smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC)c(NCc2cccc(Cl)c2[O-])c1 ZINC000158054295 1127415236 /nfs/dbraw/zinc/41/52/36/1127415236.db2.gz PTAIEUMMHSUWSQ-UHFFFAOYSA-N -1 1 293.750 3.675 20 10 CHCDMM CC(C)CN(Cc1cc(F)c(F)cc1[O-])CC(F)(F)F ZINC001180249721 1121970242 /nfs/dbraw/zinc/97/02/42/1121970242.db2.gz YCIBYSJYAYPKHN-UHFFFAOYSA-N -1 1 297.267 3.691 20 10 CHCDMM CCC[C@](C)(CC)C(=O)NCc1cccc(Cl)c1[O-] ZINC001180409907 1121987691 /nfs/dbraw/zinc/98/76/91/1121987691.db2.gz IHCOJMOIJBWKAL-HNNXBMFYSA-N -1 1 283.799 3.878 20 10 CHCDMM CC[C@@H](CC(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC001180410941 1121988045 /nfs/dbraw/zinc/98/80/45/1121988045.db2.gz VSAXOPWBNVFJIZ-NSHDSACASA-N -1 1 283.799 3.734 20 10 CHCDMM CCN(Cc1cc(Cl)cc(F)c1[O-])c1cccc(O)c1 ZINC001182883254 1122193826 /nfs/dbraw/zinc/19/38/26/1122193826.db2.gz YCOAGILPTJNJNE-UHFFFAOYSA-N -1 1 295.741 3.917 20 10 CHCDMM Cc1ncccc1NCc1cc(Cl)cc(F)c1[O-] ZINC001201566228 1123125047 /nfs/dbraw/zinc/12/50/47/1123125047.db2.gz CZNJCUKMTFSSPF-UHFFFAOYSA-N -1 1 266.703 3.500 20 10 CHCDMM C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1[O-])C(F)F ZINC000883400746 1125409163 /nfs/dbraw/zinc/40/91/63/1125409163.db2.gz UHXKZBKBBAFBFU-NKWVEPMBSA-N -1 1 283.240 3.715 20 10 CHCDMM Cc1ccc(CN(C)Cc2cc(Cl)cc(F)c2[O-])nc1 ZINC000789588190 1130260812 /nfs/dbraw/zinc/26/08/12/1130260812.db2.gz ACJUEFIVQNTCFG-UHFFFAOYSA-N -1 1 294.757 3.520 20 10 CHCDMM C[C@@H]1C[C@H](C)N1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000793220971 1130530226 /nfs/dbraw/zinc/53/02/26/1130530226.db2.gz SNERWPSHSZURCB-OCAPTIKFSA-N -1 1 260.164 3.682 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1OC1CCC(C(C)C)CC1 ZINC001234473046 1130647588 /nfs/dbraw/zinc/64/75/88/1130647588.db2.gz ANJBMVOJIMYOQB-UHFFFAOYSA-N -1 1 292.375 3.894 20 10 CHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H](F)C[C@H]1CF ZINC001236794600 1131008687 /nfs/dbraw/zinc/00/86/87/1131008687.db2.gz SYFPEPOQEZDRKL-IUCAKERBSA-N -1 1 296.144 3.581 20 10 CHCDMM C[C@@H]1c2cccn2CCN1Cc1c([O-])ccc(F)c1Cl ZINC001237129653 1131054622 /nfs/dbraw/zinc/05/46/22/1131054622.db2.gz JDOYCWNKRFUQTI-SNVBAGLBSA-N -1 1 294.757 3.563 20 10 CHCDMM COc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816522603 1131106905 /nfs/dbraw/zinc/10/69/05/1131106905.db2.gz HDAGNVYDUUNORG-UHFFFAOYSA-N -1 1 281.714 3.805 20 10 CHCDMM COc1cc(NCc2cc(Cl)c(F)cc2[O-])ccc1F ZINC000816584848 1131108031 /nfs/dbraw/zinc/10/80/31/1131108031.db2.gz UFPQJAMTIGTZBE-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM Cc1cncc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816558074 1131111529 /nfs/dbraw/zinc/11/15/29/1131111529.db2.gz MCWJOSGIPZDDDV-UHFFFAOYSA-N -1 1 266.703 3.500 20 10 CHCDMM CC(C)(C)n1cc(NCc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816559873 1131111606 /nfs/dbraw/zinc/11/16/06/1131111606.db2.gz XYSHLGFZEPLYES-UHFFFAOYSA-N -1 1 297.761 3.748 20 10 CHCDMM [O-]c1cccc(Cl)c1CN1CCCC[C@@H]1C(F)(F)F ZINC001140345709 1131704684 /nfs/dbraw/zinc/70/46/84/1131704684.db2.gz YIKWQETYHXGGMQ-GFCCVEGCSA-N -1 1 293.716 3.962 20 10 CHCDMM C[C@@]1(CF)CC(F)(F)CN1Cc1ccc(Cl)cc1[O-] ZINC001140462532 1131748760 /nfs/dbraw/zinc/74/87/60/1131748760.db2.gz IGXWMOKBJHDENO-LBPRGKRZSA-N -1 1 293.716 3.615 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1nc2ccc(F)cc2o1 ZINC001164343073 1133214553 /nfs/dbraw/zinc/21/45/53/1133214553.db2.gz XVALTXJWXYCQHA-UHFFFAOYSA-N -1 1 292.697 3.938 20 10 CHCDMM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCC1(F)F ZINC000811512062 1130618372 /nfs/dbraw/zinc/61/83/72/1130618372.db2.gz DEDLIHPAQBUHJE-MRVPVSSYSA-N -1 1 293.716 3.662 20 10 CHCDMM [O-]c1c(Cl)cccc1CN1CCCOc2ccccc21 ZINC000158873072 1128672277 /nfs/dbraw/zinc/67/22/77/1128672277.db2.gz VFUJWODTJRJVAP-UHFFFAOYSA-N -1 1 289.762 3.835 20 10 CHCDMM CC[N@H+](Cc1cccc(F)c1)Cc1c(O)cccc1F ZINC001137839281 1121428064 /nfs/dbraw/zinc/42/80/64/1121428064.db2.gz ZRGYXTGWMSGNET-UHFFFAOYSA-N -1 1 277.314 3.693 20 10 CHCDMM Cc1c(NCc2cccc(Cl)c2[O-])cnn1CC(C)C ZINC000776256511 1123189327 /nfs/dbraw/zinc/18/93/27/1123189327.db2.gz POHWVNXKWPTRNX-UHFFFAOYSA-N -1 1 293.798 3.819 20 10 CHCDMM CC(C)c1nn(C)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC000796022850 1129462681 /nfs/dbraw/zinc/46/26/81/1129462681.db2.gz UKRHXUCKLZQGLT-UHFFFAOYSA-N -1 1 297.761 3.654 20 10 CHCDMM CC[C@H](N[C@@H](C)c1ccc(F)cc1[O-])C(F)(F)F ZINC000786972644 1130123213 /nfs/dbraw/zinc/12/32/13/1130123213.db2.gz FLFUWARFLUOMAF-CPCISQLKSA-N -1 1 265.250 3.523 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1OC1[C@@H](C)CCC[C@@H]1C ZINC001234476009 1130647524 /nfs/dbraw/zinc/64/75/24/1130647524.db2.gz JPOXBITYWPVTEP-UWVGGRQHSA-N -1 1 278.348 3.504 20 10 CHCDMM CCC(CC)[C@@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474151 1130647644 /nfs/dbraw/zinc/64/76/44/1130647644.db2.gz OJQHRSMXVMLJSU-OAHLLOKOSA-N -1 1 280.364 3.894 20 10 CHCDMM CCCC/C=C/[C@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474982 1130647802 /nfs/dbraw/zinc/64/78/02/1130647802.db2.gz BPJWSTUFHOHGKN-AEZGRPFRSA-N -1 1 278.348 3.814 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCc2c1cccc2C ZINC001234473051 1130648099 /nfs/dbraw/zinc/64/80/99/1130648099.db2.gz AOSZFSNMLKAZAJ-QGZVFWFLSA-N -1 1 298.338 3.675 20 10 CHCDMM CC(C)=CCC[C@@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234477361 1130648635 /nfs/dbraw/zinc/64/86/35/1130648635.db2.gz SBOJCPBWMUZFAQ-LLVKDONJSA-N -1 1 278.348 3.814 20 10 CHCDMM C[C@H](NCC(C)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815643583 1131015217 /nfs/dbraw/zinc/01/52/17/1131015217.db2.gz HCSCYBMCBGGSKD-ZETCQYMHSA-N -1 1 283.240 3.717 20 10 CHCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(F)cc1 ZINC000816522960 1131106595 /nfs/dbraw/zinc/10/65/95/1131106595.db2.gz WKEUBOANWSCBTK-UHFFFAOYSA-N -1 1 269.678 3.936 20 10 CHCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc2n[nH]cc2c1 ZINC000816528366 1131108044 /nfs/dbraw/zinc/10/80/44/1131108044.db2.gz ZDKYCHBKQBMDRJ-UHFFFAOYSA-N -1 1 291.713 3.673 20 10 CHCDMM Cc1ncccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816558349 1131111177 /nfs/dbraw/zinc/11/11/77/1131111177.db2.gz VAUYFRFKPIQDDA-UHFFFAOYSA-N -1 1 266.703 3.500 20 10 CHCDMM C[C@@H]1C[N@@H+](Cc2c(F)ccc(F)c2[O-])Cc2ccccc21 ZINC001139683408 1131116771 /nfs/dbraw/zinc/11/67/71/1131116771.db2.gz CWAORRYKIQBFNI-LLVKDONJSA-N -1 1 289.325 3.790 20 10 CHCDMM C[C@]1(F)CCCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237616453 1131119811 /nfs/dbraw/zinc/11/98/11/1131119811.db2.gz DDGYCWGHCHQDRL-AWEZNQCLSA-N -1 1 289.753 3.899 20 10 CHCDMM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1C ZINC000816648786 1131120408 /nfs/dbraw/zinc/12/04/08/1131120408.db2.gz PHJFQKFNVVXCCE-HTQZYQBOSA-N -1 1 260.164 3.539 20 10 CHCDMM [O-]c1c(CN2CC[C@H]2c2ccccc2)ccc(F)c1F ZINC001233078003 1132570627 /nfs/dbraw/zinc/57/06/27/1132570627.db2.gz CFWLNTJGXFQTDV-AWEZNQCLSA-N -1 1 275.298 3.617 20 10 CHCDMM CN(Cc1cccc(F)c1F)Cc1c([O-])ccc(F)c1F ZINC001233335810 1132604112 /nfs/dbraw/zinc/60/41/12/1132604112.db2.gz MYKNLLXSFRNXEA-UHFFFAOYSA-N -1 1 299.267 3.581 20 10 CHCDMM Oc1c(F)cccc1C[N@H+](Cc1cccs1)C1CC1 ZINC000272284644 328199681 /nfs/dbraw/zinc/19/96/81/328199681.db2.gz NFTKZFACAXPORM-UHFFFAOYSA-N -1 1 277.364 3.757 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1cccc(CCCO)c1 ZINC000136265599 1125624672 /nfs/dbraw/zinc/62/46/72/1125624672.db2.gz OXBGKQBJXAETBK-UHFFFAOYSA-N -1 1 291.778 3.583 20 10 CHCDMM CCc1cnc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000187738816 1126913950 /nfs/dbraw/zinc/91/39/50/1126913950.db2.gz GEQRZGBCSISNPX-QMMMGPOBSA-N -1 1 298.358 3.540 20 10 CHCDMM [O-]c1ccc(Cl)c(F)c1CNc1ncccc1Cl ZINC000798189182 1131027802 /nfs/dbraw/zinc/02/78/02/1131027802.db2.gz SOSRHUOSDGLPIM-UHFFFAOYSA-N -1 1 287.121 3.845 20 10 CHCDMM CCCc1occc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759206 1118076857 /nfs/dbraw/zinc/07/68/57/1118076857.db2.gz GQBKNXRVRBWZDL-UHFFFAOYSA-N -1 1 293.750 3.521 20 10 CHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCC2(CC2)C1 ZINC000890760892 1118077584 /nfs/dbraw/zinc/07/75/84/1118077584.db2.gz DALQPCFTBVMCGN-NSHDSACASA-N -1 1 293.794 3.632 20 10 CHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCC2(CC2)C1 ZINC000890760891 1118078244 /nfs/dbraw/zinc/07/82/44/1118078244.db2.gz DALQPCFTBVMCGN-LLVKDONJSA-N -1 1 293.794 3.632 20 10 CHCDMM [O-]c1ccc(F)c(Cl)c1CN1Cc2cccc(F)c2C1 ZINC001237126519 1128982797 /nfs/dbraw/zinc/98/27/97/1128982797.db2.gz MIDREVIPMUKOMB-UHFFFAOYSA-N -1 1 295.716 3.840 20 10 CHCDMM CSc1ccc(NCc2cc(Cl)cc(F)c2[O-])nc1 ZINC001178059719 1121763370 /nfs/dbraw/zinc/76/33/70/1121763370.db2.gz GREWTJDHKDPWMI-UHFFFAOYSA-N -1 1 298.770 3.914 20 10 CHCDMM Cc1c(NCc2cc(F)cc(F)c2[O-])cccc1N(C)C ZINC001180326084 1121981101 /nfs/dbraw/zinc/98/11/01/1121981101.db2.gz GRWCPPDFOAQNMF-UHFFFAOYSA-N -1 1 292.329 3.657 20 10 CHCDMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180420559 1121989837 /nfs/dbraw/zinc/98/98/37/1121989837.db2.gz MEWLWVXGQAUFOS-NWDGAFQWSA-N -1 1 295.810 3.734 20 10 CHCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000775628932 1122829195 /nfs/dbraw/zinc/82/91/95/1122829195.db2.gz BSCYVFBLUWFBEW-CQSZACIVSA-N -1 1 294.757 3.850 20 10 CHCDMM COc1cccc(N[C@H](C)c2cc(F)cc(F)c2[O-])c1F ZINC000769985405 1129934609 /nfs/dbraw/zinc/93/46/09/1129934609.db2.gz MKMZOTBSZSBRAU-MRVPVSSYSA-N -1 1 297.276 3.991 20 10 CHCDMM COc1ccc(F)c(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790979583 1130345589 /nfs/dbraw/zinc/34/55/89/1130345589.db2.gz CAHZNECUUFSLQG-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM CCCCc1cccc(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170322971 1130482329 /nfs/dbraw/zinc/48/23/29/1130482329.db2.gz QKOZOVWRPXLQDJ-UHFFFAOYSA-N -1 1 299.370 3.735 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001234473068 1130647827 /nfs/dbraw/zinc/64/78/27/1130647827.db2.gz BAFUUPLPZFIQHR-JBLDHEPKSA-N -1 1 278.348 3.504 20 10 CHCDMM CC[C@@H]1CCCC[C@@H]1Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474607 1130648136 /nfs/dbraw/zinc/64/81/36/1130648136.db2.gz UTBRTBNMXBQHPF-ABAIWWIYSA-N -1 1 278.348 3.648 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)CCCC(C)C ZINC001234478043 1130648814 /nfs/dbraw/zinc/64/88/14/1130648814.db2.gz WUWLOHVRKLBUFK-LLVKDONJSA-N -1 1 280.364 3.894 20 10 CHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCn2cccc2C1 ZINC001236795923 1131008814 /nfs/dbraw/zinc/00/88/14/1131008814.db2.gz KMZNHWCYIHWOMH-UHFFFAOYSA-N -1 1 297.185 3.516 20 10 CHCDMM COCc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816522880 1131106375 /nfs/dbraw/zinc/10/63/75/1131106375.db2.gz SFNJOQGQXOWPMD-UHFFFAOYSA-N -1 1 295.741 3.943 20 10 CHCDMM CCOc1ncccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816558258 1131111230 /nfs/dbraw/zinc/11/12/30/1131111230.db2.gz SGBBFNKOLPITJH-UHFFFAOYSA-N -1 1 296.729 3.591 20 10 CHCDMM [O-]c1c(Cl)cc(F)cc1CN1CC2(C1)CCCC2 ZINC001237800445 1131140469 /nfs/dbraw/zinc/14/04/69/1131140469.db2.gz ONZZYCIRJVPZEH-UHFFFAOYSA-N -1 1 269.747 3.561 20 10 CHCDMM CC[C@@H](N[C@H](C)c1csnn1)c1cccc(Cl)c1[O-] ZINC000840886267 1132302104 /nfs/dbraw/zinc/30/21/04/1132302104.db2.gz UJWAUEFNCRETGK-LDYMZIIASA-N -1 1 297.811 3.699 20 10 CHCDMM [O-]c1cc(F)c(F)cc1CN1Cc2ccc(Cl)cc2C1 ZINC001142526918 1132403201 /nfs/dbraw/zinc/40/32/01/1132403201.db2.gz BPBNXNYYGQAPDJ-UHFFFAOYSA-N -1 1 295.716 3.840 20 10 CHCDMM Cc1ccc(NCc2cccc(Cl)c2[O-])c([N+](=O)[O-])c1 ZINC000164980648 1133814993 /nfs/dbraw/zinc/81/49/93/1133814993.db2.gz ZQEWGHIALIAMNZ-UHFFFAOYSA-N -1 1 292.722 3.874 20 10 CHCDMM O=C(NCc1cccc(Cl)c1[O-])NC1CCCCCC1 ZINC001222069040 1135189331 /nfs/dbraw/zinc/18/93/31/1135189331.db2.gz KJWKIIJIOULTQB-UHFFFAOYSA-N -1 1 296.798 3.568 20 10 CHCDMM CCc1nn(C)cc1N[C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287838029 522702847 /nfs/dbraw/zinc/70/28/47/522702847.db2.gz WACDXQBCLSOYFL-LBPRGKRZSA-N -1 1 293.798 3.905 20 10 CHCDMM C[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1(F)F ZINC001237934774 1131153566 /nfs/dbraw/zinc/15/35/66/1131153566.db2.gz NSLYQCXCUYXKFU-MRVPVSSYSA-N -1 1 293.716 3.662 20 10 CHCDMM CCN(Cc1cc(F)c(Cl)cc1[O-])CC(F)(F)F ZINC001237949485 1131154852 /nfs/dbraw/zinc/15/48/52/1131154852.db2.gz MWSCRONTCOGAAB-UHFFFAOYSA-N -1 1 285.668 3.569 20 10 CHCDMM CC[C@@H](Nc1c(C)nn(C)c1C)c1cccc(Cl)c1[O-] ZINC000287810933 1127313397 /nfs/dbraw/zinc/31/33/97/1127313397.db2.gz URIAIHKWSHFVKY-CYBMUJFWSA-N -1 1 293.798 3.959 20 10 CHCDMM