10 CGCDMN CCN(C)c1ccc(CN2CCOC[C@@]2(C)CC)cc1 ZINC000773829255 627917946 /nfs/dbraw/zinc/91/79/46/627917946.db2.gz ZVJFGWRPPIOKKC-QGZVFWFLSA-N 0 1 276.424 3.144 20 10 CGCDMN CC[C@@H](NCc1nccn1C)c1cc(Cl)ccc1O ZINC000775499366 628100900 /nfs/dbraw/zinc/10/09/00/628100900.db2.gz RMGTYYCHIWUGEM-GFCCVEGCSA-N 0 1 279.771 3.020 20 10 CGCDMN CC[C@@H]([NH2+]Cc1nccn1C)c1cc(Cl)ccc1[O-] ZINC000775499366 628100907 /nfs/dbraw/zinc/10/09/07/628100907.db2.gz RMGTYYCHIWUGEM-GFCCVEGCSA-N 0 1 279.771 3.020 20 10 CGCDMN CC[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000775513673 628102615 /nfs/dbraw/zinc/10/26/15/628102615.db2.gz RSKFEPDQYRCNMJ-WFASDCNBSA-N 0 1 296.842 3.428 20 10 CGCDMN CC[C@H]([NH2+]CCc1cnccn1)c1cc(Cl)ccc1[O-] ZINC000775531944 628104323 /nfs/dbraw/zinc/10/43/23/628104323.db2.gz PUKJOZURIACQHX-AWEZNQCLSA-N 0 1 291.782 3.119 20 10 CGCDMN C[N@@H+](Cc1cccc(O)c1)Cc1cccc(Cl)c1[O-] ZINC000775632877 628116934 /nfs/dbraw/zinc/11/69/34/628116934.db2.gz CPAOGLQMZRBELG-UHFFFAOYSA-N 0 1 277.751 3.383 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775638571 628118542 /nfs/dbraw/zinc/11/85/42/628118542.db2.gz LKVGXPCMNROPQB-SECBINFHSA-N 0 1 257.736 3.417 20 10 CGCDMN Cc1cc(Br)cc(CN2CCC2(C)C)c1O ZINC000775700597 628126900 /nfs/dbraw/zinc/12/69/00/628126900.db2.gz KUFPJYZGCFRAJY-UHFFFAOYSA-N 0 1 284.197 3.447 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C[C@@H]1F ZINC000777965510 628317017 /nfs/dbraw/zinc/31/70/17/628317017.db2.gz WZKIOESJEZUMBD-ABAIWWIYSA-N 0 1 274.339 3.120 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@@H]1F ZINC000777965510 628317020 /nfs/dbraw/zinc/31/70/20/628317020.db2.gz WZKIOESJEZUMBD-ABAIWWIYSA-N 0 1 274.339 3.120 20 10 CGCDMN CC(C)(C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1O ZINC000779432243 628413071 /nfs/dbraw/zinc/41/30/71/628413071.db2.gz PQLMPRHVHGSJDG-ZFWWWQNUSA-N 0 1 297.826 3.275 20 10 CGCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1O ZINC000779432243 628413074 /nfs/dbraw/zinc/41/30/74/628413074.db2.gz PQLMPRHVHGSJDG-ZFWWWQNUSA-N 0 1 297.826 3.275 20 10 CGCDMN COc1ccc(CN[C@@H](C)c2ccncc2OC)cc1C ZINC000782546288 628654223 /nfs/dbraw/zinc/65/42/23/628654223.db2.gz YICQSSZGXDBSGR-ZDUSSCGKSA-N 0 1 286.375 3.258 20 10 CGCDMN Cc1nccnc1[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000783294262 628700342 /nfs/dbraw/zinc/70/03/42/628700342.db2.gz IWYASSDZHZDYGM-GXTWGEPZSA-N 0 1 284.407 3.263 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1CCC=CO1)c1cc(Cl)ccc1[O-] ZINC000783310204 628702337 /nfs/dbraw/zinc/70/23/37/628702337.db2.gz LPRNMBCWXSPVMC-CMPLNLGQSA-N 0 1 267.756 3.389 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C12CCC(CC1)C2 ZINC000784643259 628827050 /nfs/dbraw/zinc/82/70/50/628827050.db2.gz JNFMOQVYVIZBSL-UHFFFAOYSA-N 0 1 251.757 3.468 20 10 CGCDMN CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000790484662 629213144 /nfs/dbraw/zinc/21/31/44/629213144.db2.gz HFCHJGVOHKFJNH-HNNXBMFYSA-N 0 1 296.842 3.256 20 10 CGCDMN Oc1ccccc1CN(Cc1ncccn1)C1CCCC1 ZINC000792233026 629351193 /nfs/dbraw/zinc/35/11/93/629351193.db2.gz UNXVRMNNBVVVAP-UHFFFAOYSA-N 0 1 283.375 3.127 20 10 CGCDMN CC[C@H](C)[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000862387183 629359566 /nfs/dbraw/zinc/35/95/66/629359566.db2.gz IJGCUEYQFKJCLW-VIFPVBQESA-N 0 1 292.206 3.292 20 10 CGCDMN C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H](C2CC2)O1 ZINC000793215254 629429442 /nfs/dbraw/zinc/42/94/42/629429442.db2.gz SJPWZBIQFMAQAQ-LKFCYVNXSA-N 0 1 299.773 3.184 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(F)(F)CC1 ZINC000794687819 629567791 /nfs/dbraw/zinc/56/77/91/629567791.db2.gz ZLCJYGKETAXWGS-UHFFFAOYSA-N 0 1 278.302 3.172 20 10 CGCDMN Cc1cc(C)c(O)c(CN2CCC=C(Br)C2)c1 ZINC000799573808 630200191 /nfs/dbraw/zinc/20/01/91/630200191.db2.gz DSBOXQSWBZNYAG-UHFFFAOYSA-N 0 1 296.208 3.494 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCOC1 ZINC000801596005 630346360 /nfs/dbraw/zinc/34/63/60/630346360.db2.gz YUEFWKIAUZLYBV-AWEZNQCLSA-N 0 1 263.381 3.031 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCOC1 ZINC000801596005 630346363 /nfs/dbraw/zinc/34/63/63/630346363.db2.gz YUEFWKIAUZLYBV-AWEZNQCLSA-N 0 1 263.381 3.031 20 10 CGCDMN CCOCC[N@@H+](CC)Cc1cc(Cl)c(F)cc1[O-] ZINC000816497611 631984807 /nfs/dbraw/zinc/98/48/07/631984807.db2.gz KHSOLLUSKXNDGL-UHFFFAOYSA-N 0 1 275.751 3.043 20 10 CGCDMN CC[C@H]1CO[C@@H](C)CN1Cc1cc(Cl)c(F)cc1O ZINC000816481217 631987722 /nfs/dbraw/zinc/98/77/22/631987722.db2.gz MWHVMLUXRTYHIG-ONGXEEELSA-N 0 1 287.762 3.184 20 10 CGCDMN [O-]c1c(C[NH2+]CCCOCC2CC2)ccc2ccccc21 ZINC000816530827 632004833 /nfs/dbraw/zinc/00/48/33/632004833.db2.gz WSHBYJLKQFMDDJ-UHFFFAOYSA-N 0 1 285.387 3.452 20 10 CGCDMN CO[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1(C)C ZINC000816554705 632009852 /nfs/dbraw/zinc/00/98/52/632009852.db2.gz HCODNJWVWBFXTD-JKSUJKDBSA-N 0 1 285.387 3.449 20 10 CGCDMN C[C@@H]1C[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816560742 632013773 /nfs/dbraw/zinc/01/37/73/632013773.db2.gz YSLOARXUCXOGRI-ZIAGYGMSSA-N 0 1 285.387 3.450 20 10 CGCDMN [O-]c1c(C[NH2+][C@H]2CCC[C@H]2CCO)ccc2ccccc21 ZINC000816575711 632015855 /nfs/dbraw/zinc/01/58/55/632015855.db2.gz WLPSXUMTYZUQCB-YOEHRIQHSA-N 0 1 285.387 3.186 20 10 CGCDMN C[C@@H]1CSCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816591845 632019885 /nfs/dbraw/zinc/01/98/85/632019885.db2.gz PMXCBSKHRMPDDM-VIFPVBQESA-N 0 1 289.803 3.370 20 10 CGCDMN Cc1cc(Br)cc(CN2C[C@H](C)[C@H]2C)c1O ZINC000816649144 632038184 /nfs/dbraw/zinc/03/81/84/632038184.db2.gz UXEJVHGBRYHYJZ-VHSXEESVSA-N 0 1 284.197 3.303 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000818230781 632300093 /nfs/dbraw/zinc/30/00/93/632300093.db2.gz SKYDTOUFGRKRAX-QWHCGFSZSA-N 0 1 251.757 3.324 20 10 CGCDMN CCOC[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824906317 633304134 /nfs/dbraw/zinc/30/41/34/633304134.db2.gz NKCYOUZHUKFRJY-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN CCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824906317 633304135 /nfs/dbraw/zinc/30/41/35/633304135.db2.gz NKCYOUZHUKFRJY-GFCCVEGCSA-N 0 1 283.799 3.212 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133680 633331610 /nfs/dbraw/zinc/33/16/10/633331610.db2.gz KHCFKMFQGWSBOA-HNNXBMFYSA-N 0 1 281.783 3.048 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133680 633331614 /nfs/dbraw/zinc/33/16/14/633331614.db2.gz KHCFKMFQGWSBOA-HNNXBMFYSA-N 0 1 281.783 3.048 20 10 CGCDMN Cc1cc(Cl)cc(C[NH2+]CC(C)(C)C(C)(C)O)c1[O-] ZINC000825201259 633336038 /nfs/dbraw/zinc/33/60/38/633336038.db2.gz JEFWVISNDBYZGJ-UHFFFAOYSA-N 0 1 285.815 3.241 20 10 CGCDMN COC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000825294631 633342792 /nfs/dbraw/zinc/34/27/92/633342792.db2.gz URSASZMJLCEXKX-GFCCVEGCSA-N 0 1 287.762 3.186 20 10 CGCDMN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825316579 633344421 /nfs/dbraw/zinc/34/44/21/633344421.db2.gz XFNSESVHHYLRGA-MFKMUULPSA-N 0 1 285.815 3.241 20 10 CGCDMN CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCCO1 ZINC000825390193 633351891 /nfs/dbraw/zinc/35/18/91/633351891.db2.gz CHZHTAZLFBQMEL-DZGCQCFKSA-N 0 1 283.799 3.401 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCOCC2)cc1Cl ZINC000825405505 633353081 /nfs/dbraw/zinc/35/30/81/633353081.db2.gz HUFHSSRKEGCLOY-GFCCVEGCSA-N 0 1 269.772 3.013 20 10 CGCDMN CC[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825568326 633365567 /nfs/dbraw/zinc/36/55/67/633365567.db2.gz WOIGORZMKYHHDR-INIZCTEOSA-N 0 1 297.826 3.339 20 10 CGCDMN CC[C@]1(CO)CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825568326 633365569 /nfs/dbraw/zinc/36/55/69/633365569.db2.gz WOIGORZMKYHHDR-INIZCTEOSA-N 0 1 297.826 3.339 20 10 CGCDMN CC[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825568326 633365574 /nfs/dbraw/zinc/36/55/74/633365574.db2.gz WOIGORZMKYHHDR-INIZCTEOSA-N 0 1 297.826 3.339 20 10 CGCDMN CC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2[O-])CCCO1 ZINC000825768437 633381388 /nfs/dbraw/zinc/38/13/88/633381388.db2.gz MGDIAAYQOUVQEG-CYBMUJFWSA-N 0 1 283.799 3.355 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2[O-])CCCO1 ZINC000825768437 633381390 /nfs/dbraw/zinc/38/13/90/633381390.db2.gz MGDIAAYQOUVQEG-CYBMUJFWSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H](C2CC2)C(C)(C)CO)cc1Cl ZINC000825948963 633391671 /nfs/dbraw/zinc/39/16/71/633391671.db2.gz NJNAAZOSXKFMQC-OAHLLOKOSA-N 0 1 297.826 3.241 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC[C@H](C)O2)cc1Cl ZINC000827252044 633475329 /nfs/dbraw/zinc/47/53/29/633475329.db2.gz URKULTGOJJRORC-WCQYABFASA-N 0 1 283.799 3.401 20 10 CGCDMN Cc1cc(O)c(CN2CCOc3ccc(O)cc3C2)cc1C ZINC000827655744 633508311 /nfs/dbraw/zinc/50/83/11/633508311.db2.gz BXIOWXKTOWVOBZ-UHFFFAOYSA-N 0 1 299.370 3.109 20 10 CGCDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)c1ccccc1O ZINC000827941526 633538348 /nfs/dbraw/zinc/53/83/48/633538348.db2.gz SYXNJRLDBULXCX-SNVBAGLBSA-N 0 1 287.363 3.038 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH+]2[C@H](C)CC[C@H]2C)c1[O-] ZINC000123408214 633671999 /nfs/dbraw/zinc/67/19/99/633671999.db2.gz HUTDJKOSUKUDFZ-NXEZZACHSA-N 0 1 265.328 3.107 20 10 CGCDMN CC(C)c1cc(CN[C@@H]2CCc3cccc(O)c32)on1 ZINC000834585865 634191064 /nfs/dbraw/zinc/19/10/64/634191064.db2.gz VHPPKLYDDREZDB-CYBMUJFWSA-N 0 1 272.348 3.281 20 10 CGCDMN CCn1ccnc1[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000834589428 634192856 /nfs/dbraw/zinc/19/28/56/634192856.db2.gz JYTUDBNGCSMVSM-AWEZNQCLSA-N 0 1 286.423 3.128 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873155890 634263963 /nfs/dbraw/zinc/26/39/63/634263963.db2.gz HYWGYXGAYZLECB-ZETOZRRWSA-N 0 1 281.783 3.093 20 10 CGCDMN CCc1ncc(CN[C@@H](C)c2ccc(C)c(C)c2O)o1 ZINC000834899596 634277018 /nfs/dbraw/zinc/27/70/18/634277018.db2.gz LBIHPIJYXQKATN-LBPRGKRZSA-N 0 1 274.364 3.410 20 10 CGCDMN CC[C@H](NCc1ncccc1OC)c1ccc(N(C)C)cc1 ZINC000834904988 634281426 /nfs/dbraw/zinc/28/14/26/634281426.db2.gz DNBRQRRXCXDXAT-INIZCTEOSA-N 0 1 299.418 3.397 20 10 CGCDMN Cc1ccc(CNCc2ccn(C3CCCC3)n2)c(O)c1 ZINC000877100829 634984208 /nfs/dbraw/zinc/98/42/08/634984208.db2.gz WQUACGQKAXTOQE-UHFFFAOYSA-N 0 1 285.391 3.302 20 10 CGCDMN Cc1c(NCc2ccc(F)c(F)c2O)cnn1CC(C)C ZINC000877134818 634996590 /nfs/dbraw/zinc/99/65/90/634996590.db2.gz YQRHCLUNNMGMIC-UHFFFAOYSA-N 0 1 295.333 3.443 20 10 CGCDMN C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877317282 635024098 /nfs/dbraw/zinc/02/40/98/635024098.db2.gz IBPVCPCXGCUOLJ-JTQLQIEISA-N 0 1 278.302 3.258 20 10 CGCDMN [O-]c1c(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)ccc(F)c1F ZINC000877538739 635078802 /nfs/dbraw/zinc/07/88/02/635078802.db2.gz DDMMWINXSBBZTI-OAHLLOKOSA-N 0 1 279.330 3.435 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCOC(C)(C)C2)c(Cl)c1 ZINC000840908165 635080507 /nfs/dbraw/zinc/08/05/07/635080507.db2.gz VPNAXHULDWDXSH-NSHDSACASA-N 0 1 283.799 3.401 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCOC[C@H]2C)c(Cl)c1 ZINC000840946985 635089942 /nfs/dbraw/zinc/08/99/42/635089942.db2.gz IUIRMNCEKUODQO-VXGBXAGGSA-N 0 1 283.799 3.116 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CC(C3CC3)C2)c(Cl)c1 ZINC000840947763 635089974 /nfs/dbraw/zinc/08/99/74/635089974.db2.gz LMPRIUOSQOWKCI-UHFFFAOYSA-N 0 1 251.757 3.196 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(Cl)c1 ZINC000840949812 635090836 /nfs/dbraw/zinc/09/08/36/635090836.db2.gz CHEYBTCRIWKQOQ-INIZCTEOSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@]3(CCOC3)C2)c(Cl)c1 ZINC000840949812 635090846 /nfs/dbraw/zinc/09/08/46/635090846.db2.gz CHEYBTCRIWKQOQ-INIZCTEOSA-N 0 1 295.810 3.357 20 10 CGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1CC1(F)F ZINC000840967295 635096314 /nfs/dbraw/zinc/09/63/14/635096314.db2.gz DRUZABRDZLNONL-OIBJUYFYSA-N 0 1 261.699 3.179 20 10 CGCDMN Cc1c(NCc2ccc(F)c(F)c2O)n[nH]c1C(C)C ZINC000877606123 635108797 /nfs/dbraw/zinc/10/87/97/635108797.db2.gz PGRSTMUTNMZLIE-UHFFFAOYSA-N 0 1 281.306 3.437 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877739384 635173181 /nfs/dbraw/zinc/17/31/81/635173181.db2.gz SBEOAAUJJGPGMU-NEPJUHHUSA-N 0 1 283.824 3.231 20 10 CGCDMN C[C@@H]([NH2+]CCN1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841745624 635221510 /nfs/dbraw/zinc/22/15/10/635221510.db2.gz RKYKXXWFYOTVFX-GFCCVEGCSA-N 0 1 282.815 3.182 20 10 CGCDMN C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(Cl)cc1[O-] ZINC000841748495 635223649 /nfs/dbraw/zinc/22/36/49/635223649.db2.gz ACPPLYCTZQVLMN-OTYXRUKQSA-N 0 1 297.807 3.491 20 10 CGCDMN CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841758389 635231362 /nfs/dbraw/zinc/23/13/62/635231362.db2.gz GSVZJOXLTTUXHR-RBZYPMLTSA-N 0 1 271.788 3.103 20 10 CGCDMN C[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(Cl)cc1[O-] ZINC000841757393 635231896 /nfs/dbraw/zinc/23/18/96/635231896.db2.gz GCJTXKZMFQNWLR-HZMBPMFUSA-N 0 1 269.772 3.265 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1O)C[C@H]1CCO[C@H]1C ZINC000878565648 635558301 /nfs/dbraw/zinc/55/83/01/635558301.db2.gz NFTFLMNOUUXWSQ-LSDHHAIUSA-N 0 1 277.408 3.419 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H]1C ZINC000878565648 635558304 /nfs/dbraw/zinc/55/83/04/635558304.db2.gz NFTFLMNOUUXWSQ-LSDHHAIUSA-N 0 1 277.408 3.419 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCO[C@H]1C ZINC000878565648 635558309 /nfs/dbraw/zinc/55/83/09/635558309.db2.gz NFTFLMNOUUXWSQ-LSDHHAIUSA-N 0 1 277.408 3.419 20 10 CGCDMN CCN(C)c1ccc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000846275549 636170447 /nfs/dbraw/zinc/17/04/47/636170447.db2.gz UCUYADYIFWMFKS-INIZCTEOSA-N 0 1 292.423 3.074 20 10 CGCDMN CSc1ccc(CNCc2ccc(N(C)C)cc2)o1 ZINC000882880834 636445042 /nfs/dbraw/zinc/44/50/42/636445042.db2.gz KWQYVNURKAHUDK-UHFFFAOYSA-N 0 1 276.405 3.357 20 10 CGCDMN COc1ccc2c(c1)CN(Cc1cc3c(cc1O)CCC3)C2 ZINC000848499457 636580782 /nfs/dbraw/zinc/58/07/82/636580782.db2.gz LAUUIEIZPKRJEH-UHFFFAOYSA-N 0 1 295.382 3.405 20 10 CGCDMN CCc1cccc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1O ZINC000848911197 636686631 /nfs/dbraw/zinc/68/66/31/636686631.db2.gz RKEKVKBTMHOFKR-YOEHRIQHSA-N 0 1 291.435 3.470 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(Br)cc1[O-] ZINC000134915427 637049654 /nfs/dbraw/zinc/04/96/54/637049654.db2.gz GZMRRGFGVLBUGR-GUBZILKMSA-N 0 1 284.197 3.461 20 10 CGCDMN Cc1cncc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000850549223 637118189 /nfs/dbraw/zinc/11/81/89/637118189.db2.gz FGHAJMPSRDYGAQ-NSHDSACASA-N 0 1 291.782 3.037 20 10 CGCDMN CCCN1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000850554046 637118726 /nfs/dbraw/zinc/11/87/26/637118726.db2.gz HHJVDXAJCGJOII-YPMHNXCESA-N 0 1 282.815 3.181 20 10 CGCDMN C[C@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)c1nccn1C ZINC000850571781 637128662 /nfs/dbraw/zinc/12/86/62/637128662.db2.gz AOOMZXZTIGOKDN-JFGNBEQYSA-N 0 1 289.354 3.164 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CC[C@@H](OC)C1 ZINC000851793050 637505046 /nfs/dbraw/zinc/50/50/46/637505046.db2.gz VUIGTHLCOAMFET-LSDHHAIUSA-N 0 1 263.381 3.172 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CC[C@@H](OC)C1 ZINC000851793050 637505048 /nfs/dbraw/zinc/50/50/48/637505048.db2.gz VUIGTHLCOAMFET-LSDHHAIUSA-N 0 1 263.381 3.172 20 10 CGCDMN Cc1cc(CN2CCO[C@@](C)(C3CC3)C2)ccc1N(C)C ZINC000852324130 637634466 /nfs/dbraw/zinc/63/44/66/637634466.db2.gz HKKPMNSMUSFMEU-GOSISDBHSA-N 0 1 288.435 3.062 20 10 CGCDMN CCN(C)c1ccc(CN2CC3(CCC3)OC[C@@H]2C)cc1 ZINC000852444055 637653047 /nfs/dbraw/zinc/65/30/47/637653047.db2.gz NONSSGMHBDODKH-HNNXBMFYSA-N 0 1 288.435 3.286 20 10 CGCDMN CC[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(OC)n1 ZINC000924901622 638422616 /nfs/dbraw/zinc/42/26/16/638422616.db2.gz SHCVKCHRQDPJMC-OAHLLOKOSA-N 0 1 298.386 3.266 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH+]1CCCCC1 ZINC000034145205 638501466 /nfs/dbraw/zinc/50/14/66/638501466.db2.gz AFJPNAAPYCCFNG-UHFFFAOYSA-N 0 1 270.170 3.141 20 10 CGCDMN C/C=C/C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000858538414 638757715 /nfs/dbraw/zinc/75/77/15/638757715.db2.gz UOTYBPSCGXYIAL-NWALNABHSA-N 0 1 270.170 3.381 20 10 CGCDMN C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1cc(F)ccc1[O-] ZINC000926917232 638825151 /nfs/dbraw/zinc/82/51/51/638825151.db2.gz ZCBOUDGTYJSHQW-HFBAOOFYSA-N 0 1 279.355 3.141 20 10 CGCDMN CCCCN(Cc1nn(C)cc1C)Cc1ccccc1O ZINC000930352036 638992332 /nfs/dbraw/zinc/99/23/32/638992332.db2.gz STLZPEZUBYVIGL-UHFFFAOYSA-N 0 1 287.407 3.236 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccsc1 ZINC000083551898 640596599 /nfs/dbraw/zinc/59/65/99/640596599.db2.gz SMADGAALSMGAGA-UHFFFAOYSA-N 0 1 253.754 3.397 20 10 CGCDMN O=[N+]([O-])c1ccccc1CNCc1c(O)cccc1Cl ZINC000083551946 640597720 /nfs/dbraw/zinc/59/77/20/640597720.db2.gz HKVDMNMRPUMRMV-UHFFFAOYSA-N 0 1 292.722 3.244 20 10 CGCDMN O=[N+]([O-])c1ccccc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000083551946 640597724 /nfs/dbraw/zinc/59/77/24/640597724.db2.gz HKVDMNMRPUMRMV-UHFFFAOYSA-N 0 1 292.722 3.244 20 10 CGCDMN Cc1cc(O)c(CN2CCO[C@@H](C)[C@H]2C)cc1C(C)C ZINC000246863465 640697717 /nfs/dbraw/zinc/69/77/17/640697717.db2.gz DCHJTBQPIAWPSZ-KGLIPLIRSA-N 0 1 277.408 3.433 20 10 CGCDMN COc1cc(-c2nc3ccc(F)c(C)c3[nH]2)cc(O)c1O ZINC001250488031 805647449 /nfs/dbraw/zinc/64/74/49/805647449.db2.gz BJNSWHQPYCSCQM-UHFFFAOYSA-N 0 1 288.278 3.097 20 10 CGCDMN Oc1cc(-c2nnc(C3CCC3)o2)cc(Cl)c1O ZINC001255257569 806585795 /nfs/dbraw/zinc/58/57/95/806585795.db2.gz VTHKGIJIQKFSDS-UHFFFAOYSA-N 0 1 266.684 3.069 20 10 CGCDMN C[C@H](Cc1ccco1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000036993984 798854578 /nfs/dbraw/zinc/85/45/78/798854578.db2.gz PJTSPCNEYWZUOC-SNVBAGLBSA-N 0 1 265.740 3.359 20 10 CGCDMN C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000161294630 799079481 /nfs/dbraw/zinc/07/94/81/799079481.db2.gz GGCFNNMQLJZFCB-VHSXEESVSA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000161294630 799079488 /nfs/dbraw/zinc/07/94/88/799079488.db2.gz GGCFNNMQLJZFCB-VHSXEESVSA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@H]([NH2+]CCN1CC=CCC1)c1ccc2ccccc2c1[O-] ZINC000392290763 799480375 /nfs/dbraw/zinc/48/03/75/799480375.db2.gz KMJPICFLEDGQDW-HNNXBMFYSA-N 0 1 296.414 3.458 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C2CC(C)(C)C2)c1[O-] ZINC000395456577 799506262 /nfs/dbraw/zinc/50/62/62/799506262.db2.gz CCCHPDUKVGWLQV-UHFFFAOYSA-N 0 1 279.355 3.354 20 10 CGCDMN C[C@@H]([NH2+]CC1(N(C)C)CC1)c1ccc2ccccc2c1[O-] ZINC000397869726 799522203 /nfs/dbraw/zinc/52/22/03/799522203.db2.gz IWKOOXCGHDWTMA-CYBMUJFWSA-N 0 1 284.403 3.290 20 10 CGCDMN Cc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000400929155 799551850 /nfs/dbraw/zinc/55/18/50/799551850.db2.gz NFHDHGNMZMLNNG-CQSZACIVSA-N 0 1 269.392 3.307 20 10 CGCDMN CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000690344653 799775883 /nfs/dbraw/zinc/77/58/83/799775883.db2.gz WQIKYTQTPVCTKI-LLVKDONJSA-N 0 1 282.815 3.008 20 10 CGCDMN CC(C)CC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691395199 799783846 /nfs/dbraw/zinc/78/38/46/799783846.db2.gz KSFRCBQYLCEVQA-UHFFFAOYSA-N 0 1 272.186 3.290 20 10 CGCDMN CO[C@H](C[NH2+]Cc1c([O-])cccc1Cl)C1CCCC1 ZINC000692951721 799804509 /nfs/dbraw/zinc/80/45/09/799804509.db2.gz PDESUSFYQPWFDQ-OAHLLOKOSA-N 0 1 283.799 3.340 20 10 CGCDMN C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701044228 799883175 /nfs/dbraw/zinc/88/31/75/799883175.db2.gz PEGAOQBSYIFQHI-CABZTGNLSA-N 0 1 284.197 3.433 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000706854248 799967575 /nfs/dbraw/zinc/96/75/75/799967575.db2.gz XNIWBIRFZCYLOJ-GMTAPVOTSA-N 0 1 296.208 3.433 20 10 CGCDMN CC(C)C1([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000706835653 799967842 /nfs/dbraw/zinc/96/78/42/799967842.db2.gz HMVBFRWUBGHDLD-UHFFFAOYSA-N 0 1 284.197 3.433 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000707138890 799973625 /nfs/dbraw/zinc/97/36/25/799973625.db2.gz IOGUODLZSGAAQC-PHIMTYICSA-N 0 1 296.208 3.387 20 10 CGCDMN [O-]c1cccc(Br)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000707138890 799973634 /nfs/dbraw/zinc/97/36/34/799973634.db2.gz IOGUODLZSGAAQC-PHIMTYICSA-N 0 1 296.208 3.387 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](CF)C1 ZINC000711476453 800062082 /nfs/dbraw/zinc/06/20/82/800062082.db2.gz MRVVEFQLPCDMBR-SNVBAGLBSA-N 0 1 257.736 3.227 20 10 CGCDMN COc1ccc(CN[C@@H](C)c2ccns2)cc1C ZINC000715966383 800156282 /nfs/dbraw/zinc/15/62/82/800156282.db2.gz OKCBORHFQWZDAW-NSHDSACASA-N 0 1 262.378 3.311 20 10 CGCDMN CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2[O-])C1 ZINC001119236984 802636915 /nfs/dbraw/zinc/63/69/15/802636915.db2.gz KYFCFVVGONNZCB-QWRGUYRKSA-N 0 1 287.375 3.386 20 10 CGCDMN C[C@H]1C(=O)CC[N@@H+](Cc2cccc(F)c2[O-])C12CCCC2 ZINC001138130946 803866550 /nfs/dbraw/zinc/86/65/50/803866550.db2.gz LYZDUFXPTCLCGW-LBPRGKRZSA-N 0 1 291.366 3.255 20 10 CGCDMN CC(=O)[C@H]1CCCCN1Cc1c(C)n(C)c2ccccc21 ZINC001138258338 803885092 /nfs/dbraw/zinc/88/50/92/803885092.db2.gz QNACOAHXQGNCFX-QGZVFWFLSA-N 0 1 284.403 3.430 20 10 CGCDMN Cc1ccc(C)c(CN2CC(Oc3ccccc3)C2)c1O ZINC001140179842 804396753 /nfs/dbraw/zinc/39/67/53/804396753.db2.gz QBRNAFCPVYZWBH-UHFFFAOYSA-N 0 1 283.371 3.272 20 10 CGCDMN C[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)CC[C@@]1(C)O ZINC001140337725 804418216 /nfs/dbraw/zinc/41/82/16/804418216.db2.gz BCSPTPFDRCALOL-XHDPSFHLSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)CC[C@@]1(C)O ZINC001140337725 804418218 /nfs/dbraw/zinc/41/82/18/804418218.db2.gz BCSPTPFDRCALOL-XHDPSFHLSA-N 0 1 283.799 3.029 20 10 CGCDMN Oc1ccc2c(c1)CCN(Cc1ccc(Cl)cc1O)C2 ZINC001140463266 804440994 /nfs/dbraw/zinc/44/09/94/804440994.db2.gz YJRZBCUKOPZSQJ-UHFFFAOYSA-N 0 1 289.762 3.310 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001140461887 804442217 /nfs/dbraw/zinc/44/22/17/804442217.db2.gz WXPFPZJRJJYXQQ-QWRGUYRKSA-N 0 1 251.757 3.278 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001140467213 804443258 /nfs/dbraw/zinc/44/32/58/804443258.db2.gz PWTJWBADAZRFSV-ZDUSSCGKSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001140467213 804443262 /nfs/dbraw/zinc/44/32/62/804443262.db2.gz PWTJWBADAZRFSV-ZDUSSCGKSA-N 0 1 288.778 3.430 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001140580696 804466652 /nfs/dbraw/zinc/46/66/52/804466652.db2.gz