COc1cc(NCc2cccc(Cl)c2[O-])cc(OC)c1 ZINC000158051769 1127415594 /nfs/dbraw/zinc/41/55/94/1127415594.db2.gz YBOSSHOKPBRELR-UHFFFAOYSA-N -1 1 293.750 3.675 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1cccc2c1CCO2 ZINC000690263726 1128256455 /nfs/dbraw/zinc/25/64/55/1128256455.db2.gz CUGPTZIDSHFWLR-UHFFFAOYSA-N -1 1 275.735 3.593 20 10 CHCDMM C/C(=C\C(C)(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759161 1118076349 /nfs/dbraw/zinc/07/63/49/1118076349.db2.gz FGVAOYUNEXWASD-CSKARUKUSA-N -1 1 281.783 3.654 20 10 CHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCCC[C@@H](F)C1 ZINC001237122776 1128978748 /nfs/dbraw/zinc/97/87/48/1128978748.db2.gz YRQHOQXOZBEAJP-SECBINFHSA-N -1 1 275.726 3.509 20 10 CHCDMM O=[N+]([O-])c1ccsc1NCc1cccc(Cl)c1[O-] ZINC001187862356 1122445252 /nfs/dbraw/zinc/44/52/52/1122445252.db2.gz UDSBDCKSXQNFHR-UHFFFAOYSA-N -1 1 284.724 3.627 20 10 CHCDMM CCCCc1cc(NCc2cccc(Cl)c2[O-])ncn1 ZINC001187862271 1122445510 /nfs/dbraw/zinc/44/55/10/1122445510.db2.gz RHWRZHWSSVHXET-UHFFFAOYSA-N -1 1 291.782 3.790 20 10 CHCDMM CC[C@H](N[C@H](C)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000287201018 1122569196 /nfs/dbraw/zinc/56/91/96/1122569196.db2.gz DSVVATJGYLSLAZ-XCBNKYQSSA-N -1 1 265.250 3.523 20 10 CHCDMM CC(C)CCC[C@H](C)NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193236772 1122681939 /nfs/dbraw/zinc/68/19/39/1122681939.db2.gz QKTTYMZAYMFRAQ-JTQLQIEISA-N -1 1 299.798 3.696 20 10 CHCDMM [O-]c1c(Cl)cccc1CN1CCc2ccc(F)cc2C1 ZINC000775702098 1122914305 /nfs/dbraw/zinc/91/43/05/1122914305.db2.gz QBOWIIYBYCEESQ-UHFFFAOYSA-N -1 1 291.753 3.743 20 10 CHCDMM C[C@@H](c1ccco1)[N@@H+](C)Cc1c(O)cccc1Cl ZINC000131097214 1129244037 /nfs/dbraw/zinc/24/40/37/1129244037.db2.gz NWNVIGNSNYHPHZ-JTQLQIEISA-N -1 1 265.740 3.832 20 10 CHCDMM [O-]c1ccc(Cl)c(F)c1CNc1cccc2c1CCO2 ZINC000793325156 1130542145 /nfs/dbraw/zinc/54/21/45/1130542145.db2.gz IHAIAGLZEBUMKC-UHFFFAOYSA-N -1 1 293.725 3.732 20 10 CHCDMM CN(Cc1cc(Cl)c(Cl)cc1[O-])CC(F)(F)F ZINC001236794109 1131008276 /nfs/dbraw/zinc/00/82/76/1131008276.db2.gz PLJSKTAGZGNRQT-UHFFFAOYSA-N -1 1 288.096 3.693 20 10 CHCDMM C[C@]1(CF)CC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236794235 1131010193 /nfs/dbraw/zinc/01/01/93/1131010193.db2.gz QSZQIPXYZGQYCE-CYBMUJFWSA-N -1 1 292.181 3.881 20 10 CHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCCC(F)(F)C1 ZINC001237078770 1131043116 /nfs/dbraw/zinc/04/31/16/1131043116.db2.gz WXXIPICQHDOLJI-UHFFFAOYSA-N -1 1 296.144 3.930 20 10 CHCDMM CN(Cc1ccccc1F)Cc1c([O-])ccc(F)c1Cl ZINC001237124166 1131055032 /nfs/dbraw/zinc/05/50/32/1131055032.db2.gz KDUHRAQDHHJQMG-UHFFFAOYSA-N -1 1 297.732 3.956 20 10 CHCDMM Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816557034 1131111574 /nfs/dbraw/zinc/11/15/74/1131111574.db2.gz BXARLQDWQAEEBM-UHFFFAOYSA-N -1 1 266.703 3.500 20 10 CHCDMM C[C@]1(F)CCCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804838 1131142320 /nfs/dbraw/zinc/14/23/20/1131142320.db2.gz HGPOKFAOXGOPDK-AWEZNQCLSA-N -1 1 289.753 3.899 20 10 CHCDMM C[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000818355766 1131210567 /nfs/dbraw/zinc/21/05/67/1131210567.db2.gz CNISMQZBKKXUFF-RQJHMYQMSA-N -1 1 267.678 3.647 20 10 CHCDMM [O-]c1cccc(F)c1CN1Cc2ccccc2C(F)(F)C1 ZINC001137831678 1131420490 /nfs/dbraw/zinc/42/04/90/1131420490.db2.gz JUQGLRHZESJYHY-UHFFFAOYSA-N -1 1 293.288 3.639 20 10 CHCDMM [O-]c1cccc(F)c1CN1Cc2ccc(Cl)cc2C1 ZINC001137839992 1131421094 /nfs/dbraw/zinc/42/10/94/1131421094.db2.gz OTOVSKVDPKSSFG-UHFFFAOYSA-N -1 1 277.726 3.701 20 10 CHCDMM CC(C)c1nc(CN(C)Cc2cccc(F)c2[O-])cs1 ZINC001138128480 1131470404 /nfs/dbraw/zinc/47/04/04/1131470404.db2.gz MUUQADXTAPHQAY-UHFFFAOYSA-N -1 1 294.395 3.743 20 10 CHCDMM CCc1ccc(CN(C)Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139685971 1131628536 /nfs/dbraw/zinc/62/85/36/1131628536.db2.gz HXPOENYWAJEVQP-UHFFFAOYSA-N -1 1 291.341 3.865 20 10 CHCDMM [O-]c1c(F)ccc(F)c1CN(Cc1ccccc1)C1CC1 ZINC001139686280 1131629178 /nfs/dbraw/zinc/62/91/78/1131629178.db2.gz SBVKRCDLTACSOL-UHFFFAOYSA-N -1 1 289.325 3.835 20 10 CHCDMM Cc1cccc2c1CN(Cc1cccc(Cl)c1[O-])C2 ZINC001231910238 1132398566 /nfs/dbraw/zinc/39/85/66/1132398566.db2.gz KFCZJGTYEWMVKP-UHFFFAOYSA-N -1 1 273.763 3.870 20 10 CHCDMM Cc1c(NCc2cc(Cl)cc(F)c2[O-])n[nH]c1C(C)C ZINC000843426243 1132532175 /nfs/dbraw/zinc/53/21/75/1132532175.db2.gz MZJPXNHOIMSLPK-UHFFFAOYSA-N -1 1 297.761 3.952 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCC[C@@H]1F ZINC001233495647 1132629072 /nfs/dbraw/zinc/62/90/72/1132629072.db2.gz JABMDVYUWLZKHD-NHYWBVRUSA-N -1 1 296.338 3.740 20 10 CHCDMM COCCc1ccccc1NCc1cccc(Cl)c1[O-] ZINC000191679743 533325538 /nfs/dbraw/zinc/32/55/38/533325538.db2.gz UBCIJJSQOXLUPO-UHFFFAOYSA-N -1 1 291.778 3.847 20 10 CHCDMM CC(C(=O)NCc1cccc(Cl)c1[O-])=C1CCCC1 ZINC000890760584 1118076309 /nfs/dbraw/zinc/07/63/09/1118076309.db2.gz UHNIRRULKOAEPC-UHFFFAOYSA-N -1 1 279.767 3.552 20 10 CHCDMM O=C(C=C1CCCCC1)NCc1cccc(Cl)c1[O-] ZINC000890758331 1118075311 /nfs/dbraw/zinc/07/53/11/1118075311.db2.gz VWRKRRMJOPAFCW-UHFFFAOYSA-N -1 1 279.767 3.552 20 10 CHCDMM CCC1(C(=O)NCc2cccc(Cl)c2[O-])CCCC1 ZINC000890760411 1118077151 /nfs/dbraw/zinc/07/71/51/1118077151.db2.gz REZRAJKVLXRPOD-UHFFFAOYSA-N -1 1 281.783 3.632 20 10 CHCDMM [O-]c1c(Cl)cccc1CNCc1csc(C2CC2)n1 ZINC000708208774 1121462890 /nfs/dbraw/zinc/46/28/90/1121462890.db2.gz QOBQUVPLODIATL-UHFFFAOYSA-N -1 1 294.807 3.669 20 10 CHCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc(F)cc1 ZINC001177366488 1121725533 /nfs/dbraw/zinc/72/55/33/1121725533.db2.gz FGLHSFZEKVDVIN-UHFFFAOYSA-N -1 1 269.678 3.936 20 10 CHCDMM Cc1ccc(SCC(=O)c2ccc([O-])c(O)c2)c(C)c1 ZINC000034980055 1124071672 /nfs/dbraw/zinc/07/16/72/1124071672.db2.gz GMNWXLKRJXYFSY-UHFFFAOYSA-N -1 1 288.368 3.690 20 10 CHCDMM CSc1ccc(NCc2c([O-])ccc(Cl)c2F)nc1 ZINC000790240846 1130300535 /nfs/dbraw/zinc/30/05/35/1130300535.db2.gz KLDIGPWYAJHXGT-UHFFFAOYSA-N -1 1 298.770 3.914 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCc2cccc(C)c21 ZINC001234473917 1130647556 /nfs/dbraw/zinc/64/75/56/1130647556.db2.gz MDQLBORUPIGOQU-MRXNPFEDSA-N -1 1 298.338 3.675 20 10 CHCDMM CCCCC[C@@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473036 1130647703 /nfs/dbraw/zinc/64/77/03/1130647703.db2.gz AHIMIZUWSGESCU-SNVBAGLBSA-N -1 1 266.337 3.648 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1cccc(F)c1 ZINC001234474269 1130647752 /nfs/dbraw/zinc/64/77/52/1130647752.db2.gz QIMDYJNKHPDETF-SNVBAGLBSA-N -1 1 290.290 3.580 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001234473070 1130647763 /nfs/dbraw/zinc/64/77/63/1130647763.db2.gz BAFUUPLPZFIQHR-JFGNBEQYSA-N -1 1 278.348 3.504 20 10 CHCDMM CCCC[C@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474141 1130647833 /nfs/dbraw/zinc/64/78/33/1130647833.db2.gz OFYABWCDPJBIOM-NSHDSACASA-N -1 1 266.337 3.648 20 10 CHCDMM CN(Cc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000780754025 1130689920 /nfs/dbraw/zinc/68/99/20/1130689920.db2.gz KUXJBIBDLYURMJ-UHFFFAOYSA-N -1 1 265.715 3.821 20 10 CHCDMM C[C@H]1Cc2ccccc2CN1Cc1c([O-])cc(F)cc1F ZINC001140584538 1131808754 /nfs/dbraw/zinc/80/87/54/1131808754.db2.gz WCGVDMXGMYWWTR-NSHDSACASA-N -1 1 289.325 3.617 20 10 CHCDMM [O-]c1c(CN2CCc3occc3C2)cccc1C(F)(F)F ZINC001233419226 1132620417 /nfs/dbraw/zinc/62/04/17/1132620417.db2.gz OFZDNJALSVJCRM-UHFFFAOYSA-N -1 1 297.276 3.562 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCC[C@@H]1C ZINC001233494252 1132627809 /nfs/dbraw/zinc/62/78/09/1132627809.db2.gz DNZKNXIZDOYWND-BONVTDFDSA-N -1 1 278.348 3.648 20 10 CHCDMM CCCC[C@@H](CC)C(=O)NCc1cccc(Cl)c1[O-] ZINC001159033095 1132803661 /nfs/dbraw/zinc/80/36/61/1132803661.db2.gz BGFIVBVDWFXTEI-LLVKDONJSA-N -1 1 283.799 3.878 20 10 CHCDMM CN(Cc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC001205143340 1133536226 /nfs/dbraw/zinc/53/62/26/1133536226.db2.gz HRVFWTMXMHUNTP-UHFFFAOYSA-N -1 1 265.715 3.821 20 10 CHCDMM Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1F ZINC000708487392 1119492126 /nfs/dbraw/zinc/49/21/26/1119492126.db2.gz VYVGXWMJWBKKQJ-UHFFFAOYSA-N -1 1 267.250 3.730 20 10 CHCDMM CC[C@@H](N[C@H](C)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000287201012 1127296671 /nfs/dbraw/zinc/29/66/71/1127296671.db2.gz DSVVATJGYLSLAZ-GMSGAONNSA-N -1 1 265.250 3.523 20 10 CHCDMM CC(C)c1nn(C)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000294745572 1127596401 /nfs/dbraw/zinc/59/64/01/1127596401.db2.gz RCWIUIRSYYVMED-UHFFFAOYSA-N -1 1 297.761 3.654 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001234474246 1128194605 /nfs/dbraw/zinc/19/46/05/1128194605.db2.gz PTTZAUIQICUUAC-IAZYJMLFSA-N -1 1 278.348 3.504 20 10 CHCDMM [O-]c1c(Br)cccc1CNc1ccccc1F ZINC000042411680 1118031044 /nfs/dbraw/zinc/03/10/44/1118031044.db2.gz PHRFZOVIFKPFGR-UHFFFAOYSA-N -1 1 296.139 3.906 20 10 CHCDMM CC(C)c1occc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759851 1118076202 /nfs/dbraw/zinc/07/62/02/1118076202.db2.gz SHKZAZRINBBZAZ-UHFFFAOYSA-N -1 1 293.750 3.692 20 10 CHCDMM C/C(=C/C(=O)NCc1cccc(Cl)c1[O-])C(C)(C)C ZINC000890760740 1118077011 /nfs/dbraw/zinc/07/70/11/1118077011.db2.gz YHDWPYUEXWOWGI-NTMALXAHSA-N -1 1 281.783 3.654 20 10 CHCDMM [O-]c1c(F)cc(F)cc1CNc1cnn(C2CCCC2)c1 ZINC000922623753 1120565838 /nfs/dbraw/zinc/56/58/38/1120565838.db2.gz WROIZUGFEYKELZ-UHFFFAOYSA-N -1 1 293.317 3.594 20 10 CHCDMM [O-]c1cccc(F)c1CN1CCc2c3ccccc3oc2C1 ZINC001137839543 1121438927 /nfs/dbraw/zinc/43/89/27/1121438927.db2.gz CKFNUTAJWSNJLW-UHFFFAOYSA-N -1 1 297.329 3.836 20 10 CHCDMM C[C@@H](Nc1cccc2c1CCO2)c1cc(F)cc(F)c1[O-] ZINC000794836363 1123972694 /nfs/dbraw/zinc/97/26/94/1123972694.db2.gz NSHSAIUGCGYQLG-SECBINFHSA-N -1 1 291.297 3.778 20 10 CHCDMM CC1=CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000769447007 1129910189 /nfs/dbraw/zinc/91/01/89/1129910189.db2.gz RKUBTKNZSCSCMG-UHFFFAOYSA-N -1 1 272.175 3.851 20 10 CHCDMM C[C@H](NCc1nc(C(C)(C)C)co1)c1c([O-])cccc1F ZINC000903313220 1130152066 /nfs/dbraw/zinc/15/20/66/1130152066.db2.gz KZNMUDCWVHLKCB-JTQLQIEISA-N -1 1 292.354 3.668 20 10 CHCDMM [O-]c1ccc(Cl)c(F)c1CNc1cccc(F)c1 ZINC000790950815 1130340198 /nfs/dbraw/zinc/34/01/98/1130340198.db2.gz FRWHRMQGGDFVQZ-UHFFFAOYSA-N -1 1 269.678 3.936 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1ccccc1C ZINC001234474626 1130647473 /nfs/dbraw/zinc/64/74/73/1130647473.db2.gz UTPRIAAEJAFQCX-LBPRGKRZSA-N -1 1 286.327 3.749 20 10 CHCDMM CC/C=C(\C)[C@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234475672 1130647615 /nfs/dbraw/zinc/64/76/15/1130647615.db2.gz IHADXUDFRUUGQB-VSGCLNPGSA-N -1 1 278.348 3.814 20 10 CHCDMM CCC(CC)[C@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474148 1130647694 /nfs/dbraw/zinc/64/76/94/1130647694.db2.gz OJQHRSMXVMLJSU-HNNXBMFYSA-N -1 1 280.364 3.894 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](CC(C)C)C(C)C ZINC001234474887 1130647888 /nfs/dbraw/zinc/64/78/88/1130647888.db2.gz YNPLIHMPIJXSCW-HNNXBMFYSA-N -1 1 280.364 3.750 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1cccc(C)c1 ZINC001234477622 1130648958 /nfs/dbraw/zinc/64/89/58/1130648958.db2.gz UVSMXDFIJSLPFT-LBPRGKRZSA-N -1 1 286.327 3.749 20 10 CHCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(C2CCCC2)cc1 ZINC000812239786 1130678543 /nfs/dbraw/zinc/67/85/43/1130678543.db2.gz FFDJZOOXDZXGGC-LCYFTJDESA-N -1 1 289.425 3.833 20 10 CHCDMM COc1cc(N[C@H](C)c2cc(F)cc(F)c2[O-])ccc1F ZINC000783306706 1130813823 /nfs/dbraw/zinc/81/38/23/1130813823.db2.gz LFSFCEMKBLXYOH-MRVPVSSYSA-N -1 1 297.276 3.991 20 10 CHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCCCC(F)(F)C1 ZINC001237119128 1131052477 /nfs/dbraw/zinc/05/24/77/1131052477.db2.gz BCYJXMJAIONYCQ-UHFFFAOYSA-N -1 1 293.716 3.806 20 10 CHCDMM C[C@@]1(F)CCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122854 1131055773 /nfs/dbraw/zinc/05/57/73/1131055773.db2.gz ZSIMGQNZLORADG-CYBMUJFWSA-N -1 1 275.726 3.509 20 10 CHCDMM COc1ccc2c(c1)CCN2Cc1cccc([O-])c1Cl ZINC000816478115 1131097229 /nfs/dbraw/zinc/09/72/29/1131097229.db2.gz UXBAOLRRLPFSMS-UHFFFAOYSA-N -1 1 289.762 3.617 20 10 CHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCC[C@H]1C(F)(F)F ZINC001237933604 1131154214 /nfs/dbraw/zinc/15/42/14/1131154214.db2.gz DSGKUKZLDOVZQB-NSHDSACASA-N -1 1 297.679 3.711 20 10 CHCDMM Cc1cc(O)c(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)cc1Cl ZINC001231868665 1132385619 /nfs/dbraw/zinc/38/56/19/1132385619.db2.gz VZFCSVJBRITMFE-KBPBESRZSA-N -1 1 289.753 3.626 20 10 CHCDMM Cc1c(NCc2cccc(Cl)c2[O-])n[nH]c1C(C)C