CXLPTGSMIDSNLY-GHMZBOCLSA-N 0 1 267.319 3.292 20 10 CGCDMN CCC[N@H+](Cc1c([O-])cc(F)cc1F)CC1CC1 ZINC001140579880 804467186 /nfs/dbraw/zinc/46/71/86/804467186.db2.gz KFUGFBKNVSXHKL-UHFFFAOYSA-N 0 1 255.308 3.292 20 10 CGCDMN Cc1ccc(O)c(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001140619774 804476827 /nfs/dbraw/zinc/47/68/27/804476827.db2.gz OBPMCLOJAFOGCI-ZDUSSCGKSA-N 0 1 273.298 3.270 20 10 CGCDMN Cc1ccc(O)c(CN2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001140619774 804476830 /nfs/dbraw/zinc/47/68/30/804476830.db2.gz OBPMCLOJAFOGCI-ZDUSSCGKSA-N 0 1 273.298 3.270 20 10 CGCDMN Cc1c(O)ccc(C[N@H+]2CCc3cc(F)ccc3C2)c1O ZINC001140747482 804504113 /nfs/dbraw/zinc/50/41/13/804504113.db2.gz BJHNWYJZDQDGKQ-UHFFFAOYSA-N 0 1 287.334 3.104 20 10 CGCDMN Cc1c(O)ccc(CN2CCc3cc(F)ccc3C2)c1O ZINC001140747482 804504120 /nfs/dbraw/zinc/50/41/20/804504120.db2.gz BJHNWYJZDQDGKQ-UHFFFAOYSA-N 0 1 287.334 3.104 20 10 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CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000399505274 928808398 /nfs/dbraw/zinc/80/83/98/928808398.db2.gz LWXQZZWLNNMTAT-QMTHXVAHSA-N 0 1 279.355 3.354 20 10 CGCDMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000399505274 928808406 /nfs/dbraw/zinc/80/84/06/928808406.db2.gz LWXQZZWLNNMTAT-QMTHXVAHSA-N 0 1 279.355 3.354 20 10 CGCDMN CC1(C)CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[O-])OC1 ZINC001462542704 937649419 /nfs/dbraw/zinc/64/94/19/937649419.db2.gz MQXKWXHZEVJAHF-ZDUSSCGKSA-N 0 1 283.799 3.340 20 10 CGCDMN COc1ccnc(NC/C=C/c2ccc(N(C)C)cc2)c1 ZINC001308355519 933099958 /nfs/dbraw/zinc/09/99/58/933099958.db2.gz JXGRLXZKQIGXDV-SNAWJCMRSA-N 0 1 283.375 3.282 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001308844978 933187599 /nfs/dbraw/zinc/18/75/99/933187599.db2.gz DJCLEMUFLPYQCU-TVYUQYBPSA-N 0 1 251.757 3.324 20 10 CGCDMN COc1nscc1CN(C)Cc1cccc(Cl)c1O ZINC001308955899 933212940 /nfs/dbraw/zinc/21/29/40/933212940.db2.gz ZJEMUWJWDQUPAO-UHFFFAOYSA-N 0 1 298.795 3.143 20 10 CGCDMN Cc1occc1C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC001333704630 936057327 /nfs/dbraw/zinc/05/73/27/936057327.db2.gz ZGYOHXGICCPUDI-UHFFFAOYSA-N 0 1 267.275 3.204 20 10 CGCDMN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1csc(N)n1 ZINC001335252463 936135602 /nfs/dbraw/zinc/13/56/02/936135602.db2.gz ILGPPMITIVGBJR-ONGXEEELSA-N 0 1 289.404 3.077 20 10 CGCDMN Cc1cc(Cl)cc(C[N@@H+](CC(=O)[O-])C2CCCC2)c1O ZINC001600218852 960545386 /nfs/dbraw/zinc/54/53/86/960545386.db2.gz CMDLGNZBWXLOAC-UHFFFAOYSA-N 0 1 297.782 3.183 20 10 CGCDMN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c([O-])cccc1Cl ZINC000289143792 371750846 /nfs/dbraw/zinc/75/08/46/371750846.db2.gz ANBLEUAOJYVEIG-WFASDCNBSA-N 0 1 294.826 3.104 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000160245057 372230231 /nfs/dbraw/zinc/23/02/31/372230231.db2.gz NKDAUMLFLSWREC-SNVBAGLBSA-N 0 1 277.261 3.306 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000294071220 372572563 /nfs/dbraw/zinc/57/25/63/372572563.db2.gz QMBCDIWGSUAFPU-HOTGVXAUSA-N 0 1 293.794 3.189 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000294743625 372670780 /nfs/dbraw/zinc/67/07/80/372670780.db2.gz QYKLCZMCYWCMBN-ONGXEEELSA-N 0 1 287.762 3.184 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000294743607 372670959 /nfs/dbraw/zinc/67/09/59/372670959.db2.gz QYKLCZMCYWCMBN-KOLCDFICSA-N 0 1 287.762 3.184 20 10 CGCDMN COC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295135142 372694925 /nfs/dbraw/zinc/69/49/25/372694925.db2.gz PBHIHGYFKYHYHK-AWEZNQCLSA-N 0 1 287.762 3.043 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cc(Cl)ccc1[O-] ZINC000296506469 373157799 /nfs/dbraw/zinc/15/77/99/373157799.db2.gz PIJMLPNTONUBEH-NOZJJQNGSA-N 0 1 269.772 3.264 20 10 CGCDMN CCn1ccnc1CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000296632045 373201450 /nfs/dbraw/zinc/20/14/50/373201450.db2.gz XLGAEKHOIVSULR-ZDUSSCGKSA-N 0 1 273.380 3.076 20 10 CGCDMN COCCN(Cc1ccc(C)o1)Cc1cc(F)ccc1O ZINC000180209908 373979143 /nfs/dbraw/zinc/97/91/43/373979143.db2.gz AHKVIGQEHRMGKY-UHFFFAOYSA-N 0 1 293.338 3.081 20 10 CGCDMN C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])N(C)C1CC1 ZINC000185368504 374649059 /nfs/dbraw/zinc/64/90/59/374649059.db2.gz QMAFANGOOMMAKW-MNOVXSKESA-N 0 1 282.815 3.179 20 10 CGCDMN C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000273475303 378747309 /nfs/dbraw/zinc/74/73/09/378747309.db2.gz KNLYUWSPIAUPSZ-KBPBESRZSA-N 0 1 295.386 3.481 20 10 CGCDMN CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273596462 378755740 /nfs/dbraw/zinc/75/57/40/378755740.db2.gz QVNKDWYDAFBCEW-GWCFXTLKSA-N 0 1 271.788 3.103 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000371859769 379178880 /nfs/dbraw/zinc/17/88/80/379178880.db2.gz YDPQFDSTXWYCDH-HNNXBMFYSA-N 0 1 277.339 3.108 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000371859769 379178887 /nfs/dbraw/zinc/17/88/87/379178887.db2.gz YDPQFDSTXWYCDH-HNNXBMFYSA-N 0 1 277.339 3.108 20 10 CGCDMN CC[C@@H]([NH2+]CCF)c1cc(Br)ccc1[O-] ZINC000281149565 379819827 /nfs/dbraw/zinc/81/98/27/379819827.db2.gz VBMBAYFQKMYRFY-SNVBAGLBSA-N 0 1 276.149 3.165 20 10 CGCDMN CCCCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000076275391 176968016 /nfs/dbraw/zinc/96/80/16/176968016.db2.gz JAASAWBNZGOQMZ-UHFFFAOYSA-N 0 1 272.186 3.435 20 10 CGCDMN CCOc1ccc(O)c(CN(C)Cc2ccc(C)o2)c1 ZINC000160870865 261229359 /nfs/dbraw/zinc/22/93/59/261229359.db2.gz VFACOIAMEPMNNS-UHFFFAOYSA-N 0 1 275.348 3.324 20 10 CGCDMN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186174987 262083039 /nfs/dbraw/zinc/08/30/39/262083039.db2.gz CZIJLTMOEBMDTO-IAQYHMDHSA-N 0 1 283.387 3.225 20 10 CGCDMN C[C@H](N[C@@H](CCO)c1ccco1)c1ccc(N(C)C)cc1 ZINC000186546774 262097968 /nfs/dbraw/zinc/09/79/68/262097968.db2.gz CVZCASQXGULVMS-BBRMVZONSA-N 0 1 288.391 3.120 20 10 CGCDMN C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000186558668 262098855 /nfs/dbraw/zinc/09/88/55/262098855.db2.gz CRPWLENWWKRMGF-ZWNOBZJWSA-N 0 1 295.766 3.413 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000291700910 281246766 /nfs/dbraw/zinc/24/67/66/281246766.db2.gz ZBEQVPBDGSRXIB-HIFRSBDPSA-N 0 1 295.810 3.435 20 10 CGCDMN CC[C@H]([NH2+]CC1COC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000528024927 330304912 /nfs/dbraw/zinc/30/49/12/330304912.db2.gz FDRDGLBOGRBNPO-LBPRGKRZSA-N 0 1 289.297 3.098 20 10 CGCDMN C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000159745402 330850878 /nfs/dbraw/zinc/85/08/78/330850878.db2.gz PSUOKCPZKQXQMB-ZDUSSCGKSA-N 0 1 295.386 3.172 20 10 CGCDMN CC(C)(C)c1cnc(CNCc2ccccc2O)s1 ZINC000279058868 519072686 /nfs/dbraw/zinc/07/26/86/519072686.db2.gz FCDWZLPYLGKPMD-UHFFFAOYSA-N 0 1 276.405 3.436 20 10 CGCDMN CCC1(O)CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000266106899 519846707 /nfs/dbraw/zinc/84/67/07/519846707.db2.gz ROQXQMDTYCPZFH-UHFFFAOYSA-N 0 1 285.387 3.282 20 10 CGCDMN CCOc1cccc(CN(Cc2ccccn2)C2CC2)c1O ZINC000290394252 521332747 /nfs/dbraw/zinc/33/27/47/521332747.db2.gz JABUDYOEODTZGE-UHFFFAOYSA-N 0 1 298.386 3.351 20 10 CGCDMN COC[C@@H](NCc1cc(C)c(C)cc1O)c1ccc(C)o1 ZINC000080238015 522360930 /nfs/dbraw/zinc/36/09/30/522360930.db2.gz ICOCLGFYNPNYLZ-OAHLLOKOSA-N 0 1 289.375 3.388 20 10 CGCDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1cncs1 ZINC000128564117 525527025 /nfs/dbraw/zinc/52/70/25/525527025.db2.gz QHIIUZBHUWGVTN-LLVKDONJSA-N 0 1 261.394 3.060 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000275943573 526363766 /nfs/dbraw/zinc/36/37/66/526363766.db2.gz IOCZXIRGAQDDAJ-INIZCTEOSA-N 0 1 295.810 3.437 20 10 CGCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)N1CCC(C)CC1 ZINC000733326337 572556420 /nfs/dbraw/zinc/55/64/20/572556420.db2.gz XOJQDOHOJRUGBZ-CYBMUJFWSA-N 0 1 296.842 3.256 20 10 CGCDMN C[C@@H]1C[NH+](Cc2c([O-])ccc3ccncc32)C[C@@H](C)S1 ZINC000743376734 572655138 /nfs/dbraw/zinc/65/51/38/572655138.db2.gz URHIAXFXNRBJDA-VXGBXAGGSA-N 0 1 288.416 3.266 20 10 CGCDMN O=C([O-])[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000833772422 604530093 /nfs/dbraw/zinc/53/00/93/604530093.db2.gz GMUIOPWBGCTQSA-MRXNPFEDSA-N 0 1 297.354 3.108 20 10 CGCDMN CC(C)C[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000307771487 618077953 /nfs/dbraw/zinc/07/79/53/618077953.db2.gz GMSBEBCFLCBRHM-LBPRGKRZSA-N 0 1 251.345 3.399 20 10 CGCDMN CCn1ccc(CN[C@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000840840418 618246548 /nfs/dbraw/zinc/24/65/48/618246548.db2.gz KCNZOANHHSGRFH-MFKMUULPSA-N 0 1 289.354 3.086 20 10 CGCDMN CCn1ccc(CN[C@@H](C)c2cc(Cl)ccc2O)n1 ZINC000840841056 618261417 /nfs/dbraw/zinc/26/14/17/618261417.db2.gz QYPAKLKZUABRIO-JTQLQIEISA-N 0 1 279.771 3.113 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCN1CCCCCC1 ZINC000040767439 618395808 /nfs/dbraw/zinc/39/58/08/618395808.db2.gz ABHPIMCGDRIVHJ-UHFFFAOYSA-N 0 1 282.815 3.011 20 10 CGCDMN CCN(CC)c1ccc(CN2CCOC3(CCC3)C2)cc1 ZINC000093640635 618402399 /nfs/dbraw/zinc/40/23/99/618402399.db2.gz GFMFBFWTWRMJOV-UHFFFAOYSA-N 0 1 288.435 3.288 20 10 CGCDMN Cc1cccc(CC[NH2+]Cc2c([O-])cccc2Cl)n1 ZINC000280689380 618761697 /nfs/dbraw/zinc/76/16/97/618761697.db2.gz VQBAVVNCVGLNHO-UHFFFAOYSA-N 0 1 276.767 3.081 20 10 CGCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000163869084 618891584 /nfs/dbraw/zinc/89/15/84/618891584.db2.gz PTNVGHDMOJYAPW-LBPRGKRZSA-N 0 1 251.345 3.399 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2nccs2)c(Cl)c1 ZINC000840886923 618892029 /nfs/dbraw/zinc/89/20/29/618892029.db2.gz OINRXZYOKSHQDC-UHFFFAOYSA-N 0 1 282.796 3.143 20 10 CGCDMN Oc1cc(Cl)cc(CNCc2ccc3c(c2)CCO3)c1 ZINC000892792865 618936853 /nfs/dbraw/zinc/93/68/53/618936853.db2.gz HZCKMOIDPQUUEU-UHFFFAOYSA-N 0 1 289.762 3.270 20 10 CGCDMN Cc1cc(Cl)cc(C[NH2+]CC2(CO)CCCCC2)c1[O-] ZINC000776229462 619118143 /nfs/dbraw/zinc/11/81/43/619118143.db2.gz CNVIJSBRIKZLMG-UHFFFAOYSA-N 0 1 297.826 3.386 20 10 CGCDMN C[C@H]([NH2+]CCc1ccnn1C)c1ccc2ccccc2c1[O-] ZINC000184009270 619162180 /nfs/dbraw/zinc/16/21/80/619162180.db2.gz ZHNQECVRHRAMSR-ZDUSSCGKSA-N 0 1 295.386 3.172 20 10 CGCDMN Cc1noc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000185972354 619223465 /nfs/dbraw/zinc/22/34/65/619223465.db2.gz YPPXKGXWEPNTBY-LLVKDONJSA-N 0 1 297.358 3.130 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CCC3(CCO3)CC2)c(Cl)c1 ZINC000840942952 619240909 /nfs/dbraw/zinc/24/09/09/619240909.db2.gz NDFMEKARGUTTHP-UHFFFAOYSA-N 0 1 281.783 3.109 20 10 CGCDMN [O-]c1c(C[NH2+][C@@H](CO)CC2CCC2)ccc2ccccc21 ZINC000894835124 619647809 /nfs/dbraw/zinc/64/78/09/619647809.db2.gz RVTRDHAORNXBFS-MRXNPFEDSA-N 0 1 285.387 3.186 20 10 CGCDMN Cc1ccc(O)c([C@H](C)NCc2nccn2CC(C)C)c1 ZINC000185545848 625374753 /nfs/dbraw/zinc/37/47/53/625374753.db2.gz IUSHWAIRTXHNTH-AWEZNQCLSA-N 0 1 287.407 3.404 20 10 CGCDMN [O-]c1c(C[NH+]2CCC(F)CC2)ccc2ccccc21 ZINC000895547374 619843686 /nfs/dbraw/zinc/84/36/86/619843686.db2.gz WICJWVAEPRKHDR-UHFFFAOYSA-N 0 1 259.324 3.479 20 10 CGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895844430 619892760 /nfs/dbraw/zinc/89/27/60/619892760.db2.gz FOTGYTBAMMZKMT-ZUZCIYMTSA-N 0 1 299.773 3.186 20 10 CGCDMN Cc1cccc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)c1 ZINC000109771054 620321822 /nfs/dbraw/zinc/32/18/22/620321822.db2.gz CAESZNSACQHAAF-AWEZNQCLSA-N 0 1 298.386 3.160 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000898111697 620479170 /nfs/dbraw/zinc/47/91/70/620479170.db2.gz FWCZHSGRZITQCT-CQSZACIVSA-N 0 1 281.783 3.237 20 10 CGCDMN CN(Cc1cccc(Cl)n1)Cc1ccccc1O ZINC000173359074 623320574 /nfs/dbraw/zinc/32/05/74/623320574.db2.gz XOLDVOOSNBAUNE-UHFFFAOYSA-N 0 1 262.740 3.073 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CC=CCC1 ZINC000083552233 625648471 /nfs/dbraw/zinc/64/84/71/625648471.db2.gz JFUOLBJBSVHQMU-LLVKDONJSA-N 0 1 251.757 3.492 20 10 CGCDMN C[C@@H](NCc1nccn1C)c1ccc2ccccc2c1O ZINC000071273020 625069709 /nfs/dbraw/zinc/06/97/09/625069709.db2.gz NPEILIMCQAQFHJ-GFCCVEGCSA-N 0 1 281.359 3.130 20 10 CGCDMN C[N@@H+](Cc1cnccn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000092591270 626009611 /nfs/dbraw/zinc/00/96/11/626009611.db2.gz BVPQHSPHNRWQHT-UHFFFAOYSA-N 0 1 298.173 3.121 20 10 CGCDMN C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(Cl)ccc1[O-] ZINC000756572818 626096901 /nfs/dbraw/zinc/09/69/01/626096901.db2.gz ILINRZLXZQJWKG-QMTHXVAHSA-N 0 1 269.772 3.123 20 10 CGCDMN CN(Cc1ccc(N(C)C)cc1)Cc1ccc2c(n1)CCC2 ZINC000838781023 626252538 /nfs/dbraw/zinc/25/25/38/626252538.db2.gz KXEIQNKMUIKFHZ-UHFFFAOYSA-N 0 1 295.430 3.268 20 10 CGCDMN CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756536437 626713216 /nfs/dbraw/zinc/71/32/16/626713216.db2.gz VRLIPXGPORWSKT-VXGBXAGGSA-N 0 1 284.831 3.427 20 10 CGCDMN Cc1ccc2nc(CN[C@H](C)c3cc(F)ccc3O)cn2c1 ZINC000756534040 626713363 /nfs/dbraw/zinc/71/33/63/626713363.db2.gz JYWADJZWMLMJSR-GFCCVEGCSA-N 0 1 299.349 3.338 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)c2c1c(F)ccc2[O-] ZINC000756676670 626726561 /nfs/dbraw/zinc/72/65/61/626726561.db2.gz MXACUABIOFEWBS-HKUMRIAESA-N 0 1 293.382 3.484 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]CC2(C)CCOCC2)c2c1c(F)ccc2[O-] ZINC000756747589 626729369 /nfs/dbraw/zinc/72/93/69/626729369.db2.gz RMVZCQIUZCZSIS-AAEUAGOBSA-N 0 1 293.382 3.486 20 10 CGCDMN Cc1nccc(NCc2ccc(N(C)C)cc2)c1Cl ZINC000759064453 626872435 /nfs/dbraw/zinc/87/24/35/626872435.db2.gz FPWQVUKJFSTTSL-UHFFFAOYSA-N 0 1 275.783 3.143 20 10 CGCDMN C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccc2ccccc2c1[O-] ZINC000760038002 626937402 /nfs/dbraw/zinc/93/74/02/626937402.db2.gz LVRLKPVOQIKYAL-CMPLNLGQSA-N 0 1 295.329 3.212 20 10 CGCDMN CC[C@@H]([NH2+]CCC1CC(O)C1)c1cc(Cl)ccc1[O-] ZINC000762646651 627119111 /nfs/dbraw/zinc/11/91/11/627119111.db2.gz ASJDXFDDKWXBCW-MMWSSPAHSA-N 0 1 283.799 3.247 20 10 CGCDMN C/C=C\C[C@H](NCc1cccc(Cl)c1O)C(=O)OCC ZINC000763358759 627153826 /nfs/dbraw/zinc/15/38/26/627153826.db2.gz MOLNAVNBTQAIEO-DXTPNHAXSA-N 0 1 297.782 3.033 20 10 CGCDMN C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCO[C@H]1C1CC1 ZINC000767195639 627389316 /nfs/dbraw/zinc/38/93/16/627389316.db2.gz OLAAGLUFSQXNOL-HOTGVXAUSA-N 0 1 295.810 3.340 20 10 CGCDMN CN(C)c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000768236606 627470371 /nfs/dbraw/zinc/47/03/71/627470371.db2.gz HEDHDDUECPOGSK-LJQANCHMSA-N 0 1 296.414 3.326 20 10 CGCDMN COc1cccc(CN(Cc2ccc(C)o2)C2CC2)c1O ZINC000768258140 627470874 /nfs/dbraw/zinc/47/08/74/627470874.db2.gz QNUKXIPDBHCCBI-UHFFFAOYSA-N 0 1 287.359 3.467 20 10 CGCDMN CCCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H](C)CC ZINC000768439077 627480095 /nfs/dbraw/zinc/48/00/95/627480095.db2.gz GNDQWMJXMPJTRB-LRDDRELGSA-N 0 1 293.407 3.219 20 10 CGCDMN CCCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)[C@@H](C)CC ZINC000768439077 627480097 /nfs/dbraw/zinc/48/00/97/627480097.db2.gz GNDQWMJXMPJTRB-LRDDRELGSA-N 0 1 293.407 3.219 20 10 CGCDMN C[C@@H]1[C@H](C)SCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000769446241 627552884 /nfs/dbraw/zinc/55/28/84/627552884.db2.gz LAZWJSBXBOLHCV-NEPJUHHUSA-N 0 1 282.428 3.218 20 10 CGCDMN CSC[C@H]1CCC[N@H+]1Cc1c(O)cccc1Cl ZINC000769516111 627561807 /nfs/dbraw/zinc/56/18/07/627561807.db2.gz OFCDAQXFWGYRFK-SNVBAGLBSA-N 0 1 271.813 3.373 20 10 CGCDMN CSC[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000769516111 627561808 /nfs/dbraw/zinc/56/18/08/627561808.db2.gz OFCDAQXFWGYRFK-SNVBAGLBSA-N 0 1 271.813 3.373 20 10 CGCDMN CSC[C@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000769516111 627561810 /nfs/dbraw/zinc/56/18/10/627561810.db2.gz OFCDAQXFWGYRFK-SNVBAGLBSA-N 0 1 271.813 3.373 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2cccc(O)c2)cc1F ZINC000771934507 627746401 /nfs/dbraw/zinc/74/64/01/627746401.db2.gz ANELTSBCQYBYQH-UHFFFAOYSA-N 0 1 288.366 3.229 20 10 CGCDMN COc1cccc([O-])c1C[N@H+](CC1CCC1)C(C)C ZINC000775178533 628069417 /nfs/dbraw/zinc/06/94/17/628069417.db2.gz UXEFIWQJJZKTON-UHFFFAOYSA-N 0 1 263.381 3.411 20 10 CGCDMN COc1cccc([O-])c1C[N@@H+](CC1CCC1)C(C)C ZINC000775178533 628069419 /nfs/dbraw/zinc/06/94/19/628069419.db2.gz UXEFIWQJJZKTON-UHFFFAOYSA-N 0 1 263.381 3.411 20 10 CGCDMN CC[C@H]([NH2+]CC(C)(C)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775482905 628097787 /nfs/dbraw/zinc/09/77/87/628097787.db2.gz GHBZJJZMMZVMGC-ZDUSSCGKSA-N 0 1 284.831 3.427 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cc(Cl)ccc1[O-] ZINC000775492198 628100361 /nfs/dbraw/zinc/10/03/61/628100361.db2.gz NHVMMIUKKUCYDK-IUODEOHRSA-N 0 1 296.842 3.428 20 10 CGCDMN CCC[C@@H](O)C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775503636 628101963 /nfs/dbraw/zinc/10/19/63/628101963.db2.gz LEXMFPHZFGIRSN-DGCLKSJQSA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@@H](CCO)[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775509993 628102537 /nfs/dbraw/zinc/10/25/37/628102537.db2.gz UEZGGIYEPZRUJM-AAEUAGOBSA-N 0 1 271.788 3.247 20 10 CGCDMN C/C=C/C[C@H](CO)[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775554385 628106248 /nfs/dbraw/zinc/10/62/48/628106248.db2.gz ITWUBEUQCKIVLM-CLDOCUBWSA-N 0 1 283.799 3.413 20 10 CGCDMN CC[C@H]1CO[C@@H](C)CN1Cc1cc(Cl)cc(F)c1O ZINC000775641488 628118295 /nfs/dbraw/zinc/11/82/95/628118295.db2.gz AYWGHHDPFCVJFD-CABZTGNLSA-N 0 1 287.762 3.184 20 10 CGCDMN Cn1cccc1C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000775714587 628128430 /nfs/dbraw/zinc/12/84/30/628128430.db2.gz UDTDGQGUODDADC-UHFFFAOYSA-N 0 1 264.756 3.016 20 10 CGCDMN C[C@@H]1N(Cc2cc(Cl)cc(F)c2O)CCOC1(C)C ZINC000775708644 628128537 /nfs/dbraw/zinc/12/85/37/628128537.db2.gz NRPUWBRMLRNONQ-VIFPVBQESA-N 0 1 287.762 3.184 20 10 CGCDMN CN(C)c1ccc(CNCc2ccc(Cl)cn2)cc1F ZINC000776255335 628185252 /nfs/dbraw/zinc/18/52/52/628185252.db2.gz UODXBMFSDHHVBQ-UHFFFAOYSA-N 0 1 293.773 3.230 20 10 CGCDMN CCOC[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000779070986 628386671 /nfs/dbraw/zinc/38/66/71/628386671.db2.gz CMCYWMYAQKAJPT-VHSXEESVSA-N 0 1 257.761 3.121 20 10 CGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]1CCO ZINC000779202607 628394496 /nfs/dbraw/zinc/39/44/96/628394496.db2.gz QGBXFMZUUNJRMQ-NSHDSACASA-N 0 1 290.190 3.046 20 10 CGCDMN CC(C)(C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1O ZINC000779432240 628413254 /nfs/dbraw/zinc/41/32/54/628413254.db2.gz PQLMPRHVHGSJDG-DZGCQCFKSA-N 0 1 297.826 3.275 20 10 CGCDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1O ZINC000779432240 628413257 /nfs/dbraw/zinc/41/32/57/628413257.db2.gz PQLMPRHVHGSJDG-DZGCQCFKSA-N 0 1 297.826 3.275 20 10 CGCDMN Cc1cc(CN[C@H](C)c2nccnc2C)ccc1N(C)C ZINC000783252288 628695125 /nfs/dbraw/zinc/69/51/25/628695125.db2.gz OIRNQXDYQCTSBC-CQSZACIVSA-N 0 1 284.407 3.010 20 10 CGCDMN CCN(CC)c1ccc(C[N@@H+](C)CCCCC(=O)[O-])cc1 ZINC000783735928 628743699 /nfs/dbraw/zinc/74/36/99/628743699.db2.gz PZFPJHCJAAOYBG-UHFFFAOYSA-N 0 1 292.423 3.220 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCC[C@H]2C)c1[O-] ZINC000787994709 629038213 /nfs/dbraw/zinc/03/82/13/629038213.db2.gz KTMOMCNAJRTDSF-OTYXRUKQSA-N 0 1 265.328 3.012 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000789508829 629141703 /nfs/dbraw/zinc/14/17/03/629141703.db2.gz SDPGQDCRBGQTIO-AEFFLSMTSA-N 0 1 298.386 3.084 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000789508829 629141707 /nfs/dbraw/zinc/14/17/07/629141707.db2.gz SDPGQDCRBGQTIO-AEFFLSMTSA-N 0 1 298.386 3.084 20 10 CGCDMN Oc1ccc(Cl)c(F)c1CN1CCOC2(CCCC2)C1 ZINC000792166074 629342142 /nfs/dbraw/zinc/34/21/42/629342142.db2.gz OWHSPJFTIKSPAK-UHFFFAOYSA-N 0 1 299.773 3.330 20 10 CGCDMN CO[C@@]1(C)CCCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862351410 629347460 /nfs/dbraw/zinc/34/74/60/629347460.db2.gz OXJKCNDPGARYRN-INIZCTEOSA-N 0 1 298.377 3.032 20 10 CGCDMN Cc1ccc(CCC[N@H+](C)Cc2ccccc2O)cn1 ZINC000792787260 629381807 /nfs/dbraw/zinc/38/18/07/629381807.db2.gz ASHRIIPHMOZLSY-UHFFFAOYSA-N 0 1 270.376 3.160 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1Cl ZINC000862529537 629391284 /nfs/dbraw/zinc/39/12/84/629391284.db2.gz MMPQFUIRHVUDMI-DOMZBBRYSA-N 0 1 281.783 3.011 20 10 CGCDMN CCN(CC)c1ccc(CNCc2cccnc2F)cc1 ZINC000793285043 629439930 /nfs/dbraw/zinc/43/99/30/629439930.db2.gz MEKMFVWFOAWAHF-UHFFFAOYSA-N 0 1 287.382 3.357 20 10 CGCDMN COCCC1([NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000793330361 629444301 /nfs/dbraw/zinc/44/43/01/629444301.db2.gz WUDVCIWLZVUIAI-UHFFFAOYSA-N 0 1 269.772 3.094 20 10 CGCDMN CSCCC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000798963509 630130967 /nfs/dbraw/zinc/13/09/67/630130967.db2.gz GRVDNYSCHBFQIN-UHFFFAOYSA-N 0 1 277.792 3.370 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCOC1 ZINC000801597460 630346585 /nfs/dbraw/zinc/34/65/85/630346585.db2.gz HMQFGQYPCGBSGB-OAHLLOKOSA-N 0 1 277.408 3.421 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCOC1 ZINC000801597460 630346587 /nfs/dbraw/zinc/34/65/87/630346587.db2.gz HMQFGQYPCGBSGB-OAHLLOKOSA-N 0 1 277.408 3.421 20 10 CGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O)c1[O-] ZINC000808697740 630666507 /nfs/dbraw/zinc/66/65/07/630666507.db2.gz SOIJZFVEBQNLJY-DLOVCJGASA-N 0 1 285.815 3.412 20 10 CGCDMN COc1cccc(CNCc2ncc(C(C)C)s2)c1O ZINC000809740188 630796799 /nfs/dbraw/zinc/79/67/99/630796799.db2.gz ODDKJUUKRXHBHC-UHFFFAOYSA-N 0 1 292.404 3.271 20 10 CGCDMN CC(C)[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCOC1 ZINC000812776993 631307233 /nfs/dbraw/zinc/30/72/33/631307233.db2.gz UJHZXBJJMMUBEX-GFCCVEGCSA-N 0 1 287.762 3.184 20 10 CGCDMN CC[N@H+](Cc1c([O-])cccc1OC)CC(C)(C)C ZINC000812795063 631313707 /nfs/dbraw/zinc/31/37/07/631313707.db2.gz WBPTTWSUMKOUBG-UHFFFAOYSA-N 0 1 251.370 3.269 20 10 CGCDMN CC[N@@H+](Cc1c([O-])cccc1OC)CC(C)(C)C ZINC000812795063 631313712 /nfs/dbraw/zinc/31/37/12/631313712.db2.gz WBPTTWSUMKOUBG-UHFFFAOYSA-N 0 1 251.370 3.269 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](O)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000813884899 631476158 /nfs/dbraw/zinc/47/61/58/631476158.db2.gz OXNJPSGTUPXHHC-CMPLNLGQSA-N 0 1 291.313 3.223 20 10 CGCDMN C[C@H]1CN(Cc2cc(F)ccc2O)Cc2ccccc2O1 ZINC000814177580 631538805 /nfs/dbraw/zinc/53/88/05/631538805.db2.gz HLCNAMRJOWLSCC-LBPRGKRZSA-N 0 1 287.334 3.314 20 10 CGCDMN Cc1cc(CN2CC3(C2)CC(F)(F)C3)ccc1N(C)C ZINC000815079838 631712915 /nfs/dbraw/zinc/71/29/15/631712915.db2.gz YAGMHLWZGMRZBA-UHFFFAOYSA-N 0 1 280.362 3.292 20 10 CGCDMN CC1(C)CCC[C@@]1(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000815146755 631729417 /nfs/dbraw/zinc/72/94/17/631729417.db2.gz KSLMFFVVJNAUGD-OAHLLOKOSA-N 0 1 283.799 3.076 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CC(C)(C)O1 ZINC000816496371 631994138 /nfs/dbraw/zinc/99/41/38/631994138.db2.gz HIARMXFXDKLPLC-SECBINFHSA-N 0 1 287.762 3.184 20 10 CGCDMN CC[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@@H](C)O1 ZINC000816496235 631994820 /nfs/dbraw/zinc/99/48/20/631994820.db2.gz BFOFSBQUCNRPER-MWLCHTKSSA-N 0 1 287.762 3.184 20 10 CGCDMN COC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816509478 631998378 /nfs/dbraw/zinc/99/83/78/631998378.db2.gz RHINIZLZOCGFGJ-CQSZACIVSA-N 0 1 285.387 3.404 20 10 CGCDMN COC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816509478 631998385 /nfs/dbraw/zinc/99/83/85/631998385.db2.gz RHINIZLZOCGFGJ-CQSZACIVSA-N 0 1 285.387 3.404 20 10 CGCDMN COC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816509478 631998393 /nfs/dbraw/zinc/99/83/93/631998393.db2.gz RHINIZLZOCGFGJ-CQSZACIVSA-N 0 1 285.387 3.404 20 10 CGCDMN Cc1noc(C)c1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816547589 632007472 /nfs/dbraw/zinc/00/74/72/632007472.db2.gz BLKIJHYPKZZGHH-UHFFFAOYSA-N 0 1 296.370 3.483 20 10 CGCDMN [O-]c1c(C[NH2+]CCc2nccs2)ccc2ccccc21 ZINC000816544680 632007612 /nfs/dbraw/zinc/00/76/12/632007612.db2.gz PHSLQYRHQCQSHJ-UHFFFAOYSA-N 0 1 284.384 3.334 20 10 CGCDMN CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816560659 632012531 /nfs/dbraw/zinc/01/25/31/632012531.db2.gz WRNTUCUEUCLYAB-YOEHRIQHSA-N 0 1 285.387 3.450 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CN1CCc2ncsc2C1 ZINC000816586872 632017285 /nfs/dbraw/zinc/01/72/85/632017285.db2.gz WJBNOBKOQQIBOR-UHFFFAOYSA-N 0 1 298.770 3.200 20 10 CGCDMN CC[C@]1(C)CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816586453 632017884 /nfs/dbraw/zinc/01/78/84/632017884.db2.gz IGKKIUWFULMABI-CQSZACIVSA-N 0 1 287.762 3.186 20 10 CGCDMN CSCCC[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816599160 632021766 /nfs/dbraw/zinc/02/17/66/632021766.db2.gz FBHLZNLHVBNBBW-UHFFFAOYSA-N 0 1 277.792 3.370 20 10 CGCDMN CO[C@@H](C)C[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816609825 632022909 /nfs/dbraw/zinc/02/29/09/632022909.db2.gz NTUFUWXIIZITCT-LBPRGKRZSA-N 0 1 259.349 3.012 20 10 CGCDMN CO[C@@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816609825 632022916 /nfs/dbraw/zinc/02/29/16/632022916.db2.gz NTUFUWXIIZITCT-LBPRGKRZSA-N 0 1 259.349 3.012 20 10 CGCDMN CC[N@H+](Cc1ccc2ccccc2c1[O-])[C@@H]1CCOC1 ZINC000816616950 632025238 /nfs/dbraw/zinc/02/52/38/632025238.db2.gz KDRLDWPMRSJZGN-OAHLLOKOSA-N 0 1 271.360 3.156 20 10 CGCDMN CC[N@@H+](Cc1ccc2ccccc2c1[O-])[C@@H]1CCOC1 ZINC000816616950 632025245 /nfs/dbraw/zinc/02/52/45/632025245.db2.gz KDRLDWPMRSJZGN-OAHLLOKOSA-N 0 1 271.360 3.156 20 10 CGCDMN COc1cccc(O)c1CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000816621959 632026037 /nfs/dbraw/zinc/02/60/37/632026037.db2.gz SYKIHAWKTPYNPS-KRWDZBQOSA-N 0 1 298.386 3.379 20 10 CGCDMN Cc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc(C)n1 ZINC000817410338 632141556 /nfs/dbraw/zinc/14/15/56/632141556.db2.gz LIZZADQVCSFKGJ-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1O ZINC000817880836 632229540 /nfs/dbraw/zinc/22/95/40/632229540.db2.gz JREJPLNTUVQXTJ-MNOVXSKESA-N 0 1 297.782 3.039 20 10 CGCDMN COc1cccc(O)c1CN[C@@H]1C[C@]1(F)c1ccccc1 ZINC000818231086 632300505 /nfs/dbraw/zinc/30/05/05/632300505.db2.gz VCYXIKUFRFAGQU-SJORKVTESA-N 0 1 287.334 3.128 20 10 CGCDMN C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(Br)cc1[O-] ZINC000818356255 632313709 /nfs/dbraw/zinc/31/37/09/632313709.db2.gz MDLZEOHILQZMNO-UFBFGSQYSA-N 0 1 282.181 3.358 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H]2CCCCO2)cc1Cl ZINC000824610434 633264489 /nfs/dbraw/zinc/26/44/89/633264489.db2.gz MNELBTCLFUYANG-CYBMUJFWSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2CCCCO2)cc1Cl ZINC000824610434 633264494 /nfs/dbraw/zinc/26/44/94/633264494.db2.gz MNELBTCLFUYANG-CYBMUJFWSA-N 0 1 283.799 3.355 20 10 CGCDMN Cc1ccc(CN2CCO[C@@H](c3ccccc3)C2)c(O)c1 ZINC000876562410 634859196 /nfs/dbraw/zinc/85/91/96/634859196.db2.gz QCIBFGAKQOBRJD-GOSISDBHSA-N 0 1 283.371 3.274 20 10 CGCDMN CCC1(CO)CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824851257 633301253 /nfs/dbraw/zinc/30/12/53/633301253.db2.gz XHTBDKQSVKDBCD-UHFFFAOYSA-N 0 1 297.826 3.339 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000824914534 633304895 /nfs/dbraw/zinc/30/48/95/633304895.db2.gz UHRVQTNUHOKGPX-ZDUSSCGKSA-N 0 1 283.824 3.373 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000824914534 633304898 /nfs/dbraw/zinc/30/48/98/633304898.db2.gz UHRVQTNUHOKGPX-ZDUSSCGKSA-N 0 1 283.824 3.373 20 10 CGCDMN C[N@@H+](CCC1CC1)Cc1ccc(Br)cc1O ZINC000824939614 633308068 /nfs/dbraw/zinc/30/80/68/633308068.db2.gz YPRONAUUCDLRBV-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN C[N@H+](CCC1CC1)Cc1ccc(Br)cc1[O-] ZINC000824939614 633308071 /nfs/dbraw/zinc/30/80/71/633308071.db2.gz YPRONAUUCDLRBV-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN C[N@@H+](CCC1CC1)Cc1ccc(Br)cc1[O-] ZINC000824939614 633308076 /nfs/dbraw/zinc/30/80/76/633308076.db2.gz YPRONAUUCDLRBV-UHFFFAOYSA-N 0 1 284.197 3.387 20 10 CGCDMN Cc1cc(Cl)cc(CN[C@H]2C[C@@H](C)n3ccnc32)c1O ZINC000825017581 633318626 /nfs/dbraw/zinc/31/86/26/633318626.db2.gz VKQDDHOQCDKESR-MFKMUULPSA-N 0 1 291.782 3.346 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1Cl ZINC000825304009 633343487 /nfs/dbraw/zinc/34/34/87/633343487.db2.gz PJCIWKHEFALPEK-GLQYFDAESA-N 0 1 295.810 3.257 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)cc1Cl ZINC000825731037 633377897 /nfs/dbraw/zinc/37/78/97/633377897.db2.gz CIZDJWWHHKTRLA-OCCSQVGLSA-N 0 1 297.826 3.479 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)cc1Cl ZINC000825731037 633377900 /nfs/dbraw/zinc/37/79/00/633377900.db2.gz CIZDJWWHHKTRLA-OCCSQVGLSA-N 0 1 297.826 3.479 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000825774562 633381644 /nfs/dbraw/zinc/38/16/44/633381644.db2.gz YLMSKEOZJAZVSZ-DGCLKSJQSA-N 0 1 283.799 3.353 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000825774562 633381648 /nfs/dbraw/zinc/38/16/48/633381648.db2.gz YLMSKEOZJAZVSZ-DGCLKSJQSA-N 0 1 283.799 3.353 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1Cl ZINC000826011815 633397117 /nfs/dbraw/zinc/39/71/17/633397117.db2.gz IXOZUJCVGVDTDI-OAHLLOKOSA-N 0 1 295.810 3.233 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1Cl ZINC000826011815 633397121 /nfs/dbraw/zinc/39/71/21/633397121.db2.gz IXOZUJCVGVDTDI-OAHLLOKOSA-N 0 1 295.810 3.233 20 10 CGCDMN CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H](O)C(C)C ZINC000826121231 633406342 /nfs/dbraw/zinc/40/63/42/633406342.db2.gz NXBILHISRXSGFA-DZGCQCFKSA-N 0 1 285.815 3.239 20 10 CGCDMN CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000846184685 636155786 /nfs/dbraw/zinc/15/57/86/636155786.db2.gz QMDJQUDKTDGCEI-MISXGVKJSA-N 0 1 285.815 3.493 20 10 CGCDMN Cc1ccc([C@H](C)N[C@H]2CCn3ccnc32)c(O)c1C ZINC000834833272 634252098 /nfs/dbraw/zinc/25/20/98/634252098.db2.gz XMKQFIQETZMFKM-JSGCOSHPSA-N 0 1 271.364 3.001 20 10 CGCDMN CCN(C/C=C\c1ccc(N(C)C)cc1)Cc1cnn(C)c1 ZINC000835026761 634325448 /nfs/dbraw/zinc/32/54/48/634325448.db2.gz GUWNTYNHUAEGPU-SREVYHEPSA-N 0 1 298.434 3.021 20 10 CGCDMN CN(C)c1ccc(/C=C\CNCc2ccco2)cc1 ZINC000835034589 634327578 /nfs/dbraw/zinc/32/75/78/634327578.db2.gz WINHFKZMNHHQKB-HYXAFXHYSA-N 0 1 256.349 3.149 20 10 CGCDMN CC(C)[N@@H+](Cc1ccccn1)Cc1ccc(F)c(F)c1[O-] ZINC000876623952 634869669 /nfs/dbraw/zinc/86/96/69/634869669.db2.gz CPXZTUSSZGKNPV-UHFFFAOYSA-N 0 1 292.329 3.476 20 10 CGCDMN Cc1ncc(CN(C)Cc2c(C)cccc2O)s1 ZINC000876622732 634870069 /nfs/dbraw/zinc/87/00/69/634870069.db2.gz LJDUFPCHHPKHOB-UHFFFAOYSA-N 0 1 262.378 3.098 20 10 CGCDMN Cc1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c(O)c1 ZINC000877194695 635011618 /nfs/dbraw/zinc/01/16/18/635011618.db2.gz CHXZKUFMOWCPMJ-MRXNPFEDSA-N 0 1 282.387 3.160 20 10 CGCDMN CC[C@@H](C)c1nnc([C@H](C)NCc2ccc(C)cc2O)[nH]1 ZINC000877475544 635051260 /nfs/dbraw/zinc/05/12/60/635051260.db2.gz SKQUGYPYIVIQFV-NEPJUHHUSA-N 0 1 288.395 3.183 20 10 CGCDMN C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877486036 635056082 /nfs/dbraw/zinc/05/60/82/635056082.db2.gz CLPNSUHTKFRPHH-VXNVDRBHSA-N 0 1 295.251 3.443 20 10 CGCDMN COCC[C@H](C)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000840835736 635060927 /nfs/dbraw/zinc/06/09/27/635060927.db2.gz PDZOFLICKUYBID-GMXVVIOVSA-N 0 1 281.371 3.342 20 10 CGCDMN COc1ccc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)cn1 ZINC000840874533 635069965 /nfs/dbraw/zinc/06/99/65/635069965.db2.gz GMHUSMXMFNAZJW-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN Cc1cc(O)c(CNc2nccn2C2CC2)c(Cl)c1 ZINC000840887247 635075142 /nfs/dbraw/zinc/07/51/42/635075142.db2.gz UIQSTRIJNPMXGE-UHFFFAOYSA-N 0 1 277.755 3.498 20 10 CGCDMN CC[C@@H](CSC)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531506 635075244 /nfs/dbraw/zinc/07/52/44/635075244.db2.gz OCXQCVORILVNKG-JTQLQIEISA-N 0 1 275.364 3.244 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC2(CCO)CCCC2)c(Cl)c1 ZINC000840902268 635078760 /nfs/dbraw/zinc/07/87/60/635078760.db2.gz NDPNQLJPRAKQIS-UHFFFAOYSA-N 0 1 297.826 3.386 20 10 CGCDMN Cc1cc(N(C)C)ccc1CNCc1cnc(C2CC2)o1 ZINC000840951634 635090458 /nfs/dbraw/zinc/09/04/58/635090458.db2.gz CWWSZWCJZWGHRX-UHFFFAOYSA-N 0 1 285.391 3.216 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000840954968 635092583 /nfs/dbraw/zinc/09/25/83/635092583.db2.gz OCQSRJYNRANUSQ-CQSZACIVSA-N 0 1 281.783 3.047 20 10 CGCDMN COCC1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000840961613 635093991 /nfs/dbraw/zinc/09/39/91/635093991.db2.gz BYBZZYASKKQNCQ-UHFFFAOYSA-N 0 1 283.799 3.340 20 10 CGCDMN CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000877778892 635200737 /nfs/dbraw/zinc/20/07/37/635200737.db2.gz WAOMDAXPGNOYHT-SWLSCSKDSA-N 0 1 273.376 3.185 20 10 CGCDMN C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841752257 635225108 /nfs/dbraw/zinc/22/51/08/635225108.db2.gz RUYBNEQPWKMEON-PWSUYJOCSA-N 0 1 285.815 3.493 20 10 CGCDMN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753838 635227795 /nfs/dbraw/zinc/22/77/95/635227795.db2.gz WZOUTKXPLUZUIV-LPEHRKFASA-N 0 1 257.761 3.120 20 10 CGCDMN Cc1ccc(CN(C)Cc2ccccc2O)nc1Cl ZINC000878242327 635428699 /nfs/dbraw/zinc/42/86/99/635428699.db2.gz ORSHOBTXPHBAIG-UHFFFAOYSA-N 0 1 276.767 3.381 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCO[C@@H]1C ZINC000878565645 635558243 /nfs/dbraw/zinc/55/82/43/635558243.db2.gz NFTFLMNOUUXWSQ-CABCVRRESA-N 0 1 277.408 3.419 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@@H]1C ZINC000878565645 635558248 /nfs/dbraw/zinc/55/82/48/635558248.db2.gz NFTFLMNOUUXWSQ-CABCVRRESA-N 0 1 277.408 3.419 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCO[C@@H]1C ZINC000878565645 635558253 /nfs/dbraw/zinc/55/82/53/635558253.db2.gz NFTFLMNOUUXWSQ-CABCVRRESA-N 0 1 277.408 3.419 20 10 CGCDMN CC(C)O[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000843413440 635661140 /nfs/dbraw/zinc/66/11/40/635661140.db2.gz JJUUFULKITYMCZ-LLVKDONJSA-N 0 1 287.762 3.184 20 10 CGCDMN C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000105505011 635872917 /nfs/dbraw/zinc/87/29/17/635872917.db2.gz ZEIHHNBVRWFVSX-CABZTGNLSA-N 0 1 284.197 3.433 20 10 CGCDMN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1Cc1ccccc1O ZINC000846005231 636128319 /nfs/dbraw/zinc/12/83/19/636128319.db2.gz ABRKOUSVMJBCBF-TZMCWYRMSA-N 0 1 291.391 3.087 20 10 CGCDMN C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1c([O-])cccc1Cl ZINC000130485952 636463703 /nfs/dbraw/zinc/46/37/03/636463703.db2.gz KOENOYYCSCHJDE-YGRLFVJLSA-N 0 1 295.766 3.240 20 10 CGCDMN CC(C)c1c[nH]c(CN[C@@H](C)c2ccccc2O)n1 ZINC000883226495 636597572 /nfs/dbraw/zinc/59/75/72/636597572.db2.gz ZIMWHDNAQCZMRW-NSHDSACASA-N 0 1 259.353 3.090 20 10 CGCDMN CCOc1cccc(C[N@@H+](C)C[C@@H](C)CC)c1O ZINC000132094576 636781471 /nfs/dbraw/zinc/78/14/71/636781471.db2.gz BGOGWKUCFMZFIN-LBPRGKRZSA-N 0 1 251.370 3.269 20 10 CGCDMN C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000134915108 637050171 /nfs/dbraw/zinc/05/01/71/637050171.db2.gz OUWLHIHNLFHBQE-LPEHRKFASA-N 0 1 284.197 3.461 20 10 CGCDMN C[C@H](O)[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000850419138 637054013 /nfs/dbraw/zinc/05/40/13/637054013.db2.gz BVOVALDKPSINFT-ZBEGNZNMSA-N 0 1 291.778 3.257 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)C1(CO)CC1)c1cc(Cl)ccc1[O-] ZINC000850515640 637099302 /nfs/dbraw/zinc/09/93/02/637099302.db2.gz MRNJDPZWCRRPFY-MFKMUULPSA-N 0 1 283.799 3.247 20 10 CGCDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@@]12CCOC2 ZINC000886192453 637453873 /nfs/dbraw/zinc/45/38/73/637453873.db2.gz XBFGJQJYIPGOIP-SJLPKXTDSA-N 0 1 289.419 3.421 20 10 CGCDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@@]12CCOC2 ZINC000886192453 637453881 /nfs/dbraw/zinc/45/38/81/637453881.db2.gz XBFGJQJYIPGOIP-SJLPKXTDSA-N 0 1 289.419 3.421 20 10 CGCDMN c1cnc2c(c1)CC[C@H]2NCc1ccc(N2CCCC2)cc1 ZINC000886503019 637542957 /nfs/dbraw/zinc/54/29/57/637542957.db2.gz YDAQDLLJJSNJPJ-GOSISDBHSA-N 0 1 293.414 3.459 20 10 CGCDMN CCn1nccc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000853239270 637791516 /nfs/dbraw/zinc/79/15/16/637791516.db2.gz DCRTWIIYZMYFPZ-SNVBAGLBSA-N 0 1 279.771 3.113 20 10 CGCDMN C/C=C\CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000858886537 639037115 /nfs/dbraw/zinc/03/71/15/639037115.db2.gz WYYKIAAWJGXNSL-IHWYPQMZSA-N 0 1 289.162 3.074 20 10 CGCDMN Cc1cc(CN2CCO[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000192595977 640390319 /nfs/dbraw/zinc/39/03/19/640390319.db2.gz KHSRJVFNENNROT-ZDUSSCGKSA-N 0 1 277.408 3.219 20 10 CGCDMN CCOC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093419148 640770876 /nfs/dbraw/zinc/77/08/76/640770876.db2.gz BITTVCJVRGXHPA-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN CCOC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093419148 640770884 /nfs/dbraw/zinc/77/08/84/640770884.db2.gz BITTVCJVRGXHPA-LBPRGKRZSA-N 0 1 283.799 3.294 20 10 CGCDMN CC1(C)[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000093661064 640778775 /nfs/dbraw/zinc/77/87/75/640778775.db2.gz UXHHZQBGPNDSCI-TXEJJXNPSA-N 0 1 251.757 3.133 20 10 CGCDMN CC1(C)[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000093661064 640778781 /nfs/dbraw/zinc/77/87/81/640778781.db2.gz UXHHZQBGPNDSCI-TXEJJXNPSA-N 0 1 251.757 3.133 20 10 CGCDMN C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1c([O-])cccc1Cl ZINC000113335955 640977053 /nfs/dbraw/zinc/97/70/53/640977053.db2.gz SHCTWOXGHDJALA-NSHDSACASA-N 0 1 291.778 3.472 20 10 CGCDMN Cc1cnc(NCc2cc3ccccc3cc2O)c(N)c1 ZINC001160205935 806235593 /nfs/dbraw/zinc/23/55/93/806235593.db2.gz CZDYRHYPUUSFBH-UHFFFAOYSA-N 0 1 279.343 3.443 20 10 CGCDMN C[N@@H+](CCC(F)(F)F)Cc1cccc(Cl)c1[O-] ZINC000124572392 798997953 /nfs/dbraw/zinc/99/79/53/798997953.db2.gz UZCUGWBRNJQASK-UHFFFAOYSA-N 0 1 267.678 3.430 20 10 CGCDMN Cc1ccnc(CNCc2ccc(N3CCCC3)cc2)c1 ZINC000328232164 799250584 /nfs/dbraw/zinc/25/05/84/799250584.db2.gz DOFGQQAAGVQTKL-UHFFFAOYSA-N 0 1 281.403 3.280 20 10 CGCDMN CCC[N@@H+](Cc1ccc(OC)cc1[O-])CC(C)C ZINC000381431672 799380352 /nfs/dbraw/zinc/38/03/52/799380352.db2.gz HFIJJXBGMVQZEV-UHFFFAOYSA-N 0 1 251.370 3.269 20 10 CGCDMN CCC[N@H+](Cc1ccc(OC)cc1[O-])CC(C)C ZINC000381431672 799380358 /nfs/dbraw/zinc/38/03/58/799380358.db2.gz HFIJJXBGMVQZEV-UHFFFAOYSA-N 0 1 251.370 3.269 20 10 CGCDMN C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc2ccccc2c1[O-] ZINC000393971384 799491966 /nfs/dbraw/zinc/49/19/66/799491966.db2.gz MTSDLHLLAXUCDM-RYUDHWBXSA-N 0 1 273.376 3.355 20 10 CGCDMN Cc1cc(C)c(C[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000397483363 799516724 /nfs/dbraw/zinc/51/67/24/799516724.db2.gz GVXJDKHYEMGAAP-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)CO1 ZINC000403842042 799572305 /nfs/dbraw/zinc/57/23/05/799572305.db2.gz SXYUNYLITCSPSW-CMPLNLGQSA-N 0 1 269.772 3.045 20 10 CGCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)CC(F)F ZINC000697720288 799848608 /nfs/dbraw/zinc/84/86/08/799848608.db2.gz UQHARPXYLSSOQF-MRVPVSSYSA-N 0 1 263.715 3.427 20 10 CGCDMN CCOC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703489606 799924047 /nfs/dbraw/zinc/92/40/47/799924047.db2.gz GQVULSLCWAVOQX-GFCCVEGCSA-N 0 1 285.334 3.061 20 10 CGCDMN C[C@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706853875 799967541 /nfs/dbraw/zinc/96/75/41/799967541.db2.gz GWTSTXHZQSWLHJ-UWVGGRQHSA-N 0 1 284.197 3.433 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711427911 800057690 /nfs/dbraw/zinc/05/76/90/800057690.db2.gz QRWPEEXQCDVYQE-CYBMUJFWSA-N 0 1 281.783 3.237 20 10 CGCDMN C[N@@H+](CCCF)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000716640053 800177532 /nfs/dbraw/zinc/17/75/32/800177532.db2.gz QYCHXPHLAUTGDK-UHFFFAOYSA-N 0 1 266.143 3.490 20 10 CGCDMN Oc1cccc2c1[C@@H](NCc1ncc(Cl)s1)CC2 ZINC000719394961 800238057 /nfs/dbraw/zinc/23/80/57/800238057.db2.gz MKRUOKAFZJAEHV-VIFPVBQESA-N 0 1 280.780 3.279 20 10 CGCDMN C[C@H](NCc1ncc(Cl)s1)c1ccccc1O ZINC000719402180 800238369 /nfs/dbraw/zinc/23/83/69/800238369.db2.gz LQMQEIUCIOIJJR-QMMMGPOBSA-N 0 1 268.769 3.353 20 10 CGCDMN Cc1nc(CNCc2ccc(N(C)C)cc2)sc1C ZINC000719558454 800241861 /nfs/dbraw/zinc/24/18/61/800241861.db2.gz YCKAWFROUAMXCZ-UHFFFAOYSA-N 0 1 275.421 3.116 20 10 CGCDMN Cc1cc(CN2CCCc3cc(OC(F)F)ccc32)n[nH]1 ZINC001116583266 802382834 /nfs/dbraw/zinc/38/28/34/802382834.db2.gz GHAUXBRTJQXWFZ-UHFFFAOYSA-N 0 1 293.317 3.272 20 10 CGCDMN Cc1ccc(F)c(CN(C)Cc2ccc(N)cc2)c1 ZINC001120370950 802742811 /nfs/dbraw/zinc/74/28/11/802742811.db2.gz KTPQTMSGRSETMP-UHFFFAOYSA-N 0 1 258.340 3.348 20 10 CGCDMN [O-]c1c(F)cccc1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001138130925 803866069 /nfs/dbraw/zinc/86/60/69/803866069.db2.gz LMFPWUNFRZSUJN-UHFFFAOYSA-N 0 1 279.355 3.065 20 10 CGCDMN Cc1c(CN2C[C@@H](C)O[C@@H](C)C2)c2ccccc2n1C ZINC001138252637 803880080 /nfs/dbraw/zinc/88/00/80/803880080.db2.gz OBFARAXJEFDAQR-BETUJISGSA-N 0 1 272.392 3.096 20 10 CGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001139684092 804252774 /nfs/dbraw/zinc/25/27/74/804252774.db2.gz QNZLIRJRFVLECY-HZMBPMFUSA-N 0 1 267.319 3.435 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001140466081 804443194 /nfs/dbraw/zinc/44/31/94/804443194.db2.gz WNTLPGLUCMZVJP-CYBMUJFWSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001140466081 804443200 /nfs/dbraw/zinc/44/32/00/804443200.db2.gz WNTLPGLUCMZVJP-CYBMUJFWSA-N 0 1 295.810 3.294 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(n2cccn2)CC1 ZINC001140465380 804444261 /nfs/dbraw/zinc/44/42/61/804444261.db2.gz LAYJLLJEMARYES-UHFFFAOYSA-N 0 1 291.782 3.079 20 10 CGCDMN CC[N@@H+](Cc1ccccc1O)Cc1ccc(O)c(C)c1O ZINC001140747476 804504754 /nfs/dbraw/zinc/50/47/54/804504754.db2.gz BAHRBWUWCSAZHJ-UHFFFAOYSA-N 0 1 287.359 3.134 20 10 CGCDMN Cc1ccc(CN(C)Cc2ccccc2O)c(F)c1 ZINC001141195105 804608517 /nfs/dbraw/zinc/60/85/17/804608517.db2.gz AKIMJYFPTQTRJJ-UHFFFAOYSA-N 0 1 259.324 3.472 20 10 CGCDMN COc1cccc(CN2CCc3cccc(O)c3C2)c1F ZINC001141222793 804612509 /nfs/dbraw/zinc/61/25/09/804612509.db2.gz REQRIIQUULPGGY-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN C[C@@]1(F)CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142509016 804727359 /nfs/dbraw/zinc/72/73/59/804727359.db2.gz TUQAYRKSFVMZPU-CQSZACIVSA-N 0 1 273.298 3.385 20 10 CGCDMN CN[C@@H](C)c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001247489496 804748248 /nfs/dbraw/zinc/74/82/48/804748248.db2.gz ARWXWYBQLHFAEX-ZDUSSCGKSA-N 0 1 296.374 3.425 20 10 CGCDMN CCOc1cc(CN(C)Cc2ccc(N(C)C)cc2)ccn1 ZINC001250013602 805367438 /nfs/dbraw/zinc/36/74/38/805367438.db2.gz GCIDQQOFBUVRKK-UHFFFAOYSA-N 0 1 299.418 3.178 20 10 CGCDMN Cc1ccc(C)n1-c1ccc(-n2c(C)cnc2CN)cc1 ZINC001169028140 807554016 /nfs/dbraw/zinc/55/40/16/807554016.db2.gz JKBJWSRKWOBYJY-UHFFFAOYSA-N 0 1 280.375 3.047 20 10 CGCDMN CC[C@H](C[C@@H](C)CC)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001258781856 807608611 /nfs/dbraw/zinc/60/86/11/807608611.db2.gz GQWNFZHUEJQBEL-WCQYABFASA-N 0 1 279.380 3.085 20 10 CGCDMN Cc1ccc2[nH]ncc2c1N(C)c1ccc(N)cc1 ZINC001175527382 809445616 /nfs/dbraw/zinc/44/56/16/809445616.db2.gz KKZXVFIYEQRICP-UHFFFAOYSA-N 0 1 252.321 3.221 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)C2(C)CC2)c1[O-] ZINC001176767668 809758615 /nfs/dbraw/zinc/75/86/15/809758615.db2.gz PYBOEYHJSGHJDP-SNVBAGLBSA-N 0 1 265.328 3.012 20 10 CGCDMN CC[C@H](NCc1cc(F)cc(F)c1O)C(F)(F)F ZINC001178518947 809874125 /nfs/dbraw/zinc/87/41/25/809874125.db2.gz FVWATGLWEHVSDE-VIFPVBQESA-N 0 1 269.213 3.101 20 10 CGCDMN C[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1ccns1 ZINC001183196438 810139583 /nfs/dbraw/zinc/13/95/83/810139583.db2.gz BPLBONGKLWALTM-MRVPVSSYSA-N 0 1 268.769 3.353 20 10 CGCDMN COc1ccc(N2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC001203315006 812308113 /nfs/dbraw/zinc/30/81/13/812308113.db2.gz CDRRGBOIQWHZQF-UHFFFAOYSA-N 0 1 296.414 3.326 20 10 CGCDMN C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CCC[C@]1(C)O ZINC001203650841 812415046 /nfs/dbraw/zinc/41/50/46/812415046.db2.gz FIHJXGXSJFROIO-NHYWBVRUSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CCC[C@]1(C)O ZINC001203650841 812415051 /nfs/dbraw/zinc/41/50/51/812415051.db2.gz FIHJXGXSJFROIO-NHYWBVRUSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 ZINC001203880525 812478468 /nfs/dbraw/zinc/47/84/68/812478468.db2.gz UZGZXRMFIUXJFS-LBPRGKRZSA-N 0 1 269.344 3.045 20 10 CGCDMN Cc1ccccc1O[C@H]1CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203878662 812478714 /nfs/dbraw/zinc/47/87/14/812478714.db2.gz 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/nfs/dbraw/zinc/07/31/22/814073122.db2.gz OWWBBWVNOWCABT-UHFFFAOYSA-N 0 1 284.403 3.315 20 10 CGCDMN CC(C)OC1CN(Cc2c(O)ccc3ccccc32)C1 ZINC001231590530 818131722 /nfs/dbraw/zinc/13/17/22/818131722.db2.gz GUKLIVRBMWQRRC-UHFFFAOYSA-N 0 1 271.360 3.155 20 10 CGCDMN CCOc1ncccc1CN(CC)Cc1ccccc1O ZINC001231765717 818171279 /nfs/dbraw/zinc/17/12/79/818171279.db2.gz GIPKDPKAKZVXFI-UHFFFAOYSA-N 0 1 286.375 3.208 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CC[C@@]3(CCCO3)C2)cc1Cl