ZINC000843426415 1132532817 /nfs/dbraw/zinc/53/28/17/1132532817.db2.gz SPHPMOAPYRXBSK-UHFFFAOYSA-N -1 1 279.771 3.813 20 10 CHCDMM [O-]c1ccc(F)c(F)c1CN1Cc2cccc(Cl)c2C1 ZINC001233335939 1132603325 /nfs/dbraw/zinc/60/33/25/1132603325.db2.gz RTJHWPZFZSDTKD-UHFFFAOYSA-N -1 1 295.716 3.840 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1C=CCCC1 ZINC001233494188 1132627190 /nfs/dbraw/zinc/62/71/90/1132627190.db2.gz AKNBHIKLOZFMHT-NSHDSACASA-N -1 1 276.332 3.568 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)C1CCC1 ZINC001233498832 1132629548 /nfs/dbraw/zinc/62/95/48/1132629548.db2.gz WHSULGPXLCPZGL-JTQLQIEISA-N -1 1 278.348 3.648 20 10 CHCDMM CCC(CC)(CC)C(=O)NCc1cccc(Cl)c1[O-] ZINC001159033346 1132802961 /nfs/dbraw/zinc/80/29/61/1132802961.db2.gz GOSGNEMDVADRBF-UHFFFAOYSA-N -1 1 283.799 3.878 20 10 CHCDMM CCCC[C@H](CC)C(=O)NCc1cccc(Cl)c1[O-] ZINC001159033096 1132802638 /nfs/dbraw/zinc/80/26/38/1132802638.db2.gz BGFIVBVDWFXTEI-NSHDSACASA-N -1 1 283.799 3.878 20 10 CHCDMM C[C@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccsc1 ZINC001159033617 1132803754 /nfs/dbraw/zinc/80/37/54/1132803754.db2.gz KOYLFRVBTFODCJ-VIFPVBQESA-N -1 1 295.791 3.527 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1nc2ccccc2o1 ZINC001164341278 1133215107 /nfs/dbraw/zinc/21/51/07/1133215107.db2.gz DPZFHEUCDUEBJQ-UHFFFAOYSA-N -1 1 274.707 3.799 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1cccc(C2CC2)n1 ZINC000293863496 263151088 /nfs/dbraw/zinc/15/10/88/263151088.db2.gz IKUCTQUMTYNMEY-UHFFFAOYSA-N -1 1 274.751 3.930 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](CC(C)C)C(C)C ZINC001234474888 1128194491 /nfs/dbraw/zinc/19/44/91/1128194491.db2.gz YNPLIHMPIJXSCW-OAHLLOKOSA-N -1 1 280.364 3.750 20 10 CHCDMM CCC[C@H](Oc1cc([O-])c(O)cc1C(C)=O)C(C)C ZINC001234474251 1128194543 /nfs/dbraw/zinc/19/45/43/1128194543.db2.gz PULNUIVFEMUOBU-AWEZNQCLSA-N -1 1 266.337 3.504 20 10 CHCDMM C/C=C(/C=C\C(=O)NCc1cccc(Cl)c1[O-])CC ZINC000890760087 1118077182 /nfs/dbraw/zinc/07/71/82/1118077182.db2.gz HIPJRRAZTANQRT-PXGQUBIOSA-N -1 1 279.767 3.574 20 10 CHCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC3(CC3)C2)c1O ZINC000695086570 1120105240 /nfs/dbraw/zinc/10/52/40/1120105240.db2.gz TXGMMRIEIQHLEZ-UHFFFAOYSA-N -1 1 293.794 3.624 20 10 CHCDMM CN(Cc1ccccn1)Cc1c([O-])ccc(Cl)c1Cl ZINC001237077310 1128963647 /nfs/dbraw/zinc/96/36/47/1128963647.db2.gz FNTOLZUALZPSNE-UHFFFAOYSA-N -1 1 297.185 3.726 20 10 CHCDMM CC(C)(C)CCCC(=O)NCc1cccc(Cl)c1[O-] ZINC001180410457 1121987373 /nfs/dbraw/zinc/98/73/73/1121987373.db2.gz QFVURWNIYHQTKG-UHFFFAOYSA-N -1 1 283.799 3.878 20 10 CHCDMM [O-]c1c(Cl)cccc1CN1CCc2cc(F)ccc2C1 ZINC000779598448 1129030306 /nfs/dbraw/zinc/03/03/06/1129030306.db2.gz ISXQADAAKJUDPV-UHFFFAOYSA-N -1 1 291.753 3.743 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001234473064 1130647228 /nfs/dbraw/zinc/64/72/28/1130647228.db2.gz BAFUUPLPZFIQHR-CKYFFXLPSA-N -1 1 278.348 3.504 20 10 CHCDMM CCCC[C@@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474140 1130647390 /nfs/dbraw/zinc/64/73/90/1130647390.db2.gz OFYABWCDPJBIOM-LLVKDONJSA-N -1 1 266.337 3.648 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](c1ccccc1)C1CC1 ZINC001234473132 1130647551 /nfs/dbraw/zinc/64/75/51/1130647551.db2.gz CJQUHHJQWLYTDP-GOSISDBHSA-N -1 1 298.338 3.831 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1OC1CCCCCCC1 ZINC001234477495 1130649091 /nfs/dbraw/zinc/64/90/91/1130649091.db2.gz STFGXHGBBBIYNQ-UHFFFAOYSA-N -1 1 278.348 3.792 20 10 CHCDMM C[C@@H](NC1(C(F)F)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815623254 1131011135 /nfs/dbraw/zinc/01/11/35/1131011135.db2.gz RXPDPHMNOGMHCS-SSDOTTSWSA-N -1 1 295.251 3.859 20 10 CHCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccccc1 ZINC000816524041 1131108296 /nfs/dbraw/zinc/10/82/96/1131108296.db2.gz OGAOKAWQFDBSMT-UHFFFAOYSA-N -1 1 251.688 3.797 20 10 CHCDMM CC(C)n1cc(NCc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816562876 1131111841 /nfs/dbraw/zinc/11/18/41/1131111841.db2.gz CDPAWDYHTJXSLI-UHFFFAOYSA-N -1 1 283.734 3.574 20 10 CHCDMM CCc1nc(CN[C@H](CC)c2cccc(Cl)c2[O-])co1 ZINC000834899391 1131723920 /nfs/dbraw/zinc/72/39/20/1131723920.db2.gz POHYBSJCVRHNDO-CYBMUJFWSA-N -1 1 294.782 3.837 20 10 CHCDMM [O-]c1ccc(F)c(F)c1CN1CCCC[C@@H]1C(F)(F)F ZINC001233334672 1132603042 /nfs/dbraw/zinc/60/30/42/1132603042.db2.gz PKXMMQAGXKAWGM-LLVKDONJSA-N -1 1 295.251 3.587 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1OC(C1CC1)C1CC1 ZINC001233494205 1132628045 /nfs/dbraw/zinc/62/80/45/1132628045.db2.gz ARDOIUJVMHVKNU-UHFFFAOYSA-N -1 1 290.359 3.648 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)C(C)C ZINC001233496569 1132628948 /nfs/dbraw/zinc/62/89/48/1132628948.db2.gz WXWYJIZELDTEDH-SNVBAGLBSA-N -1 1 266.337 3.504 20 10 CHCDMM CC(C)c1cc(NCc2c([O-])ccc(Cl)c2F)no1 ZINC000790241329 1130299783 /nfs/dbraw/zinc/29/97/83/1130299783.db2.gz UNKBRPAIWDGLHF-UHFFFAOYSA-N -1 1 284.718 3.908 20 10 CHCDMM [O-]c1ccc(Cl)c(F)c1CNc1nnc(C2CC2)s1 ZINC000790244207 1130300773 /nfs/dbraw/zinc/30/07/73/1130300773.db2.gz YWSJGCYNKPLZFI-UHFFFAOYSA-N -1 1 299.758 3.526 20 10 CHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@@H]1CF ZINC001237083828 1131046349 /nfs/dbraw/zinc/04/63/49/1131046349.db2.gz CWSBRANVHZIABK-MRVPVSSYSA-N -1 1 278.154 3.633 20 10 CHCDMM C[N@@H+](Cc1c([O-])ccc(Cl)c1Cl)C1CC(F)(F)C1 ZINC001237078422 1131047011 /nfs/dbraw/zinc/04/70/11/1131047011.db2.gz SYSUGFDVUDRGPD-UHFFFAOYSA-N -1 1 296.144 3.929 20 10 CHCDMM CC[C@H](C[C@@H](C)CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473141 1128194326 /nfs/dbraw/zinc/19/43/26/1128194326.db2.gz CKYOZNGUOAXCLP-CMPLNLGQSA-N -1 1 280.364 3.894 20 10 CHCDMM CCC[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)C(C)C ZINC001234474253 1128194933 /nfs/dbraw/zinc/19/49/33/1128194933.db2.gz PULNUIVFEMUOBU-CQSZACIVSA-N -1 1 266.337 3.504 20 10 CHCDMM Cc1cc2cc(C=C3SC(=S)[N-]C3=O)oc2cc1C ZINC000178548562 1119039032 /nfs/dbraw/zinc/03/90/32/1119039032.db2.gz LHMZZRCKFNVTGK-WUXMJOGZSA-N -1 1 289.381 3.538 20 10 CHCDMM COc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756797305 1120871713 /nfs/dbraw/zinc/87/17/13/1120871713.db2.gz YHYCNCZPWFZPSL-VIFPVBQESA-N -1 1 279.286 3.852 20 10 CHCDMM C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894017969 1121454430 /nfs/dbraw/zinc/45/44/30/1121454430.db2.gz UWSKTKIJVMWRHB-JTQLQIEISA-N -1 1 293.313 3.569 20 10 CHCDMM Cc1ccc(SCC(=O)c2ccc([O-])c(O)c2)cc1C ZINC000034980048 1124072127 /nfs/dbraw/zinc/07/21/27/1124072127.db2.gz IYDHWBDFKDBMIT-UHFFFAOYSA-N -1 1 288.368 3.690 20 10 CHCDMM CC(C)CCn1ccc(NCc2cc(F)cc(F)c2[O-])n1 ZINC000883048298 1125369934 /nfs/dbraw/zinc/36/99/34/1125369934.db2.gz LVLVBXLAIXRSTH-UHFFFAOYSA-N -1 1 295.333 3.525 20 10 CHCDMM COCc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000767737427 1129810647 /nfs/dbraw/zinc/81/06/47/1129810647.db2.gz GBNHYSPHWDRIFL-UHFFFAOYSA-N -1 1 295.741 3.943 20 10 CHCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc(Cl)cn1 ZINC000789558816 1130262525 /nfs/dbraw/zinc/26/25/25/1130262525.db2.gz WFSIYZJWGUTIEA-UHFFFAOYSA-N -1 1 287.121 3.845 20 10 CHCDMM CCc1cccc(CC)c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170321025 1130481995 /nfs/dbraw/zinc/48/19/95/1130481995.db2.gz VMLMKWUIQIHIDT-UHFFFAOYSA-N -1 1 299.370 3.517 20 10 CHCDMM CCCC/C=C/[C@@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474983 1130647982 /nfs/dbraw/zinc/64/79/82/1130647982.db2.gz BPJWSTUFHOHGKN-WSKFYRRCSA-N -1 1 278.348 3.814 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)CCC(C)C ZINC001234473379 1130648082 /nfs/dbraw/zinc/64/80/82/1130648082.db2.gz FRDPIZLVSNVKGJ-SNVBAGLBSA-N -1 1 266.337 3.504 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCC[C@H](C)[C@H]1C ZINC001234477575 1130648671 /nfs/dbraw/zinc/64/86/71/1130648671.db2.gz UOLYLZSGHMRZIA-FEUHOPSXSA-N -1 1 278.348 3.504 20 10 CHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCC[C@@H](F)C1 ZINC001236795601 1131008387 /nfs/dbraw/zinc/00/83/87/1131008387.db2.gz HSDJXINPOOULAI-SECBINFHSA-N -1 1 278.154 3.633 20 10 CHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCC(F)(F)C1 ZINC001237077232 1131044890 /nfs/dbraw/zinc/04/48/90/1131044890.db2.gz DJTMOYYKLSHZDI-UHFFFAOYSA-N -1 1 282.117 3.540 20 10 CHCDMM C[C@@H]1C[C@H](F)CN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237077622 1131047469 /nfs/dbraw/zinc/04/74/69/1131047469.db2.gz IVQWSQCHFXXLAF-SFYZADRCSA-N -1 1 278.154 3.631 20 10 CHCDMM C[C@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1(F)F ZINC001237934776 1131152871 /nfs/dbraw/zinc/15/28/71/1131152871.db2.gz NSLYQCXCUYXKFU-QMMMGPOBSA-N -1 1 293.716 3.662 20 10 CHCDMM Cc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])c(C)n1 ZINC001116588465 1131155724 /nfs/dbraw/zinc/15/57/24/1131155724.db2.gz GOILCAUVCHTKBR-SECBINFHSA-N -1 1 278.302 3.855 20 10 CHCDMM CN(Cc1ccccc1O)Cc1cc(Cl)c([O-])cc1F ZINC001238150068 1131174192 /nfs/dbraw/zinc/17/41/92/1131174192.db2.gz QQCBYOCNLQNPAE-UHFFFAOYSA-N -1 1 295.741 3.522 20 10 CHCDMM [O-]c1c(F)cccc1CN1Cc2ccc(Cl)cc2C1 ZINC001138129602 1131469826 /nfs/dbraw/zinc/46/98/26/1131469826.db2.gz MFSWCIBKGWQOKT-UHFFFAOYSA-N -1 1 277.726 3.701 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)C(C)C ZINC001233498892 1132629180 /nfs/dbraw/zinc/62/91/80/1132629180.db2.gz WXWYJIZELDTEDH-JTQLQIEISA-N -1 1 266.337 3.504 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](CC)C(C)C ZINC001233496051 1132629635 /nfs/dbraw/zinc/62/96/35/1132629635.db2.gz PKTUVNVOZSLARB-OAHLLOKOSA-N -1 1 280.364 3.894 20 10 CHCDMM [O-]c1cc(F)c(F)cc1CN[C@@H](c1ccccc1)C(F)F ZINC001207873148 1133857833 /nfs/dbraw/zinc/85/78/33/1133857833.db2.gz LWZCPJLDOPWMEX-AWEZNQCLSA-N -1 1 299.267 3.766 20 10 CHCDMM CCC(CC)(C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(=O)[O-] ZINC001595078054 979360147 /nfs/dbraw/zinc/36/01/47/979360147.db2.gz XLVPEULLAGZAOE-SNVBAGLBSA-N -1 1 299.798 3.587 20 10 CHCDMM C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1c([O-])cccc1F ZINC000886611079 1125696977 /nfs/dbraw/zinc/69/69/77/1125696977.db2.gz RWHPDQDRHSIADM-KRTXAFLBSA-N -1 1 277.261 3.523 20 10 CHCDMM CCc1cnc(CN[C@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000187738833 1126914018 /nfs/dbraw/zinc/91/40/18/1126914018.db2.gz GEQRZGBCSISNPX-MRVPVSSYSA-N -1 1 298.358 3.540 20 10 CHCDMM CCCC1(C(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC000890760737 1118076637 /nfs/dbraw/zinc/07/66/37/1118076637.db2.gz YFBFOJXNWOVDOK-UHFFFAOYSA-N -1 1 281.783 3.632 20 10 CHCDMM [O-]c1c(F)cc(F)cc1CNc1ccc2c(c1)CCC2 ZINC000708420886 1119450609 /nfs/dbraw/zinc/45/06/09/1119450609.db2.gz NPOWONFRPMAERI-UHFFFAOYSA-N -1 1 275.298 3.771 20 10 CHCDMM Oc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001236799250 1128893073 /nfs/dbraw/zinc/89/30/73/1128893073.db2.gz MYADZEGMFXZIKH-DXBFQKDVSA-N -1 1 290.165 3.631 20 10 CHCDMM C[C@@H](Nc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1[O-] ZINC000756833465 1120924637 /nfs/dbraw/zinc/92/46/37/1120924637.db2.gz ZUQUZMLTFWPSIC-SECBINFHSA-N -1 1 291.297 3.778 20 10 CHCDMM CCC[C@@](C)(CC)C(=O)NCc1cccc(Cl)c1[O-] ZINC001180409908 1121987942 /nfs/dbraw/zinc/98/79/42/1121987942.db2.gz IHCOJMOIJBWKAL-OAHLLOKOSA-N -1 1 283.799 3.878 20 10 CHCDMM COc1c(F)cc(F)cc1NCc1cccc(Cl)c1[O-] ZINC000775756212 1122943133 /nfs/dbraw/zinc/94/31/33/1122943133.db2.gz AUWCFWGQDDEFBE-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM Cc1ccc(NCc2cc(Cl)cc(F)c2[O-])nc1 ZINC000776032352 1123043125 /nfs/dbraw/zinc/04/31/25/1123043125.db2.gz AHEVYGFTEMZNIK-UHFFFAOYSA-N -1 1 266.703 3.500 20 10 CHCDMM CCc1cccnc1NCc1cc(Cl)cc(F)c1[O-] ZINC001201587777 1123128523 /nfs/dbraw/zinc/12/85/23/1123128523.db2.gz SSHAPODIOJSELJ-UHFFFAOYSA-N -1 1 280.730 3.754 20 10 CHCDMM C[C@@H](NCC(F)(F)c1ccccc1)c1ccc(F)cc1[O-] ZINC000788979438 1130223566 /nfs/dbraw/zinc/22/35/66/1130223566.db2.gz GTFYCOLXNIPPEY-LLVKDONJSA-N -1 1 295.304 3.974 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1OC1[C@H](C)CCC[C@H]1C ZINC001234476005 1130647626 /nfs/dbraw/zinc/64/76/26/1130647626.db2.gz JPOXBITYWPVTEP-NXEZZACHSA-N -1 1 278.348 3.504 20 10 CHCDMM [O-]c1c(F)cc(Cl)cc1CNc1cccc2c1OCO2 ZINC000783597937 1130842549 /nfs/dbraw/zinc/84/25/49/1130842549.db2.gz PJSNBTKBVGKMAK-UHFFFAOYSA-N -1 1 295.697 3.526 20 10 CHCDMM C[N@H+](Cc1ccccn1)Cc1cc(Cl)c(Cl)cc1O ZINC001236794289 1131010000 /nfs/dbraw/zinc/01/00/00/1131010000.db2.gz RENCOJUAXPYLSU-UHFFFAOYSA-N -1 1 297.185 3.726 20 10 CHCDMM C[C@@H]1CCN(Cc2c([O-])ccc(F)c2Cl)CC1(F)F ZINC001237119831 