ZINC001231866737 818192457 /nfs/dbraw/zinc/19/24/57/818192457.db2.gz CLECOBNIHCJXFY-HNNXBMFYSA-N 0 1 281.783 3.109 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCCO3)C2)cc1Cl ZINC001231866737 818192459 /nfs/dbraw/zinc/19/24/59/818192459.db2.gz CLECOBNIHCJXFY-HNNXBMFYSA-N 0 1 281.783 3.109 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(CCCO3)C2)cc1Cl ZINC001231866737 818192464 /nfs/dbraw/zinc/19/24/64/818192464.db2.gz CLECOBNIHCJXFY-HNNXBMFYSA-N 0 1 281.783 3.109 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@](C)(O)C2)cc1Cl ZINC001231869806 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C[C@@]1(F)CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1F ZINC001231911029 818209381 /nfs/dbraw/zinc/20/93/81/818209381.db2.gz ZCXOTMQOHLGFGO-WCQYABFASA-N 0 1 275.726 3.318 20 10 CGCDMN Oc1c(Cl)cccc1CN1CC(F)(F)C[C@H]1CF ZINC001231910664 818209720 /nfs/dbraw/zinc/20/97/20/818209720.db2.gz PWTYHRFHBAKPSB-VIFPVBQESA-N 0 1 279.689 3.225 20 10 CGCDMN Cc1cnc2c(c1)C[N@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC001231915107 818212211 /nfs/dbraw/zinc/21/22/11/818212211.db2.gz YXIWKLNQHLDPJW-UHFFFAOYSA-N 0 1 288.778 3.307 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCCOC(C)(C)C2)cc1Cl ZINC001232269928 818299832 /nfs/dbraw/zinc/29/98/32/818299832.db2.gz NYUYGBYSFIBRPO-UHFFFAOYSA-N 0 1 299.798 3.055 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCCOC(C)(C)C2)cc1Cl ZINC001232269928 818299837 /nfs/dbraw/zinc/29/98/37/818299837.db2.gz NYUYGBYSFIBRPO-UHFFFAOYSA-N 0 1 299.798 3.055 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](OC)CC2)cc1Cl ZINC001232270058 818300593 /nfs/dbraw/zinc/30/05/93/818300593.db2.gz RIZPKLJIHQISIL-LBPRGKRZSA-N 0 1 299.798 3.055 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](OC)CC2)cc1Cl ZINC001232270058 818300603 /nfs/dbraw/zinc/30/06/03/818300603.db2.gz RIZPKLJIHQISIL-LBPRGKRZSA-N 0 1 299.798 3.055 20 10 CGCDMN CN(Cc1ccno1)Cc1cc(C(C)(C)C)ccc1O ZINC001233286686 818567293 /nfs/dbraw/zinc/56/72/93/818567293.db2.gz FNQSJFYCTONJGD-UHFFFAOYSA-N 0 1 274.364 3.310 20 10 CGCDMN COCC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc(F)c1F ZINC001233334762 818585449 /nfs/dbraw/zinc/58/54/49/818585449.db2.gz SHUREIPALSDHPE-LLVKDONJSA-N 0 1 285.334 3.061 20 10 CGCDMN C[C@@]1(F)CCC[N@@H+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233332358 818586391 /nfs/dbraw/zinc/58/63/91/818586391.db2.gz IKFOUBZPVBPBHG-CQSZACIVSA-N 0 1 273.298 3.385 20 10 CGCDMN Oc1cc(C(F)(F)F)ccc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001233452504 818622973 /nfs/dbraw/zinc/62/29/73/818622973.db2.gz YZXWDCXQOXLAEM-ZMLRMANQSA-N 0 1 289.272 3.201 20 10 CGCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC2(CC2)C1 ZINC001233452399 818623096 /nfs/dbraw/zinc/62/30/96/818623096.db2.gz 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Cc1ccc([C@H](C)NCc2nnc(C(C)C)[nH]2)c(O)c1C ZINC000296266786 328290000 /nfs/dbraw/zinc/29/00/00/328290000.db2.gz DLSZBRDTDFMOCV-LBPRGKRZSA-N 0 1 288.395 3.101 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCSC1 ZINC000278523588 521689865 /nfs/dbraw/zinc/68/98/65/521689865.db2.gz YNBAHLFBXKXXMX-ZDUSSCGKSA-N 0 1 265.422 3.357 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCSC1 ZINC000278523588 521689868 /nfs/dbraw/zinc/68/98/68/521689868.db2.gz YNBAHLFBXKXXMX-ZDUSSCGKSA-N 0 1 265.422 3.357 20 10 CGCDMN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)c2ccccc2O)[nH]1 ZINC000277110054 522053280 /nfs/dbraw/zinc/05/32/80/522053280.db2.gz HVQIUUGSNREDMH-SDDRHHMPSA-N 0 1 288.395 3.436 20 10 CGCDMN CN(C)c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000083551541 522209650 /nfs/dbraw/zinc/20/96/50/522209650.db2.gz DVWNHJBPHUVDPD-UHFFFAOYSA-N 0 1 290.794 3.401 20 10 CGCDMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000290568527 523187631 /nfs/dbraw/zinc/18/76/31/523187631.db2.gz 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/nfs/dbraw/zinc/68/21/17/617682117.db2.gz DIDGWUMNYYKNQR-VIFPVBQESA-N 0 1 272.186 3.290 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(O)c(F)c1 ZINC000120477851 617698052 /nfs/dbraw/zinc/69/80/52/617698052.db2.gz UZERZQURUZUGSZ-UHFFFAOYSA-N 0 1 281.714 3.180 20 10 CGCDMN COc1cc(CN(C)Cc2ccccc2F)c(O)cc1C ZINC000179433391 618783671 /nfs/dbraw/zinc/78/36/71/618783671.db2.gz XHDKZWQTNICXHD-UHFFFAOYSA-N 0 1 289.350 3.480 20 10 CGCDMN CC[N@@H+](Cc1c(O)cccc1OC)C1CC(C)(C)C1 ZINC000840970674 619297100 /nfs/dbraw/zinc/29/71/00/619297100.db2.gz CIQDLLOQALVDHA-UHFFFAOYSA-N 0 1 263.381 3.411 20 10 CGCDMN Oc1c(F)cc(F)cc1CN1CC=C(C(F)(F)F)CC1 ZINC000894050424 619359442 /nfs/dbraw/zinc/35/94/42/619359442.db2.gz PKOGJPXAGWXJLJ-UHFFFAOYSA-N 0 1 293.235 3.365 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CCC1(F)F ZINC000894789834 619632192 /nfs/dbraw/zinc/63/21/92/619632192.db2.gz KRLUYVQMZSHMJP-MRVPVSSYSA-N 0 1 277.261 3.148 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC000895543951 619846160 /nfs/dbraw/zinc/84/61/60/619846160.db2.gz HOOFQLQAQDEXSF-SECBINFHSA-N 0 1 275.726 3.366 20 10 CGCDMN Cc1cccc(O)c1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000895583853 619854454 /nfs/dbraw/zinc/85/44/54/619854454.db2.gz ZDHOEGRMSOBXQM-LBPRGKRZSA-N 0 1 274.389 3.147 20 10 CGCDMN Oc1cccc2c1CN(Cc1ccc3c(c1)CCCO3)C2 ZINC000895784486 619885498 /nfs/dbraw/zinc/88/54/98/619885498.db2.gz HWFWIQOLAOIOMJ-UHFFFAOYSA-N 0 1 281.355 3.233 20 10 CGCDMN CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185615547 625397186 /nfs/dbraw/zinc/39/71/86/625397186.db2.gz JHYKVZYRFQHLGY-CHWSQXEVSA-N 0 1 283.387 3.227 20 10 CGCDMN Cc1nc(CC[NH2+]Cc2cc(Cl)ccc2[O-])cs1 ZINC000227436631 620285521 /nfs/dbraw/zinc/28/55/21/620285521.db2.gz VTEMNXDEGAMMOF-UHFFFAOYSA-N 0 1 282.796 3.143 20 10 CGCDMN CO[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000841759555 620406073 /nfs/dbraw/zinc/40/60/73/620406073.db2.gz ZTZLCDHFRGOQBM-OTYXRUKQSA-N 0 1 269.772 3.121 20 10 CGCDMN CCC[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163751199 622800313 /nfs/dbraw/zinc/80/03/13/622800313.db2.gz YURBTFBQDMKJDU-SECBINFHSA-N 0 1 272.186 3.433 20 10 CGCDMN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H](C)C1 ZINC000226609220 622986623 /nfs/dbraw/zinc/98/66/23/622986623.db2.gz HCIGBXYYUCDEAD-UHIISALHSA-N 0 1 251.345 3.446 20 10 CGCDMN CC[C@@H](CCO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168795043 623015791 /nfs/dbraw/zinc/01/57/91/623015791.db2.gz DZFTWMOQTNULBP-OCCSQVGLSA-N 0 1 273.376 3.357 20 10 CGCDMN CC[C@@H]([NH2+]C[C@@H](N)CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000817979567 625632700 /nfs/dbraw/zinc/63/27/00/625632700.db2.gz LWTVXWAKNVBQKD-JOYOIKCWSA-N 0 1 291.222 3.477 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1Cl ZINC000827506324 623464338 /nfs/dbraw/zinc/46/43/38/623464338.db2.gz GPQPMNIUZONUGW-QWRGUYRKSA-N 0 1 251.757 3.196 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1Cl ZINC000827506324 623464360 /nfs/dbraw/zinc/46/43/60/623464360.db2.gz GPQPMNIUZONUGW-QWRGUYRKSA-N 0 1 251.757 3.196 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000917473275 624272796 /nfs/dbraw/zinc/27/27/96/624272796.db2.gz OFWZWDHAMLMIGY-AEFFLSMTSA-N 0 1 298.386 3.084 20 10 CGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000917473275 624272798 /nfs/dbraw/zinc/27/27/98/624272798.db2.gz OFWZWDHAMLMIGY-AEFFLSMTSA-N 0 1 298.386 3.084 20 10 CGCDMN C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc2ccccc2c1[O-] ZINC000019963533 634440993 /nfs/dbraw/zinc/44/09/93/634440993.db2.gz IATSAEKYGZDSDR-JSGCOSHPSA-N 0 1 271.360 3.375 20 10 CGCDMN CCn1cc([C@H](C)NCc2ccc3c(c2)CCCO3)cn1 ZINC000922169007 625978691 /nfs/dbraw/zinc/97/86/91/625978691.db2.gz QHCRYTMVIFEYKF-ZDUSSCGKSA-N 0 1 285.391 3.079 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000753576828 626456174 /nfs/dbraw/zinc/45/61/74/626456174.db2.gz UDYZKTAEHNHGKL-ZDUSSCGKSA-N 0 1 295.810 3.294 20 10 CGCDMN C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000756417108 626703858 /nfs/dbraw/zinc/70/38/58/626703858.db2.gz PKFDJNFKTNLUFP-OLZOCXBDSA-N 0 1 296.842 3.428 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCOC2)c2c1c(F)ccc2[O-] ZINC000756573558 626717153 /nfs/dbraw/zinc/71/71/53/626717153.db2.gz KUZLAJJNLBNZOI-SIVJFFJCSA-N 0 1 279.355 3.096 20 10 CGCDMN CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756576801 626717360 /nfs/dbraw/zinc/71/73/60/626717360.db2.gz PARDEROACAMPFW-FIXISWKDSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000756775359 626731330 /nfs/dbraw/zinc/73/13/30/626731330.db2.gz HDUYVLURPCDCME-CBAPKCEASA-N 0 1 297.704 3.010 20 10 CGCDMN CC[C@H]1COCCN1Cc1ccc(N(CC)CC)cc1 ZINC000768882156 627505804 /nfs/dbraw/zinc/50/58/04/627505804.db2.gz RJQUUMYJKNQYHK-INIZCTEOSA-N 0 1 276.424 3.144 20 10 CGCDMN CN(C)c1ccc(CN2CCc3c(F)cccc3C2)cc1 ZINC000769387748 627547920 /nfs/dbraw/zinc/54/79/20/627547920.db2.gz NHPVALGRDOLCAU-UHFFFAOYSA-N 0 1 284.378 3.450 20 10 CGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000769515430 627561728 /nfs/dbraw/zinc/56/17/28/627561728.db2.gz QEIPCYPJBVGMMZ-SNVBAGLBSA-N 0 1 296.754 3.186 20 10 CGCDMN CC(C)CO[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000770325396 627613692 /nfs/dbraw/zinc/61/36/92/627613692.db2.gz HOEQBDIADXYRRJ-LBPRGKRZSA-N 0 1 283.799 3.293 20 10 CGCDMN CC(C)CO[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000770325396 627613695 /nfs/dbraw/zinc/61/36/95/627613695.db2.gz HOEQBDIADXYRRJ-LBPRGKRZSA-N 0 1 283.799 3.293 20 10 CGCDMN CC(C)CO[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000770325396 627613699 /nfs/dbraw/zinc/61/36/99/627613699.db2.gz HOEQBDIADXYRRJ-LBPRGKRZSA-N 0 1 283.799 3.293 20 10 CGCDMN CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000771893750 627741783 /nfs/dbraw/zinc/74/17/83/627741783.db2.gz QLWCQPIJPCZRJX-HIFRSBDPSA-N 0 1 283.799 3.339 20 10 CGCDMN CCN(C)c1ccc(CN2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000773831894 627917779 /nfs/dbraw/zinc/91/77/79/627917779.db2.gz JYWKYTRGKRKJME-CJNGLKHVSA-N 0 1 264.388 3.323 20 10 CGCDMN CC[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000775483136 628098899 /nfs/dbraw/zinc/09/88/99/628098899.db2.gz MERWAXVOHLZMBV-DGCLKSJQSA-N 0 1 269.772 3.265 20 10 CGCDMN CC[C@@H]([NH2+]CC(C)(C)N(C)C)c1cc(Cl)ccc1[O-] ZINC000775482904 628099090 /nfs/dbraw/zinc/09/90/90/628099090.db2.gz GHBZJJZMMZVMGC-CYBMUJFWSA-N 0 1 284.831 3.427 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])C(C)(C)CO1 ZINC000775702574 628127550 /nfs/dbraw/zinc/12/75/50/628127550.db2.gz BIUFTMDZHNDKGV-UHFFFAOYSA-N 0 1 283.799 3.435 20 10 CGCDMN COc1ccc(O)c(CN2CC[C@@H]2c2cccc(F)c2)c1 ZINC000775723578 628129265 /nfs/dbraw/zinc/12/92/65/628129265.db2.gz BNSHXBYPMJCTRF-MRXNPFEDSA-N 0 1 287.334 3.487 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](CO)C(C)(C)C ZINC000775734411 628130137 /nfs/dbraw/zinc/13/01/37/628130137.db2.gz OSBJFCAPSKIBRQ-LBPRGKRZSA-N 0 1 289.778 3.024 20 10 CGCDMN CC(C)[C@@H]1CC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000775765090 628134264 /nfs/dbraw/zinc/13/42/64/628134264.db2.gz NFIONKGWRYWJNX-LBPRGKRZSA-N 0 1 284.197 3.385 20 10 CGCDMN CC(C)[C@@H]1CC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000775765090 628134267 /nfs/dbraw/zinc/13/42/67/628134267.db2.gz NFIONKGWRYWJNX-LBPRGKRZSA-N 0 1 284.197 3.385 20 10 CGCDMN CCC(CC)(C[NH2+]Cc1c([O-])cccc1Cl)C(=O)OC ZINC000779608132 628417730 /nfs/dbraw/zinc/41/77/30/628417730.db2.gz ILIFCFPBITUXMW-UHFFFAOYSA-N 0 1 299.798 3.115 20 10 CGCDMN C[C@H](C1CC1)[N@H+](C)Cc1c([O-])cccc1Br ZINC000862224080 629326331 /nfs/dbraw/zinc/32/63/31/629326331.db2.gz HSEIBMFPMPHHNX-SECBINFHSA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@H](C1CC1)[N@@H+](C)Cc1c([O-])cccc1Br ZINC000862224080 629326333 /nfs/dbraw/zinc/32/63/33/629326333.db2.gz HSEIBMFPMPHHNX-SECBINFHSA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1C ZINC000792171096 629343436 /nfs/dbraw/zinc/34/34/36/629343436.db2.gz YCYTUOKUXQFPCZ-IUCAKERBSA-N 0 1 257.736 3.415 20 10 CGCDMN CC[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@@H]1CCCO1 ZINC000792167452 629343676 /nfs/dbraw/zinc/34/36/76/629343676.db2.gz TVPDMEOAYRSTEB-JTQLQIEISA-N 0 1 287.762 3.186 20 10 CGCDMN CC(C)(C)C[N@@H+](CCO)Cc1c([O-])ccc(Cl)c1F ZINC000792167860 629344128 /nfs/dbraw/zinc/34/41/28/629344128.db2.gz SPGPNWJJWAKSTG-UHFFFAOYSA-N 0 1 289.778 3.025 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H](C2CC2)O1 ZINC000793215421 629429467 /nfs/dbraw/zinc/42/94/67/629429467.db2.gz UPICVBBLXBHWSO-YMTOWFKASA-N 0 1 299.773 3.184 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H](C2CC2)O1 ZINC000793215421 629429480 /nfs/dbraw/zinc/42/94/80/629429480.db2.gz UPICVBBLXBHWSO-YMTOWFKASA-N 0 1 299.773 3.184 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H](C2CC2)O1 ZINC000793215421 629429487 /nfs/dbraw/zinc/42/94/87/629429487.db2.gz UPICVBBLXBHWSO-YMTOWFKASA-N 0 1 299.773 3.184 20 10 CGCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC(C3CC3)CC2)c1[O-] ZINC000794893718 629595456 /nfs/dbraw/zinc/59/54/56/629595456.db2.gz ATOHJSCWPJZQKC-UHFFFAOYSA-N 0 1 291.366 3.356 20 10 CGCDMN CC(C)=CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807833802 630599933 /nfs/dbraw/zinc/59/99/33/630599933.db2.gz FOOCLHKZODYTOG-UHFFFAOYSA-N 0 1 274.147 3.281 20 10 CGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccnc1 ZINC000807836981 630600451 /nfs/dbraw/zinc/60/04/51/630600451.db2.gz WMVGANYYEQQGAP-UHFFFAOYSA-N 0 1 297.141 3.024 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN[C@H]1CCCC1(F)F ZINC000809780322 630804799 /nfs/dbraw/zinc/80/47/99/630804799.db2.gz UPWLBGCJDWLQER-JTQLQIEISA-N 0 1 279.689 3.462 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCC1(F)F ZINC000809780322 630804804 /nfs/dbraw/zinc/80/48/04/630804804.db2.gz UPWLBGCJDWLQER-JTQLQIEISA-N 0 1 279.689 3.462 20 10 CGCDMN Oc1c(F)cc(Cl)cc1CN[C@@H]1CCCC1(F)F ZINC000809780323 630805438 /nfs/dbraw/zinc/80/54/38/630805438.db2.gz UPWLBGCJDWLQER-SNVBAGLBSA-N 0 1 279.689 3.462 20 10 CGCDMN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCC1(F)F ZINC000809780323 630805442 /nfs/dbraw/zinc/80/54/42/630805442.db2.gz UPWLBGCJDWLQER-SNVBAGLBSA-N 0 1 279.689 3.462 20 10 CGCDMN CC1(C)C[N@H+](Cc2cc(Cl)ccc2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000811510324 631078374 /nfs/dbraw/zinc/07/83/74/631078374.db2.gz CENWMUDWTHOCQU-LSDHHAIUSA-N 0 1 295.810 3.435 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cc(Cl)ccc2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000811510324 631078379 /nfs/dbraw/zinc/07/83/79/631078379.db2.gz CENWMUDWTHOCQU-LSDHHAIUSA-N 0 1 295.810 3.435 20 10 CGCDMN COc1ccccc1C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876532642 634852057 /nfs/dbraw/zinc/85/20/57/634852057.db2.gz KDTNDZZVYJGSSX-UHFFFAOYSA-N 0 1 293.313 3.311 20 10 CGCDMN CCN(C)c1ccc(CN2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000815102915 631717688 /nfs/dbraw/zinc/71/76/88/631717688.db2.gz MLNREDMMBDPQQA-QGZVFWFLSA-N 0 1 290.451 3.390 20 10 CGCDMN CC(C)(C)C[N@H+](CCO)Cc1ccc2ccccc2c1[O-] ZINC000816504752 631995834 /nfs/dbraw/zinc/99/58/34/631995834.db2.gz APVVJWUYZLDECR-UHFFFAOYSA-N 0 1 287.403 3.386 20 10 CGCDMN CC(C)(C)C[N@@H+](CCO)Cc1ccc2ccccc2c1[O-] ZINC000816504752 631995836 /nfs/dbraw/zinc/99/58/36/631995836.db2.gz APVVJWUYZLDECR-UHFFFAOYSA-N 0 1 287.403 3.386 20 10 CGCDMN C[C@@H]1COCCC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816514045 631999123 /nfs/dbraw/zinc/99/91/23/631999123.db2.gz KQJFQDLTYMZTDM-CYBMUJFWSA-N 0 1 271.360 3.156 20 10 CGCDMN C[C@@H]1COCCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816514045 631999135 /nfs/dbraw/zinc/99/91/35/631999135.db2.gz KQJFQDLTYMZTDM-CYBMUJFWSA-N 0 1 271.360 3.156 20 10 CGCDMN C[C@@H]1COCCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000816514045 631999142 /nfs/dbraw/zinc/99/91/42/631999142.db2.gz KQJFQDLTYMZTDM-CYBMUJFWSA-N 0 1 271.360 3.156 20 10 CGCDMN CCOC[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816518616 632001981 /nfs/dbraw/zinc/00/19/81/632001981.db2.gz HYIHRHLKCKNZOH-AWEZNQCLSA-N 0 1 285.387 3.404 20 10 CGCDMN CCOC[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816518616 632001988 /nfs/dbraw/zinc/00/19/88/632001988.db2.gz HYIHRHLKCKNZOH-AWEZNQCLSA-N 0 1 285.387 3.404 20 10 CGCDMN CCCCN(C)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548996 632009024 /nfs/dbraw/zinc/00/90/24/632009024.db2.gz AAKZHCFVSRKKIE-UHFFFAOYSA-N 0 1 286.419 3.367 20 10 CGCDMN Oc1cc(F)c(Cl)cc1CNC1(C(F)F)CC1 ZINC000816599886 632021068 /nfs/dbraw/zinc/02/10/68/632021068.db2.gz CHLMHIJSINXVJC-UHFFFAOYSA-N 0 1 265.662 3.072 20 10 CGCDMN COCC(C)(C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816616618 632024161 /nfs/dbraw/zinc/02/41/61/632024161.db2.gz BGZLQFCMNOZLED-UHFFFAOYSA-N 0 1 273.376 3.308 20 10 CGCDMN CC[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@@H](C)OC ZINC000816617382 632025159 /nfs/dbraw/zinc/02/51/59/632025159.db2.gz XKTLECLCGGEMFO-CYBMUJFWSA-N 0 1 273.376 3.402 20 10 CGCDMN CC[N@H+](Cc1ccc2ccccc2c1[O-])C[C@@H](C)OC ZINC000816617382 632025170 /nfs/dbraw/zinc/02/51/70/632025170.db2.gz XKTLECLCGGEMFO-CYBMUJFWSA-N 0 1 273.376 3.402 20 10 CGCDMN CC[N@H+](Cc1ccc2ccccc2c1[O-])[C@H]1CCOC1 ZINC000816616949 632025357 /nfs/dbraw/zinc/02/53/57/632025357.db2.gz KDRLDWPMRSJZGN-HNNXBMFYSA-N 0 1 271.360 3.156 20 10 CGCDMN CC[N@@H+](Cc1ccc2ccccc2c1[O-])[C@H]1CCOC1 ZINC000816616949 632025359 /nfs/dbraw/zinc/02/53/59/632025359.db2.gz KDRLDWPMRSJZGN-HNNXBMFYSA-N 0 1 271.360 3.156 20 10 CGCDMN C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000866446698 633136897 /nfs/dbraw/zinc/13/68/97/633136897.db2.gz GSLHQMVYGYDHOC-COMAGPEQSA-N 0 1 269.772 3.262 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H](O)C(F)(F)F ZINC000866462890 633144937 /nfs/dbraw/zinc/14/49/37/633144937.db2.gz CLAUNCMGXDWZTA-CVJICSNFSA-N 0 1 297.704 3.008 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])CC1(C)C ZINC000824820513 633296247 /nfs/dbraw/zinc/29/62/47/633296247.db2.gz GVGAGWCYPYYBLR-CQSZACIVSA-N 0 1 283.799 3.293 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])CC1(C)C ZINC000824820513 633296255 /nfs/dbraw/zinc/29/62/55/633296255.db2.gz GVGAGWCYPYYBLR-CQSZACIVSA-N 0 1 283.799 3.293 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825133681 633331918 /nfs/dbraw/zinc/33/19/18/633331918.db2.gz KHCFKMFQGWSBOA-OAHLLOKOSA-N 0 1 281.783 3.048 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825133681 633331919 /nfs/dbraw/zinc/33/19/19/633331919.db2.gz KHCFKMFQGWSBOA-OAHLLOKOSA-N 0 1 281.783 3.048 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]Cc2cccc(CO)c2)cc1Cl ZINC000825240073 633338937 /nfs/dbraw/zinc/33/89/37/633338937.db2.gz CWDJVMBFUATYSK-UHFFFAOYSA-N 0 1 291.778 3.136 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[C@@H]2CCOC2)cc1Cl ZINC000825347081 633347968 /nfs/dbraw/zinc/34/79/68/633347968.db2.gz IROGXKBTZXZONW-NEPJUHHUSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CCCCO2)cc1Cl ZINC000825475806 633356432 /nfs/dbraw/zinc/35/64/32/633356432.db2.gz VRKNVWQAXPDACH-CYBMUJFWSA-N 0 1 283.799 3.403 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1Cl ZINC000825525512 633362035 /nfs/dbraw/zinc/36/20/35/633362035.db2.gz FVTULQUUJQWTCK-XJKSGUPXSA-N 0 1 295.810 3.401 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCOC[C@H]2C)cc1Cl ZINC000825893192 633386763 /nfs/dbraw/zinc/38/67/63/633386763.db2.gz RTLPXJPVVXBOFH-NEPJUHHUSA-N 0 1 283.799 3.116 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1Cl ZINC000826097034 633405465 /nfs/dbraw/zinc/40/54/65/633405465.db2.gz MTRXLQFUAXQEGH-MRXNPFEDSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1Cl ZINC000826097034 633405468 /nfs/dbraw/zinc/40/54/68/633405468.db2.gz MTRXLQFUAXQEGH-MRXNPFEDSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc(O)c(C[N@@H+](C)CC2=CCSC2)c(Cl)c1 ZINC000827812124 633519898 /nfs/dbraw/zinc/51/98/98/633519898.db2.gz CVAXSMSYZOOASL-UHFFFAOYSA-N 0 1 283.824 3.459 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CC2=CCSC2)c(Cl)c1 ZINC000827812124 633519903 /nfs/dbraw/zinc/51/99/03/633519903.db2.gz CVAXSMSYZOOASL-UHFFFAOYSA-N 0 1 283.824 3.459 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CC2=CCSC2)c(Cl)c1 ZINC000827812124 633519907 /nfs/dbraw/zinc/51/99/07/633519907.db2.gz CVAXSMSYZOOASL-UHFFFAOYSA-N 0 1 283.824 3.459 20 10 CGCDMN CC[C@H]([NH2+]CC[C@H](C)CCO)c1cc(Cl)ccc1[O-] ZINC000834832206 634251760 /nfs/dbraw/zinc/25/17/60/634251760.db2.gz MTMIENNOBGGKKO-FZMZJTMJSA-N 0 1 285.815 3.495 20 10 CGCDMN CC[C@H](N[C@H]1CCn2ccnc21)c1ccc(N(C)C)cc1 ZINC000834835289 634253098 /nfs/dbraw/zinc/25/30/98/634253098.db2.gz HDPCXFLVLLIRLU-HOTGVXAUSA-N 0 1 284.407 3.135 20 10 CGCDMN CCN(C/C=C/c1ccc(N(C)C)cc1)Cc1cnn(C)c1 ZINC000835026762 634325593 /nfs/dbraw/zinc/32/55/93/634325593.db2.gz GUWNTYNHUAEGPU-VOTSOKGWSA-N 0 1 298.434 3.021 20 10 CGCDMN CN(C)c1ccc(/C=C/CN2CCOC3(CCC3)C2)cc1 ZINC000835026523 634325639 /nfs/dbraw/zinc/32/56/39/634325639.db2.gz UGPWAPVXJWKWSU-HWKANZROSA-N 0 1 286.419 3.021 20 10 CGCDMN CCc1ncc(CNC/C=C/c2ccc(N(C)C)cc2)o1 ZINC000835055289 634339867 /nfs/dbraw/zinc/33/98/67/634339867.db2.gz UJTIZLTWIWWAAK-AATRIKPKSA-N 0 1 285.391 3.106 20 10 CGCDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000876723954 634886791 /nfs/dbraw/zinc/88/67/91/634886791.db2.gz JLGLTYJYIYZDAS-SNVBAGLBSA-N 0 1 279.286 3.253 20 10 CGCDMN CSCC[C@@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876755604 634892318 /nfs/dbraw/zinc/89/23/18/634892318.db2.gz VLPAZQOUCFSHLD-SECBINFHSA-N 0 1 275.364 3.244 20 10 CGCDMN C[N@@H+](CCc1cccs1)Cc1ccc(F)c(F)c1[O-] ZINC000876768463 634896287 /nfs/dbraw/zinc/89/62/87/634896287.db2.gz JAKMQRQWHFRDLO-UHFFFAOYSA-N 0 1 283.343 3.406 20 10 CGCDMN Cc1cccc(O)c1CN1CCO[C@@H](c2ccsc2)C1 ZINC000876778985 634898412 /nfs/dbraw/zinc/89/84/12/634898412.db2.gz UCYWIXHNIRILTN-MRXNPFEDSA-N 0 1 289.400 3.336 20 10 CGCDMN CCCCN1CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876977012 634942364 /nfs/dbraw/zinc/94/23/64/634942364.db2.gz VJWQFIPNOODTCF-UHFFFAOYSA-N 0 1 298.377 3.025 20 10 CGCDMN CC[C@H](NCc1ccn(CC)n1)c1ccc(N(C)C)cc1 ZINC000840839656 635061422 /nfs/dbraw/zinc/06/14/22/635061422.db2.gz PVGZAYKRUGBZJM-KRWDZBQOSA-N 0 1 286.423 3.210 20 10 CGCDMN CCC[C@]1(CO)CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840946183 635089431 /nfs/dbraw/zinc/08/94/31/635089431.db2.gz HUZXNLHOOXYRCX-INIZCTEOSA-N 0 1 297.826 3.339 20 10 CGCDMN CCC[C@]1(CO)CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840946183 635089433 /nfs/dbraw/zinc/08/94/33/635089433.db2.gz HUZXNLHOOXYRCX-INIZCTEOSA-N 0 1 297.826 3.339 20 10 CGCDMN CO[C@@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C[C@@H]1C ZINC000840949941 635091006 /nfs/dbraw/zinc/09/10/06/635091006.db2.gz DGWOXCISJHQZDJ-XHDPSFHLSA-N 0 1 283.799 3.211 20 10 CGCDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C[C@@H]1C ZINC000840949941 635091008 /nfs/dbraw/zinc/09/10/08/635091008.db2.gz DGWOXCISJHQZDJ-XHDPSFHLSA-N 0 1 283.799 3.211 20 10 CGCDMN COc1cc(CN2Cc3cccc(O)c3C2)ccc1C ZINC000877702938 635153833 /nfs/dbraw/zinc/15/38/33/635153833.db2.gz KTESXJRBFLUMMY-UHFFFAOYSA-N 0 1 269.344 3.225 20 10 CGCDMN Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])o1 ZINC000841755762 635229619 /nfs/dbraw/zinc/22/96/19/635229619.db2.gz RTTOMMRRIDKQOU-IINYFYTJSA-N 0 1 295.766 3.331 20 10 CGCDMN CCn1ccnc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841758839 635231756 /nfs/dbraw/zinc/23/17/56/635231756.db2.gz VJMJSNAGUIFTTP-SNVBAGLBSA-N 0 1 279.771 3.113 20 10 CGCDMN CCn1ccnc1CN[C@H](C)c1ccc(Cl)cc1O ZINC000841758839 635231761 /nfs/dbraw/zinc/23/17/61/635231761.db2.gz VJMJSNAGUIFTTP-SNVBAGLBSA-N 0 1 279.771 3.113 20 10 CGCDMN Cc1cc(CN2C[C@@H](C)OCC23CCC3)ccc1N(C)C ZINC000844420448 635895675 /nfs/dbraw/zinc/89/56/75/635895675.db2.gz BHJSRUWZXDDOGL-OAHLLOKOSA-N 0 1 288.435 3.204 20 10 CGCDMN CCN(C)c1ccc(CN[C@H](C)c2nccnc2C)cc1 ZINC000880108581 635916108 /nfs/dbraw/zinc/91/61/08/635916108.db2.gz BXWYTWFZSIFZMM-CQSZACIVSA-N 0 1 284.407 3.092 20 10 CGCDMN CC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)[C@H](C)CO1 ZINC000846044468 636138068 /nfs/dbraw/zinc/13/80/68/636138068.db2.gz QZOHCAZQZBXFLL-ZJUUUORDSA-N 0 1 287.762 3.184 20 10 CGCDMN CC[C@@H]1C[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000846054791 636139040 /nfs/dbraw/zinc/13/90/40/636139040.db2.gz GDLHRBHDWIFRJP-BXUZGUMPSA-N 0 1 283.799 3.340 20 10 CGCDMN CCc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])o1 ZINC000846056945 636140039 /nfs/dbraw/zinc/14/00/39/636140039.db2.gz CIWMOSJFMOFIQQ-UHFFFAOYSA-N 0 1 265.740 3.491 20 10 CGCDMN CC(C)n1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000846058774 636140434 /nfs/dbraw/zinc/14/04/34/636140434.db2.gz TWBDQYRSEIBHIV-UHFFFAOYSA-N 0 1 279.771 3.113 20 10 CGCDMN COc1cccc([C@@H](C)NCc2ccn(C(C)C)n2)c1O ZINC000846146980 636149814 /nfs/dbraw/zinc/14/98/14/636149814.db2.gz TZWBLKVUPOVRLZ-GFCCVEGCSA-N 0 1 289.379 3.029 20 10 CGCDMN CCc1cccc(CN2CCCC[C@@H]2c2ncc[nH]2)c1O ZINC000848885802 636673943 /nfs/dbraw/zinc/67/39/43/636673943.db2.gz SFFNSIBACWPHNF-OAHLLOKOSA-N 0 1 285.391 3.405 20 10 CGCDMN CCc1cccc(CN[C@@H](C)c2nnc(C(C)C)[nH]2)c1O ZINC000848900760 636681454 /nfs/dbraw/zinc/68/14/54/636681454.db2.gz PZLMVHOOFHDJST-NSHDSACASA-N 0 1 288.395 3.047 20 10 CGCDMN Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000849352717 636817497 /nfs/dbraw/zinc/81/74/97/636817497.db2.gz QJLAHMBXFMSNKW-HNNXBMFYSA-N 0 1 288.778 3.405 20 10 CGCDMN CC[C@@H](COCC1CC1)[NH2+]Cc1c([O-])cccc1Cl ZINC000850349789 637022751 /nfs/dbraw/zinc/02/27/51/637022751.db2.gz KORWJLZBAJUASP-LBPRGKRZSA-N 0 1 283.799 3.340 20 10 CGCDMN CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000134984520 637060926 /nfs/dbraw/zinc/06/09/26/637060926.db2.gz BMAVMNBCBZTCGL-NSHDSACASA-N 0 1 281.783 3.480 20 10 CGCDMN CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000134984520 637060933 /nfs/dbraw/zinc/06/09/33/637060933.db2.gz BMAVMNBCBZTCGL-NSHDSACASA-N 0 1 281.783 3.480 20 10 CGCDMN CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000134984520 637060942 /nfs/dbraw/zinc/06/09/42/637060942.db2.gz BMAVMNBCBZTCGL-NSHDSACASA-N 0 1 281.783 3.480 20 10 CGCDMN Cc1cc(O)c(CNCc2cc(C3CC3)no2)cc1C ZINC000886272622 637476427 /nfs/dbraw/zinc/47/64/27/637476427.db2.gz WKXPXFUDOIMITR-UHFFFAOYSA-N 0 1 272.348 3.164 20 10 CGCDMN CC[C@@H]([NH2+]CCOCCF)c1cc(Cl)ccc1[O-] ZINC000853238392 637789897 /nfs/dbraw/zinc/78/98/97/637789897.db2.gz HXOLEOZHVWOHQW-GFCCVEGCSA-N 0 1 275.751 3.072 20 10 CGCDMN CCC(F)(F)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854474002 638057194 /nfs/dbraw/zinc/05/71/94/638057194.db2.gz IFTHKXVPHVJDKR-UHFFFAOYSA-N 0 1 298.116 3.361 20 10 CGCDMN CN(C)c1cc(F)c(CNCc2ccc(O)cc2)cc1F ZINC000858120290 638636396 /nfs/dbraw/zinc/63/63/96/638636396.db2.gz BCLUXKNCGNFGPG-UHFFFAOYSA-N 0 1 292.329 3.026 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCSC[C@H]2C)c1[O-] ZINC000934301698 639575652 /nfs/dbraw/zinc/57/56/52/639575652.db2.gz WYFMZNLIYWXZAD-SNVBAGLBSA-N 0 1 297.395 3.061 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCSC[C@H]2C)c1[O-] ZINC000934301698 639575655 /nfs/dbraw/zinc/57/56/55/639575655.db2.gz WYFMZNLIYWXZAD-SNVBAGLBSA-N 0 1 297.395 3.061 20 10 CGCDMN CC(=O)c1cc(F)cc(CN2CCCSC[C@H]2C)c1O ZINC000934301698 639575661 /nfs/dbraw/zinc/57/56/61/639575661.db2.gz WYFMZNLIYWXZAD-SNVBAGLBSA-N 0 1 297.395 3.061 20 10 CGCDMN C[C@H]([NH2+]CCn1ccnc1)c1ccc2ccccc2c1[O-] ZINC000041119108 639900344 /nfs/dbraw/zinc/90/03/44/639900344.db2.gz DYANDBCWVIURQG-ZDUSSCGKSA-N 0 1 281.359 3.093 20 10 CGCDMN CCOCc1cc(CNCc2ccoc2)ccc1OC ZINC000195264536 640576562 /nfs/dbraw/zinc/57/65/62/640576562.db2.gz BEYOUXBRGGDXRK-UHFFFAOYSA-N 0 1 275.348 3.115 20 10 CGCDMN CCOc1cccc(CN2CCOC[C@H]2CC(C)C)c1O ZINC000093340145 640769307 /nfs/dbraw/zinc/76/93/07/640769307.db2.gz SYNBNGCAFUOTDB-OAHLLOKOSA-N 0 1 293.407 3.038 20 10 CGCDMN CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])CCS1 ZINC000093502188 640773710 /nfs/dbraw/zinc/77/37/10/640773710.db2.gz GFJYNUVZLFPUJR-GFCCVEGCSA-N 0 1 271.813 3.373 20 10 CGCDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])CCS1 ZINC000093502188 640773717 /nfs/dbraw/zinc/77/37/17/640773717.db2.gz GFJYNUVZLFPUJR-GFCCVEGCSA-N 0 1 271.813 3.373 20 10 CGCDMN COc1ccc(O)c(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000114505859 641000391 /nfs/dbraw/zinc/00/03/91/641000391.db2.gz CMWJBYGYWPHMAL-UHFFFAOYSA-N 0 1 293.750 3.050 20 10 CGCDMN C[C@](O)(C[NH2+]Cc1c([O-])cccc1Cl)c1ccccc1 ZINC000114508367 641000510 /nfs/dbraw/zinc/00/05/10/641000510.db2.gz WWFQEZPQAMWRDZ-INIZCTEOSA-N 0 1 291.778 3.043 20 10 CGCDMN CC(C)COCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000020147283 641040319 /nfs/dbraw/zinc/04/03/19/641040319.db2.gz HMWGBHPJLRZMDP-UHFFFAOYSA-N 0 1 271.788 3.198 20 10 CGCDMN COCOc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1 ZINC001250468524 805636090 /nfs/dbraw/zinc/63/60/90/805636090.db2.gz ATWGLVJXXXKGSN-UHFFFAOYSA-N 0 1 297.358 3.279 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)[C@@H](C)C1 ZINC000305919985 799213943 /nfs/dbraw/zinc/21/39/43/799213943.db2.gz GWLMSQZFKRWJNH-QWRGUYRKSA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)[C@@H](C)C1 ZINC000305919985 799213949 /nfs/dbraw/zinc/21/39/49/799213949.db2.gz GWLMSQZFKRWJNH-QWRGUYRKSA-N 0 1 269.772 3.045 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCOC1 ZINC000381254599 799374844 /nfs/dbraw/zinc/37/48/44/799374844.db2.gz NLZYFHPPCHSVSK-NSHDSACASA-N 0 1 290.190 3.310 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCOC1 ZINC000401575530 799555909 /nfs/dbraw/zinc/55/59/09/799555909.db2.gz NSICBFGQCMJPPF-LLVKDONJSA-N 0 1 290.190 3.310 20 10 CGCDMN C[C@H]1CCC[C@H](C[NH2+]Cc2c([O-])cccc2Cl)O1 ZINC000688900980 799758098 /nfs/dbraw/zinc/75/80/98/799758098.db2.gz QBVMNECRGFRJEQ-WDEREUQCSA-N 0 1 269.772 3.093 20 10 CGCDMN CC(C)(F)CC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691454421 799783813 /nfs/dbraw/zinc/78/38/13/799783813.db2.gz LNHSMEYODXCOPP-UHFFFAOYSA-N 0 1 290.176 3.383 20 10 CGCDMN CO[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000692058700 799791249 /nfs/dbraw/zinc/79/12/49/799791249.db2.gz BRTRLWAJUWCKEU-LLVKDONJSA-N 0 1 269.772 3.047 20 10 CGCDMN CO[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)CC1 ZINC000692058700 799791252 /nfs/dbraw/zinc/79/12/52/799791252.db2.gz BRTRLWAJUWCKEU-LLVKDONJSA-N 0 1 269.772 3.047 20 10 CGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1[O-] ZINC000699242283 799858367 /nfs/dbraw/zinc/85/83/67/799858367.db2.gz BPHXQPHLLLGNGV-GHMZBOCLSA-N 0 1 279.767 3.090 20 10 CGCDMN CCCO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000701666423 799894092 /nfs/dbraw/zinc/89/40/92/799894092.db2.gz VNLPCEHMBKTQOE-ZDUSSCGKSA-N 0 1 269.772 3.047 20 10 CGCDMN CCCO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 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[O-]c1cc(Cl)ccc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001140462513 804441377 /nfs/dbraw/zinc/44/13/77/804441377.db2.gz HXYCWSQTDWZGPT-HNNXBMFYSA-N 0 1 281.783 3.191 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)CC[C@@]1(C)O ZINC001140461810 804441755 /nfs/dbraw/zinc/44/17/55/804441755.db2.gz ULKKUORVNYFEJL-IAQYHMDHSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])CC[C@@]1(C)O ZINC001140461810 804441762 /nfs/dbraw/zinc/44/17/62/804441762.db2.gz ULKKUORVNYFEJL-IAQYHMDHSA-N 0 1 283.799 3.029 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])CC[C@@]1(C)O ZINC001140461810 804441770 /nfs/dbraw/zinc/44/17/70/804441770.db2.gz ULKKUORVNYFEJL-IAQYHMDHSA-N 0 1 283.799 3.029 20 10 CGCDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001140582151 804465943 /nfs/dbraw/zinc/46/59/43/804465943.db2.gz DONAJTJLAWNXKY-PHIMTYICSA-N 0 1 267.319 3.292 20 10 CGCDMN CC(C)[C@H]1CCC[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140584216 804467742 /nfs/dbraw/zinc/46/77/42/804467742.db2.gz 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CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@H](O)C(C)C ZINC000841756272 620402574 /nfs/dbraw/zinc/40/25/74/620402574.db2.gz SLFCTSCRXXNXOI-VZJVUDMVSA-N 0 1 285.815 3.492 20 10 CGCDMN Cc1nc(CN[C@@H](C)c2ccc(C)cc2O)cs1 ZINC000041010449 620549902 /nfs/dbraw/zinc/54/99/02/620549902.db2.gz DCDQGBXRXGWVOS-JTQLQIEISA-N 0 1 262.378 3.316 20 10 CGCDMN C[C@H]([NH2+]C1CC(CCO)C1)c1ccc2ccccc2c1[O-] ZINC000903328876 621702754 /nfs/dbraw/zinc/70/27/54/621702754.db2.gz GJFJJAKPYIPBDB-OPFPJEHXSA-N 0 1 285.387 3.357 20 10 CGCDMN CN1CCN(c2ccc(/C=C\c3nccs3)cc2)CC1 ZINC000905073954 622036790 /nfs/dbraw/zinc/03/67/90/622036790.db2.gz VHXWNNAUSCYXFS-DAXSKMNVSA-N 0 1 285.416 3.065 20 10 CGCDMN CC(C)C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)N(C)C ZINC000083551792 625645443 /nfs/dbraw/zinc/64/54/43/625645443.db2.gz CNIHYLSCXOYATN-GFCCVEGCSA-N 0 1 284.831 3.112 20 10 CGCDMN Oc1ccc(F)cc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000180205990 624729128 /nfs/dbraw/zinc/72/91/28/624729128.db2.gz FXAKSAAZWQIZCU-ZFWWWQNUSA-N 0 1 281.396 3.391 20 10 CGCDMN COc1ccc(O)c(CN2CCc3cc(F)ccc3C2)c1 ZINC000181442998 624860859 /nfs/dbraw/zinc/86/08/59/624860859.db2.gz YZTDHXWRHUFIHS-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN Cc1csc([C@@H](C)NCc2cc(C)ccc2O)n1 ZINC000070988829 625049032 /nfs/dbraw/zinc/04/90/32/625049032.db2.gz VCFPQQIUVJAJGF-LLVKDONJSA-N 0 1 262.378 3.316 20 10 CGCDMN c1cc2c(c(CNCc3ccc4c(c3)CCO4)n1)CCCC2 ZINC000921651408 625807160 /nfs/dbraw/zinc/80/71/60/625807160.db2.gz QUSOYAMSPNQGGX-UHFFFAOYSA-N 0 1 294.398 3.185 20 10 CGCDMN Cc1ncc(CN[C@H]2C[C@H](C)c3c2c(O)ccc3F)o1 ZINC000840794553 626244997 /nfs/dbraw/zinc/24/49/97/626244997.db2.gz LGTJQNZYHQCEKQ-UFBFGSQYSA-N 0 1 276.311 3.166 20 10 CGCDMN CCN(C)c1ccc([C@@H](C)N[C@@H](C)c2ccn(C)n2)cc1 ZINC000840816446 626273999 /nfs/dbraw/zinc/27/39/99/626273999.db2.gz NIQVOKIDNNFYGY-KGLIPLIRSA-N 0 1 286.423 3.288 20 10 CGCDMN CC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000842927805 626291842 /nfs/dbraw/zinc/29/18/42/626291842.db2.gz GVKQJZPVFSMLNH-GAFUQQFSSA-N 0 1 269.772 3.264 20 10 CGCDMN CCN(C)c1ccc([C@H](C)NCc2cnc(C)o2)cc1 ZINC000840797214 626354471 /nfs/dbraw/zinc/35/44/71/626354471.db2.gz QHEJDUFVZCUBJW-LBPRGKRZSA-N 0 1 273.380 3.290 20 10 CGCDMN CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756576802 626717501 /nfs/dbraw/zinc/71/75/01/626717501.db2.gz PARDEROACAMPFW-PGUXBMHVSA-N 0 1 285.815 3.493 20 10 CGCDMN C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCO)c2c1c(F)ccc2[O-] ZINC000756619913 626721350 /nfs/dbraw/zinc/72/13/50/626721350.db2.gz ZAXYZZQJHJGKMV-ZYHUDNBSSA-N 0 1 281.371 3.078 20 10 CGCDMN Cc1ccc(O)c([C@H](C)NCc2ncccc2F)c1 ZINC000756770382 626730655 /nfs/dbraw/zinc/73/06/55/626730655.db2.gz UXBZDVNFTSCGIF-NSHDSACASA-N 0 1 260.312 3.086 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000768138546 627462941 /nfs/dbraw/zinc/46/29/41/627462941.db2.gz OQQJYIOUHUNQHC-SECBINFHSA-N 0 1 284.743 3.186 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000769448372 627553616 /nfs/dbraw/zinc/55/36/16/627553616.db2.gz MMYOPCRWBAZXKW-DTORHVGOSA-N 0 1 284.743 3.042 20 10 CGCDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769470015 627557570 /nfs/dbraw/zinc/55/75/70/627557570.db2.gz JEESKHLFGZHVEB-BDAKNGLRSA-N 0 1 284.743 3.184 20 10 CGCDMN Cc1ccc(O)c(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000769497239 627559813 /nfs/dbraw/zinc/55/98/13/627559813.db2.gz AXRYQFCUWIFQPO-CQSZACIVSA-N 0 1 291.391 3.007 20 10 CGCDMN CCOc1ccc(C[N@H+](C)[C@@H](C)C2(C)CC2)c([O-])c1 ZINC000770288557 627611924 /nfs/dbraw/zinc/61/19/24/627611924.db2.gz MWYHMRRNZNXYBK-LBPRGKRZSA-N 0 1 263.381 3.411 20 10 CGCDMN CCOc1ccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c([O-])c1 ZINC000770288557 627611926 /nfs/dbraw/zinc/61/19/26/627611926.db2.gz MWYHMRRNZNXYBK-LBPRGKRZSA-N 0 1 263.381 3.411 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770285229 627612044 /nfs/dbraw/zinc/61/20/44/627612044.db2.gz FPQDERKVJJMZTA-BXUZGUMPSA-N 0 1 281.783 3.047 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770285229 627612046 /nfs/dbraw/zinc/61/20/46/627612046.db2.gz FPQDERKVJJMZTA-BXUZGUMPSA-N 0 1 281.783 3.047 20 10 CGCDMN COc1ccsc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000771935176 627746278 /nfs/dbraw/zinc/74/62/78/627746278.db2.gz MSTIQPWUIIKUEP-UHFFFAOYSA-N 0 1 290.432 3.455 20 10 CGCDMN CC[C@H]1CN(Cc2ccc(N(C)CC)cc2)C[C@H](C)O1 ZINC000773757870 627912192 /nfs/dbraw/zinc/91/21/92/627912192.db2.gz QSYASQZRSBJPHZ-YOEHRIQHSA-N 0 1 276.424 3.142 20 10 CGCDMN CC(C)n1ccc(CN[C@@H](C)c2ccccc2O)n1 ZINC000775136530 628067402 /nfs/dbraw/zinc/06/74/02/628067402.db2.gz KQRVUIZMOKZGBU-LBPRGKRZSA-N 0 1 259.353 3.020 20 10 CGCDMN CC[C@@H]([NH2+][C@@H](C)COC)c1cc(Cl)ccc1[O-] ZINC000775483227 628097993 /nfs/dbraw/zinc/09/79/93/628097993.db2.gz POFACPGLRBYVBG-JOYOIKCWSA-N 0 1 257.761 3.121 20 10 CGCDMN CC[C@H](CCO)C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775513905 628102427 /nfs/dbraw/zinc/10/24/27/628102427.db2.gz WFANCYIMARHQEL-BXUZGUMPSA-N 0 1 285.815 3.495 20 10 CGCDMN CC[C@H]([NH2+][C@H](C)Cn1cccn1)c1cc(Cl)ccc1[O-] ZINC000775519124 628103320 /nfs/dbraw/zinc/10/33/20/628103320.db2.gz IRGNPPBKSSRSDK-RISCZKNCSA-N 0 1 293.798 3.372 20 10 CGCDMN CC[C@H]([NH2+]CC(C)(C)CO)c1cc(Cl)ccc1[O-] ZINC000775521938 628103509 /nfs/dbraw/zinc/10/35/09/628103509.db2.gz FSIZRXYITLHWGH-LBPRGKRZSA-N 0 1 271.788 3.105 20 10 CGCDMN FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1cnc[nH]1 ZINC000776103021 628166952 /nfs/dbraw/zinc/16/69/52/628166952.db2.gz UMAXWIJACYYHLI-UHFFFAOYSA-N 0 1 297.280 3.261 20 10 CGCDMN CC[C@H]([NH2+]Cc1cncn1C)c1cc(Cl)ccc1[O-] ZINC000810243374 628241291 /nfs/dbraw/zinc/24/12/91/628241291.db2.gz NSIQWTWVFFMNHT-ZDUSSCGKSA-N 0 1 279.771 3.020 20 10 CGCDMN Cc1nccnc1[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000783294266 628700249 /nfs/dbraw/zinc/70/02/49/628700249.db2.gz IWYASSDZHZDYGM-TZMCWYRMSA-N 0 1 284.407 3.263 20 10 CGCDMN CC[C@H]([NH2+]CCOCC(F)F)c1cc(Cl)ccc1[O-] ZINC000788260342 629043171 /nfs/dbraw/zinc/04/31/71/629043171.db2.gz ZJSZCETVAXCKAE-NSHDSACASA-N 0 1 293.741 3.368 20 10 CGCDMN CCOc1ccc(O)c(CN(C)Cc2ccc(C)cn2)c1 ZINC000789590571 629148879 /nfs/dbraw/zinc/14/88/79/629148879.db2.gz UJFFGNNCGHNRCO-UHFFFAOYSA-N 0 1 286.375 3.126 20 10 CGCDMN CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000790485460 629212776 /nfs/dbraw/zinc/21/27/76/629212776.db2.gz LVBQZAZFLUGDPJ-HNNXBMFYSA-N 0 1 296.842 3.256 20 10 CGCDMN COCC[N@H+](Cc1c([O-])ccc(Cl)c1F)CC(C)C ZINC000792162130 629342777 /nfs/dbraw/zinc/34/27/77/629342777.db2.gz FUXUNGVKBMIXBU-UHFFFAOYSA-N 0 1 289.778 3.289 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000792171089 629343910 /nfs/dbraw/zinc/34/39/10/629343910.db2.gz XPVSYPILLJPDQE-ZWNOBZJWSA-N 0 1 299.773 3.186 20 10 CGCDMN CCCN(Cc1cc(C)ccc1O)[C@@H](CC)C(=O)OCC ZINC000792185259 629346660 /nfs/dbraw/zinc/34/66/60/629346660.db2.gz CVZJMOFJGQAPKO-HNNXBMFYSA-N 0 1 293.407 3.254 20 10 CGCDMN Cc1ccncc1C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000793335249 629444649 /nfs/dbraw/zinc/44/46/49/629444649.db2.gz CPFPTTBGTJPIDM-UHFFFAOYSA-N 0 1 270.376 3.344 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000793620061 629491184 /nfs/dbraw/zinc/49/11/84/629491184.db2.gz KHLKBZMLZMFNFV-HNNXBMFYSA-N 0 1 281.783 3.048 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000793620061 629491188 /nfs/dbraw/zinc/49/11/88/629491188.db2.gz KHLKBZMLZMFNFV-HNNXBMFYSA-N 0 1 281.783 3.048 20 10 CGCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CCC1 ZINC000119616002 629668305 /nfs/dbraw/zinc/66/83/05/629668305.db2.gz XNXCJAFZBQSWFI-VIFPVBQESA-N 0 1 284.197 3.433 20 10 CGCDMN C[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000799390735 630177148 /nfs/dbraw/zinc/17/71/48/630177148.db2.gz QUPXDVKFFJDUGO-LBPRGKRZSA-N 0 1 256.349 3.172 20 10 CGCDMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000799390735 630177150 /nfs/dbraw/zinc/17/71/50/630177150.db2.gz QUPXDVKFFJDUGO-LBPRGKRZSA-N 0 1 256.349 3.172 20 10 CGCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)CO)c1[O-] ZINC000808708795 630667896 /nfs/dbraw/zinc/66/78/96/630667896.db2.gz QMXGDICTJVIAIN-SNVBAGLBSA-N 0 1 271.788 3.023 20 10 CGCDMN CCN(Cc1oc(C)nc1C)Cc1ccc(N(C)C)cc1 ZINC000809934238 630816826 /nfs/dbraw/zinc/81/68/26/630816826.db2.gz NAIWGEIZRFWVFD-UHFFFAOYSA-N 0 1 287.407 3.380 20 10 CGCDMN CCC[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000815076774 631712977 /nfs/dbraw/zinc/71/29/77/631712977.db2.gz MDBLVMZZMFXZKE-INIZCTEOSA-N 0 1 276.424 3.062 20 10 CGCDMN CCN1CCC([N@@H+](C)Cc2ccc3ccccc3c2O)CC1 ZINC000816484168 631989646 /nfs/dbraw/zinc/98/96/46/631989646.db2.gz RINDBEFLRZNXPJ-UHFFFAOYSA-N 0 1 298.430 3.462 20 10 CGCDMN CCc1nocc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000816484955 631990327 /nfs/dbraw/zinc/99/03/27/631990327.db2.gz UPRDNMVELAOLFC-UHFFFAOYSA-N 0 1 299.418 3.468 20 10 CGCDMN CC[C@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@@H](C)O1 ZINC000816496234 631993704 /nfs/dbraw/zinc/99/37/04/631993704.db2.gz BFOFSBQUCNRPER-KOLCDFICSA-N 0 1 287.762 3.184 20 10 CGCDMN Oc1c(C[N@H+]2CCOC3(CCC3)C2)ccc2ccccc21 ZINC000816514886 632001208 /nfs/dbraw/zinc/00/12/08/632001208.db2.gz JYQUQZOPEAOEKC-UHFFFAOYSA-N 0 1 283.371 3.300 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCOC3(CCC3)C2)ccc2ccccc21 ZINC000816514886 632001222 /nfs/dbraw/zinc/00/12/22/632001222.db2.gz JYQUQZOPEAOEKC-UHFFFAOYSA-N 0 1 283.371 3.300 20 10 CGCDMN [O-]c1c(C[N@H+]2CCOC3(CCC3)C2)ccc2ccccc21 ZINC000816514886 632001229 /nfs/dbraw/zinc/00/12/29/632001229.db2.gz JYQUQZOPEAOEKC-UHFFFAOYSA-N 0 1 283.371 3.300 20 10 CGCDMN [O-]c1c(C[NH2+]C[C@@H]2CCCOC2)ccc2ccccc21 ZINC000816536733 632005409 /nfs/dbraw/zinc/00/54/09/632005409.db2.gz IIBKUDUOZCSPFZ-ZDUSSCGKSA-N 0 1 271.360 3.062 20 10 CGCDMN COCCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816535034 632005932 /nfs/dbraw/zinc/00/59/32/632005932.db2.gz CPFLPFFBXPTMGG-UHFFFAOYSA-N 0 1 259.349 3.062 20 10 CGCDMN Oc1c(CNCc2nccs2)ccc2ccccc21 ZINC000816537123 632006373 /nfs/dbraw/zinc/00/63/73/632006373.db2.gz UFYLDWUWSNHQDZ-UHFFFAOYSA-N 0 1 270.357 3.292 20 10 CGCDMN C[C@@H](O)CC(C)(C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552436 632010222 /nfs/dbraw/zinc/01/02/22/632010222.db2.gz MIFPMFZWPAAFSK-CYBMUJFWSA-N 0 1 287.403 3.432 20 10 CGCDMN C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816564364 632013165 /nfs/dbraw/zinc/01/31/65/632013165.db2.gz COEVEDSMEQGISL-DZGCQCFKSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816564364 632013172 /nfs/dbraw/zinc/01/31/72/632013172.db2.gz COEVEDSMEQGISL-DZGCQCFKSA-N 0 1 285.387 3.138 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)[C@H](C)[C@@H](C)O1 ZINC000816586363 632018160 /nfs/dbraw/zinc/01/81/60/632018160.db2.gz GHAILAKGSMXYGW-OPRDCNLKSA-N 0 1 287.762 3.182 20 10 CGCDMN C[C@]1(O)CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816594673 632019282 /nfs/dbraw/zinc/01/92/82/632019282.db2.gz LXRSYSQUKOYAGT-SFHVURJKSA-N 0 1 285.387 3.282 20 10 CGCDMN C[C@]1(O)CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816594673 632019289 /nfs/dbraw/zinc/01/92/89/632019289.db2.gz LXRSYSQUKOYAGT-SFHVURJKSA-N 0 1 285.387 3.282 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCCC2(O)CCC2)c(Cl)c1 ZINC000817413879 632143806 /nfs/dbraw/zinc/14/38/06/632143806.db2.gz CFCCRDNHLLXWDB-UHFFFAOYSA-N 0 1 283.799 3.139 20 10 CGCDMN CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCO1 ZINC000817414962 632145449 /nfs/dbraw/zinc/14/54/49/632145449.db2.gz NIVLLRVEVZIPIF-QWHCGFSZSA-N 0 1 269.772 3.093 20 10 CGCDMN CC[C@@H]([NH2+]CC(C)(C)N)c1ccc(Cl)c(Cl)c1[O-] ZINC000817960767 632256106 /nfs/dbraw/zinc/25/61/06/632256106.db2.gz PKALUWXPSVAXKJ-SNVBAGLBSA-N 0 1 291.222 3.477 20 10 CGCDMN CCCCN(Cc1snnc1C)Cc1ccccc1O ZINC000844323103 635869498 /nfs/dbraw/zinc/86/94/98/635869498.db2.gz KZWSFVWWUZNRNH-UHFFFAOYSA-N 0 1 291.420 3.354 20 10 CGCDMN CC[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Cl)ccc1[O-] ZINC000866442468 633133396 /nfs/dbraw/zinc/13/33/96/633133396.db2.gz MIYBDJQFZIXWBO-PWSUYJOCSA-N 0 1 293.741 3.102 20 10 CGCDMN C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000866443655 633133718 /nfs/dbraw/zinc/13/37/18/633133718.db2.gz RJXLNGXRYHGBCN-PRFIWBCESA-N 0 1 269.772 3.262 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1Cl ZINC000824555526 633259787 /nfs/dbraw/zinc/25/97/87/633259787.db2.gz HAWKAFRIERCAJQ-GFCCVEGCSA-N 0 1 295.810 3.355 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1Cl ZINC000824555526 633259790 /nfs/dbraw/zinc/25/97/90/633259790.db2.gz HAWKAFRIERCAJQ-GFCCVEGCSA-N 0 1 295.810 3.355 20 10 CGCDMN CO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1C ZINC000824815671 633293803 /nfs/dbraw/zinc/29/38/03/633293803.db2.gz WJYJLYFVBPQLQS-UGSOOPFHSA-N 0 1 285.387 3.402 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1C