1131053126 /nfs/dbraw/zinc/05/31/26/1131053126.db2.gz GHFZMVUWVVACST-MRVPVSSYSA-N -1 1 293.716 3.662 20 10 CHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCc2sccc2C1 ZINC001237125254 1131054241 /nfs/dbraw/zinc/05/42/41/1131054241.db2.gz XCCUABPMANSPSU-UHFFFAOYSA-N -1 1 297.782 3.805 20 10 CHCDMM CCOc1cccc(NCc2cc(Cl)c(F)cc2[O-])n1 ZINC000816557666 1131111064 /nfs/dbraw/zinc/11/10/64/1131111064.db2.gz XNFUKSYIYXUKLI-UHFFFAOYSA-N -1 1 296.729 3.591 20 10 CHCDMM C[C@@]1(F)CCCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804844 1131141984 /nfs/dbraw/zinc/14/19/84/1131141984.db2.gz HGPOKFAOXGOPDK-CQSZACIVSA-N -1 1 289.753 3.899 20 10 CHCDMM CC[C@H](N[C@H](C)c1csnn1)c1cccc(Cl)c1[O-] ZINC000840886265 1132301626 /nfs/dbraw/zinc/30/16/26/1132301626.db2.gz UJWAUEFNCRETGK-KCJUWKMLSA-N -1 1 297.811 3.699 20 10 CHCDMM [O-]c1c(CN2CCCC(F)(F)C2)cccc1C(F)(F)F ZINC001233415625 1132618686 /nfs/dbraw/zinc/61/86/86/1132618686.db2.gz CWDDPSHWGMYPTI-UHFFFAOYSA-N -1 1 295.251 3.642 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)[C@@H](C)CC ZINC001233498862 1132628700 /nfs/dbraw/zinc/62/87/00/1132628700.db2.gz WNNUYEFVQCUBMA-QWRGUYRKSA-N -1 1 280.364 3.894 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1OC1CCCCC1 ZINC001233498838 1132629343 /nfs/dbraw/zinc/62/93/43/1132629343.db2.gz WJQHUPLODNQWIA-UHFFFAOYSA-N -1 1 278.348 3.792 20 10 CHCDMM O=C(NCc1cccc(Cl)c1[O-])C1=CCCCCC1 ZINC000890759570 1118076177 /nfs/dbraw/zinc/07/61/77/1118076177.db2.gz OJVXEGZQGPCHLO-UHFFFAOYSA-N -1 1 279.767 3.552 20 10 CHCDMM CCc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000708482772 1119491866 /nfs/dbraw/zinc/49/18/66/1119491866.db2.gz YALKLRCJRPBBEJ-UHFFFAOYSA-N -1 1 263.287 3.845 20 10 CHCDMM CC[N@@H+](Cc1ccc(F)cc1)Cc1c(O)cccc1F ZINC001137838533 1121417619 /nfs/dbraw/zinc/41/76/19/1121417619.db2.gz CBYYONGEMRKXAL-UHFFFAOYSA-N -1 1 277.314 3.693 20 10 CHCDMM CCN(Cc1ccccc1F)Cc1ccc(F)c(F)c1[O-] ZINC001179914344 1121930773 /nfs/dbraw/zinc/93/07/73/1121930773.db2.gz UTLPKIUJUDPQLF-UHFFFAOYSA-N -1 1 295.304 3.832 20 10 CHCDMM CC(C)CCC[C@@H](C)NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193236773 1122682321 /nfs/dbraw/zinc/68/23/21/1122682321.db2.gz QKTTYMZAYMFRAQ-SNVBAGLBSA-N -1 1 299.798 3.696 20 10 CHCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000775628931 1122829289 /nfs/dbraw/zinc/82/92/89/1122829289.db2.gz BSCYVFBLUWFBEW-AWEZNQCLSA-N -1 1 294.757 3.850 20 10 CHCDMM C[C@@H](Nc1cccc2c1OCC2)c1cc(F)cc(F)c1[O-] ZINC000858478416 1123656955 /nfs/dbraw/zinc/65/69/55/1123656955.db2.gz RLJLISZJNORKAN-SECBINFHSA-N -1 1 291.297 3.778 20 10 CHCDMM Cc1cc(NCc2cccc(Cl)c2[O-])nc(C2CC2)n1 ZINC000897392086 1125289013 /nfs/dbraw/zinc/28/90/13/1125289013.db2.gz MIBLONCDCQXDBP-UHFFFAOYSA-N -1 1 289.766 3.634 20 10 CHCDMM COc1ccc(NCc2c([O-])ccc(Cl)c2F)c(C)n1 ZINC000790245046 1130299903 /nfs/dbraw/zinc/29/99/03/1130299903.db2.gz GBJWFFSDQHKWNL-UHFFFAOYSA-N -1 1 296.729 3.509 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@H](C)CC[C@H]1C ZINC001234473997 1130647670 /nfs/dbraw/zinc/64/76/70/1130647670.db2.gz MODHMNUOOIYPKQ-IQMDTDKHSA-N -1 1 278.348 3.504 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1ccccc1F ZINC001234473891 1130647682 /nfs/dbraw/zinc/64/76/82/1130647682.db2.gz LSJAKWAIRQVAPV-SNVBAGLBSA-N -1 1 290.290 3.580 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCc2cccc(C)c21 ZINC001234473916 1130647733 /nfs/dbraw/zinc/64/77/33/1130647733.db2.gz MDQLBORUPIGOQU-INIZCTEOSA-N -1 1 298.338 3.675 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)CCCC(C)C ZINC001234478045 1130649082 /nfs/dbraw/zinc/64/90/82/1130649082.db2.gz WUWLOHVRKLBUFK-NSHDSACASA-N -1 1 280.364 3.894 20 10 CHCDMM Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCCC12CC2 ZINC001236794970 1131008969 /nfs/dbraw/zinc/00/89/69/1131008969.db2.gz YOBNKNYQJJRROS-UHFFFAOYSA-N -1 1 272.175 3.827 20 10 CHCDMM [O-]c1ccc(F)c(Cl)c1CN1Cc2ccccc2C1 ZINC001237122338 1131054870 /nfs/dbraw/zinc/05/48/70/1131054870.db2.gz TXWXVODAAVNGTR-UHFFFAOYSA-N -1 1 277.726 3.701 20 10 CHCDMM [O-]c1cc(F)c(Cl)cc1CNc1cccc(F)c1 ZINC000816522722 1131107266 /nfs/dbraw/zinc/10/72/66/1131107266.db2.gz LIUKJNWEYCPNDF-UHFFFAOYSA-N -1 1 269.678 3.936 20 10 CHCDMM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](C(F)(F)F)C1 ZINC001237619686 1131118390 /nfs/dbraw/zinc/11/83/90/1131118390.db2.gz BKPBDBZJHFHJQS-QMMMGPOBSA-N -1 1 297.679 3.569 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1OC(CC)CC ZINC001233496980 1132629416 /nfs/dbraw/zinc/62/94/16/1132629416.db2.gz LAKMCGWYJOFMMS-UHFFFAOYSA-N -1 1 266.337 3.648 20 10 CHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@H]2C[C@H]21 ZINC001203586190 1133342559 /nfs/dbraw/zinc/34/25/59/1133342559.db2.gz NFPBHGATLHVRSA-QPUJVOFHSA-N -1 1 272.175 3.683 20 10 CHCDMM [O-]c1cc(Nc2ccc3c(c2)OCCN3)c(F)cc1Cl ZINC001209766283 1134060051 /nfs/dbraw/zinc/06/00/51/1134060051.db2.gz MFWFEWFKGFIHSK-UHFFFAOYSA-N -1 1 294.713 3.733 20 10 CHCDMM CCCCC[C@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473035 1130648034 /nfs/dbraw/zinc/64/80/34/1130648034.db2.gz AHIMIZUWSGESCU-JTQLQIEISA-N -1 1 266.337 3.648 20 10 CHCDMM C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000287443381 1127305666 /nfs/dbraw/zinc/30/56/66/1127305666.db2.gz UPGAGURPDHJXJY-JMCQJSRRSA-N -1 1 277.261 3.523 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1cccc(-n2cccn2)c1 ZINC000158019573 1127414641 /nfs/dbraw/zinc/41/46/41/1127414641.db2.gz JJEVQFOUVFZPRB-UHFFFAOYSA-N -1 1 299.761 3.843 20 10 CHCDMM O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000158707217 1128670612 /nfs/dbraw/zinc/67/06/12/1128670612.db2.gz BZLFOTYWOFACBP-UHFFFAOYSA-N -1 1 278.695 3.566 20 10 CHCDMM O=C1[N-]C(=S)S/C1=C/c1ccccc1-c1ccccc1 ZINC000166160313 1120064341 /nfs/dbraw/zinc/06/43/41/1120064341.db2.gz AFWVHVVYCKRIJM-GXDHUFHOSA-N -1 1 297.404 3.842 20 10 CHCDMM C[C@H](Nc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1[O-] ZINC000756833466 1120923598 /nfs/dbraw/zinc/92/35/98/1120923598.db2.gz ZUQUZMLTFWPSIC-VIFPVBQESA-N -1 1 291.297 3.778 20 10 CHCDMM COc1ccc(F)c(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC001178421207 1121787657 /nfs/dbraw/zinc/78/76/57/1121787657.db2.gz FARGRTGVLNAMHM-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM CN(Cc1cccc(Cl)c1[O-])Cc1ccc(F)cc1F ZINC000775648992 1122861810 /nfs/dbraw/zinc/86/18/10/1122861810.db2.gz ZJJTUWGXLHOPKR-UHFFFAOYSA-N -1 1 297.732 3.956 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1ccc(-n2ccnc2)cc1 ZINC000775745735 1122935160 /nfs/dbraw/zinc/93/51/60/1122935160.db2.gz DGGPIRLGGMYDKV-UHFFFAOYSA-N -1 1 299.761 3.843 20 10 CHCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc2c(c1)COC2 ZINC000776251870 1123179869 /nfs/dbraw/zinc/17/98/69/1123179869.db2.gz GJVKNCJNKAYGOI-UHFFFAOYSA-N -1 1 293.725 3.827 20 10 CHCDMM CC[C@H](Nc1cnn(CCF)c1)c1cccc(Cl)c1[O-] ZINC000858492335 1123657555 /nfs/dbraw/zinc/65/75/55/1123657555.db2.gz WBNYRGMYTNUCHM-ZDUSSCGKSA-N -1 1 297.761 3.775 20 10 CHCDMM CN(Cc1cccc(Br)c1[O-])c1ccccc1 ZINC000131894208 1125411539 /nfs/dbraw/zinc/41/15/39/1125411539.db2.gz OHKKMPHWSSMUFA-UHFFFAOYSA-N -1 1 292.176 3.791 20 10 CHCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(F)cc1 ZINC000790951935 1130340468 /nfs/dbraw/zinc/34/04/68/1130340468.db2.gz UDBGPOSQMKWSPA-UHFFFAOYSA-N -1 1 269.678 3.936 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CC[C@H](C(C)C)CC1 ZINC001234474949 1130647659 /nfs/dbraw/zinc/64/76/59/1130647659.db2.gz ANJBMVOJIMYOQB-JOCQHMNTSA-N -1 1 292.375 3.894 20 10 CHCDMM CC[C@@H]1CCCC[C@H]1Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474609 1130647933 /nfs/dbraw/zinc/64/79/33/1130647933.db2.gz UTBRTBNMXBQHPF-IAQYHMDHSA-N -1 1 278.348 3.648 20 10 CHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCc2occc2C1 ZINC001236795258 1131008951 /nfs/dbraw/zinc/00/89/51/1131008951.db2.gz BGOPIXFHHNGLBB-UHFFFAOYSA-N -1 1 298.169 3.850 20 10 CHCDMM C[C@@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@H]1F ZINC001236792646 1131009102 /nfs/dbraw/zinc/00/91/02/1131009102.db2.gz GJQWMCYYXFAYDB-PRHODGIISA-N -1 1 292.181 3.879 20 10 CHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCn2cccc2C1 ZINC001237083085 1131048027 /nfs/dbraw/zinc/04/80/27/1131048027.db2.gz YQRKXDKGDJJDSK-UHFFFAOYSA-N -1 1 297.185 3.516 20 10 CHCDMM CCN(Cc1cccc(F)c1F)Cc1c([O-])cccc1F ZINC001137840030 1131421469 /nfs/dbraw/zinc/42/14/69/1131421469.db2.gz PRXCPAMOSWJNMC-UHFFFAOYSA-N -1 1 295.304 3.832 20 10 CHCDMM CN(Cc1ccc(Cl)cc1)Cc1c([O-])cc(F)cc1F ZINC001140583798 1131806762 /nfs/dbraw/zinc/80/67/62/1131806762.db2.gz SQUIFGPAKCGIMQ-UHFFFAOYSA-N -1 1 297.732 3.956 20 10 CHCDMM CN(Cc1ccc(F)cc1F)Cc1ccc(F)c(F)c1[O-] ZINC001233079212 1132570494 /nfs/dbraw/zinc/57/04/94/1132570494.db2.gz ZOYNUVLTKCNYHE-UHFFFAOYSA-N -1 1 299.267 3.581 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CC[C@@H](C)C1 ZINC001233497543 1132629361 /nfs/dbraw/zinc/62/93/61/1132629361.db2.gz ONDOXNWJTHWPBY-GHMZBOCLSA-N -1 1 278.348 3.648 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](CC)C(C)C ZINC001233496050 1132629433 /nfs/dbraw/zinc/62/94/33/1132629433.db2.gz PKTUVNVOZSLARB-HNNXBMFYSA-N -1 1 280.364 3.894 20 10 CHCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc2cn[nH]c2c1 ZINC001203478641 1133332311 /nfs/dbraw/zinc/33/23/11/1133332311.db2.gz GQCRASIJQQUCKH-UHFFFAOYSA-N -1 1 291.713 3.673 20 10 CHCDMM COc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185714693 262067984 /nfs/dbraw/zinc/06/79/84/262067984.db2.gz JXRJCMALENCVGX-GFCCVEGCSA-N -1 1 289.350 3.699 20 10 CHCDMM CSc1cccnc1NCc1cccc(Cl)c1[O-] ZINC001206537972 1133715727 /nfs/dbraw/zinc/71/57/27/1133715727.db2.gz PZQZDXMMCPTAGF-UHFFFAOYSA-N -1 1 280.780 3.775 20 10 CHCDMM CCC(CC)(CC)SCC(=O)c1ccc([O-])c(O)c1 ZINC000762971786 1128338177 /nfs/dbraw/zinc/33/81/77/1128338177.db2.gz UDKSBNDHLDGAPV-UHFFFAOYSA-N -1 1 282.405 3.983 20 10 CHCDMM CC1=C(C)C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890760922 1118077779 /nfs/dbraw/zinc/07/77/79/1118077779.db2.gz DXDWLMGRAMCDHF-LBPRGKRZSA-N -1 1 293.794 3.798 20 10 CHCDMM C=Cc1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193232715 1122681818 /nfs/dbraw/zinc/68/18/18/1122681818.db2.gz NUCCRRNDMNNEND-UHFFFAOYSA-N -1 1 289.718 3.647 20 10 CHCDMM C[C@H](Nc1cccc2c1OCC2)c1cc(F)cc(F)c1[O-] ZINC000858478419 1123656894 /nfs/dbraw/zinc/65/68/94/1123656894.db2.gz RLJLISZJNORKAN-VIFPVBQESA-N -1 1 291.297 3.778 20 10 CHCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc2cn[nH]c2c1 ZINC000864043553 1123912307 /nfs/dbraw/zinc/91/23/07/1123912307.db2.gz QTXJMQIKCYLBBF-UHFFFAOYSA-N -1 1 291.713 3.673 20 10 CHCDMM CC[C@H](C)n1ncc(NCc2cc(F)cc(F)c2[O-])c1C ZINC000883102356 1125372267 /nfs/dbraw/zinc/37/22/67/1125372267.db2.gz NPMZATGSTNXNCD-VIFPVBQESA-N -1 1 295.333 3.758 20 10 CHCDMM C[C@@H](NCc1nc(C(C)(C)C)co1)c1c([O-])cccc1F ZINC000903313221 1130151580 /nfs/dbraw/zinc/15/15/80/1130151580.db2.gz KZNMUDCWVHLKCB-SNVBAGLBSA-N -1 1 292.354 3.668 20 10 CHCDMM COc1ncc(C)cc1NCc1c([O-])ccc(Cl)c1F ZINC000790244982 1130299928 /nfs/dbraw/zinc/29/99/28/1130299928.db2.gz CIJUQOLXZZNBJC-UHFFFAOYSA-N -1 1 296.729 3.509 20 10 CHCDMM COc1cc(NCc2c([O-])ccc(Cl)c2F)ccc1F ZINC000790992991 1130341352 /nfs/dbraw/zinc/34/13/52/1130341352.db2.gz SBINVOJHWCGSSE-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM COc1ccc(F)cc1NCc1c([O-])ccc(Cl)c1F ZINC000790982652 1130346272 /nfs/dbraw/zinc/34/62/72/1130346272.db2.gz WJQKGMQRTLDUOR-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM CC[C@H]1CCCC[C@@H]1Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474610 1130647368 /nfs/dbraw/zinc/64/73/68/1130647368.db2.gz UTBRTBNMXBQHPF-NHYWBVRUSA-N -1 1 278.348 3.648 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1cccc(F)c1 ZINC001234474268 1130647379 /nfs/dbraw/zinc/64/73/79/1130647379.db2.gz QIMDYJNKHPDETF-JTQLQIEISA-N -1 1 290.290 3.580 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001234473971 1130647930 /nfs/dbraw/zinc/64/79/30/1130647930.db2.gz MGDCWSDAEUOYPC-PWSUYJOCSA-N -1 1 292.375 3.894 20 10 CHCDMM COc1ccc(N(C)Cc2cccc(Cl)c2[O-])cc1F ZINC000780779774 1130691388 /nfs/dbraw/zinc/69/13/88/1130691388.db2.gz XOLJETORWREWPF-UHFFFAOYSA-N -1 1 295.741 3.830 20 10 CHCDMM COc1cc(N[C@@H](C)c2cc(F)cc(F)c2[O-])ccc1F ZINC000783306707 1130814084 /nfs/dbraw/zinc/81/40/84/1130814084.db2.gz LFSFCEMKBLXYOH-QMMMGPOBSA-N -1 1 297.276 3.991 20 10 CHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1Cc2cccnc2C1 ZINC001237078171 1131046886 /nfs/dbraw/zinc/04/68/86/1131046886.db2.gz OWROGEWHNSSKDW-UHFFFAOYSA-N -1 1 295.169 3.610 20 10 CHCDMM CCc1nc(CN[C@@H](CC)c2cccc(Cl)c2[O-])co1 ZINC000834899392 1131724012 /nfs/dbraw/zinc/72/40/12/1131724012.db2.gz POHYBSJCVRHNDO-ZDUSSCGKSA-N -1 1 294.782 3.837 20 10 CHCDMM C[C@@H]1Cc2ccccc2CN1Cc1c([O-])cc(F)cc1F ZINC001140584537 1131810845 /nfs/dbraw/zinc/81/08/45/1131810845.db2.gz WCGVDMXGMYWWTR-LLVKDONJSA-N -1 1 289.325 3.617 20 10 CHCDMM [O-]c1ccc(F)c(F)c1CN1Cc2ccc(Cl)cc2C1 ZINC001233336032 1132603149 /nfs/dbraw/zinc/60/31/49/1132603149.db2.gz WDBXZNFHTHDKJR-UHFFFAOYSA-N -1 1 295.716 3.840 20 10 CHCDMM CN(Cc1cc(Cl)cc(F)c1[O-])c1cccc(O)c1 ZINC001206664456 1133731391 /nfs/dbraw/zinc/73/13/91/1133731391.db2.gz SDJHNTLESNASCT-UHFFFAOYSA-N -1 1 281.714 3.527 20 10 CHCDMM [O-]c1cc(F)c(F)cc1CN[C@H](c1ccccc1)C(F)F ZINC001207873149 1133856922 /nfs/dbraw/zinc/85/69/22/1133856922.db2.gz LWZCPJLDOPWMEX-CQSZACIVSA-N -1 1 299.267 3.766 20 10 CHCDMM CN(Cc1ccco1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000162160769 1119499327 /nfs/dbraw/zinc/49/93/27/1119499327.db2.gz OIIGGHLZOUZUBS-UHFFFAOYSA-N -1 1 286.158 3.924 20 10 CHCDMM CCc1ccncc1NCc1cc(Cl)c(F)cc1[O-] ZINC001182734038 1122186361 /nfs/dbraw/zinc/18/63/61/1122186361.db2.gz LLXYLCALXPSBHM-UHFFFAOYSA-N -1 1 280.730 3.754 20 10 CHCDMM C/C=C(/C=C/C(=O)NCc1cccc(Cl)c1[O-])CC ZINC000890760086 1118076919 /nfs/dbraw/zinc/07/69/19/1118076919.db2.gz HIPJRRAZTANQRT-NGOBVPNHSA-N -1 1 279.767 3.574 20 10 CHCDMM CC1=C(C)C[C@H](C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890760921 1118078076 /nfs/dbraw/zinc/07/80/76/1118078076.db2.gz DXDWLMGRAMCDHF-GFCCVEGCSA-N -1 1 293.794 3.798 20 10 CHCDMM [O-]c1cc(F)cc(F)c1CN1CC[C@@H]1c1ccccc1 ZINC001140583402 1119151804 /nfs/dbraw/zinc/15/18/04/1119151804.db2.gz FFTWVXNLMWOGGW-OAHLLOKOSA-N -1 1 275.298 3.617 20 10 CHCDMM [O-]c1cc(F)c(F)cc1CN1CC[C@@H]1c1cccc(F)c1 ZINC001179855232 1121917442 /nfs/dbraw/zinc/91/74/42/1121917442.db2.gz OXKYALCJAWHVHK-OAHLLOKOSA-N -1 1 293.288 3.757 20 10 CHCDMM [O-]c1ccc(Cl)c(F)c1CNc1cnc2[nH]ccc2c1 ZINC001203676441 1122455765 /nfs/dbraw/zinc/45/57/65/1122455765.db2.gz MRTQUGZJNASORW-UHFFFAOYSA-N -1 1 291.713 3.625 20 10 CHCDMM COCc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775181863 1122469626 /nfs/dbraw/zinc/46/96/26/1122469626.db2.gz WZPNPVFRSKCBEG-UHFFFAOYSA-N -1 1 295.741 3.943 20 10 CHCDMM COc1ccc(NCc2cc(Cl)c(F)cc2[O-])c(F)c1 ZINC000864042311 1123912511 /nfs/dbraw/zinc/91/25/11/1123912511.db2.gz FEFGKVNAIAKSJT-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM COc1ccc(F)c(NCc2cccc(Cl)c2[O-])c1 ZINC000124627001 1124800433 /nfs/dbraw/zinc/80/04/33/1124800433.db2.gz QSFAEJDWIVOOES-UHFFFAOYSA-N -1 1 281.714 3.805 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1ccc2c(c1)CCO2 ZINC000124827647 1124819343 /nfs/dbraw/zinc/81/93/43/1124819343.db2.gz WAMOGQOFBGABSY-UHFFFAOYSA-N -1 1 275.735 3.593 20 10 CHCDMM CC(C)[C@H](N[C@@H](C)c1ccc(F)cc1[O-])C(F)(F)F ZINC000786982035 1130125092 /nfs/dbraw/zinc/12/50/92/1130125092.db2.gz KQTIMOOXIDUDAC-UFBFGSQYSA-N -1 1 279.277 3.769 20 10 CHCDMM CSc1ccc(NCc2c([O-])ccc(Cl)c2F)cn1 ZINC000790240266 1130300655 /nfs/dbraw/zinc/30/06/55/1130300655.db2.gz BXYJWOFGAKQBFW-UHFFFAOYSA-N -1 1 298.770 3.914 20 10 CHCDMM [O-]c1ccc(Cl)c(F)c1CNc1cccc2c1OCO2 ZINC000790990879 1130341037 /nfs/dbraw/zinc/34/10/37/1130341037.db2.gz QTYLQGACCRRXLX-UHFFFAOYSA-N -1 1 295.697 3.526 20 10 CHCDMM COc1cccc(NCc2c([O-])ccc(Cl)c2F)c1F ZINC000790992289 1130341121 /nfs/dbraw/zinc/34/11/21/1130341121.db2.gz WPNGBANEDZHQHN-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM CCC[C@H](C)[C@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234475017 1130647540 /nfs/dbraw/zinc/64/75/40/1130647540.db2.gz BVBYXKVSPFFWJL-BONVTDFDSA-N -1 1 280.364 3.894 20 10 CHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCCC(F)(F)C1 ZINC001236792637 1131008163 /nfs/dbraw/zinc/00/81/63/1131008163.db2.gz GGLCZXYVPCEREB-UHFFFAOYSA-N -1 1 296.144 3.930 20 10 CHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H](F)C[C@H]1CF ZINC001237077749 1131047378 /nfs/dbraw/zinc/04/73/78/1131047378.db2.gz KDRFBBUPPJREAE-YUMQZZPRSA-N -1 1 296.144 3.581 20 10 CHCDMM [O-]c1c(Cl)cccc1CN1CCCNc2ccccc21 ZINC000841089381 1132326850 /nfs/dbraw/zinc/32/68/50/1132326850.db2.gz MEEMNIWQCQXTHY-UHFFFAOYSA-N -1 1 288.778 3.868 20 10 CHCDMM Cc1cc(O)c(C[N@@H+]2CCc3occc3C2)cc1Cl ZINC001231870187 1132384345 /nfs/dbraw/zinc/38/43/45/1132384345.db2.gz MWYCEDXHBXIHRI-UHFFFAOYSA-N -1 1 277.751 3.505 20 10 CHCDMM Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)cc1Cl ZINC001231868667 1132385067 /nfs/dbraw/zinc/38/50/67/1132385067.db2.gz VZFCSVJBRITMFE-UONOGXRCSA-N -1 1 289.753 3.626 20 10 CHCDMM CSc1cccnc1NCc1cc(Cl)c(F)cc1[O-] ZINC001206530521 1133713936 /nfs/dbraw/zinc/71/39/36/1133713936.db2.gz UCXMXSMFSHAWMV-UHFFFAOYSA-N -1 1 298.770 3.914 20 10 CHCDMM CC(C)=CCC[C@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234477362 1130648947 /nfs/dbraw/zinc/64/89/47/1130648947.db2.gz SBOJCPBWMUZFAQ-NSHDSACASA-N -1 1 278.348 3.814 20 10 CHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCC(F)(F)C1 ZINC001236793579 1131009245 /nfs/dbraw/zinc/00/92/45/1131009245.db2.gz LGZJCPVHEJBKTD-UHFFFAOYSA-N -1 1 282.117 3.540 20 10 CHCDMM C[C@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000287443385 1127305693 /nfs/dbraw/zinc/30/56/93/1127305693.db2.gz UPGAGURPDHJXJY-JVXZTZIISA-N -1 1 277.261 3.523 20 10 CHCDMM CC[C@H](Nc1c(C)nn(C)c1C)c1cccc(Cl)c1[O-] ZINC000287810944 1127313230 /nfs/dbraw/zinc/31/32/30/1127313230.db2.gz URIAIHKWSHFVKY-ZDUSSCGKSA-N -1 1 293.798 3.959 20 10 CHCDMM O=C1[N-]C(=S)S/C1=C\c1c(Cl)oc2ccccc12 ZINC000761181882 1127506676 /nfs/dbraw/zinc/50/66/76/1127506676.db2.gz SNMKJVYBKOKAGX-UITAMQMPSA-N -1 1 295.772 3.575 20 10 CHCDMM O=C1[N-]C(=S)S/C1=C\c1ccccc1-c1ccccc1 ZINC000040860372 1128530889 /nfs/dbraw/zinc/53/08/89/1128530889.db2.gz AFWVHVVYCKRIJM-UVTDQMKNSA-N -1 1 297.404 3.842 20 10 CHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCc2occc2C1 ZINC001237084825 1128973086 /nfs/dbraw/zinc/97/30/86/1128973086.db2.gz OALVORZSZYYEGI-UHFFFAOYSA-N -1 1 298.169 3.850 20 10 CHCDMM C[Si](C)(C)CCCC(=O)NCc1cccc(Cl)c1[O-] ZINC001180410336 1121986853 /nfs/dbraw/zinc/98/68/53/1121986853.db2.gz NREHJVHTFUOBLV-UHFFFAOYSA-N -1 1 299.874 3.780 20 10 CHCDMM [O-]c1c(Cl)cccc1CN1CCCc2ccccc21 ZINC000160195260 1122944670 /nfs/dbraw/zinc/94/46/70/1122944670.db2.gz YFCXTRTZRLIENT-UHFFFAOYSA-N -1 1 273.763 3.998 20 10 CHCDMM CC(C)Cn1cc(NCc2c([O-])ccc(Cl)c2F)cn1 ZINC000790980076 1130344680 /nfs/dbraw/zinc/34/46/80/1130344680.db2.gz HFGPMRSGPKHJHQ-UHFFFAOYSA-N -1 1 297.761 3.649 20 10 CHCDMM CSc1ccncc1NCc1c([O-])ccc(Cl)c1F ZINC000790982260 1130346721 /nfs/dbraw/zinc/34/67/21/1130346721.db2.gz FLZYIUPAIGQUIZ-UHFFFAOYSA-N -1 1 298.770 3.914 20 10 CHCDMM [O-]c1c(F)cc(Cl)cc1CNc1cccc2c1CCO2 ZINC000793324529 1130542737 /nfs/dbraw/zinc/54/27/37/1130542737.db2.gz DJDGNZNNYMCCAT-UHFFFAOYSA-N -1 1 293.725 3.732 20 10 CHCDMM CCC1CCC(Oc2cc([O-])c(O)cc2C(C)=O)CC1 ZINC001234475735 1130647510 /nfs/dbraw/zinc/64/75/10/1130647510.db2.gz IXPJPIFSGGDFDA-UHFFFAOYSA-N -1 1 278.348 3.648 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCC=CCCC1 ZINC001234473605 1130647535 /nfs/dbraw/zinc/64/75/35/1130647535.db2.gz ISVQDPDVTMIABH-GFCCVEGCSA-N -1 1 276.332 3.568 20 10 CHCDMM CCC[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)[C@@H](C)CC ZINC001234474003 1130647938 /nfs/dbraw/zinc/64/79/38/1130647938.db2.gz MQGKSENVBBDCNX-ZUZCIYMTSA-N -1 1 280.364 3.894 20 10 CHCDMM COCc1ccccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816525393 1131108924 /nfs/dbraw/zinc/10/89/24/1131108924.db2.gz RIWMHHZWATXQAV-UHFFFAOYSA-N -1 1 295.741 3.943 20 10 CHCDMM C[C@@H](Nc1ccc2c(c1)CCN2)c1cc(F)cc(F)c1[O-] ZINC000817948704 1131188897 /nfs/dbraw/zinc/18/88/97/1131188897.db2.gz CMBKJIFJRMJEHY-SECBINFHSA-N -1 1 290.313 3.812 20 10 CHCDMM [O-]c1cccc(Cl)c1CN1CCC[C@H]1C(F)(F)F ZINC001140338005 1131702801 /nfs/dbraw/zinc/70/28/01/1131702801.db2.gz QMIKFMXBRJVORC-NSHDSACASA-N -1 1 279.689 3.572 20 10 CHCDMM C[C@]1(CF)CC(F)(F)CN1Cc1ccc(Cl)cc1[O-] ZINC001140462530 1131748795 /nfs/dbraw/zinc/74/87/95/1131748795.db2.gz IGXWMOKBJHDENO-GFCCVEGCSA-N -1 1 293.716 3.615 20 10 CHCDMM [O-]c1cc(Cl)ccc1CN1CCCC[C@@H]1C(F)(F)F ZINC001140466211 1131752310 /nfs/dbraw/zinc/75/23/10/1131752310.db2.gz BGGMYVHSBHUAAL-GFCCVEGCSA-N -1 1 293.716 3.962 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1ccco1 ZINC001233495813 1132629331 /nfs/dbraw/zinc/62/93/31/1132629331.db2.gz LZVURPIAMUAJJH-SNVBAGLBSA-N -1 1 290.315 3.814 20 10 CHCDMM Cc1ccc([N+](=O)[O-])c(NCc2cccc(Cl)c2[O-])c1 ZINC000165053074 1133818519 /nfs/dbraw/zinc/81/85/19/1133818519.db2.gz XMXKJVVMHHXZOM-UHFFFAOYSA-N -1 1 292.722 3.874 20 10 CHCDMM [O-]c1cc(Cl)c(F)cc1CN1Cc2cccc(F)c2C1 ZINC001237935182 1131153920 /nfs/dbraw/zinc/15/39/20/1131153920.db2.gz AVVJLJSJQAPDFH-UHFFFAOYSA-N -1 1 295.716 3.840 20 10 CHCDMM O=C(CC1=CCCCC1)NCc1cccc(Cl)c1[O-] ZINC000890760821 1118076443 /nfs/dbraw/zinc/07/64/43/1118076443.db2.gz ZWHBYIKZFHPWIS-UHFFFAOYSA-N -1 1 279.767 3.552 20 10 CHCDMM CCCCC1(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890763476 1118080748 /nfs/dbraw/zinc/08/07/48/1118080748.db2.gz WWDLAWTWIBEYSU-UHFFFAOYSA-N -1 1 281.783 3.632 20 10 CHCDMM [O-]c1c(F)cc(Cl)cc1CN1CCOc2ccccc21 ZINC000765633415 1118185532 /nfs/dbraw/zinc/18/55/32/1118185532.db2.gz BNYMOAREHOMHDT-UHFFFAOYSA-N -1 1 293.725 3.584 20 10 CHCDMM CC[C@H]1CC[C@H](C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC001180409617 1121987665 /nfs/dbraw/zinc/98/76/65/1121987665.db2.gz FJTMASDGLAVHTO-HAQNSBGRSA-N -1 1 295.810 3.878 20 10 CHCDMM CC[C@H](CC(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC001180410939 1121988089 /nfs/dbraw/zinc/98/80/89/1121988089.db2.gz VSAXOPWBNVFJIZ-LLVKDONJSA-N -1 1 283.799 3.734 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1nc2c(cccc2F)o1 ZINC001187861132 1122445576 /nfs/dbraw/zinc/44/55/76/1122445576.db2.gz HRVYHGMKZHWDFB-UHFFFAOYSA-N -1 1 292.697 3.938 20 10 CHCDMM COc1ccc(NCc2cc(Cl)cc(F)c2[O-])c(F)c1 ZINC000864042470 1123912938 /nfs/dbraw/zinc/91/29/38/1123912938.db2.gz NLBWXARNZLFKEO-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001234473968 1130647315 /nfs/dbraw/zinc/64/73/15/1130647315.db2.gz MGDCWSDAEUOYPC-JQWIXIFHSA-N -1 1 292.375 3.894 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC001234473990 1130647400 /nfs/dbraw/zinc/64/74/00/1130647400.db2.gz MODHMNUOOIYPKQ-AMJWSMQMSA-N -1 1 278.348 3.504 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1OC1CCC(C)(C)CC1 ZINC001234473876 1130647675 /nfs/dbraw/zinc/64/76/75/1130647675.db2.gz LFZCMPBDLDKNAA-UHFFFAOYSA-N -1 1 278.348 3.648 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1cccs1 ZINC001234473368 1130647878 /nfs/dbraw/zinc/64/78/78/1130647878.db2.gz FNLNBXWHKLBRCX-VIFPVBQESA-N -1 1 278.329 3.502 20 10 CHCDMM COc1cc(NCc2cc(Cl)cc(F)c2[O-])ccc1F ZINC000783709951 1130851582 /nfs/dbraw/zinc/85/15/82/1130851582.db2.gz FEFJQJHTJMSKMH-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM CC[C@H](NCC(C)(F)F)c1cccc(Cl)c1[O-] ZINC000815645084 1131014696 /nfs/dbraw/zinc/01/46/96/1131014696.db2.gz UVYUFTAQUIHYOZ-JTQLQIEISA-N -1 1 263.715 3.742 20 10 CHCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc2c(c1)COC2 ZINC000816559008 1131111244 /nfs/dbraw/zinc/11/12/44/1131111244.db2.gz UPKZTWCIJJPKIN-UHFFFAOYSA-N -1 1 293.725 3.827 20 10 CHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCc2sccc2C1 ZINC001237935806 1131153404 /nfs/dbraw/zinc/15/34/04/1131153404.db2.gz ZBLOQRNNILYJJW-UHFFFAOYSA-N -1 1 297.782 3.805 20 10 CHCDMM [O-]c1c(F)ccc(F)c1CN1CC[C@H]1c1ccccc1 ZINC001139685207 1131628476 /nfs/dbraw/zinc/62/84/76/1131628476.db2.gz AWXCJACDSYLETG-HNNXBMFYSA-N -1 1 275.298 3.617 20 10 CHCDMM CCN(Cc1cccc(F)c1)Cc1c(F)ccc(F)c1[O-] ZINC001139686383 1131629256 /nfs/dbraw/zinc/62/92/56/1131629256.db2.gz XBYVZIDBLCDWKV-UHFFFAOYSA-N -1 1 295.304 3.832 20 10 CHCDMM C[C@@]1(CF)CC(F)(F)CN1Cc1c([O-])cccc1Cl ZINC001140337884 1131702973 /nfs/dbraw/zinc/70/29/73/1131702973.db2.gz LHNVCZRCUHPANX-LBPRGKRZSA-N -1 1 293.716 3.615 20 10 CHCDMM CCC1CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000835074956 1131768442 /nfs/dbraw/zinc/76/84/42/1131768442.db2.gz NGOKWRXGJLAPJX-UHFFFAOYSA-N -1 1 260.164 3.541 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)CC(C)C ZINC001233496734 1132629469 /nfs/dbraw/zinc/62/94/69/1132629469.db2.gz HLRXWJBJKJCNRA-NSHDSACASA-N -1 1 280.364 3.894 20 10 CHCDMM CC(C)c1nn(C)cc1NCc1cccc(Cl)c1[O-] ZINC000280441325 519883272 /nfs/dbraw/zinc/88/32/72/519883272.db2.gz