ZINC000824815671 633293816 /nfs/dbraw/zinc/29/38/16/633293816.db2.gz WJYJLYFVBPQLQS-UGSOOPFHSA-N 0 1 285.387 3.402 20 10 CGCDMN C[N@H+](Cc1ccc(Br)cc1[O-])C1CCC1 ZINC000824823313 633297617 /nfs/dbraw/zinc/29/76/17/633297617.db2.gz AGECBSGMMZQKIC-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN C[N@@H+](Cc1ccc(Br)cc1[O-])C1CCC1 ZINC000824823313 633297633 /nfs/dbraw/zinc/29/76/33/633297633.db2.gz AGECBSGMMZQKIC-UHFFFAOYSA-N 0 1 270.170 3.139 20 10 CGCDMN CC(C)OC(=O)[C@@H](NCc1cccc(Cl)c1O)C(C)C ZINC000824844529 633299090 /nfs/dbraw/zinc/29/90/90/633299090.db2.gz ASUVTLXFPOALGN-ZDUSSCGKSA-N 0 1 299.798 3.111 20 10 CGCDMN CCCc1ncc(CNCc2cc(Cl)ccc2O)o1 ZINC000825086654 633327144 /nfs/dbraw/zinc/32/71/44/633327144.db2.gz UTPCHXLIEARECJ-UHFFFAOYSA-N 0 1 280.755 3.276 20 10 CGCDMN CCCc1ncc(C[NH2+]Cc2cc(Cl)ccc2[O-])o1 ZINC000825086654 633327151 /nfs/dbraw/zinc/32/71/51/633327151.db2.gz UTPCHXLIEARECJ-UHFFFAOYSA-N 0 1 280.755 3.276 20 10 CGCDMN CCCCOCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825167071 633333747 /nfs/dbraw/zinc/33/37/47/633333747.db2.gz HGSAUWQKBFNFKK-UHFFFAOYSA-N 0 1 271.788 3.260 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H](CO)c2ccccc2)cc1Cl ZINC000825278719 633341835 /nfs/dbraw/zinc/34/18/35/633341835.db2.gz OYDWBXKFRXKXJO-OAHLLOKOSA-N 0 1 291.778 3.177 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)CC(C)(C)C)cc1Cl ZINC000825376371 633350260 /nfs/dbraw/zinc/35/02/60/633350260.db2.gz YQVAXRRMMXRION-GFCCVEGCSA-N 0 1 285.815 3.241 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cc1Cl ZINC000825502282 633358886 /nfs/dbraw/zinc/35/88/86/633358886.db2.gz VWCRLWJOZYELBZ-CVEARBPZSA-N 0 1 295.810 3.401 20 10 CGCDMN COC(=O)CCC(C)(C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825519821 633361494 /nfs/dbraw/zinc/36/14/94/633361494.db2.gz NRYANECNCGCGTA-UHFFFAOYSA-N 0 1 299.798 3.175 20 10 CGCDMN CSC1(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825725873 633377679 /nfs/dbraw/zinc/37/76/79/633377679.db2.gz CCRDXKJKNSATAH-UHFFFAOYSA-N 0 1 271.813 3.339 20 10 CGCDMN CO[C@@](C)(C[NH2+]Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000825955998 633391834 /nfs/dbraw/zinc/39/18/34/633391834.db2.gz WGKKXUANERVGGM-HNNXBMFYSA-N 0 1 283.799 3.259 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H](C)Cc2ccccn2)cc1Cl ZINC000826534450 633411685 /nfs/dbraw/zinc/41/16/85/633411685.db2.gz GPTQQJWMMYFADO-GFCCVEGCSA-N 0 1 290.794 3.470 20 10 CGCDMN Oc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827292752 633477953 /nfs/dbraw/zinc/47/79/53/633477953.db2.gz SIQDEUFLDZWDQC-PKOBYXMFSA-N 0 1 295.382 3.016 20 10 CGCDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)O1 ZINC000827371707 633485751 /nfs/dbraw/zinc/48/57/51/633485751.db2.gz YOLZFUXPQZHFCL-ZJUUUORDSA-N 0 1 287.762 3.184 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CCCS1 ZINC000123954789 634020820 /nfs/dbraw/zinc/02/08/20/634020820.db2.gz DTNUXHNNAOYJJG-SECBINFHSA-N 0 1 257.786 3.031 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@]23CCC[C@H]2OCC3)cc1Cl ZINC000872264177 634094009 /nfs/dbraw/zinc/09/40/09/634094009.db2.gz OBBDUOWVYDHEHZ-CABCVRRESA-N 0 1 281.783 3.155 20 10 CGCDMN C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccc(N(C)C)cc1 ZINC000834769407 634239378 /nfs/dbraw/zinc/23/93/78/634239378.db2.gz MSYSNWLLABRYEX-HEHGZKQESA-N 0 1 284.407 3.306 20 10 CGCDMN Cc1cc(C)c([C@H](C)N[C@@H]2CCn3ccnc32)c(O)c1 ZINC000834831073 634251423 /nfs/dbraw/zinc/25/14/23/634251423.db2.gz HUUJFJXHQDXVQC-QWHCGFSZSA-N 0 1 271.364 3.001 20 10 CGCDMN CCCOc1ccc(CNCc2ccnn2CC)cc1C ZINC000873140908 634257431 /nfs/dbraw/zinc/25/74/31/634257431.db2.gz XQAVRXUEPDHKOB-UHFFFAOYSA-N 0 1 287.407 3.290 20 10 CGCDMN CCCOc1ccc(CN[C@H](C)c2ccnn2C)cc1C ZINC000873151959 634259780 /nfs/dbraw/zinc/25/97/80/634259780.db2.gz DXVYTQQLZAFMIY-CQSZACIVSA-N 0 1 287.407 3.368 20 10 CGCDMN C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000834895642 634272115 /nfs/dbraw/zinc/27/21/15/634272115.db2.gz CLNORQDDHRUORB-MNOVXSKESA-N 0 1 293.798 3.061 20 10 CGCDMN CN(C)c1ccc(/C=C\CN(C)Cc2ccc[nH]2)cc1 ZINC000835027642 634326371 /nfs/dbraw/zinc/32/63/71/634326371.db2.gz FRRXZBQBRLBHLK-WAYWQWQTSA-N 0 1 269.392 3.226 20 10 CGCDMN Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2[O-])on1 ZINC000876617784 634868440 /nfs/dbraw/zinc/86/84/40/634868440.db2.gz VAAUFSHRBCCFPW-LBPRGKRZSA-N 0 1 294.301 3.304 20 10 CGCDMN CCCN(Cc1cnc(OC)s1)Cc1ccccc1O ZINC000876654705 634875486 /nfs/dbraw/zinc/87/54/86/634875486.db2.gz MLPVFEMBHSKMNS-UHFFFAOYSA-N 0 1 292.404 3.270 20 10 CGCDMN Cc1cccc(O)c1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000876656238 634875599 /nfs/dbraw/zinc/87/55/99/634875599.db2.gz IQOSFNPNHREACT-CQSZACIVSA-N 0 1 271.364 3.151 20 10 CGCDMN C[C@@H](N[C@@H](C)c1ccn(C)n1)c1cc(Cl)ccc1O ZINC000840818209 635057371 /nfs/dbraw/zinc/05/73/71/635057371.db2.gz XQMSUASRGUIBOE-ZJUUUORDSA-N 0 1 279.771 3.191 20 10 CGCDMN CO[C@]1(C)CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877491244 635058459 /nfs/dbraw/zinc/05/84/59/635058459.db2.gz HRFKAGRTZVWEIO-OAHLLOKOSA-N 0 1 285.334 3.061 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@H](c3ccccn3)C2)ccc(F)c1F ZINC000877500317 635062356 /nfs/dbraw/zinc/06/23/56/635062356.db2.gz FCHNOBYIWKHGRM-NSHDSACASA-N 0 1 290.313 3.055 20 10 CGCDMN [O-]c1c(C[N@H+]2CC[C@@H](c3ccccn3)C2)ccc(F)c1F ZINC000877500316 635062836 /nfs/dbraw/zinc/06/28/36/635062836.db2.gz FCHNOBYIWKHGRM-LLVKDONJSA-N 0 1 290.313 3.055 20 10 CGCDMN CCC[C@H](CCO)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840901429 635079307 /nfs/dbraw/zinc/07/93/07/635079307.db2.gz JMTOHVAQQYIOAW-GFCCVEGCSA-N 0 1 285.815 3.242 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)CC2CCOCC2)c(Cl)c1 ZINC000840917263 635082721 /nfs/dbraw/zinc/08/27/21/635082721.db2.gz JNLDABWWOSHGGS-UHFFFAOYSA-N 0 1 283.799 3.212 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)CC2CCOCC2)c(Cl)c1 ZINC000840917263 635082727 /nfs/dbraw/zinc/08/27/27/635082727.db2.gz JNLDABWWOSHGGS-UHFFFAOYSA-N 0 1 283.799 3.212 20 10 CGCDMN CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840938747 635087021 /nfs/dbraw/zinc/08/70/21/635087021.db2.gz GMNLJQNOARVHML-QWRGUYRKSA-N 0 1 299.798 3.031 20 10 CGCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CC1(F)F ZINC000840967296 635096139 /nfs/dbraw/zinc/09/61/39/635096139.db2.gz DRUZABRDZLNONL-XCBNKYQSSA-N 0 1 261.699 3.179 20 10 CGCDMN Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c(O)c1 ZINC000877607300 635109666 /nfs/dbraw/zinc/10/96/66/635109666.db2.gz CYJZVIZQLCDWQI-AWEZNQCLSA-N 0 1 275.392 3.092 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877740738 635175404 /nfs/dbraw/zinc/17/54/04/635175404.db2.gz TUXNPMZQXBOZBR-QWRGUYRKSA-N 0 1 283.824 3.231 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877740738 635175409 /nfs/dbraw/zinc/17/54/09/635175409.db2.gz TUXNPMZQXBOZBR-QWRGUYRKSA-N 0 1 283.824 3.231 20 10 CGCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1ccn(C)n1 ZINC000841753227 635227293 /nfs/dbraw/zinc/22/72/93/635227293.db2.gz FHJQYYDRELSEAI-NXEZZACHSA-N 0 1 279.771 3.191 20 10 CGCDMN CSC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757916 635231554 /nfs/dbraw/zinc/23/15/54/635231554.db2.gz GILZDPRXVKVQES-RKDXNWHRSA-N 0 1 259.802 3.448 20 10 CGCDMN C[C@H]([NH2+]CC1=CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841759018 635232161 /nfs/dbraw/zinc/23/21/61/635232161.db2.gz WYYRIDRLVXGUID-JTQLQIEISA-N 0 1 267.756 3.043 20 10 CGCDMN C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841764113 635232742 /nfs/dbraw/zinc/23/27/42/635232742.db2.gz PFEXADVTFPNQHH-BXUZGUMPSA-N 0 1 294.826 3.181 20 10 CGCDMN COc1ccccc1C1(NCc2ccc3c(c2)CCO3)CC1 ZINC000842739066 635454724 /nfs/dbraw/zinc/45/47/24/635454724.db2.gz HTXJGTDZOQDIDQ-UHFFFAOYSA-N 0 1 295.382 3.409 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000843429183 635672270 /nfs/dbraw/zinc/67/22/70/635672270.db2.gz SOXLGFKUFLUWFH-AWEZNQCLSA-N 0 1 281.783 3.047 20 10 CGCDMN Cc1cc([O-])c(C[NH+]2CCC(C3(O)CC3)CC2)c(Cl)c1 ZINC000846009440 636128564 /nfs/dbraw/zinc/12/85/64/636128564.db2.gz ZTIOCSGBTRMTGX-UHFFFAOYSA-N 0 1 295.810 3.091 20 10 CGCDMN CC[C@H]1CN(Cc2cc(Cl)c(F)cc2O)[C@H](C)CO1 ZINC000846043950 636137837 /nfs/dbraw/zinc/13/78/37/636137837.db2.gz DUOPOHUOIHGURT-KOLCDFICSA-N 0 1 287.762 3.184 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CC(C(F)F)C1 ZINC000846054810 636138854 /nfs/dbraw/zinc/13/88/54/636138854.db2.gz GRMFORDJGKSACL-UHFFFAOYSA-N 0 1 261.699 3.179 20 10 CGCDMN C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)C2(CCC2)CO1 ZINC000846066664 636140308 /nfs/dbraw/zinc/14/03/08/636140308.db2.gz FFFHMNDOOYGUBX-JTQLQIEISA-N 0 1 299.773 3.328 20 10 CGCDMN CCc1cnc(CN[C@H](C)c2cccc(OC)c2O)s1 ZINC000846143536 636149190 /nfs/dbraw/zinc/14/91/90/636149190.db2.gz CKEVAHZPKQHXCG-SNVBAGLBSA-N 0 1 292.404 3.271 20 10 CGCDMN CCc1cccc(CN2CCn3cccc3[C@@H]2C)c1O ZINC000848877492 636669322 /nfs/dbraw/zinc/66/93/22/636669322.db2.gz SFFLTPNAFLZCKG-ZDUSSCGKSA-N 0 1 270.376 3.333 20 10 CGCDMN CCOc1cccc(C[N@@H+](C)CCC(C)C)c1O ZINC000133562422 636940204 /nfs/dbraw/zinc/94/02/04/636940204.db2.gz LTXLNBGXHCBBGN-UHFFFAOYSA-N 0 1 251.370 3.269 20 10 CGCDMN C[C@H]([NH2+][C@H](CO)C1CCC1)c1ccc2ccccc2c1[O-] ZINC000850487961 637088159 /nfs/dbraw/zinc/08/81/59/637088159.db2.gz JYBQANFREHTVDC-YVEFUNNKSA-N 0 1 285.387 3.357 20 10 CGCDMN CC[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cc(Cl)ccc1[O-] ZINC000850547814 637116889 /nfs/dbraw/zinc/11/68/89/637116889.db2.gz XAHRUKPYLZRETM-QEJZJMRPSA-N 0 1 295.810 3.390 20 10 CGCDMN C[C@@H]([NH2+]CC1CCC(O)CC1)c1cc(Cl)ccc1[O-] ZINC000850556931 637121800 /nfs/dbraw/zinc/12/18/00/637121800.db2.gz ULGQHUVDMJLAQG-XSRFYTQQSA-N 0 1 283.799 3.247 20 10 CGCDMN Cc1ccc(O)c([C@@H](C)NCc2cc(C3CC3)no2)c1 ZINC000886684249 637650741 /nfs/dbraw/zinc/65/07/41/637650741.db2.gz IFDWWKIFJPZXJC-LLVKDONJSA-N 0 1 272.348 3.417 20 10 CGCDMN CN(Cc1ccccc1O)Cc1cc(F)ccc1F ZINC000111235192 637804258 /nfs/dbraw/zinc/80/42/58/637804258.db2.gz UBAKUUJGIJMXAU-UHFFFAOYSA-N 0 1 263.287 3.302 20 10 CGCDMN CCSCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000300917856 637856262 /nfs/dbraw/zinc/85/62/62/637856262.db2.gz KUSVDHHTEXYERY-UHFFFAOYSA-N 0 1 259.802 3.278 20 10 CGCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc2c1OCO2 ZINC000924902094 638422902 /nfs/dbraw/zinc/42/29/02/638422902.db2.gz WJKIKZRCQNYHSB-GFCCVEGCSA-N 0 1 297.354 3.201 20 10 CGCDMN Cc1cc(CNCc2cn[nH]c2)c(C)n1-c1cccc(C)c1 ZINC000858292640 638673958 /nfs/dbraw/zinc/67/39/58/638673958.db2.gz CJNJWUJDDZRYLY-UHFFFAOYSA-N 0 1 294.402 3.415 20 10 CGCDMN C/C=C/CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000858886540 639037996 /nfs/dbraw/zinc/03/79/96/639037996.db2.gz WYYKIAAWJGXNSL-NSCUHMNNSA-N 0 1 289.162 3.074 20 10 CGCDMN C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000304106924 640855849 /nfs/dbraw/zinc/85/58/49/640855849.db2.gz KGUPIZJCKOJSBR-MRXNPFEDSA-N 0 1 291.778 3.043 20 10 CGCDMN Oc1cc(-c2nnc(-c3ccccc3)o2)cc(Cl)c1O ZINC001253138584 806180029 /nfs/dbraw/zinc/18/00/29/806180029.db2.gz YWOSKPIRKNVPIW-UHFFFAOYSA-N 0 1 288.690 3.468 20 10 CGCDMN CCCC[N@@H+](CC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037322416 798866799 /nfs/dbraw/zinc/86/67/99/798866799.db2.gz BSJACXUEQFNNQV-UHFFFAOYSA-N 0 1 267.344 3.356 20 10 CGCDMN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CC1 ZINC000037322938 798866863 /nfs/dbraw/zinc/86/68/63/798866863.db2.gz NFMSEGYEUKUOPT-UHFFFAOYSA-N 0 1 267.756 3.233 20 10 CGCDMN Cc1cc(O)c(CN2C[C@@H](C)OC[C@@H]2C)cc1C(C)C ZINC000045723096 798891689 /nfs/dbraw/zinc/89/16/89/798891689.db2.gz IOTYHAKAFMYRJL-UONOGXRCSA-N 0 1 277.408 3.433 20 10 CGCDMN C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1ccc2ccccc2c1[O-] ZINC000393971386 799492465 /nfs/dbraw/zinc/49/24/65/799492465.db2.gz MTSDLHLLAXUCDM-VXGBXAGGSA-N 0 1 273.376 3.355 20 10 CGCDMN COCC[N@@H+](CCF)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000697054349 799842598 /nfs/dbraw/zinc/84/25/98/799842598.db2.gz DWCGLQDGVQRVJL-UHFFFAOYSA-N 0 1 296.169 3.117 20 10 CGCDMN C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701044230 799883247 /nfs/dbraw/zinc/88/32/47/799883247.db2.gz PEGAOQBSYIFQHI-JOYOIKCWSA-N 0 1 284.197 3.433 20 10 CGCDMN COC1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000703834447 799931091 /nfs/dbraw/zinc/93/10/91/799931091.db2.gz AECNWXFGMVZVKN-QFWMXSHPSA-N 0 1 267.344 3.140 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+][C@]12C[C@H]1CCC2 ZINC000706804651 799966052 /nfs/dbraw/zinc/96/60/52/799966052.db2.gz MWBYHABVRRPXLB-NOZJJQNGSA-N 0 1 282.181 3.187 20 10 CGCDMN CC[C@@H](C)[N@@H+](C)Cc1c([O-])cccc1Br ZINC000707129668 799973930 /nfs/dbraw/zinc/97/39/30/799973930.db2.gz OWLKDVJUVOCFOL-SECBINFHSA-N 0 1 272.186 3.385 20 10 CGCDMN CC[C@@H](C)[N@H+](C)Cc1c([O-])cccc1Br ZINC000707129668 799973926 /nfs/dbraw/zinc/97/39/26/799973926.db2.gz OWLKDVJUVOCFOL-SECBINFHSA-N 0 1 272.186 3.385 20 10 CGCDMN CC[N@@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708134735 799983723 /nfs/dbraw/zinc/98/37/23/799983723.db2.gz UAPAVEUIJZMDRK-UHFFFAOYSA-N 0 1 278.577 3.260 20 10 CGCDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000708382651 799986770 /nfs/dbraw/zinc/98/67/70/799986770.db2.gz GNTVWRJDQIUIIU-YGRLFVJLSA-N 0 1 267.319 3.435 20 10 CGCDMN Nc1ccc(CNc2ccc3c(n2)CCCC3)cc1 ZINC000712384409 800086269 /nfs/dbraw/zinc/08/62/69/800086269.db2.gz ZZFZOQSMNIMKCN-UHFFFAOYSA-N 0 1 253.349 3.155 20 10 CGCDMN CC1([NH2+]Cc2cc(Cl)ccc2[O-])CC(F)(F)C1 ZINC000720924618 800272101 /nfs/dbraw/zinc/27/21/01/800272101.db2.gz YBKUTINMWXMIMG-UHFFFAOYSA-N 0 1 261.699 3.323 20 10 CGCDMN CC(C)[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001116507826 802368500 /nfs/dbraw/zinc/36/85/00/802368500.db2.gz UYHUNSFGBAARAS-SFHVURJKSA-N 0 1 288.435 3.144 20 10 CGCDMN CC[C@@H](NCc1ccc(N)cc1)c1c(C)noc1C ZINC001120269054 802737406 /nfs/dbraw/zinc/73/74/06/802737406.db2.gz MECYIWQFQPXDHV-CQSZACIVSA-N 0 1 259.353 3.115 20 10 CGCDMN CCCCCC[NH+]1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001138127687 803863246 /nfs/dbraw/zinc/86/32/46/803863246.db2.gz MKDAAUYDZLNVKU-UHFFFAOYSA-N 0 1 294.414 3.229 20 10 CGCDMN CCCCN1CCC([N@H+](C)Cc2cccc(F)c2[O-])CC1 ZINC001138130547 803865929 /nfs/dbraw/zinc/86/59/29/803865929.db2.gz CMOOODZNAFSGND-UHFFFAOYSA-N 0 1 294.414 3.228 20 10 CGCDMN CCCCN1CCC([N@@H+](C)Cc2cccc(F)c2[O-])CC1 ZINC001138130547 803865936 /nfs/dbraw/zinc/86/59/36/803865936.db2.gz CMOOODZNAFSGND-UHFFFAOYSA-N 0 1 294.414 3.228 20 10 CGCDMN C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354967 803901438 /nfs/dbraw/zinc/90/14/38/803901438.db2.gz XACFSOABWCQFLF-IUODEOHRSA-N 0 1 262.372 3.001 20 10 CGCDMN C[C@@H]1C[C@@H](F)CN1Cc1ccc2c(c1)CCCN2C ZINC001138354967 803901443 /nfs/dbraw/zinc/90/14/43/803901443.db2.gz XACFSOABWCQFLF-IUODEOHRSA-N 0 1 262.372 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/nfs/dbraw/zinc/29/84/79/818298479.db2.gz QZSGYOZBJRILBT-SNVBAGLBSA-N 0 1 269.772 3.286 20 10 CGCDMN C[N@H+](CCc1cccs1)Cc1cc(Cl)c([O-])cc1O ZINC001232269128 818300230 /nfs/dbraw/zinc/30/02/30/818300230.db2.gz WJTYEMZYQNRBBN-UHFFFAOYSA-N 0 1 297.807 3.487 20 10 CGCDMN C[N@@H+](CCc1cccs1)Cc1cc(Cl)c([O-])cc1O ZINC001232269128 818300237 /nfs/dbraw/zinc/30/02/37/818300237.db2.gz WJTYEMZYQNRBBN-UHFFFAOYSA-N 0 1 297.807 3.487 20 10 CGCDMN COC[C@@H]1CCC[N@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415816 818613232 /nfs/dbraw/zinc/61/32/32/818613232.db2.gz JDVDHPQYDZSVGM-NSHDSACASA-N 0 1 289.297 3.022 20 10 CGCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001233454591 818623269 /nfs/dbraw/zinc/62/32/69/818623269.db2.gz AQTGFAZUKSBATN-CNDDSTCGSA-N 0 1 289.272 3.058 20 10 CGCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001233454591 818623271 /nfs/dbraw/zinc/62/32/71/818623271.db2.gz AQTGFAZUKSBATN-CNDDSTCGSA-N 0 1 289.272 3.058 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@H](CO)C2)cccc1-c1ccccc1 ZINC001234993568 818972843 /nfs/dbraw/zinc/97/28/43/818972843.db2.gz ZBTZXBIGLYNAFI-OAHLLOKOSA-N 0 1 297.398 3.264 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](CO)C2)cccc1-c1ccccc1 ZINC001234993568 818972848 /nfs/dbraw/zinc/97/28/48/818972848.db2.gz ZBTZXBIGLYNAFI-OAHLLOKOSA-N 0 1 297.398 3.264 20 10 CGCDMN CC(C)(C)c1ccc(C[N@H+]2CCC[C@]3(CCO3)C2)c(O)c1 ZINC001235680234 819140635 /nfs/dbraw/zinc/14/06/35/819140635.db2.gz TXURHYQUPZJECC-SFHVURJKSA-N 0 1 289.419 3.445 20 10 CGCDMN C[C@@H]1CC[C@@H]([NH3+])CN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001235907540 819217929 /nfs/dbraw/zinc/21/79/29/819217929.db2.gz QLALXRCLWKFPIT-PSASIEDQSA-N 0 1 289.206 3.011 20 10 CGCDMN CCc1ccc(CN2CCC(=O)[C@H]3CCCC[C@H]32)c(O)c1 ZINC001236783980 819594671 /nfs/dbraw/zinc/59/46/71/819594671.db2.gz QPDCEPOTAAEGMR-JKSUJKDBSA-N 0 1 287.403 3.288 20 10 CGCDMN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001236789372 819595246 /nfs/dbraw/zinc/59/52/46/819595246.db2.gz FLNMFOJFKDZKQP-OCAPTIKFSA-N 0 1 258.148 3.151 20 10 CGCDMN CC[C@@H]1CCC[N@@H+]1Cc1c([O-])cc(OC)cc1Cl ZINC001236798946 819599506 /nfs/dbraw/zinc/59/95/06/819599506.db2.gz JZULLKVDODOKCL-SNVBAGLBSA-N 0 1 269.772 3.429 20 10 CGCDMN CC[C@@H]1CCC[N@H+]1Cc1c([O-])cc(OC)cc1Cl ZINC001236798946 819599512 /nfs/dbraw/zinc/59/95/12/819599512.db2.gz JZULLKVDODOKCL-SNVBAGLBSA-N 0 1 269.772 3.429 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[NH+]1CCC2(CCCO2)CC1 ZINC001237126986 819673938 /nfs/dbraw/zinc/67/39/38/819673938.db2.gz RNVYFWNYMXUBNQ-UHFFFAOYSA-N 0 1 299.773 3.330 20 10 CGCDMN COc1cc2c(cc1OC)CN(Cc1c(C)cccc1O)C2 ZINC001237494263 819764308 /nfs/dbraw/zinc/76/43/08/819764308.db2.gz GVBDTYJIVMGBIQ-UHFFFAOYSA-N 0 1 299.370 3.234 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC(F)(F)C1 ZINC001237616070 819787352 /nfs/dbraw/zinc/78/73/52/819787352.db2.gz CWZSBUVXNPGPIS-UHFFFAOYSA-N 0 1 279.689 3.414 20 10 CGCDMN Cc1cc(Cl)cc(CN(C)Cc2cnc(C)nc2)c1O ZINC001237689096 819808976 /nfs/dbraw/zinc/80/89/76/819808976.db2.gz MNQSQLUQSKCLRV-UHFFFAOYSA-N 0 1 291.782 3.084 20 10 CGCDMN C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804428 819845848 /nfs/dbraw/zinc/84/58/48/819845848.db2.gz DLTJGBMGXOYFLE-KWQFWETISA-N 0 1 275.726 3.365 20 10 CGCDMN CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C1(C)C ZINC001461880593 937603896 /nfs/dbraw/zinc/60/38/96/937603896.db2.gz KATBCSVIPPUXFD-GDBMZVCRSA-N 0 1 299.361 3.306 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]1C ZINC001462128765 937619686 /nfs/dbraw/zinc/61/96/86/937619686.db2.gz VCARGDBMEOGGAB-NXEZZACHSA-N 0 1 255.308 3.291 20 10 CGCDMN CSc1ccccc1NC(=S)NCc1cccn1C ZINC001249708530 932716480 /nfs/dbraw/zinc/71/64/80/932716480.db2.gz LKCRROUJKWCOFF-UHFFFAOYSA-N 0 1 291.445 3.234 20 10 CGCDMN CC[N@@H+](Cc1c(C)cc(OC)cc1[O-])CC1CCC1 ZINC001462143863 937620858 /nfs/dbraw/zinc/62/08/58/937620858.db2.gz CVEBPCNIKJXFNK-UHFFFAOYSA-N 0 1 263.381 3.331 20 10 CGCDMN CC[N@H+](Cc1c(C)cc(OC)cc1[O-])CC1CCC1 ZINC001462143863 937620859 /nfs/dbraw/zinc/62/08/59/937620859.db2.gz CVEBPCNIKJXFNK-UHFFFAOYSA-N 0 1 263.381 3.331 20 10 CGCDMN COCC[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CC[C@H](C)C1 ZINC001462173294 937622637 /nfs/dbraw/zinc/62/26/37/937622637.db2.gz BOIDWXYUPZKUSI-FZMZJTMJSA-N 0 1 299.361 3.307 20 10 CGCDMN CC(C)c1ccc(O)c(CN2CCOC3(CCC3)C2)c1 ZINC001308599131 933140184 /nfs/dbraw/zinc/14/01/84/933140184.db2.gz KUMSLFRKIVOFPF-UHFFFAOYSA-N 0 1 275.392 3.271 20 10 CGCDMN CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC001320072073 933993451 /nfs/dbraw/zinc/99/34/51/933993451.db2.gz QWBCIWJBKWCLON-KBPBESRZSA-N 0 1 282.815 3.008 20 10 CGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001326976794 935018724 /nfs/dbraw/zinc/01/87/24/935018724.db2.gz IJAQAQBSPISYIA-NXEZZACHSA-N 0 1 257.736 3.416 20 10 CGCDMN COc1cc(C)cc(CNCc2ccc(Cl)cn2)c1O ZINC001331568772 935394479 /nfs/dbraw/zinc/39/44/79/935394479.db2.gz ZYEJINZRHDILID-UHFFFAOYSA-N 0 1 292.766 3.047 20 10 CGCDMN Cc1cc(O)c(CN2CC(CC(F)F)C2)cc1Cl ZINC001333908981 936074888 /nfs/dbraw/zinc/07/48/88/936074888.db2.gz SOAIDEUTXPZXJT-UHFFFAOYSA-N 0 1 275.726 3.441 20 10 CGCDMN O=C(Nc1ccc(C(F)F)cc1)c1c(F)ccc(O)c1O ZINC001559039422 938219268 /nfs/dbraw/zinc/21/92/68/938219268.db2.gz WPSIZLDQARLXSM-UHFFFAOYSA-N 0 1 297.232 3.427 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)cc1Cl ZINC001560961287 938286542 /nfs/dbraw/zinc/28/65/42/938286542.db2.gz DUQXOTRXIYNHGL-ZIAGYGMSSA-N 0 1 297.826 3.383 20 10 CGCDMN CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC001603106672 972180059 /nfs/dbraw/zinc/18/00/59/972180059.db2.gz BOHPPBSEJVXLMB-LRDDRELGSA-N 0 1 291.391 3.201 20 10 CGCDMN C[C@]1(c2ccccc2)CN(Cc2ccc(N)cc2)CCO1 ZINC001576561350 962468898 /nfs/dbraw/zinc/46/88/98/962468898.db2.gz KLLWIPUKLOJKDD-GOSISDBHSA-N 0 1 282.387 3.016 20 10 CGCDMN CN(C)c1ccc(CN(C)Cc2cnn3ccccc23)cc1 ZINC000178864403 346252425 /nfs/dbraw/zinc/25/24/25/346252425.db2.gz XYGCWVRSYRWPGI-UHFFFAOYSA-N 0 1 294.402 3.032 20 10 CGCDMN CCN(Cc1cccc(Cl)c1O)CC(F)(F)F ZINC000124549109 370925698 /nfs/dbraw/zinc/92/56/98/370925698.db2.gz ZSYLBDPWAXMISE-UHFFFAOYSA-N 0 1 267.678 3.430 20 10 CGCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCCCO1 ZINC000124570226 370926323 /nfs/dbraw/zinc/92/63/23/370926323.db2.gz WQOPDHNLOCMPBL-GFCCVEGCSA-N 0 1 269.772 3.047 20 10 CGCDMN Cc1cnc([C@@H](C)NCc2cccc(C)c2O)s1 ZINC000135782681 371448593 /nfs/dbraw/zinc/44/85/93/371448593.db2.gz CZYZPVLJQCDOEF-LLVKDONJSA-N 0 1 262.378 3.316 20 10 CGCDMN C[C@H](CCCCO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000296579486 373184183 /nfs/dbraw/zinc/18/41/83/373184183.db2.gz UFNMZMPMPQWABI-GHMZBOCLSA-N 0 1 271.788 3.247 20 10 CGCDMN CC[C@](C)(NCc1cc(F)ccc1O)c1nccs1 ZINC000180772408 374044279 /nfs/dbraw/zinc/04/42/79/374044279.db2.gz XXFJOJFNLDIXTG-AWEZNQCLSA-N 0 1 280.368 3.403 20 10 CGCDMN COc1cccc(CN2CCc3cc(F)ccc3C2)c1O ZINC000181447050 374125144 /nfs/dbraw/zinc/12/51/44/374125144.db2.gz WZYJJILEOJAUEJ-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN CC[C@](C)(NCc1cc(OC)ccc1O)c1nccs1 ZINC000182371710 374266374 /nfs/dbraw/zinc/26/63/74/374266374.db2.gz MQHNDAHPEZEWCU-HNNXBMFYSA-N 0 1 292.404 3.272 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])CCS1 ZINC000190689120 375530591 /nfs/dbraw/zinc/53/05/91/375530591.db2.gz AXSHYHIYWPOEKY-JTQLQIEISA-N 0 1 271.813 3.373 20 10 CGCDMN C[C@@H]([NH2+]CCCn1ccnc1)c1ccc2ccccc2c1[O-] ZINC000193111842 