COUABHSCGXZPGP-UHFFFAOYSA-N -1 1 279.771 3.515 20 10 CHCDMM C[C@]1(F)CCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122855 1131055172 /nfs/dbraw/zinc/05/51/72/1131055172.db2.gz ZSIMGQNZLORADG-ZDUSSCGKSA-N -1 1 275.726 3.509 20 10 CHCDMM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001237619684 1131119888 /nfs/dbraw/zinc/11/98/88/1131119888.db2.gz BKPBDBZJHFHJQS-MRVPVSSYSA-N -1 1 297.679 3.569 20 10 CHCDMM COc1ccc(NCc2cccc(Cl)c2[O-])cc1OC ZINC000158040748 1127416163 /nfs/dbraw/zinc/41/61/63/1127416163.db2.gz XNPIJLPCSSVJEB-UHFFFAOYSA-N -1 1 293.750 3.675 20 10 CHCDMM O=C(NCc1cccc(Cl)c1[O-])C1CCC2(CC2)CC1 ZINC000890761018 1118077316 /nfs/dbraw/zinc/07/73/16/1118077316.db2.gz ILUBHGHJWJXQAG-UHFFFAOYSA-N -1 1 293.794 3.632 20 10 CHCDMM COc1cc(C)c(NCc2cc(F)cc(F)c2[O-])cc1F ZINC001178514168 1121792316 /nfs/dbraw/zinc/79/23/16/1121792316.db2.gz SYVKHEZEODRGOY-UHFFFAOYSA-N -1 1 297.276 3.739 20 10 CHCDMM Cc1ccccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001197457405 1122958140 /nfs/dbraw/zinc/95/81/40/1122958140.db2.gz DBSDKUKLJHXELO-UHFFFAOYSA-N -1 1 290.750 3.676 20 10 CHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC(CC(F)F)C1 ZINC000822520532 1131384938 /nfs/dbraw/zinc/38/49/38/1131384938.db2.gz FFQQTQWHWWRVJR-UHFFFAOYSA-N -1 1 296.144 3.786 20 10 CHCDMM CC1(CC(F)(F)F)CN(Cc2cccc(Cl)c2[O-])C1 ZINC000839144387 1129745843 /nfs/dbraw/zinc/74/58/43/1129745843.db2.gz HUVFJZPZCXSPGG-UHFFFAOYSA-N -1 1 293.716 3.820 20 10 CHCDMM CCOc1ncccc1NCc1c([O-])ccc(Cl)c1F ZINC000790246706 1130300084 /nfs/dbraw/zinc/30/00/84/1130300084.db2.gz YORFAYVXGMHULA-UHFFFAOYSA-N -1 1 296.729 3.591 20 10 CHCDMM COc1cc(F)ccc1NCc1c([O-])ccc(Cl)c1F ZINC000790952049 1130340538 /nfs/dbraw/zinc/34/05/38/1130340538.db2.gz WVHOFNVXXHETBL-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM C[C@H]1C[C@H](C)N1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000793220972 1130530365 /nfs/dbraw/zinc/53/03/65/1130530365.db2.gz SNERWPSHSZURCB-YUMQZZPRSA-N -1 1 260.164 3.682 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCC(C)(C)C1 ZINC001234474954 1130647870 /nfs/dbraw/zinc/64/78/70/1130647870.db2.gz ARZLHLYPBHWFAD-LLVKDONJSA-N -1 1 278.348 3.648 20 10 CHCDMM CCC[C@H](Oc1cc([O-])c(O)cc1C(C)=O)C(C)(C)C ZINC001234473892 1130647972 /nfs/dbraw/zinc/64/79/72/1130647972.db2.gz LSVDJTMRHGOQCT-HNNXBMFYSA-N -1 1 280.364 3.894 20 10 CHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCC[C@@H]1CF ZINC001236803583 1131010823 /nfs/dbraw/zinc/01/08/23/1131010823.db2.gz MYZOSJVGLKLPHF-SECBINFHSA-N -1 1 278.154 3.633 20 10 CHCDMM COc1ccc(F)c(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816524025 1131107005 /nfs/dbraw/zinc/10/70/05/1131107005.db2.gz NHOOTXSUFNUCFP-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM CN(C)c1ccccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816524183 1131108307 /nfs/dbraw/zinc/10/83/07/1131108307.db2.gz VNMAYDCUVXNBOV-UHFFFAOYSA-N -1 1 294.757 3.863 20 10 CHCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccccc1F ZINC000816524242 1131108836 /nfs/dbraw/zinc/10/88/36/1131108836.db2.gz XTBJYWYQSYDQGN-UHFFFAOYSA-N -1 1 269.678 3.936 20 10 CHCDMM C[C@@H]1[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000816648787 1131121262 /nfs/dbraw/zinc/12/12/62/1131121262.db2.gz PHJFQKFNVVXCCE-JGVFFNPUSA-N -1 1 260.164 3.539 20 10 CHCDMM CN(C/C=C/c1ccccc1)Cc1c([O-])c(F)ccc1F ZINC001139686021 1131629337 /nfs/dbraw/zinc/62/93/37/1131629337.db2.gz JYOSILZFURLISC-VMPITWQZSA-N -1 1 289.325 3.816 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)[C@H](C)CC ZINC001233498858 1132628484 /nfs/dbraw/zinc/62/84/84/1132628484.db2.gz WNNUYEFVQCUBMA-GHMZBOCLSA-N -1 1 280.364 3.894 20 10 CHCDMM Cc1ccc(F)c(CN(C)Cc2ccc(F)c(F)c2[O-])c1 ZINC001205554646 1133586874 /nfs/dbraw/zinc/58/68/74/1133586874.db2.gz IYMWNOWGHWFQPW-UHFFFAOYSA-N -1 1 295.304 3.750 20 10 CHCDMM CC[C@H](N[C@@H](C)c1csnn1)c1cccc(Cl)c1[O-] ZINC000840886266 1132302441 /nfs/dbraw/zinc/30/24/41/1132302441.db2.gz UJWAUEFNCRETGK-KWQFWETISA-N -1 1 297.811 3.699 20 10 CHCDMM CC(C)n1cc(NCc2c([O-])ccc(Cl)c2F)cn1 ZINC000790955141 1130340381 /nfs/dbraw/zinc/34/03/81/1130340381.db2.gz KDNFOTGQOPLESI-UHFFFAOYSA-N -1 1 283.734 3.574 20 10 CHCDMM [O-]c1cc(Cl)c(F)cc1CN1Cc2ccc(F)cc2C1 ZINC001237935299 1131153936 /nfs/dbraw/zinc/15/39/36/1131153936.db2.gz CCNFTWOROOBFFU-UHFFFAOYSA-N -1 1 295.716 3.840 20 10 CHCDMM CC[C@H](N[C@@H](C)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000287201022 1127296662 /nfs/dbraw/zinc/29/66/62/1127296662.db2.gz DSVVATJGYLSLAZ-XVKPBYJWSA-N -1 1 265.250 3.523 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1cccc(-n2ccnc2)c1 ZINC000158017121 1127414681 /nfs/dbraw/zinc/41/46/81/1127414681.db2.gz WKOPMTUPYZWCAT-UHFFFAOYSA-N -1 1 299.761 3.843 20 10 CHCDMM CC(C)Oc1ncccc1NCc1cccc(Cl)c1[O-] ZINC000158140039 1127451778 /nfs/dbraw/zinc/45/17/78/1127451778.db2.gz HZBJAXCQEYJJML-UHFFFAOYSA-N -1 1 292.766 3.840 20 10 CHCDMM CC[C@@H](C)C[C@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473146 1128194147 /nfs/dbraw/zinc/19/41/47/1128194147.db2.gz CKYOZNGUOAXCLP-PWSUYJOCSA-N -1 1 280.364 3.894 20 10 CHCDMM CC1=CC[C@@](C)(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890760878 1118077712 /nfs/dbraw/zinc/07/77/12/1118077712.db2.gz CNZPDPAFDSUKAW-MRXNPFEDSA-N -1 1 293.794 3.798 20 10 CHCDMM C[C@H]1CSCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179663767 1128754452 /nfs/dbraw/zinc/75/44/52/1128754452.db2.gz MVMQSBLATFQPPP-QMMMGPOBSA-N -1 1 292.231 3.636 20 10 CHCDMM COc1ncc(C)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC001178263628 1121779683 /nfs/dbraw/zinc/77/96/83/1121779683.db2.gz MMBOYDRDTCWCQF-UHFFFAOYSA-N -1 1 296.729 3.509 20 10 CHCDMM Cc1cccc2c1N(Cc1cccc(Cl)c1[O-])CC2 ZINC001180757716 1122012513 /nfs/dbraw/zinc/01/25/13/1122012513.db2.gz AIGDDEBRMNAYRF-UHFFFAOYSA-N -1 1 273.763 3.917 20 10 CHCDMM CN(c1ccc(N)cc1)c1cc(Cl)c([O-])cc1F ZINC001250027412 1122094488 /nfs/dbraw/zinc/09/44/88/1122094488.db2.gz XVWKAIFVBZYIBI-UHFFFAOYSA-N -1 1 266.703 3.535 20 10 CHCDMM [O-]c1c(Cl)cccc1CN1CCc2c(F)cccc2C1 ZINC000775690861 1122912986 /nfs/dbraw/zinc/91/29/86/1122912986.db2.gz YQZSPALKRGWOHF-UHFFFAOYSA-N -1 1 291.753 3.743 20 10 CHCDMM CCC(CC)CCCN(C)C(=O)c1c([O-])c(O)ccc1F ZINC000857332248 1123596496 /nfs/dbraw/zinc/59/64/96/1123596496.db2.gz OPOLKIADXMNDSO-UHFFFAOYSA-N -1 1 297.370 3.525 20 10 CHCDMM COc1ccc(NCc2c([O-])ccc(Cl)c2F)c(F)c1 ZINC000864042337 1123912725 /nfs/dbraw/zinc/91/27/25/1123912725.db2.gz GQTAMHYQSXIBGB-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM Cc1ccc(C)c(SCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000034980050 1124072059 /nfs/dbraw/zinc/07/20/59/1124072059.db2.gz RFWDOEJBNRUVSH-UHFFFAOYSA-N -1 1 288.368 3.690 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001234473973 1130647917 /nfs/dbraw/zinc/64/79/17/1130647917.db2.gz MGDCWSDAEUOYPC-ZYHUDNBSSA-N -1 1 292.375 3.894 20 10 CHCDMM CC[C@H](C)CC[C@@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234477035 1130648807 /nfs/dbraw/zinc/64/88/07/1130648807.db2.gz QQUIUYMKYTXPGN-WDEREUQCSA-N -1 1 280.364 3.894 20 10 CHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCC[C@H](F)C1 ZINC001236795602 1131008375 /nfs/dbraw/zinc/00/83/75/1131008375.db2.gz HSDJXINPOOULAI-VIFPVBQESA-N -1 1 278.154 3.633 20 10 CHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@H](F)C1 ZINC001237083215 1131047660 /nfs/dbraw/zinc/04/76/60/1131047660.db2.gz ZZZBNSSCQUZZPP-QMMMGPOBSA-N -1 1 278.154 3.633 20 10 CHCDMM C[C@H](N[C@@H](C)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000818355761 1131210706 /nfs/dbraw/zinc/21/07/06/1131210706.db2.gz CNISMQZBKKXUFF-BQBZGAKWSA-N -1 1 267.678 3.647 20 10 CHCDMM [O-]c1cccc(F)c1CN1Cc2cccc(Cl)c2C1 ZINC001137840367 1131422395 /nfs/dbraw/zinc/42/23/95/1131422395.db2.gz YRVPSXDMKYKPRX-UHFFFAOYSA-N -1 1 277.726 3.701 20 10 CHCDMM CN(Cc1cccc(F)c1[O-])[C@H](C1CCC1)C(F)(F)F ZINC001138129448 1131470008 /nfs/dbraw/zinc/47/00/08/1131470008.db2.gz DJRCVQXTTYADOK-CYBMUJFWSA-N -1 1 291.288 3.694 20 10 CHCDMM COc1ccc(N(C)Cc2cccc([O-])c2Cl)cc1 ZINC000328231295 1132503251 /nfs/dbraw/zinc/50/32/51/1132503251.db2.gz OFZVVRHNHBKWKY-UHFFFAOYSA-N -1 1 277.751 3.691 20 10 CHCDMM CC(C)Cc1cc(NCc2cccc(Cl)c2[O-])ncn1 ZINC001164342060 1133215126 /nfs/dbraw/zinc/21/51/26/1133215126.db2.gz LFCDDLRNAOMATD-UHFFFAOYSA-N -1 1 291.782 3.646 20 10 CHCDMM Cc1ccc(C)c(NCc2cc(F)cc(F)c2[O-])c1 ZINC000708481835 1119491687 /nfs/dbraw/zinc/49/16/87/1119491687.db2.gz UWNJWCRHKBFHLJ-UHFFFAOYSA-N -1 1 263.287 3.899 20 10 CHCDMM Cc1cc(O)c(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)cc1Cl ZINC001231868666 1132385126 /nfs/dbraw/zinc/38/51/26/1132385126.db2.gz VZFCSVJBRITMFE-KGLIPLIRSA-N -1 1 289.753 3.626 20 10 CHCDMM O=C(NCc1cccc(Cl)c1[O-])C1(C2CCC2)CCC1 ZINC000890761441 1118078612 /nfs/dbraw/zinc/07/86/12/1118078612.db2.gz SFLRHPNULQJKKB-UHFFFAOYSA-N -1 1 293.794 3.632 20 10 CHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCCC[C@H](F)C1 ZINC001237122777 1128978696 /nfs/dbraw/zinc/97/86/96/1128978696.db2.gz YRQHOQXOZBEAJP-VIFPVBQESA-N -1 1 275.726 3.509 20 10 CHCDMM C[C@@H](N[C@@H](C)C(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000883400748 1125408965 /nfs/dbraw/zinc/40/89/65/1125408965.db2.gz UHXKZBKBBAFBFU-RQJHMYQMSA-N -1 1 283.240 3.715 20 10 CHCDMM CC(C)n1ccc(NCc2c([O-])ccc(Cl)c2F)n1 ZINC000795587527 1129379157 /nfs/dbraw/zinc/37/91/57/1129379157.db2.gz JXROWKSRZHXJRX-UHFFFAOYSA-N -1 1 283.734 3.574 20 10 CHCDMM CC[C@H]1CC[C@H](Oc2cc([O-])c(O)cc2C(C)=O)CC1 ZINC001234475732 1130647186 /nfs/dbraw/zinc/64/71/86/1130647186.db2.gz IXPJPIFSGGDFDA-HAQNSBGRSA-N -1 1 278.348 3.648 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCc2ccccc21 ZINC001234473331 1130647277 /nfs/dbraw/zinc/64/72/77/1130647277.db2.gz DBVISMWNUQCERF-KRWDZBQOSA-N -1 1 298.338 3.757 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCC=CCCC1 ZINC001234473607 1130647304 /nfs/dbraw/zinc/64/73/04/1130647304.db2.gz ISVQDPDVTMIABH-LBPRGKRZSA-N -1 1 276.332 3.568 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1ccccc1F ZINC001234473890 1130647949 /nfs/dbraw/zinc/64/79/49/1130647949.db2.gz LSJAKWAIRQVAPV-JTQLQIEISA-N -1 1 290.290 3.580 20 10 CHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1Cc2ccncc2C1 ZINC001236796428 1131010378 /nfs/dbraw/zinc/01/03/78/1131010378.db2.gz OWBNSCYMHLHSSY-UHFFFAOYSA-N -1 1 295.169 3.610 20 10 CHCDMM CN(Cc1cccnc1)Cc1c([O-])ccc(Cl)c1Cl ZINC001237078608 1131047283 /nfs/dbraw/zinc/04/72/83/1131047283.db2.gz VHSBEXLFRGHBLR-UHFFFAOYSA-N -1 1 297.185 3.726 20 10 CHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@@H](F)C1 ZINC001237083212 1131048092 /nfs/dbraw/zinc/04/80/92/1131048092.db2.gz ZZZBNSSCQUZZPP-MRVPVSSYSA-N -1 1 278.154 3.633 20 10 CHCDMM C[C@H]1c2cccn2CCN1Cc1c([O-])ccc(F)c1Cl ZINC001237129652 1131056468 /nfs/dbraw/zinc/05/64/68/1131056468.db2.gz JDOYCWNKRFUQTI-JTQLQIEISA-N -1 1 294.757 3.563 20 10 CHCDMM COCc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816592723 1131109929 /nfs/dbraw/zinc/10/99/29/1131109929.db2.gz RYBQTBDYJNIBAR-UHFFFAOYSA-N -1 1 295.741 3.943 20 10 CHCDMM CC1(C)C[N@H+](Cc2cc(Cl)c(F)cc2O)CCS1 ZINC000816513676 1131103773 /nfs/dbraw/zinc/10/37/73/1131103773.db2.gz YQERUJNHJNNDBV-UHFFFAOYSA-N -1 1 289.803 3.512 20 10 CHCDMM CC[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000287201014 1127296614 /nfs/dbraw/zinc/29/66/14/1127296614.db2.gz DSVVATJGYLSLAZ-OIBJUYFYSA-N -1 1 265.250 3.523 20 10 CHCDMM C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000287443388 1127305567 /nfs/dbraw/zinc/30/55/67/1127305567.db2.gz UPGAGURPDHJXJY-KRTXAFLBSA-N -1 1 277.261 3.523 20 10 CHCDMM O=C1[N-]C(=S)S/C1=C\c1csc(Cl)c1Cl ZINC000761375287 1127767244 /nfs/dbraw/zinc/76/72/44/1127767244.db2.gz GZWRYUWOIMXGOE-RJRFIUFISA-N -1 1 296.225 3.544 20 10 CHCDMM CC[C@@H](C)C[C@@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473153 1128194019 /nfs/dbraw/zinc/19/40/19/1128194019.db2.gz CKYOZNGUOAXCLP-ZYHUDNBSSA-N -1 1 280.364 3.894 20 10 CHCDMM CC1=CC[C@](C)(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890760877 1118077529 /nfs/dbraw/zinc/07/75/29/1118077529.db2.gz CNZPDPAFDSUKAW-INIZCTEOSA-N -1 1 293.794 3.798 20 10 CHCDMM [O-]c1c(F)cc(F)cc1CNc1ccccc1Cl ZINC000708453225 1119466857 /nfs/dbraw/zinc/46/68/57/1119466857.db2.gz GGHDQXJUCWDSQL-UHFFFAOYSA-N -1 1 269.678 3.936 20 10 CHCDMM [O-]c1c(F)cc(Cl)cc1CN1CCc2ccsc2C1 ZINC000775701350 1122912267 /nfs/dbraw/zinc/91/22/67/1122912267.db2.gz SFVHVUYQCHEEEA-UHFFFAOYSA-N -1 1 297.782 3.805 20 10 CHCDMM