375827404 /nfs/dbraw/zinc/82/74/04/375827404.db2.gz JZLNVOPVRDONSI-CQSZACIVSA-N 0 1 295.386 3.483 20 10 CGCDMN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271361006 378488819 /nfs/dbraw/zinc/48/88/19/378488819.db2.gz NFYXPLLMCGDSOJ-UAGQMJEPSA-N 0 1 289.419 3.418 20 10 CGCDMN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271361006 378488822 /nfs/dbraw/zinc/48/88/22/378488822.db2.gz NFYXPLLMCGDSOJ-UAGQMJEPSA-N 0 1 289.419 3.418 20 10 CGCDMN C[C@@H]([NH2+]Cc1ccn(C)c1)c1cc(Cl)ccc1[O-] ZINC000273615803 378756351 /nfs/dbraw/zinc/75/63/51/378756351.db2.gz XIKZXGRNPNUUSH-SNVBAGLBSA-N 0 1 264.756 3.235 20 10 CGCDMN Cc1cc(O)c(CN2CCCC[C@@H]2c2cc[nH]n2)cc1C ZINC000285242770 380145909 /nfs/dbraw/zinc/14/59/09/380145909.db2.gz ZQIMVSWPUFZOPM-MRXNPFEDSA-N 0 1 285.391 3.459 20 10 CGCDMN Cc1ccc(O)c(CN2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768562 392239324 /nfs/dbraw/zinc/23/93/24/392239324.db2.gz MJCDMHCWNNPUDU-INIZCTEOSA-N 0 1 289.400 3.336 20 10 CGCDMN Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121218141 392410427 /nfs/dbraw/zinc/41/04/27/392410427.db2.gz UTQUXQVYOQHHLW-NSHDSACASA-N 0 1 291.782 3.148 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121218141 392410432 /nfs/dbraw/zinc/41/04/32/392410432.db2.gz UTQUXQVYOQHHLW-NSHDSACASA-N 0 1 291.782 3.148 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121218141 392410438 /nfs/dbraw/zinc/41/04/38/392410438.db2.gz UTQUXQVYOQHHLW-NSHDSACASA-N 0 1 291.782 3.148 20 10 CGCDMN Cc1csc(C(C)(C)NCc2cc(F)ccc2O)n1 ZINC000180730243 392714073 /nfs/dbraw/zinc/71/40/73/392714073.db2.gz MMOOSQGUXGYVID-UHFFFAOYSA-N 0 1 280.368 3.321 20 10 CGCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccn1 ZINC000020123507 171004976 /nfs/dbraw/zinc/00/49/76/171004976.db2.gz YVZBXGAAYCGBRF-SNVBAGLBSA-N 0 1 262.740 3.291 20 10 CGCDMN CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000092391923 260270359 /nfs/dbraw/zinc/27/03/59/260270359.db2.gz YAQLFLQZTOTBQF-MLGOLLRUSA-N 0 1 273.376 3.213 20 10 CGCDMN Cc1ccc(O)c(CN2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000092729735 260499509 /nfs/dbraw/zinc/49/95/09/260499509.db2.gz IMKOBUZDQSSLDJ-CQSZACIVSA-N 0 1 271.364 3.151 20 10 CGCDMN CCn1cc([C@H](C)NCc2ccc(OC)c(C)c2)cn1 ZINC000155408628 261101586 /nfs/dbraw/zinc/10/15/86/261101586.db2.gz JIHCJAKDVVCMID-ZDUSSCGKSA-N 0 1 273.380 3.071 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000179878422 261820986 /nfs/dbraw/zinc/82/09/86/261820986.db2.gz HLYKRDGFWXVJSO-CQSZACIVSA-N 0 1 294.826 3.106 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000179878422 261820988 /nfs/dbraw/zinc/82/09/88/261820988.db2.gz HLYKRDGFWXVJSO-CQSZACIVSA-N 0 1 294.826 3.106 20 10 CGCDMN C[C@H]([NH2+]CCCc1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000185312985 262049790 /nfs/dbraw/zinc/04/97/90/262049790.db2.gz PQRFYKCRFKCWTM-NSHDSACASA-N 0 1 293.798 3.063 20 10 CGCDMN CCC[N@@H+](CCc1cscn1)Cc1ccccc1O ZINC000295066525 263171832 /nfs/dbraw/zinc/17/18/32/263171832.db2.gz PVYOYOGAXILJFL-UHFFFAOYSA-N 0 1 276.405 3.303 20 10 CGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000377195037 268054708 /nfs/dbraw/zinc/05/47/08/268054708.db2.gz CLAZEEINUWFCOZ-QWRGUYRKSA-N 0 1 299.773 3.043 20 10 CGCDMN C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000184854999 327834191 /nfs/dbraw/zinc/83/41/91/327834191.db2.gz OPOGNFCHJOVNBU-MEDUHNTESA-N 0 1 291.778 3.430 20 10 CGCDMN C[C@@H](NCc1ccccc1O)c1nccn1-c1ccccc1 ZINC000377410365 329014724 /nfs/dbraw/zinc/01/47/24/329014724.db2.gz XDWSNHVZRROHGN-CQSZACIVSA-N 0 1 293.370 3.429 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000378503335 329053264 /nfs/dbraw/zinc/05/32/64/329053264.db2.gz ZCOHJUUQHIIINM-LLVKDONJSA-N 0 1 261.296 3.114 20 10 CGCDMN CCCN(Cc1ccccc1O)C(=O)c1cc(C2CC2)[nH]n1 ZINC000299684810 521689604 /nfs/dbraw/zinc/68/96/04/521689604.db2.gz UPVGUSQUYAXYJS-UHFFFAOYSA-N 0 1 299.374 3.045 20 10 CGCDMN CC[C@H](C)c1nnc([C@H](C)N[C@H](C)c2ccccc2O)[nH]1 ZINC000277110061 522055595 /nfs/dbraw/zinc/05/55/95/522055595.db2.gz HVQIUUGSNREDMH-TUAOUCFPSA-N 0 1 288.395 3.436 20 10 CGCDMN Cc1ncsc1C[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000738160363 572365205 /nfs/dbraw/zinc/36/52/05/572365205.db2.gz IMVXGZVCZPFEJR-UHFFFAOYSA-N 0 1 299.399 3.337 20 10 CGCDMN Cc1ncsc1C[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000738160363 572365210 /nfs/dbraw/zinc/36/52/10/572365210.db2.gz IMVXGZVCZPFEJR-UHFFFAOYSA-N 0 1 299.399 3.337 20 10 CGCDMN O=C(Nc1cccc(Cl)c1O)C1=CC(=O)CS1 ZINC000736682675 572804756 /nfs/dbraw/zinc/80/47/56/572804756.db2.gz NCUNYLLXXACPPB-UHFFFAOYSA-N 0 1 269.709 3.065 20 10 CGCDMN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)c1ccncc1 ZINC000749295952 572991830 /nfs/dbraw/zinc/99/18/30/572991830.db2.gz LBKQRDKTBMSKAR-NSHDSACASA-N 0 1 276.767 3.334 20 10 CGCDMN Cc1cc(O)c(C[N@H+](C)C2(C(=O)[O-])CCCCC2)cc1C ZINC000833746774 604643142 /nfs/dbraw/zinc/64/31/42/604643142.db2.gz IEEHPQKWXFMHBR-UHFFFAOYSA-N 0 1 291.391 3.228 20 10 CGCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H]2CC(=O)[O-])cc1C(C)C ZINC000832900188 604979455 /nfs/dbraw/zinc/97/94/55/604979455.db2.gz SBPONEXBORDIHN-CQSZACIVSA-N 0 1 291.391 3.263 20 10 CGCDMN CN(Cc1ccccc1O)C(=O)c1ccc(O)c(Cl)c1 ZINC000077258270 618159677 /nfs/dbraw/zinc/15/96/77/618159677.db2.gz XZVPNIYFACLONW-UHFFFAOYSA-N 0 1 291.734 3.023 20 10 CGCDMN [O-]c1ccc(Br)cc1C[NH2+]CCC1CCC1 ZINC000165847359 618900760 /nfs/dbraw/zinc/90/07/60/618900760.db2.gz DPDNLVFEGRZEGG-UHFFFAOYSA-N 0 1 284.197 3.435 20 10 CGCDMN CC[C@H]([NH2+]CC1(O)CCC1)c1cc(Cl)ccc1[O-] ZINC000775503215 619074758 /nfs/dbraw/zinc/07/47/58/619074758.db2.gz DLDZYKNDNMNLIW-LBPRGKRZSA-N 0 1 269.772 3.001 20 10 CGCDMN Cc1cncc(C[NH2+]Cc2c([O-])cc(C)cc2Cl)c1 ZINC000840906849 619112171 /nfs/dbraw/zinc/11/21/71/619112171.db2.gz JIVQQZZEMASDCL-UHFFFAOYSA-N 0 1 276.767 3.347 20 10 CGCDMN C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000105446973 619237001 /nfs/dbraw/zinc/23/70/01/619237001.db2.gz ASNNTCLOZBGMLA-LLVKDONJSA-N 0 1 291.778 3.472 20 10 CGCDMN CCc1nocc1CN(C)Cc1ccc(N(C)C)cc1C ZINC000840949571 619251926 /nfs/dbraw/zinc/25/19/26/619251926.db2.gz YFROMHHEIBHQED-UHFFFAOYSA-N 0 1 287.407 3.243 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c(Cl)c1 ZINC000840965066 619285025 /nfs/dbraw/zinc/28/50/25/619285025.db2.gz ZZBODYBJLSCWSL-UTUOFQBUSA-N 0 1 283.799 3.257 20 10 CGCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC=CCC1 ZINC000894424688 619531047 /nfs/dbraw/zinc/53/10/47/619531047.db2.gz YUMICQBXLSYBDF-UHFFFAOYSA-N 0 1 286.144 3.056 20 10 CGCDMN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC=CCC1 ZINC000894424688 619531053 /nfs/dbraw/zinc/53/10/53/619531053.db2.gz 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CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000183058908 625043374 /nfs/dbraw/zinc/04/33/74/625043374.db2.gz FKFKXPCTAZEYKL-NXEZZACHSA-N 0 1 267.344 3.258 20 10 CGCDMN C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)[C@H]1C ZINC000751945177 626412528 /nfs/dbraw/zinc/41/25/28/626412528.db2.gz YHIGYJPDTDKMRN-RYUDHWBXSA-N 0 1 256.349 3.171 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)[C@H]1C ZINC000751945177 626412530 /nfs/dbraw/zinc/41/25/30/626412530.db2.gz YHIGYJPDTDKMRN-RYUDHWBXSA-N 0 1 256.349 3.171 20 10 CGCDMN CC(C)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000755921213 626660397 /nfs/dbraw/zinc/66/03/97/626660397.db2.gz NQXQHBCTIWYQAN-AWEZNQCLSA-N 0 1 270.376 3.418 20 10 CGCDMN CC(C)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000755921213 626660400 /nfs/dbraw/zinc/66/04/00/626660400.db2.gz NQXQHBCTIWYQAN-AWEZNQCLSA-N 0 1 270.376 3.418 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]CC2CCOCC2)c2c1c(F)ccc2[O-] ZINC000756510497 626711375 /nfs/dbraw/zinc/71/13/75/626711375.db2.gz 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/nfs/dbraw/zinc/09/94/43/628099443.db2.gz CTYMWSYHEPODLV-MFKMUULPSA-N 0 1 271.788 3.369 20 10 CGCDMN CC[C@H](CCO)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775513907 628102908 /nfs/dbraw/zinc/10/29/08/628102908.db2.gz WFANCYIMARHQEL-RISCZKNCSA-N 0 1 285.815 3.495 20 10 CGCDMN CC[C@H]([NH2+]CCC[C@H](C)CO)c1cc(Cl)ccc1[O-] ZINC000775527376 628104328 /nfs/dbraw/zinc/10/43/28/628104328.db2.gz WOOOIYIKSMYDKQ-FZMZJTMJSA-N 0 1 285.815 3.495 20 10 CGCDMN CC[C@@H]([NH2+]CCc1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000775556540 628106426 /nfs/dbraw/zinc/10/64/26/628106426.db2.gz ZUZOWJGEGSFXPH-CQSZACIVSA-N 0 1 293.798 3.063 20 10 CGCDMN CCn1cc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC000775701434 628127298 /nfs/dbraw/zinc/12/72/98/628127298.db2.gz VYQXTRCHVOVUSX-UHFFFAOYSA-N 0 1 297.761 3.033 20 10 CGCDMN CCN1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775715543 628128273 /nfs/dbraw/zinc/12/82/73/628128273.db2.gz GPKOUOJLSQHUGI-GXTWGEPZSA-N 0 1 296.842 3.350 20 10 CGCDMN CCN1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000775715543 628128278 /nfs/dbraw/zinc/12/82/78/628128278.db2.gz GPKOUOJLSQHUGI-GXTWGEPZSA-N 0 1 296.842 3.350 20 10 CGCDMN CC(C)[C@H]1CC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000775765088 628134640 /nfs/dbraw/zinc/13/46/40/628134640.db2.gz NFIONKGWRYWJNX-GFCCVEGCSA-N 0 1 284.197 3.385 20 10 CGCDMN CC(C)[C@H]1CC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000775765088 628134642 /nfs/dbraw/zinc/13/46/42/628134642.db2.gz NFIONKGWRYWJNX-GFCCVEGCSA-N 0 1 284.197 3.385 20 10 CGCDMN Cc1ncc(CC[NH2+]Cc2c([O-])cccc2Cl)s1 ZINC000776252184 628184522 /nfs/dbraw/zinc/18/45/22/628184522.db2.gz OVMOUZPQLCWFKB-UHFFFAOYSA-N 0 1 282.796 3.143 20 10 CGCDMN C[C@@H](N[C@@H](C)c1ncnn1C)c1ccc2ccccc2c1O ZINC000788983243 629093995 /nfs/dbraw/zinc/09/39/95/629093995.db2.gz KYYZRRZIRLPASY-NEPJUHHUSA-N 0 1 296.374 3.086 20 10 CGCDMN CCOc1ccc(CN(C)Cc2ccc(C)cn2)c(O)c1 ZINC000789594890 629149588 /nfs/dbraw/zinc/14/95/88/629149588.db2.gz OUNDITSHJDAXAD-UHFFFAOYSA-N 0 1 286.375 3.126 20 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274.339 3.476 20 10 CGCDMN C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000797066938 629881328 /nfs/dbraw/zinc/88/13/28/629881328.db2.gz VHXXMRMIOKVYGZ-VDDIYKPWSA-N 0 1 271.813 3.448 20 10 CGCDMN CC1=C[C@H](C)C[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000797604753 629970317 /nfs/dbraw/zinc/97/03/17/629970317.db2.gz IKWAQTXGBNXKHU-JTQLQIEISA-N 0 1 251.757 3.444 20 10 CGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000798963742 630130879 /nfs/dbraw/zinc/13/08/79/630130879.db2.gz IWDKXHCDPSAKEG-LBPRGKRZSA-N 0 1 288.778 3.430 20 10 CGCDMN CC(C)(C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806560118 630566963 /nfs/dbraw/zinc/56/69/63/630566963.db2.gz JOAFDXFCVWDAAC-UHFFFAOYSA-N 0 1 291.178 3.297 20 10 CGCDMN O=C(CC1CC1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837836 630600289 /nfs/dbraw/zinc/60/02/89/630600289.db2.gz DYQANLXWESYHFY-UHFFFAOYSA-N 0 1 274.147 3.115 20 10 CGCDMN Cc1nccc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000808086484 630621520 /nfs/dbraw/zinc/62/15/20/630621520.db2.gz CVLNRKIOEZHUCE-UHFFFAOYSA-N 0 1 284.146 3.410 20 10 CGCDMN CC[C@H]([NH2+]CCN(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239641 630857836 /nfs/dbraw/zinc/85/78/36/630857836.db2.gz FMEPEBCKAAQPBB-LBPRGKRZSA-N 0 1 290.329 3.013 20 10 CGCDMN Oc1ccccc1CNCc1ccnc(Cl)c1Cl ZINC000811477355 631071835 /nfs/dbraw/zinc/07/18/35/631071835.db2.gz OJFNDZOBQSGOKV-UHFFFAOYSA-N 0 1 283.158 3.384 20 10 CGCDMN Cc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1[O-] ZINC000811519366 631083715 /nfs/dbraw/zinc/08/37/15/631083715.db2.gz VORWYPXZBMLYAB-HNNXBMFYSA-N 0 1 297.826 3.241 20 10 CGCDMN COc1ccc(O)c(CNc2cc3c(cn2)CCCC3)c1 ZINC000812782307 631307900 /nfs/dbraw/zinc/30/79/00/631307900.db2.gz VZHGYCJQTTZDKZ-UHFFFAOYSA-N 0 1 284.359 3.287 20 10 CGCDMN CC[C@H]1CC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000814178825 631539668 /nfs/dbraw/zinc/53/96/68/631539668.db2.gz DWMSGCZRKLZDDR-JTQLQIEISA-N 0 1 270.170 3.139 20 10 CGCDMN Cc1cccc(CN(C)Cc2ccc(N(C)C)c(C)c2)n1 ZINC000815071618 631711377 /nfs/dbraw/zinc/71/13/77/631711377.db2.gz NHBUAUXAHQKNIN-UHFFFAOYSA-N 0 1 283.419 3.396 20 10 CGCDMN C[C@H]1N(Cc2cc(Cl)c(F)cc2O)CCOC1(C)C ZINC000816513148 631999807 /nfs/dbraw/zinc/99/98/07/631999807.db2.gz IBIUDCSMQIEFAF-SECBINFHSA-N 0 1 287.762 3.184 20 10 CGCDMN CC(C)[C@@H]1CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816528254 632004038 /nfs/dbraw/zinc/00/40/38/632004038.db2.gz SYXNRBZIWTVLJI-LBPRGKRZSA-N 0 1 257.736 3.415 20 10 CGCDMN CC(C)C[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816543814 632007160 /nfs/dbraw/zinc/00/71/60/632007160.db2.gz OVKYZMLXZKMKKA-OAHLLOKOSA-N 0 1 273.376 3.042 20 10 CGCDMN CCC(CC)[C@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816551911 632008523 /nfs/dbraw/zinc/00/85/23/632008523.db2.gz UJCSUFBEKQZDMA-QGZVFWFLSA-N 0 1 287.403 3.432 20 10 CGCDMN [O-]c1c(C[NH2+]CC[C@H]2CCOC2)ccc2ccccc21 ZINC000816567962 632014186 /nfs/dbraw/zinc/01/41/86/632014186.db2.gz QJWXWNANBGDCDA-ZDUSSCGKSA-N 0 1 271.360 3.062 20 10 CGCDMN C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@H](C2CC2)O1 ZINC000816594953 632018994 /nfs/dbraw/zinc/01/89/94/632018994.db2.gz UODJGUGUPYDDTE-BJOHPYRUSA-N 0 1 299.773 3.184 20 10 CGCDMN [O-]c1c(C[NH+]2CC([C@H]3CCOC3)C2)ccc2ccccc21 ZINC000816594760 632019619 /nfs/dbraw/zinc/01/96/19/632019619.db2.gz OLGDXKIXAPARQW-HNNXBMFYSA-N 0 1 283.371 3.014 20 10 CGCDMN [O-]c1c(C[NH+]2CC([C@@H]3CCOC3)C2)ccc2ccccc21 ZINC000816594761 632020077 /nfs/dbraw/zinc/02/00/77/632020077.db2.gz OLGDXKIXAPARQW-OAHLLOKOSA-N 0 1 283.371 3.014 20 10 CGCDMN COc1cccc(C[NH2+]Cc2cccc([O-])c2Cl)c1O ZINC000816610271 632022375 /nfs/dbraw/zinc/02/23/75/632022375.db2.gz FBGHTCHJTKGIIU-UHFFFAOYSA-N 0 1 293.750 3.050 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000818237913 632301448 /nfs/dbraw/zinc/30/14/48/632301448.db2.gz DBTVXTVRZARMIS-JGPRNRPPSA-N 0 1 251.757 3.242 20 10 CGCDMN C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc(Cl)ccc1[O-] ZINC000818360210 632315198 /nfs/dbraw/zinc/31/51/98/632315198.db2.gz OGLDQTBXPLJZPT-GUDRVLHUSA-N 0 1 251.757 3.495 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000865779596 632888203 /nfs/dbraw/zinc/88/82/03/632888203.db2.gz YSYQMPPBFGCOGT-ZDUSSCGKSA-N 0 1 295.810 3.342 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@@H](O)C(F)(F)F ZINC000866462963 633145293 /nfs/dbraw/zinc/14/52/93/633145293.db2.gz FGKMRBWDPDVUAI-MVKOHCKWSA-N 0 1 297.704 3.008 20 10 CGCDMN CC(C)[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1COC1 ZINC000824472475 633249255 /nfs/dbraw/zinc/24/92/55/633249255.db2.gz SFVONPFQFKMBRP-UHFFFAOYSA-N 0 1 290.190 3.308 20 10 CGCDMN CN(Cc1c(C2CCC2)cnn1C)Cc1ccccc1O ZINC000824594119 633262141 /nfs/dbraw/zinc/26/21/41/633262141.db2.gz ZNJMGNNKZLVSML-UHFFFAOYSA-N 0 1 285.391 3.025 20 10 CGCDMN Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824715174 633278410 /nfs/dbraw/zinc/27/84/10/633278410.db2.gz IVVXRCYNAWYIEH-SQWLQELKSA-N 0 1 295.810 3.171 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824715174 633278413 /nfs/dbraw/zinc/27/84/13/633278413.db2.gz IVVXRCYNAWYIEH-SQWLQELKSA-N 0 1 295.810 3.171 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824715174 633278416 /nfs/dbraw/zinc/27/84/16/633278416.db2.gz IVVXRCYNAWYIEH-SQWLQELKSA-N 0 1 295.810 3.171 20 10 CGCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1C ZINC000824815447 633293966 /nfs/dbraw/zinc/29/39/66/633293966.db2.gz PHADIHVQVBZQIB-RNCFNFMXSA-N 0 1 287.762 3.042 20 10 CGCDMN COc1cccc2c1C[N@@H+](Cc1cccc(F)c1[O-])CC2 ZINC000824983318 633314801 /nfs/dbraw/zinc/31/48/01/633314801.db2.gz UIAJCOHYRSYXRC-UHFFFAOYSA-N 0 1 287.334 3.098 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C(C)(C)c2cnn(C)c2)cc1Cl ZINC000825291364 633342178 /nfs/dbraw/zinc/34/21/78/633342178.db2.gz KBARNIVCDCYCBL-UHFFFAOYSA-N 0 1 293.798 3.112 20 10 CGCDMN CC1(C)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@@H]2COC[C@@H]21 ZINC000825331664 633347119 /nfs/dbraw/zinc/34/71/19/633347119.db2.gz KMMJKUXYDPLGHD-GXFFZTMASA-N 0 1 299.773 3.042 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H](C)C2)cc1Cl ZINC000825380274 633350949 /nfs/dbraw/zinc/35/09/49/633350949.db2.gz ZRROKCWPSWAINR-JQWIXIFHSA-N 0 1 269.772 3.011 20 10 CGCDMN COC1(C)CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825450480 633355217 /nfs/dbraw/zinc/35/52/17/633355217.db2.gz HIJATSXBPKNKGY-UHFFFAOYSA-N 0 1 283.799 3.355 20 10 CGCDMN CC1=CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825762462 633380390 /nfs/dbraw/zinc/38/03/90/633380390.db2.gz MJGPNDHQSUPZKF-UHFFFAOYSA-N 0 1 282.181 3.307 20 10 CGCDMN CC1=CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825762462 633380394 /nfs/dbraw/zinc/38/03/94/633380394.db2.gz MJGPNDHQSUPZKF-UHFFFAOYSA-N 0 1 282.181 3.307 20 10 CGCDMN CC1=CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000825762462 633380399 /nfs/dbraw/zinc/38/03/99/633380399.db2.gz MJGPNDHQSUPZKF-UHFFFAOYSA-N 0 1 282.181 3.307 20 10 CGCDMN CC1=CCCN(Cc2ccc(Br)cc2O)C1 ZINC000825762462 633380402 /nfs/dbraw/zinc/38/04/02/633380402.db2.gz MJGPNDHQSUPZKF-UHFFFAOYSA-N 0 1 282.181 3.307 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc1Cl ZINC000826122086 633406863 /nfs/dbraw/zinc/40/68/63/633406863.db2.gz XNRLGEIWZIGORI-WOPDTQHZSA-N 0 1 283.799 3.257 20 10 CGCDMN COCCCC[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000826130064 633407162 /nfs/dbraw/zinc/40/71/62/633407162.db2.gz DNOMVMCFGHOKJE-UHFFFAOYSA-N 0 1 271.788 3.212 20 10 CGCDMN COCCCC[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000826130064 633407165 /nfs/dbraw/zinc/40/71/65/633407165.db2.gz DNOMVMCFGHOKJE-UHFFFAOYSA-N 0 1 271.788 3.212 20 10 CGCDMN Oc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539749 633412518 /nfs/dbraw/zinc/41/25/18/633412518.db2.gz YPYYYTRCYHENDE-GWCFXTLKSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539749 633412522 /nfs/dbraw/zinc/41/25/22/633412522.db2.gz YPYYYTRCYHENDE-GWCFXTLKSA-N 0 1 251.757 3.420 20 10 CGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539749 633412525 /nfs/dbraw/zinc/41/25/25/633412525.db2.gz YPYYYTRCYHENDE-GWCFXTLKSA-N 0 1 251.757 3.420 20 10 CGCDMN CCC(O)(CC)C(C)(C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000826901927 633442089 /nfs/dbraw/zinc/44/20/89/633442089.db2.gz DWARTOFKRIHNMQ-UHFFFAOYSA-N 0 1 283.387 3.198 20 10 CGCDMN C[C@]12COC[C@H]1C[N@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000827284949 633477924 /nfs/dbraw/zinc/47/79/24/633477924.db2.gz WZDFZJHZOVXGCH-QAPCUYQASA-N 0 1 283.371 3.014 20 10 CGCDMN C[C@]12COC[C@H]1C[N@@H+](Cc1ccc3ccccc3c1[O-])C2 ZINC000827284949 633477925 /nfs/dbraw/zinc/47/79/25/633477925.db2.gz WZDFZJHZOVXGCH-QAPCUYQASA-N 0 1 283.371 3.014 20 10 CGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000827507289 633495355 /nfs/dbraw/zinc/49/53/55/633495355.db2.gz WZEPENOFYJPLDE-QWRGUYRKSA-N 0 1 296.208 3.305 20 10 CGCDMN C[C@H](NCc1ccc(N(C)C)cc1)c1cc(O)ccc1F ZINC000872017497 633938558 /nfs/dbraw/zinc/93/85/58/633938558.db2.gz ATRVSCXLXNXWPB-LBPRGKRZSA-N 0 1 288.366 3.448 20 10 CGCDMN CC[C@H]([NH2+]CC1=CCOCC1)c1cc(Cl)ccc1[O-] ZINC000834859813 634257872 /nfs/dbraw/zinc/25/78/72/634257872.db2.gz JOXIVHDLWUAZKT-AWEZNQCLSA-N 0 1 281.783 3.433 20 10 CGCDMN C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000834895641 634271915 /nfs/dbraw/zinc/27/19/15/634271915.db2.gz CLNORQDDHRUORB-GHMZBOCLSA-N 0 1 293.798 3.061 20 10 CGCDMN CCCc1ncc(CNC/C=C/c2ccc(N(C)C)cc2)o1 ZINC000835054304 634337918 /nfs/dbraw/zinc/33/79/18/634337918.db2.gz JGCMNFGAFCNXCP-FNORWQNLSA-N 0 1 299.418 3.496 20 10 CGCDMN [O-]c1c(C[N@@H+]2CCOc3ccccc3C2)ccc(F)c1F ZINC000876627333 634871279 /nfs/dbraw/zinc/87/12/79/634871279.db2.gz QSDBZYQYCZPYIJ-UHFFFAOYSA-N 0 1 291.297 3.065 20 10 CGCDMN [O-]c1c(C[N@H+]2CCOc3ccccc3C2)ccc(F)c1F ZINC000876627333 634871281 /nfs/dbraw/zinc/87/12/81/634871281.db2.gz QSDBZYQYCZPYIJ-UHFFFAOYSA-N 0 1 291.297 3.065 20 10 CGCDMN [O-]c1c(C[N@H+]2CCC[C@@H]2C2CCOCC2)ccc(F)c1F ZINC000877140577 635000416 /nfs/dbraw/zinc/00/04/16/635000416.db2.gz WOLBVXVJERIJSL-CQSZACIVSA-N 0 1 297.345 3.061 20 10 CGCDMN Oc1c(CN[C@H](C2CC2)C(F)(F)F)ccc(F)c1F ZINC000877534539 635076239 /nfs/dbraw/zinc/07/62/39/635076239.db2.gz COUJBSQBOWOBIA-LLVKDONJSA-N 0 1 281.224 3.101 20 10 CGCDMN CO[C@@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)C(F)(F)F ZINC000840899075 635077263 /nfs/dbraw/zinc/07/72/63/635077263.db2.gz NIJFXFFXZCTAPP-NSHDSACASA-N 0 1 297.704 3.021 20 10 CGCDMN Cc1ncsc1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840892289 635077334 /nfs/dbraw/zinc/07/73/34/635077334.db2.gz PRZHBPZBGVWPGY-UHFFFAOYSA-N 0 1 282.796 3.409 20 10 CGCDMN Cc1noc(C)c1CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840895724 635077844 /nfs/dbraw/zinc/07/78/44/635077844.db2.gz UEKNFKRBRMPEGJ-UHFFFAOYSA-N 0 1 294.782 3.291 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000840949813 635091299 /nfs/dbraw/zinc/09/12/99/635091299.db2.gz CHEYBTCRIWKQOQ-MRXNPFEDSA-N 0 1 295.810 3.357 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000840949813 635091302 /nfs/dbraw/zinc/09/13/02/635091302.db2.gz CHEYBTCRIWKQOQ-MRXNPFEDSA-N 0 1 295.810 3.357 20 10 CGCDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N(CC)CC)cc1 ZINC000840996655 635101010 /nfs/dbraw/zinc/10/10/10/635101010.db2.gz GIRPNUHNUVSMOG-AWEZNQCLSA-N 0 1 292.423 3.218 20 10 CGCDMN [O-]c1c(C[N@H+]2C[C@@H]3CCCC[C@@H]32)ccc(F)c1F ZINC000877620416 635116853 /nfs/dbraw/zinc/11/68/53/635116853.db2.gz HGQRFELHHANXDD-CABZTGNLSA-N 0 1 253.292 3.045 20 10 CGCDMN C[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])[C@H](C)O1 ZINC000877683123 635145200 /nfs/dbraw/zinc/14/52/00/635145200.db2.gz SSZIINAAFJMNSC-WQGACYEGSA-N 0 1 271.360 3.201 20 10 CGCDMN COCc1csc(CN2Cc3cccc(O)c3C2)c1 ZINC000877702786 635153882 /nfs/dbraw/zinc/15/38/82/635153882.db2.gz HPMRGBPELSYGAP-UHFFFAOYSA-N 0 1 275.373 3.116 20 10 CGCDMN C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(Cl)cc1[O-] ZINC000841743424 635220881 /nfs/dbraw/zinc/22/08/81/635220881.db2.gz GFYURXTTZQLHET-RNCFNFMXSA-N 0 1 281.739 3.023 20 10 CGCDMN C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841752259 635225233 /nfs/dbraw/zinc/22/52/33/635225233.db2.gz RUYBNEQPWKMEON-ZYHUDNBSSA-N 0 1 285.815 3.493 20 10 CGCDMN CC[C@H](COC)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841754218 635228900 /nfs/dbraw/zinc/22/89/00/635228900.db2.gz JAWGUGRJCXLXTD-MWLCHTKSSA-N 