CC(C)c1nccc(NCc2cccc(Cl)c2[O-])n1 ZINC000897391911 1125289006 /nfs/dbraw/zinc/28/90/06/1125289006.db2.gz FCZXIVXYOYVHJN-UHFFFAOYSA-N -1 1 277.755 3.571 20 10 CHCDMM C[C@H](NCC(F)(F)c1ccccc1)c1ccc(F)cc1[O-] ZINC000788979439 1130224193 /nfs/dbraw/zinc/22/41/93/1130224193.db2.gz GTFYCOLXNIPPEY-NSHDSACASA-N -1 1 295.304 3.974 20 10 CHCDMM COc1cc(F)c(F)cc1NCc1cccc(Cl)c1[O-] ZINC000811512562 1130619159 /nfs/dbraw/zinc/61/91/59/1130619159.db2.gz PDHKEBNCMTUDGT-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCc2cc(C)ccc21 ZINC001234474301 1130647499 /nfs/dbraw/zinc/64/74/99/1130647499.db2.gz QUWGKUHJCADJDU-KRWDZBQOSA-N -1 1 298.338 3.675 20 10 CHCDMM CC[C@H](Oc1cc([O-])c(O)cc1C(C)=O)C(C)(C)C ZINC001234474138 1130647910 /nfs/dbraw/zinc/64/79/10/1130647910.db2.gz OFIATTSBHPRNDS-AWEZNQCLSA-N -1 1 266.337 3.504 20 10 CHCDMM CC[C@@H](N[C@@H](CC)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000796962704 1130948524 /nfs/dbraw/zinc/94/85/24/1130948524.db2.gz WJAWDWRONWEXBE-PWSUYJOCSA-N -1 1 279.277 3.913 20 10 CHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1Cc2cccnc2C1 ZINC001236794957 1131008919 /nfs/dbraw/zinc/00/89/19/1131008919.db2.gz YGBGWNQDVBJNAE-UHFFFAOYSA-N -1 1 295.169 3.610 20 10 CHCDMM CN(C)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816525000 1131108727 /nfs/dbraw/zinc/10/87/27/1131108727.db2.gz ZYZHGQFLJJGMSF-UHFFFAOYSA-N -1 1 294.757 3.863 20 10 CHCDMM COc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1F ZINC000816570752 1131112469 /nfs/dbraw/zinc/11/24/69/1131112469.db2.gz GQFMRMPHCIOAPD-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM C[C@@]1(F)CCCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237616455 1131119424 /nfs/dbraw/zinc/11/94/24/1131119424.db2.gz DDGYCWGHCHQDRL-CQSZACIVSA-N -1 1 289.753 3.899 20 10 CHCDMM Cc1cc(NCc2c([O-])ccc(Cl)c2F)nn1C(C)C ZINC000817710488 1131180622 /nfs/dbraw/zinc/18/06/22/1131180622.db2.gz OZRDOOVGKCUBBC-UHFFFAOYSA-N -1 1 297.761 3.883 20 10 CHCDMM Cc1ccc2c(c1)CCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001139690123 1131629053 /nfs/dbraw/zinc/62/90/53/1131629053.db2.gz POPPEAFBBISOAP-UHFFFAOYSA-N -1 1 289.325 3.537 20 10 CHCDMM C[C@@H]1Cc2ccccc2CN1Cc1c(F)ccc(F)c1[O-] ZINC001139685986 1131629274 /nfs/dbraw/zinc/62/92/74/1131629274.db2.gz IRUZMIWWTDJRSD-LLVKDONJSA-N -1 1 289.325 3.617 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)[C@H](C)CC ZINC001233498860 1132628406 /nfs/dbraw/zinc/62/84/06/1132628406.db2.gz WNNUYEFVQCUBMA-MNOVXSKESA-N -1 1 280.364 3.894 20 10 CHCDMM CC[C@H](C)CC[C@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234477032 1130648373 /nfs/dbraw/zinc/64/83/73/1130648373.db2.gz QQUIUYMKYTXPGN-QWRGUYRKSA-N -1 1 280.364 3.894 20 10 CHCDMM CCC[C@@H](C)[C@@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234475018 1130647485 /nfs/dbraw/zinc/64/74/85/1130647485.db2.gz BVBYXKVSPFFWJL-MEBBXXQBSA-N -1 1 280.364 3.894 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1ccc2c(c1)COC2 ZINC000311619676 1127939302 /nfs/dbraw/zinc/93/93/02/1127939302.db2.gz HWRKFUFDYZBQGE-UHFFFAOYSA-N -1 1 275.735 3.688 20 10 CHCDMM COc1cccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])c1F ZINC000769985407 1129934603 /nfs/dbraw/zinc/93/46/03/1129934603.db2.gz MKMZOTBSZSBRAU-QMMMGPOBSA-N -1 1 297.276 3.991 20 10 CHCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccccc1F ZINC000790978230 1130344839 /nfs/dbraw/zinc/34/48/39/1130344839.db2.gz ZSYKCUFOYZHNIH-UHFFFAOYSA-N -1 1 269.678 3.936 20 10 CHCDMM CC/C=C(\C)[C@@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234475671 1130647620 /nfs/dbraw/zinc/64/76/20/1130647620.db2.gz IHADXUDFRUUGQB-JOZWUWCOSA-N -1 1 278.348 3.814 20 10 CHCDMM [O-]c1ccc(F)c(Cl)c1CN(Cc1ccco1)C1CC1 ZINC001237130532 1131056814 /nfs/dbraw/zinc/05/68/14/1131056814.db2.gz NORCVOBAUWDXOU-UHFFFAOYSA-N -1 1 295.741 3.942 20 10 CHCDMM CSc1ccc(NCc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816563639 1131111148 /nfs/dbraw/zinc/11/11/48/1131111148.db2.gz FEJKAIBZDKAMJU-UHFFFAOYSA-N -1 1 298.770 3.914 20 10 CHCDMM C[C@@H](N[C@H](C)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000818355765 1131210811 /nfs/dbraw/zinc/21/08/11/1131210811.db2.gz CNISMQZBKKXUFF-RNFRBKRXSA-N -1 1 267.678 3.647 20 10 CHCDMM [O-]c1cc(Cl)ccc1CN1Cc2cnc(Cl)cc2C1 ZINC001140468284 1131753435 /nfs/dbraw/zinc/75/34/35/1131753435.db2.gz DSYHTLCZSWOORQ-UHFFFAOYSA-N -1 1 295.169 3.610 20 10 CHCDMM CN(Cc1cccc(Cl)c1[O-])Cc1cccc(F)c1F ZINC001231914590 1132399086 /nfs/dbraw/zinc/39/90/86/1132399086.db2.gz POQCWPOKPBJBRI-UHFFFAOYSA-N -1 1 297.732 3.956 20 10 CHCDMM CN(Cc1ccc(F)cc1F)Cc1c([O-])ccc(F)c1F ZINC001233336103 1132602888 /nfs/dbraw/zinc/60/28/88/1132602888.db2.gz YPTHIGXMGUHRCM-UHFFFAOYSA-N -1 1 299.267 3.581 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CC[C@@H](C)C1 ZINC001233497545 1132628799 /nfs/dbraw/zinc/62/87/99/1132628799.db2.gz ONDOXNWJTHWPBY-MNOVXSKESA-N -1 1 278.348 3.648 20 10 CHCDMM CC(C)CC1(C(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC001159034558 1132803198 /nfs/dbraw/zinc/80/31/98/1132803198.db2.gz XFQYPFKTJIRYMA-UHFFFAOYSA-N -1 1 295.810 3.878 20 10 CHCDMM Nc1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1 ZINC001214490021 1134545353 /nfs/dbraw/zinc/54/53/53/1134545353.db2.gz MZTXMJLXSWUKQK-UHFFFAOYSA-N -1 1 252.676 3.511 20 10 CHCDMM CC[C@@H](Nc1cnn(CC)c1)c1cccc(Cl)c1[O-] ZINC000287733610 522966045 /nfs/dbraw/zinc/96/60/45/522966045.db2.gz PHQATGLDZXGXCE-CYBMUJFWSA-N -1 1 279.771 3.825 20 10 CHCDMM CCC(CC)(C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(=O)[O-] ZINC001595078053 979359596 /nfs/dbraw/zinc/35/95/96/979359596.db2.gz XLVPEULLAGZAOE-JTQLQIEISA-N -1 1 299.798 3.587 20 10 CHCDMM CN(Cc1cccc(F)c1[O-])[C@@H](C1CCC1)C(F)(F)F ZINC001138129449 1131470391 /nfs/dbraw/zinc/47/03/91/1131470391.db2.gz DJRCVQXTTYADOK-ZDUSSCGKSA-N -1 1 291.288 3.694 20 10 CHCDMM CC(C)n1cc(NCc2cc(Cl)cc(F)c2[O-])cn1 ZINC000777465399 1126944693 /nfs/dbraw/zinc/94/46/93/1126944693.db2.gz LSLJGXXBVVNJPF-UHFFFAOYSA-N -1 1 283.734 3.574 20 10 CHCDMM [O-]c1ccc(F)c(Cl)c1CN1CCC[C@H]1C(F)(F)F ZINC001237125312 1131056546 /nfs/dbraw/zinc/05/65/46/1131056546.db2.gz XSNYCLNOFCOECL-JTQLQIEISA-N -1 1 297.679 3.711 20 10 CHCDMM Cc1cc(NCc2cccc(Cl)c2[O-])ccc1[N+](=O)[O-] ZINC000165035144 1127209798 /nfs/dbraw/zinc/20/97/98/1127209798.db2.gz FRVRJCIAJVYCJF-UHFFFAOYSA-N -1 1 292.722 3.874 20 10 CHCDMM [O-]c1c(Cl)cc(Cl)cc1Nc1ccncc1Cl ZINC001212155416 1127211200 /nfs/dbraw/zinc/21/12/00/1127211200.db2.gz NZGUGHDWURUFSU-UHFFFAOYSA-N -1 1 289.549 3.913 20 10 CHCDMM [O-]c1cc(Cl)c(F)cc1CN1CCCCC(F)(F)C1 ZINC001237935077 1131154149 /nfs/dbraw/zinc/15/41/49/1131154149.db2.gz PZQAVZKNJPZEIF-UHFFFAOYSA-N -1 1 293.716 3.806 20 10 CHCDMM CC(=O)Nc1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000158051455 1127415173 /nfs/dbraw/zinc/41/51/73/1127415173.db2.gz XZHOMYUNUWFHTL-UHFFFAOYSA-N -1 1 290.750 3.616 20 10 CHCDMM C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1cncs1 ZINC000903311058 1120082103 /nfs/dbraw/zinc/08/21/03/1120082103.db2.gz MLGCMNCWRXWPHO-YUMQZZPRSA-N -1 1 284.331 3.539 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1ccc(Cl)cn1 ZINC000191935241 1120531581 /nfs/dbraw/zinc/53/15/81/1120531581.db2.gz QLPLBYJNPDFIRE-UHFFFAOYSA-N -1 1 269.131 3.706 20 10 CHCDMM Cc1noc(C)c1[N-]c1nc(-c2ccncc2)cs1 ZINC001176175576 1121563409 /nfs/dbraw/zinc/56/34/09/1121563409.db2.gz DIKOCQVQFNTHAX-UHFFFAOYSA-N -1 1 272.333 3.554 20 10 CHCDMM CCC1(NC(=O)c2ccc(O)c([O-])c2Cl)CCCCC1 ZINC001193237120 1122682306 /nfs/dbraw/zinc/68/23/06/1122682306.db2.gz WUYSJWOXMINZSV-UHFFFAOYSA-N -1 1 297.782 3.594 20 10 CHCDMM [O-]c1c(Cl)cccc1CN1CCc2cccc(F)c2C1 ZINC000775700661 1122914336 /nfs/dbraw/zinc/91/43/36/1122914336.db2.gz MCUOZUGQQLAYDH-UHFFFAOYSA-N -1 1 291.753 3.743 20 10 CHCDMM COCc1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000195104863 1129142041 /nfs/dbraw/zinc/14/20/41/1129142041.db2.gz AAXSDDSJRUTZLU-UHFFFAOYSA-N -1 1 277.751 3.804 20 10 CHCDMM COc1cc(C)ccc1NCc1cccc(Cl)c1[O-] ZINC000124635877 1124800404 /nfs/dbraw/zinc/80/04/04/1124800404.db2.gz OPTRECBXTMFMDQ-UHFFFAOYSA-N -1 1 277.751 3.975 20 10 CHCDMM CC[C@@H](C)n1nc(NCc2cc(F)cc(F)c2[O-])cc1C ZINC000883083143 1125370517 /nfs/dbraw/zinc/37/05/17/1125370517.db2.gz BCVWANRSGAPBFP-SECBINFHSA-N -1 1 295.333 3.758 20 10 CHCDMM CC[C@@H](C)n1ncc(NCc2cc(F)cc(F)c2[O-])c1C ZINC000883102355 1125372162 /nfs/dbraw/zinc/37/21/62/1125372162.db2.gz NPMZATGSTNXNCD-SECBINFHSA-N -1 1 295.333 3.758 20 10 CHCDMM COc1cccc(NCc2cc(Cl)cc(F)c2[O-])c1F ZINC000770665909 1129954342 /nfs/dbraw/zinc/95/43/42/1129954342.db2.gz GYKLGESALORYME-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM C[C@@H]1C[C@@H](C)N1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000793220970 1130530155 /nfs/dbraw/zinc/53/01/55/1130530155.db2.gz SNERWPSHSZURCB-HTQZYQBOSA-N -1 1 260.164 3.682 20 10 CHCDMM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCC1(F)F ZINC000811512063 1130618177 /nfs/dbraw/zinc/61/81/77/1130618177.db2.gz DEDLIHPAQBUHJE-QMMMGPOBSA-N -1 1 293.716 3.662 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001234473966 1130647666 /nfs/dbraw/zinc/64/76/66/1130647666.db2.gz MGDCWSDAEUOYPC-CMPLNLGQSA-N -1 1 292.375 3.894 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1ccccc1C ZINC001234474622 1130648090 /nfs/dbraw/zinc/64/80/90/1130648090.db2.gz UTPRIAAEJAFQCX-GFCCVEGCSA-N -1 1 286.327 3.749 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)CCC(C)C ZINC001234473378 1130648118 /nfs/dbraw/zinc/64/81/18/1130648118.db2.gz FRDPIZLVSNVKGJ-JTQLQIEISA-N -1 1 266.337 3.504 20 10 CHCDMM COc1ccccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816521919 1131107290 /nfs/dbraw/zinc/10/72/90/1131107290.db2.gz CTNBWIGXTYDJBK-UHFFFAOYSA-N -1 1 281.714 3.805 20 10 CHCDMM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001237800446 1131140372 /nfs/dbraw/zinc/14/03/72/1131140372.db2.gz YZZOQWUQJWHNAQ-MRVPVSSYSA-N -1 1 297.679 3.569 20 10 CHCDMM C[C@@H](N[C@@H](C)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000818355764 1131210414 /nfs/dbraw/zinc/21/04/14/1131210414.db2.gz CNISMQZBKKXUFF-NKWVEPMBSA-N -1 1 267.678 3.647 20 10 CHCDMM [O-]c1cc(Cl)ccc1CN1CCCC[C@H]1C(F)(F)F ZINC001140466212 1131752658 /nfs/dbraw/zinc/75/26/58/1131752658.db2.gz BGGMYVHSBHUAAL-LBPRGKRZSA-N -1 1 293.716 3.962 20 10 CHCDMM [O-]c1c(CN2Cc3ccccc3C2)cccc1C(F)(F)F ZINC001233415631 1132618173 /nfs/dbraw/zinc/61/81/73/1132618173.db2.gz DAXACINQWGIFBB-UHFFFAOYSA-N -1 1 293.288 3.927 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCC[C@H]1F ZINC001233495645 1132629373 /nfs/dbraw/zinc/62/93/73/1132629373.db2.gz JABMDVYUWLZKHD-ABAIWWIYSA-N -1 1 296.338 3.740 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCC[C@@H]1F ZINC001233495648 1132629496 /nfs/dbraw/zinc/62/94/96/1132629496.db2.gz JABMDVYUWLZKHD-XHDPSFHLSA-N -1 1 296.338 3.740 20 10 CHCDMM COc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185714674 262068138 /nfs/dbraw/zinc/06/81/38/262068138.db2.gz JXRJCMALENCVGX-LBPRGKRZSA-N -1 1 289.350 3.699 20 10 CHCDMM CCc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000708479787 1119482091 /nfs/dbraw/zinc/48/20/91/1119482091.db2.gz AAHZAYZISYSYLP-UHFFFAOYSA-N -1 1 263.287 3.845 20 10 CHCDMM [O-]c1cc(F)c(F)cc1CN1CC[C@H]1c1cccc(F)c1 ZINC001179855231 1121915665 /nfs/dbraw/zinc/91/56/65/1121915665.db2.gz OXKYALCJAWHVHK-HNNXBMFYSA-N -1 1 293.288 3.757 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1cncc2c1CCCC2 ZINC001182845439 1122189998 /nfs/dbraw/zinc/18/99/98/1122189998.db2.gz SUICILKROUMRRJ-UHFFFAOYSA-N -1 1 288.778 3.932 20 10 CHCDMM CC(C)c1cc(NCc2cccc(Cl)c2[O-])ncn1 ZINC000897392131 1125288786 /nfs/dbraw/zinc/28/87/86/1125288786.db2.gz OBDQRRDQUHKSMI-UHFFFAOYSA-N -1 1 277.755 3.571 20 10 CHCDMM O=C(CNc1cccc(C2CCC2)c1)c1ccc([O-])c(O)c1 ZINC001170321172 1130482031 /nfs/dbraw/zinc/48/20/31/1130482031.db2.gz WFMOKOAKGOVCAX-UHFFFAOYSA-N -1 1 297.354 3.660 20 10 CHCDMM CC(C)(C)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001170316438 1130482312 /nfs/dbraw/zinc/48/23/12/1130482312.db2.gz RMYIWRLAWLGAGB-UHFFFAOYSA-N -1 1 299.370 3.690 20 10 CHCDMM CCC[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)[C@H](C)CC ZINC001234474002 1130647335 /nfs/dbraw/zinc/64/73/35/1130647335.db2.gz MQGKSENVBBDCNX-MEBBXXQBSA-N -1 1 280.364 3.894 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1[C@H](C)CCC[C@@H]1C ZINC001234476007 1130647635 /nfs/dbraw/zinc/64/76/35/1130647635.db2.gz JPOXBITYWPVTEP-ORMTXKICSA-N -1 1 278.348 3.504 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](c1ccccc1)C1CC1 