0 1 257.761 3.121 20 10 CGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCS[C@H]2C)c(Cl)c1 ZINC000842780990 635470728 /nfs/dbraw/zinc/47/07/28/635470728.db2.gz XJNFSEWZLKVHTP-JOYOIKCWSA-N 0 1 271.813 3.338 20 10 CGCDMN C[C@@H](NCc1nnc(C2CC2)n1C1CC1)c1ccccc1O ZINC000879648940 635826983 /nfs/dbraw/zinc/82/69/83/635826983.db2.gz GSZGCYPRUIAJRF-LLVKDONJSA-N 0 1 298.390 3.047 20 10 CGCDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C2(CCC2)CO1 ZINC000846066665 636140710 /nfs/dbraw/zinc/14/07/10/636140710.db2.gz FFFHMNDOOYGUBX-SNVBAGLBSA-N 0 1 299.773 3.328 20 10 CGCDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1cn2ccccc2n1 ZINC000848524343 636587551 /nfs/dbraw/zinc/58/75/51/636587551.db2.gz DQZFPYKRNVZTTD-CYBMUJFWSA-N 0 1 293.370 3.120 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CCc2ccns2)c(Cl)c1 ZINC000883239384 636609146 /nfs/dbraw/zinc/60/91/46/636609146.db2.gz FFPJLLKJCSWNCK-UHFFFAOYSA-N 0 1 282.796 3.143 20 10 CGCDMN [O-]c1cccc(Cl)c1CN1CC[NH+](C2CCCC2)CC1 ZINC000133881471 636985274 /nfs/dbraw/zinc/98/52/74/636985274.db2.gz NOOJZEYOCOKMJB-UHFFFAOYSA-N 0 1 294.826 3.106 20 10 CGCDMN C[C@H]([NH2+]CCCF)c1ccc(Br)cc1[O-] ZINC000134936058 637053263 /nfs/dbraw/zinc/05/32/63/637053263.db2.gz TWYTVDPVTOROCB-QMMMGPOBSA-N 0 1 276.149 3.165 20 10 CGCDMN CC[C@@H]([NH2+]C/C=C/CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000850506911 637094117 /nfs/dbraw/zinc/09/41/17/637094117.db2.gz CNFYTWQFVZDYMN-AAOUONPWSA-N 0 1 289.297 3.000 20 10 CGCDMN C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc2ccccc2c1[O-] ZINC000850516952 637100280 /nfs/dbraw/zinc/10/02/80/637100280.db2.gz ZWQGJQJVOYLNCF-OLZOCXBDSA-N 0 1 285.387 3.357 20 10 CGCDMN C[C@@H](NCc1cc(C2CC2)no1)c1cc(F)ccc1O ZINC000886684574 637650764 /nfs/dbraw/zinc/65/07/64/637650764.db2.gz NVPBDFNGPQTWQG-SECBINFHSA-N 0 1 276.311 3.248 20 10 CGCDMN C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C[C@@H](C)C1 ZINC000300416343 637838364 /nfs/dbraw/zinc/83/83/64/637838364.db2.gz RTQGGZRLYHXBQT-YABSGUDNSA-N 0 1 251.345 3.446 20 10 CGCDMN Cc1cc(C)c(O)c(CN2C[C@H](C)O[C@](C)(C(F)F)C2)c1 ZINC000853630091 637877290 /nfs/dbraw/zinc/87/72/90/637877290.db2.gz NJVFMHBQHZFDAY-LRDDRELGSA-N 0 1 299.361 3.254 20 10 CGCDMN Cc1cc([O-])c(C[NH2+]CC[C@@H]2CC2(F)F)cc1Cl ZINC000857059626 638446416 /nfs/dbraw/zinc/44/64/16/638446416.db2.gz VCTISKAARGGUSD-SNVBAGLBSA-N 0 1 275.726 3.489 20 10 CGCDMN CSC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000193658395 640485581 /nfs/dbraw/zinc/48/55/81/640485581.db2.gz VITKPXMTYXWKGG-UHFFFAOYSA-N 0 1 257.786 3.031 20 10 CGCDMN C[C@@H]1CCCCN1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000113322167 640975023 /nfs/dbraw/zinc/97/50/23/640975023.db2.gz FNBSOINCCAJSPY-GFCCVEGCSA-N 0 1 282.815 3.010 20 10 CGCDMN Oc1cc(O)c(-c2nc3cc(Cl)c(F)cc3[nH]2)cc1O ZINC001251355342 805887044 /nfs/dbraw/zinc/88/70/44/805887044.db2.gz GXFMAEDSVSBJQE-UHFFFAOYSA-N 0 1 294.669 3.139 20 10 CGCDMN CCN1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC001254720984 806487237 /nfs/dbraw/zinc/48/72/37/806487237.db2.gz FGJVCEOTZTWQGH-NEPJUHHUSA-N 0 1 298.377 3.053 20 10 CGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C)C(C)C)c1[O-] ZINC000037328738 798866564 /nfs/dbraw/zinc/86/65/64/798866564.db2.gz ZXSGDBIVDCJGSR-JTQLQIEISA-N 0 1 267.344 3.210 20 10 CGCDMN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])CC(C)C ZINC000037323216 798866883 /nfs/dbraw/zinc/86/68/83/798866883.db2.gz YJIZKWBRLPOQDF-UHFFFAOYSA-N 0 1 267.344 3.212 20 10 CGCDMN C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000161294499 799079689 /nfs/dbraw/zinc/07/96/89/799079689.db2.gz GGCFNNMQLJZFCB-NXEZZACHSA-N 0 1 284.197 3.385 20 10 CGCDMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000161294499 799079695 /nfs/dbraw/zinc/07/96/95/799079695.db2.gz GGCFNNMQLJZFCB-NXEZZACHSA-N 0 1 284.197 3.385 20 10 CGCDMN CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000384314620 799415628 /nfs/dbraw/zinc/41/56/28/799415628.db2.gz RVNPQZGFRNDZOB-BMIGLBTASA-N 0 1 279.355 3.354 20 10 CGCDMN CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000384314620 799415632 /nfs/dbraw/zinc/41/56/32/799415632.db2.gz RVNPQZGFRNDZOB-BMIGLBTASA-N 0 1 279.355 3.354 20 10 CGCDMN C[C@@H]([NH2+]Cc1cncn1C)c1ccc2ccccc2c1[O-] ZINC000384608208 799417026 /nfs/dbraw/zinc/41/70/26/799417026.db2.gz YDTGTKXWLZVBBC-GFCCVEGCSA-N 0 1 281.359 3.130 20 10 CGCDMN CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000687212157 799737096 /nfs/dbraw/zinc/73/70/96/799737096.db2.gz HLLSNRHARVFIOD-ZWNOBZJWSA-N 0 1 269.772 3.045 20 10 CGCDMN CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000687212157 799737098 /nfs/dbraw/zinc/73/70/98/799737098.db2.gz HLLSNRHARVFIOD-ZWNOBZJWSA-N 0 1 269.772 3.045 20 10 CGCDMN C[C@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])O1 ZINC000701511393 799889679 /nfs/dbraw/zinc/88/96/79/799889679.db2.gz HIOYYOAZFVJSLM-GWCFXTLKSA-N 0 1 269.772 3.093 20 10 CGCDMN C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])O1 ZINC000701511397 799890096 /nfs/dbraw/zinc/89/00/96/799890096.db2.gz HIOYYOAZFVJSLM-MFKMUULPSA-N 0 1 269.772 3.093 20 10 CGCDMN CCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000701660296 799890529 /nfs/dbraw/zinc/89/05/29/799890529.db2.gz BSBHUNLGPAEXPO-NSHDSACASA-N 0 1 290.190 3.310 20 10 CGCDMN CCCO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000701666308 799892522 /nfs/dbraw/zinc/89/25/22/799892522.db2.gz TZAYPQSQKGHTLQ-LBPRGKRZSA-N 0 1 269.772 3.047 20 10 CGCDMN CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703499981 799924522 /nfs/dbraw/zinc/92/45/22/799924522.db2.gz ASZXWMOXYQZXLG-NEPJUHHUSA-N 0 1 285.334 3.060 20 10 CGCDMN CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703499981 799924527 /nfs/dbraw/zinc/92/45/27/799924527.db2.gz ASZXWMOXYQZXLG-NEPJUHHUSA-N 0 1 285.334 3.060 20 10 CGCDMN [O-]c1cccc(Br)c1C[NH2+]CC1CCC1 ZINC000706833861 799967859 /nfs/dbraw/zinc/96/78/59/799967859.db2.gz KOBURUYEXDONLC-UHFFFAOYSA-N 0 1 270.170 3.044 20 10 CGCDMN Cc1ccc([C@@H](C)NCc2nc3c(s2)CCC3)c(O)c1 ZINC000719571638 800243191 /nfs/dbraw/zinc/24/31/91/800243191.db2.gz UHSOPEHDKYKDPB-LLVKDONJSA-N 0 1 288.416 3.497 20 10 CGCDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000720494780 800258725 /nfs/dbraw/zinc/25/87/25/800258725.db2.gz JBXIIXPUWQTAQF-VIFPVBQESA-N 0 1 290.190 3.310 20 10 CGCDMN C[C@H]([NH2+][C@H](CCO)C1CCCC1)c1cc(F)ccc1[O-] ZINC000725086550 800371850 /nfs/dbraw/zinc/37/18/50/800371850.db2.gz UHCRUQKFFZLQIC-XHDPSFHLSA-N 0 1 281.371 3.123 20 10 CGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@](CO)(C(C)C)C2)cc1Cl ZINC001118577353 802586466 /nfs/dbraw/zinc/58/64/66/802586466.db2.gz DJSBMVGOEOTQKT-MRXNPFEDSA-N 0 1 297.826 3.194 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)cc1Cl ZINC001118577353 802586467 /nfs/dbraw/zinc/58/64/67/802586467.db2.gz DJSBMVGOEOTQKT-MRXNPFEDSA-N 0 1 297.826 3.194 20 10 CGCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001137837329 803779131 /nfs/dbraw/zinc/77/91/31/803779131.db2.gz BLINJMUMIKSZTN-AWEZNQCLSA-N 0 1 286.350 3.133 20 10 CGCDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001138127443 803864001 /nfs/dbraw/zinc/86/40/01/803864001.db2.gz BRBLIIVKSSBINP-OAHLLOKOSA-N 0 1 286.350 3.133 20 10 CGCDMN C[N@H+](Cc1ccc(Cl)nc1)Cc1c(F)ccc(F)c1[O-] ZINC001139685258 804253021 /nfs/dbraw/zinc/25/30/21/804253021.db2.gz CONJBLUAWZYECO-UHFFFAOYSA-N 0 1 298.720 3.351 20 10 CGCDMN C[N@@H+](Cc1ccc(Cl)nc1)Cc1c(F)ccc(F)c1[O-] ZINC001139685258 804253028 /nfs/dbraw/zinc/25/30/28/804253028.db2.gz CONJBLUAWZYECO-UHFFFAOYSA-N 0 1 298.720 3.351 20 10 CGCDMN Cc1ncccc1C[N@@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139688051 804254240 /nfs/dbraw/zinc/25/42/40/804254240.db2.gz XMFHLWWUNRSTGY-UHFFFAOYSA-N 0 1 278.302 3.006 20 10 CGCDMN Cc1ncccc1C[N@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139688051 804254246 /nfs/dbraw/zinc/25/42/46/804254246.db2.gz XMFHLWWUNRSTGY-UHFFFAOYSA-N 0 1 278.302 3.006 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001140338994 804419405 /nfs/dbraw/zinc/41/94/05/804419405.db2.gz QLMADDPWGBTWMY-HNNXBMFYSA-N 0 1 281.783 3.048 20 10 CGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001140338994 804419408 /nfs/dbraw/zinc/41/94/08/804419408.db2.gz QLMADDPWGBTWMY-HNNXBMFYSA-N 0 1 281.783 3.048 20 10 CGCDMN COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c([O-])cccc1Cl ZINC001140341703 804420432 /nfs/dbraw/zinc/42/04/32/804420432.db2.gz DDUQYFQKGYYESE-FOSCPWQOSA-N 0 1 281.783 3.187 20 10 CGCDMN COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])cccc1Cl ZINC001140341703 804420437 /nfs/dbraw/zinc/42/04/37/804420437.db2.gz DDUQYFQKGYYESE-FOSCPWQOSA-N 0 1 281.783 3.187 20 10 CGCDMN C[C@]1(CF)CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140463279 804440985 /nfs/dbraw/zinc/44/09/85/804440985.db2.gz YNTNTRCCYLDRGW-CYBMUJFWSA-N 0 1 257.736 3.227 20 10 CGCDMN C[C@]1(CF)CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140463279 804440982 /nfs/dbraw/zinc/44/09/82/804440982.db2.gz YNTNTRCCYLDRGW-CYBMUJFWSA-N 0 1 257.736 3.227 20 10 CGCDMN Oc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001140462514 804441070 /nfs/dbraw/zinc/44/10/70/804441070.db2.gz HXYCWSQTDWZGPT-OAHLLOKOSA-N 0 1 281.783 3.191 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001140462514 804441073 /nfs/dbraw/zinc/44/10/73/804441073.db2.gz HXYCWSQTDWZGPT-OAHLLOKOSA-N 0 1 281.783 3.191 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001140462514 804441075 /nfs/dbraw/zinc/44/10/75/804441075.db2.gz HXYCWSQTDWZGPT-OAHLLOKOSA-N 0 1 281.783 3.191 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001140464890 804442513 /nfs/dbraw/zinc/44/25/13/804442513.db2.gz FDZDLWGMZSLXFI-OAHLLOKOSA-N 0 1 281.783 3.048 20 10 CGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001140464890 804442519 /nfs/dbraw/zinc/44/25/19/804442519.db2.gz FDZDLWGMZSLXFI-OAHLLOKOSA-N 0 1 281.783 3.048 20 10 CGCDMN Oc1cc(F)cc(F)c1CN1Cc2cnc(Cl)cc2C1 ZINC001140585475 804468593 /nfs/dbraw/zinc/46/85/93/804468593.db2.gz JVMHDHIYVKMNGX-UHFFFAOYSA-N 0 1 296.704 3.235 20 10 CGCDMN COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1O ZINC001140950990 804557788 /nfs/dbraw/zinc/55/77/88/804557788.db2.gz RZQUQRVBXCLSQE-HNNXBMFYSA-N 0 1 263.381 3.090 20 10 CGCDMN CN1CCOc2cc(CN3CCCC[C@](C)(F)C3)ccc21 ZINC001141140845 804597432 /nfs/dbraw/zinc/59/74/32/804597432.db2.gz PSNJSLKIKXFNHD-KRWDZBQOSA-N 0 1 292.398 3.229 20 10 CGCDMN C[N@@H+](Cc1ccccc1O)Cc1cc(F)c(F)cc1[O-] ZINC001142527017 804731389 /nfs/dbraw/zinc/73/13/89/804731389.db2.gz GTIYYJFVLINRBI-UHFFFAOYSA-N 0 1 279.286 3.008 20 10 CGCDMN C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])C2(CC2)C1 ZINC001142526975 804731470 /nfs/dbraw/zinc/73/14/70/804731470.db2.gz DOKZHXQOBOBSAQ-SECBINFHSA-N 0 1 253.292 3.045 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001142527582 804733531 /nfs/dbraw/zinc/73/35/31/804733531.db2.gz ZUQADNDGPTWSOE-UHFFFAOYSA-N 0 1 279.286 3.428 20 10 CGCDMN C[C@H]1CN(Cc2cccc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC001143101219 804799472 /nfs/dbraw/zinc/79/94/72/804799472.db2.gz BKCKQRUWOWMKSP-STQMWFEESA-N 0 1 277.408 3.299 20 10 CGCDMN CC(C)(C)c1cccc(CN2CC(C(F)F)C2)c1O ZINC001143116896 804805890 /nfs/dbraw/zinc/80/58/90/804805890.db2.gz ODTCYFUODSEQRT-UHFFFAOYSA-N 0 1 269.335 3.387 20 10 CGCDMN Cc1c(O)cccc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001144122228 804939663 /nfs/dbraw/zinc/93/96/63/804939663.db2.gz YUPZTTDNFKFWGL-UHFFFAOYSA-N 0 1 299.370 3.060 20 10 CGCDMN CC(C)CCC[C@@H](C)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001170064556 807745639 /nfs/dbraw/zinc/74/56/39/807745639.db2.gz QOAWGGUDYYMOAC-GFCCVEGCSA-N 0 1 279.380 3.085 20 10 CGCDMN CN(C)c1ccc(CNCc2cc3cccnc3o2)cc1F ZINC001177554442 809809709 /nfs/dbraw/zinc/80/97/09/809809709.db2.gz YKPLBFDWWNRMDX-UHFFFAOYSA-N 0 1 299.349 3.323 20 10 CGCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001181870252 810077546 /nfs/dbraw/zinc/07/75/46/810077546.db2.gz MQXNLMSCICHNNG-WBMJQRKESA-N 0 1 279.330 3.291 20 10 CGCDMN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)cc1Cl ZINC001183227537 810141542 /nfs/dbraw/zinc/14/15/42/810141542.db2.gz SHRLACMROCJPAR-ZIAGYGMSSA-N 0 1 283.799 3.089 20 10 CGCDMN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCCC[C@H]2O)cc1Cl ZINC001183227537 810141545 /nfs/dbraw/zinc/14/15/45/810141545.db2.gz SHRLACMROCJPAR-ZIAGYGMSSA-N 0 1 283.799 3.089 20 10 CGCDMN Oc1cccc2c1C[N@@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC001183453231 810149274 /nfs/dbraw/zinc/14/92/74/810149274.db2.gz AWHQUFFPRKHKLT-UHFFFAOYSA-N 0 1 291.354 3.094 20 10 CGCDMN Cc1cc(C)c(NC(=O)c2cc(O)c(O)c(Cl)c2)cn1 ZINC001193589296 810913973 /nfs/dbraw/zinc/91/39/73/810913973.db2.gz HQYNEPIDIWDWMH-UHFFFAOYSA-N 0 1 292.722 3.015 20 10 CGCDMN Cc1cccc(C[N@H+](C)Cc2ccc(O)cc2O)c1 ZINC001204271985 812592624 /nfs/dbraw/zinc/59/26/24/812592624.db2.gz FMHHOCMLPXMMMG-UHFFFAOYSA-N 0 1 257.333 3.038 20 10 CGCDMN CC(=O)[C@@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 ZINC001204328298 812614529 /nfs/dbraw/zinc/61/45/29/812614529.db2.gz GHGVJMNNYCIMKT-SFHVURJKSA-N 0 1 286.419 3.230 20 10 CGCDMN CCOC1CC([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001206055475 813184149 /nfs/dbraw/zinc/18/41/49/813184149.db2.gz LESVOUWXTDHRNB-UHFFFAOYSA-N 0 1 283.799 3.353 20 10 CGCDMN CCOC1CC([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001206055475 813184154 /nfs/dbraw/zinc/18/41/54/813184154.db2.gz LESVOUWXTDHRNB-UHFFFAOYSA-N 0 1 283.799 3.353 20 10 CGCDMN CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001206239355 813251046 /nfs/dbraw/zinc/25/10/46/813251046.db2.gz FEHZFTRSZMDDFI-CQSZACIVSA-N 0 1 283.799 3.437 20 10 CGCDMN CCOC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001206239355 813251048 /nfs/dbraw/zinc/25/10/48/813251048.db2.gz FEHZFTRSZMDDFI-CQSZACIVSA-N 0 1 283.799 3.437 20 10 CGCDMN C[C@H](C[NH2+]Cc1ccc(Cl)cc1[O-])C(=O)OC(C)(C)C ZINC001206463364 813327134 /nfs/dbraw/zinc/32/71/34/813327134.db2.gz GKTAZRHNWNVYSQ-SNVBAGLBSA-N 0 1 299.798 3.113 20 10 CGCDMN CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCOC(C)(C)C1 ZINC001207359818 813549920 /nfs/dbraw/zinc/54/99/20/813549920.db2.gz AXOSFUZNUIKZRJ-CQSZACIVSA-N 0 1 277.408 3.419 20 10 CGCDMN CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCOC(C)(C)C1 ZINC001207359818 813549925 /nfs/dbraw/zinc/54/99/25/813549925.db2.gz AXOSFUZNUIKZRJ-CQSZACIVSA-N 0 1 277.408 3.419 20 10 CGCDMN Cn1cncc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001211251975 814862227 /nfs/dbraw/zinc/86/22/27/814862227.db2.gz TUIOTJNBNCACMK-UHFFFAOYSA-N 0 1 278.359 3.337 20 10 CGCDMN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590438 818128914 /nfs/dbraw/zinc/12/89/14/818128914.db2.gz ADYMIJNDXIPUPQ-KRWDZBQOSA-N 0 1 285.387 3.281 20 10 CGCDMN Cc1cccc(CN(C)Cc2cccc3c2OCO3)c1O ZINC001231594373 818131806 /nfs/dbraw/zinc/13/18/06/818131806.db2.gz CITFOLLVULLOFL-UHFFFAOYSA-N 0 1 285.343 3.061 20 10 CGCDMN Cc1cccc(CN2CCCC(F)(F)[C@@H](F)C2)c1O ZINC001231590855 818132147 /nfs/dbraw/zinc/13/21/47/818132147.db2.gz ISHRAILOSCNYJN-LBPRGKRZSA-N 0 1 273.298 3.270 20 10 CGCDMN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)ccc2ccccc21 ZINC001231879869 818199291 /nfs/dbraw/zinc/19/92/91/818199291.db2.gz SYQKWPOLFBWQLX-CWRNSKLLSA-N 0 1 271.335 3.335 20 10 CGCDMN [O-]c1c(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)ccc2ccccc21 ZINC001231879869 818199299 /nfs/dbraw/zinc/19/92/99/818199299.db2.gz SYQKWPOLFBWQLX-CWRNSKLLSA-N 0 1 271.335 3.335 20 10 CGCDMN COC[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC001231879988 818199771 /nfs/dbraw/zinc/19/97/71/818199771.db2.gz ZHROZOROPIIGQT-HNNXBMFYSA-N 0 1 271.360 3.156 20 10 CGCDMN COC[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879988 818199774 /nfs/dbraw/zinc/19/97/74/818199774.db2.gz ZHROZOROPIIGQT-HNNXBMFYSA-N 0 1 271.360 3.156 20 10 CGCDMN COC[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001231879988 818199778 /nfs/dbraw/zinc/19/97/78/818199778.db2.gz ZHROZOROPIIGQT-HNNXBMFYSA-N 0 1 271.360 3.156 20 10 CGCDMN COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC001231914808 818211959 /nfs/dbraw/zinc/21/19/59/818211959.db2.gz QVZGYWOCBAVXTF-FUNVUKJBSA-N 0 1 281.783 3.187 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@H](F)CC2)cc1Cl ZINC001232267139 818298424 /nfs/dbraw/zinc/29/84/24/818298424.db2.gz XMEJYSLWXJSKMJ-NSHDSACASA-N 0 1 287.762 3.378 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC[C@H](F)CC2)cc1Cl ZINC001232267139 818298430 /nfs/dbraw/zinc/29/84/30/818298430.db2.gz XMEJYSLWXJSKMJ-NSHDSACASA-N 0 1 287.762 3.378 20 10 CGCDMN CCC[N@@H+](C)Cc1c([O-])cc(Br)cc1F ZINC001233027000 818506039 /nfs/dbraw/zinc/50/60/39/818506039.db2.gz KAQORVVMWKSREP-UHFFFAOYSA-N 0 1 276.149 3.136 20 10 CGCDMN C[N@@H+](CCc1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233331690 818582764 /nfs/dbraw/zinc/58/27/64/818582764.db2.gz HBDCIEUNRVEULF-UHFFFAOYSA-N 0 1 277.314 3.345 20 10 CGCDMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2F)[C@@H]1C ZINC001233334677 818584277 /nfs/dbraw/zinc/58/42/77/818584277.db2.gz PPRQYWIKMZFKTL-NXEZZACHSA-N 0 1 255.308 3.291 20 10 CGCDMN C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCCO1 ZINC001233452145 818623946 /nfs/dbraw/zinc/62/39/46/818623946.db2.gz MDIHIPDXHKDPGN-SNVBAGLBSA-N 0 1 289.297 3.022 20 10 CGCDMN C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CCCO1 ZINC001233452145 818623948 /nfs/dbraw/zinc/62/39/48/818623948.db2.gz MDIHIPDXHKDPGN-SNVBAGLBSA-N 0 1 289.297 3.022 20 10 CGCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001233455783 818625260 /nfs/dbraw/zinc/62/52/60/818625260.db2.gz YKGFPDUMUFMITP-SKDRFNHKSA-N 0 1 271.282 3.395 20 10 CGCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001233455783 818625265 /nfs/dbraw/zinc/62/52/65/818625265.db2.gz YKGFPDUMUFMITP-SKDRFNHKSA-N 0 1 271.282 3.395 20 10 CGCDMN Nc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001236104864 819321617 /nfs/dbraw/zinc/32/16/17/819321617.db2.gz GDWPDKVFTYFPEN-UHFFFAOYSA-N 0 1 288.778 3.186 20 10 CGCDMN Nc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001236104864 819321623 /nfs/dbraw/zinc/32/16/23/819321623.db2.gz GDWPDKVFTYFPEN-UHFFFAOYSA-N 0 1 288.778 3.186 20 10 CGCDMN CCc1ccc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c(O)c1 ZINC001236783979 819595762 /nfs/dbraw/zinc/59/57/62/819595762.db2.gz QPDCEPOTAAEGMR-HZPDHXFCSA-N 0 1 287.403 3.288 20 10 CGCDMN C[C@@H]1COCC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794840 819597157 /nfs/dbraw/zinc/59/71/57/819597157.db2.gz VKIBYMAXRRAVEB-VIFPVBQESA-N 0 1 290.190 3.167 20 10 CGCDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC001236807491 819601565 /nfs/dbraw/zinc/60/15/65/819601565.db2.gz HBBMNEVVKJZLFR-RNCFNFMXSA-N 0 1 267.756 3.039 20 10 CGCDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC001236807491 819601568 /nfs/dbraw/zinc/60/15/68/819601568.db2.gz HBBMNEVVKJZLFR-RNCFNFMXSA-N 0 1 267.756 3.039 20 10 CGCDMN COc1ccc(C[N@H+]2CCCC[C@H]2C)c([O-])c1Cl ZINC001236806018 819602523 /nfs/dbraw/zinc/60/25/23/819602523.db2.gz LBVLSTPARKZGNY-SNVBAGLBSA-N 0 1 269.772 3.429 20 10 CGCDMN C[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])[C@@H]1CCCOC1 ZINC001236802996 819603170 /nfs/dbraw/zinc/60/31/70/819603170.db2.gz LHYGQOIIISQEIM-SNVBAGLBSA-N 0 1 290.190 3.310 20 10 CGCDMN COc1ccc(C[N@@H+](CC2CC2)C2CC2)c([O-])c1Cl ZINC001236808666 819604538 /nfs/dbraw/zinc/60/45/38/819604538.db2.gz HTJJRPOLNFHFCM-UHFFFAOYSA-N 0 1 281.783 3.429 20 10 CGCDMN CC(C)c1ccc(C[N@H+]2CCCC[C@](C)(O)C2)c(O)c1 ZINC001237044276 819648113 /nfs/dbraw/zinc/64/81/13/819648113.db2.gz BMBDHVWWNRVUIK-KRWDZBQOSA-N 0 1 277.408 3.253 20 10 CGCDMN CCOc1ccc(C[N@H+](CCCCCO)C(C)C)c([O-])c1 ZINC001237047454 819650957 /nfs/dbraw/zinc/65/09/57/819650957.db2.gz YKEOBKZHEYHYQJ-UHFFFAOYSA-N 0 1 295.423 3.164 20 10 CGCDMN CCOc1ccc(C[N@@H+](CCCCCO)C(C)C)c([O-])c1 ZINC001237047454 819650963 /nfs/dbraw/zinc/65/09/63/819650963.db2.gz YKEOBKZHEYHYQJ-UHFFFAOYSA-N 0 1 295.423 3.164 20 10 CGCDMN CCOc1ccc(C[NH+](C(C)C)C(C)C)c([O-])c1 ZINC001237046230 819651248 /nfs/dbraw/zinc/65/12/48/819651248.db2.gz ZVASVOHEHYSOIM-UHFFFAOYSA-N 0 1 251.370 3.410 20 10 CGCDMN CC(C)c1ccc(C[N@H+]2CCC[C@H](CCO)C2)c(O)c1 ZINC001237049260 819651703 /nfs/dbraw/zinc/65/17/03/819651703.db2.gz MUWVMBNSTMJUGI-CQSZACIVSA-N 0 1 277.408 3.110 20 10 CGCDMN CC(=O)[C@@H]1CCCCN1Cc1ccc(C(C)C)cc1O ZINC001237055467 819655448 /nfs/dbraw/zinc/65/54/48/819655448.db2.gz PFWGROATJZUSFV-INIZCTEOSA-N 0 1 275.392 3.459 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001237127221 819674209 /nfs/dbraw/zinc/67/42/09/819674209.db2.gz WWMDCFASKUZOOS-GFCCVEGCSA-N 0 1 291.700 3.416 20 10 CGCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001237127221 819674211 /nfs/dbraw/zinc/67/42/11/819674211.db2.gz WWMDCFASKUZOOS-GFCCVEGCSA-N 0 1 291.700 3.416 20 10 CGCDMN COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c([O-])ccc(F)c1Cl ZINC001237130356 819675351 /nfs/dbraw/zinc/67/53/51/819675351.db2.gz MPJVEYPAJLRXFR-ZACCUICWSA-N 0 1 299.773 3.327 20 10 CGCDMN COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])ccc(F)c1Cl ZINC001237130356 819675354 /nfs/dbraw/zinc/67/53/54/819675354.db2.gz MPJVEYPAJLRXFR-ZACCUICWSA-N 0 1 299.773 3.327 20 10 CGCDMN C[C@]1(CF)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237616476 819787256 /nfs/dbraw/zinc/78/72/56/819787256.db2.gz DXPGSZXLIKHSBX-CYBMUJFWSA-N 0 1 275.726 3.366 20 10 CGCDMN CC[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237802422 819844775 /nfs/dbraw/zinc/84/47/75/819844775.db2.gz MNPAFFAJXZSANP-SECBINFHSA-N 0 1 257.736 3.417 20 10 CGCDMN CC1(C)CC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237938218 819888995 /nfs/dbraw/zinc/88/89/95/819888995.db2.gz ZDIZAGVURIZVQV-UHFFFAOYSA-N 0 1 257.736 3.417 20 10 CGCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001237935189 819889169 /nfs/dbraw/zinc/88/91/69/819889169.db2.gz AYTDSZGWGYKKSG-GFCCVEGCSA-N 0 1 291.700 3.416 20 10 CGCDMN [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001237945445 819891667 /nfs/dbraw/zinc/89/16/67/819891667.db2.gz FVLIECHURLGMHJ-ZUZCIYMTSA-N 0 1 299.773 3.186 20 10 CGCDMN Cc1ccc(O)cc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001238103309 819934062 /nfs/dbraw/zinc/93/40/62/819934062.db2.gz NEHVQENEYYWNQA-UHFFFAOYSA-N 0 1 299.370 3.060 20 10 CGCDMN