ZINC001234473133 1130647649 /nfs/dbraw/zinc/64/76/49/1130647649.db2.gz CJQUHHJQWLYTDP-SFHVURJKSA-N -1 1 298.338 3.831 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1ccc(C)cc1 ZINC001234475087 1130647746 /nfs/dbraw/zinc/64/77/46/1130647746.db2.gz CXJDBZMARYZKSH-LBPRGKRZSA-N -1 1 286.327 3.749 20 10 CHCDMM C[C@H](NC1(C(F)F)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815623255 1131010449 /nfs/dbraw/zinc/01/04/49/1131010449.db2.gz RXPDPHMNOGMHCS-ZETCQYMHSA-N -1 1 295.251 3.859 20 10 CHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC(F)(C2CC2)C1 ZINC001237078385 1131048239 /nfs/dbraw/zinc/04/82/39/1131048239.db2.gz RCFBEGCRQHNSQD-UHFFFAOYSA-N -1 1 290.165 3.633 20 10 CHCDMM COc1ccc(F)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816558505 1131111850 /nfs/dbraw/zinc/11/18/50/1131111850.db2.gz BFRJHDOYOUWZDM-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC000816648788 1131120313 /nfs/dbraw/zinc/12/03/13/1131120313.db2.gz PHJFQKFNVVXCCE-SFYZADRCSA-N -1 1 260.164 3.539 20 10 CHCDMM CN(Cc1c([O-])cccc1F)[C@@H](C1CCC1)C(F)(F)F ZINC001137839192 1131421515 /nfs/dbraw/zinc/42/15/15/1131421515.db2.gz VSZDJOAKLUOOIU-ZDUSSCGKSA-N -1 1 291.288 3.694 20 10 CHCDMM Cc1ccc2c(c1)CCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140585330 1131811563 /nfs/dbraw/zinc/81/15/63/1131811563.db2.gz FSCVTUDZUNFLIA-UHFFFAOYSA-N -1 1 289.325 3.537 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1C=CCCC1 ZINC001233494183 1132627430 /nfs/dbraw/zinc/62/74/30/1132627430.db2.gz AKNBHIKLOZFMHT-LLVKDONJSA-N -1 1 276.332 3.568 20 10 CHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001203586188 1133342655 /nfs/dbraw/zinc/34/26/55/1133342655.db2.gz NFPBHGATLHVRSA-PELKAZGASA-N -1 1 272.175 3.683 20 10 CHCDMM C[C@H](N[C@H](C1CC1)C(F)(F)F)c1c([O-])cccc1F ZINC000886611078 1125696745 /nfs/dbraw/zinc/69/67/45/1125696745.db2.gz RWHPDQDRHSIADM-JVXZTZIISA-N -1 1 277.261 3.523 20 10 CHCDMM CC[C@@H](C)CC[C@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234477029 1130648952 /nfs/dbraw/zinc/64/89/52/1130648952.db2.gz QQUIUYMKYTXPGN-MNOVXSKESA-N -1 1 280.364 3.894 20 10 CHCDMM Cc1cc(Br)c(O)c(C[N@@H+]2CC=C(C)CC2)c1 ZINC000781913969 1130747060 /nfs/dbraw/zinc/74/70/60/1130747060.db2.gz UWCOZXJLNARVBI-UHFFFAOYSA-N -1 1 296.208 3.615 20 10 CHCDMM [O-]c1c(Cl)cc(F)cc1CN1CC[C@H](C(F)(F)F)C1 ZINC001237800449 1131141233 /nfs/dbraw/zinc/14/12/33/1131141233.db2.gz YZZOQWUQJWHNAQ-QMMMGPOBSA-N -1 1 297.679 3.569 20 10 CHCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CC(F)(C2CC2)C1 ZINC001236793425 1128892296 /nfs/dbraw/zinc/89/22/96/1128892296.db2.gz KPPXJSMAEDXOOQ-UHFFFAOYSA-N -1 1 290.165 3.633 20 10 CHCDMM COc1cccc(NCc2cccc(Cl)c2[O-])c1F ZINC000689968007 1122107818 /nfs/dbraw/zinc/10/78/18/1122107818.db2.gz YTQBGNDOBKNDPW-UHFFFAOYSA-N -1 1 281.714 3.805 20 10 CHCDMM [O-]c1c(F)cc(Cl)cc1CN1CCc2ccccc2C1 ZINC000775632861 1122837585 /nfs/dbraw/zinc/83/75/85/1122837585.db2.gz BTSSWVVKLGINGE-UHFFFAOYSA-N -1 1 291.753 3.743 20 10 CHCDMM CCC[C@H](Oc1cc([O-])c(O)cc1C(C)=O)[C@H](C)CC ZINC001234473998 1130647245 /nfs/dbraw/zinc/64/72/45/1130647245.db2.gz MQGKSENVBBDCNX-BMIGLBTASA-N -1 1 280.364 3.894 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCc2ccccc21 ZINC001234473333 1130647738 /nfs/dbraw/zinc/64/77/38/1130647738.db2.gz DBVISMWNUQCERF-QGZVFWFLSA-N -1 1 298.338 3.757 20 10 CHCDMM CC[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)c1ccccc1 ZINC001234474514 1130648049 /nfs/dbraw/zinc/64/80/49/1130648049.db2.gz SRLOOLGKAIMJCQ-MRXNPFEDSA-N -1 1 286.327 3.831 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCc2c1cccc2C ZINC001234473050 1130648144 /nfs/dbraw/zinc/64/81/44/1130648144.db2.gz AOSZFSNMLKAZAJ-KRWDZBQOSA-N -1 1 298.338 3.675 20 10 CHCDMM C[C@H]1CCN(Cc2c([O-])ccc(F)c2Cl)CC1(F)F ZINC001237119834 1131053563 /nfs/dbraw/zinc/05/35/63/1131053563.db2.gz GHFZMVUWVVACST-QMMMGPOBSA-N -1 1 293.716 3.662 20 10 CHCDMM [O-]c1ccc(F)c(Cl)c1CN1Cc2ccc(F)cc2C1 ZINC001237126642 1131054995 /nfs/dbraw/zinc/05/49/95/1131054995.db2.gz NZRNCIQDIAOHNS-UHFFFAOYSA-N -1 1 295.716 3.840 20 10 CHCDMM COc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1F ZINC000816522665 1131106630 /nfs/dbraw/zinc/10/66/30/1131106630.db2.gz JPPOUSJPJQSMFJ-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM COc1ccc(NCc2cc(Cl)c(F)cc2[O-])c(C)n1 ZINC000816558160 1131111480 /nfs/dbraw/zinc/11/14/80/1131111480.db2.gz OUKODKAQUCKSQZ-UHFFFAOYSA-N -1 1 296.729 3.509 20 10 CHCDMM CSc1ccncc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816558460 1131111619 /nfs/dbraw/zinc/11/16/19/1131111619.db2.gz ZTARLTULZNKKCU-UHFFFAOYSA-N -1 1 298.770 3.914 20 10 CHCDMM CSc1ccc(NCc2cc(Cl)c(F)cc2[O-])nc1 ZINC000816557189 1131111800 /nfs/dbraw/zinc/11/18/00/1131111800.db2.gz HEQFHWNTSZIQHV-UHFFFAOYSA-N -1 1 298.770 3.914 20 10 CHCDMM COc1ncc(C)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816558089 1131111812 /nfs/dbraw/zinc/11/18/12/1131111812.db2.gz MROISUQMYUQUFW-UHFFFAOYSA-N -1 1 296.729 3.509 20 10 CHCDMM [O-]c1c(F)cccc1CN1CCc2c3ccccc3oc2C1 ZINC001138129728 1131469561 /nfs/dbraw/zinc/46/95/61/1131469561.db2.gz TWSOQTNQEFXRDN-UHFFFAOYSA-N -1 1 297.329 3.836 20 10 CHCDMM Cc1cccc(C[N@@H+](C)Cc2c(O)ccc(F)c2F)c1 ZINC001233331648 1132600776 /nfs/dbraw/zinc/60/07/76/1132600776.db2.gz FICLMWOFNNXOBE-UHFFFAOYSA-N -1 1 277.314 3.611 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001233496572 1132629576 /nfs/dbraw/zinc/62/95/76/1132629576.db2.gz XBZGOVZVCXGRFO-OHUAYANFSA-N -1 1 290.359 3.648 20 10 CHCDMM CN(c1ccc(N)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC001214491939 1134545397 /nfs/dbraw/zinc/54/53/97/1134545397.db2.gz MZYDKMYHKMWBBI-UHFFFAOYSA-N -1 1 266.703 3.535 20 10 CHCDMM CC[C@@H](C)CC[C@@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234477022 1130648999 /nfs/dbraw/zinc/64/89/99/1130648999.db2.gz QQUIUYMKYTXPGN-GHMZBOCLSA-N -1 1 280.364 3.894 20 10 CHCDMM O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2[O-])c(F)c1 ZINC000165034751 1127210018 /nfs/dbraw/zinc/21/00/18/1127210018.db2.gz XYYHEVGFQONIBC-UHFFFAOYSA-N -1 1 296.685 3.705 20 10 CHCDMM [O-]c1c(Cl)c(Cl)ccc1Nc1ccncc1Cl ZINC001212159992 1127228951 /nfs/dbraw/zinc/22/89/51/1127228951.db2.gz HKGCIJKZFXYTNG-UHFFFAOYSA-N -1 1 289.549 3.913 20 10 CHCDMM C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000287443392 1127305491 /nfs/dbraw/zinc/30/54/91/1127305491.db2.gz UPGAGURPDHJXJY-MADCSZMMSA-N -1 1 277.261 3.523 20 10 CHCDMM CC[C@H](Nc1cnn(CC)c1)c1cccc(Cl)c1[O-] ZINC000287733616 1127313056 /nfs/dbraw/zinc/31/30/56/1127313056.db2.gz PHQATGLDZXGXCE-ZDUSSCGKSA-N -1 1 279.771 3.825 20 10 CHCDMM CCn1nc(C)c(NCc2cc(Cl)c(F)cc2[O-])c1C ZINC000293701042 1127513768 /nfs/dbraw/zinc/51/37/68/1127513768.db2.gz TTWLOKDHLAYRHU-UHFFFAOYSA-N -1 1 297.761 3.630 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1OC1C[C@@H](C)C[C@H](C)C1 ZINC001234474248 1128194611 /nfs/dbraw/zinc/19/46/11/1128194611.db2.gz PTTZAUIQICUUAC-UWVGGRQHSA-N -1 1 278.348 3.504 20 10 CHCDMM COCc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000774482753 1122169014 /nfs/dbraw/zinc/16/90/14/1122169014.db2.gz BVTHEKIHTIDQOV-SNVBAGLBSA-N -1 1 293.313 3.990 20 10 CHCDMM CCc1ccc(NCc2cccc(Cl)c2[O-])nc1 ZINC001183490595 1122225139 /nfs/dbraw/zinc/22/51/39/1122225139.db2.gz JBWJWOWBVJTQDR-UHFFFAOYSA-N -1 1 262.740 3.615 20 10 CHCDMM Oc1cccc(F)c1C[NH2+]Cc1ccc2ccccc2c1O ZINC001183918933 1122248642 /nfs/dbraw/zinc/24/86/42/1122248642.db2.gz CXPPQYAJMTWDRM-UHFFFAOYSA-N -1 1 297.329 3.680 20 10 CHCDMM CCOc1ncccc1NCc1cc(Cl)cc(F)c1[O-] ZINC000776252190 1123179660 /nfs/dbraw/zinc/17/96/60/1123179660.db2.gz PGBKCCBRYJVWGB-UHFFFAOYSA-N -1 1 296.729 3.591 20 10 CHCDMM C[C@@H](N[C@H](C)C(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000883400747 1125408775 /nfs/dbraw/zinc/40/87/75/1125408775.db2.gz UHXKZBKBBAFBFU-RNFRBKRXSA-N -1 1 283.240 3.715 20 10 CHCDMM Cc1cccc(F)c1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790971948 1130343864 /nfs/dbraw/zinc/34/38/64/1130343864.db2.gz BIGSHYMKZNMXHI-UHFFFAOYSA-N -1 1 297.732 3.922 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCc2ccc(C)cc21 ZINC001234473118 1130647439 /nfs/dbraw/zinc/64/74/39/1130647439.db2.gz BXFPRLKILUFXJY-KRWDZBQOSA-N -1 1 298.338 3.675 20 10 CHCDMM CCC[C@H](Oc1cc([O-])c(O)cc1C(C)=O)[C@@H](C)CC ZINC001234474000 1130648020 /nfs/dbraw/zinc/64/80/20/1130648020.db2.gz MQGKSENVBBDCNX-BONVTDFDSA-N -1 1 280.364 3.894 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001234477577 1130648881 /nfs/dbraw/zinc/64/88/81/1130648881.db2.gz UOLYLZSGHMRZIA-HFBDOXOYSA-N -1 1 278.348 3.504 20 10 CHCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(C2CCCC2)cc1 ZINC000812239787 1130678458 /nfs/dbraw/zinc/67/84/58/1130678458.db2.gz FFDJZOOXDZXGGC-UKTHLTGXSA-N -1 1 289.425 3.833 20 10 CHCDMM C[N@H+](Cc1nccs1)Cc1ccc2ccccc2c1O ZINC000816514466 1131103408 /nfs/dbraw/zinc/10/34/08/1131103408.db2.gz ZDHJJQDONXBQEO-UHFFFAOYSA-N -1 1 284.384 3.634 20 10 CHCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc2c(c1)OCO2 ZINC000816536690 1131105865 /nfs/dbraw/zinc/10/58/65/1131105865.db2.gz HEYNIRDHTASBCF-UHFFFAOYSA-N -1 1 295.697 3.526 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CC[C@H](C)C1 ZINC001233497547 1132629139 /nfs/dbraw/zinc/62/91/39/1132629139.db2.gz ONDOXNWJTHWPBY-WDEREUQCSA-N -1 1 278.348 3.648 20 10 CHCDMM Cc1ccoc1C[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC001205999496 1133640407 /nfs/dbraw/zinc/64/04/07/1133640407.db2.gz YRSMRCOHCOBVHX-UHFFFAOYSA-N -1 1 279.767 3.887 20 10 CHCDMM CC(C)C(NC(=O)NCc1cccc(Cl)c1[O-])C(C)C ZINC001223713962 1135374684 /nfs/dbraw/zinc/37/46/84/1135374684.db2.gz PRFWHJOMPDWCNW-UHFFFAOYSA-N -1 1 298.814 3.525 20 10 CHCDMM [O-]c1c(Cl)cccc1CN1CCOCc2ccccc21 ZINC000291699351 526326584 /nfs/dbraw/zinc/32/65/84/526326584.db2.gz YWSDJMFVAULAJK-UHFFFAOYSA-N -1 1 289.762 3.582 20 10 CHCDMM COc1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000124615728 1124800570 /nfs/dbraw/zinc/80/05/70/1124800570.db2.gz KAACPKFXQNWCKM-UHFFFAOYSA-N -1 1 263.724 3.666 20 10 CHCDMM CC[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)C(C)(C)C ZINC001234474139 1130647568 /nfs/dbraw/zinc/64/75/68/1130647568.db2.gz OFIATTSBHPRNDS-CQSZACIVSA-N -1 1 266.337 3.504 20 10 CHCDMM CCN(Cc1cccc(Cl)c1[O-])c1cccc(O)c1 ZINC001308864736 1127527762 /nfs/dbraw/zinc/52/77/62/1127527762.db2.gz KZZHTDOOOFNOQN-UHFFFAOYSA-N -1 1 277.751 3.778 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1OC1C[C@H](C)C[C@@H](C)C1 ZINC001234474247 1128194520 /nfs/dbraw/zinc/19/45/20/1128194520.db2.gz PTTZAUIQICUUAC-NXEZZACHSA-N -1 1 278.348 3.504 20 10 CHCDMM C/C(=C/C(C)(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759162 1118076523 /nfs/dbraw/zinc/07/65/23/1118076523.db2.gz FGVAOYUNEXWASD-NTMALXAHSA-N -1 1 281.783 3.654 20 10 CHCDMM C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894017970 1121454254 /nfs/dbraw/zinc/45/42/54/1121454254.db2.gz UWSKTKIJVMWRHB-SNVBAGLBSA-N -1 1 293.313 3.569 20 10 CHCDMM CC[C@@H](Nc1cnn(CCF)c1)c1cccc(Cl)c1[O-] ZINC000858492334 1123657658 /nfs/dbraw/zinc/65/76/58/1123657658.db2.gz WBNYRGMYTNUCHM-CYBMUJFWSA-N -1 1 297.761 3.775 20 10 CHCDMM CCc1nc([C@@H](C)NCc2ccc(F)c(F)c2[O-])cs1 ZINC000877045917 1125001579 /nfs/dbraw/zinc/00/15/79/1125001579.db2.gz GBEAHGYZROJHST-MRVPVSSYSA-N -1 1 298.358 3.540 20 10 CHCDMM CC[C@H](C)n1nc(NCc2cc(F)cc(F)c2[O-])cc1C ZINC000883083144 1125370934 /nfs/dbraw/zinc/37/09/34/1125370934.db2.gz BCVWANRSGAPBFP-VIFPVBQESA-N -1 1 295.333 3.758 20 10 CHCDMM CN(Cc1ccoc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769006311 1129888677 /nfs/dbraw/zinc/88/86/77/1129888677.db2.gz RKZMDRQPPNXDQO-UHFFFAOYSA-N -1 1 286.158 3.924 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1ccc2c(c1)CCOC2 ZINC000827314289 1130556775 /nfs/dbraw/zinc/55/67/75/1130556775.db2.gz ZYEZFPKRLOFMQY-UHFFFAOYSA-N -1 1 289.762 3.730 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@H](C)CC[C@@H]1C ZINC001234473995 1130647518 /nfs/dbraw/zinc/64/75/18/1130647518.db2.gz MODHMNUOOIYPKQ-HFBDOXOYSA-N -1 1 278.348 3.504 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCC(C)(C)C1 ZINC001234474955 1130647640 /nfs/dbraw/zinc/64/76/40/1130647640.db2.gz ARZLHLYPBHWFAD-NSHDSACASA-N -1 1 278.348 3.648 20 10 CHCDMM CCCC(CCC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474321 1130647854 /nfs/dbraw/zinc/64/78/54/1130647854.db2.gz RBOVNMLIDWRKLS-UHFFFAOYSA-N -1 1 266.337 3.648 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1ccc(C)cc1 ZINC001234475084 1130647991 /nfs/dbraw/zinc/64/79/91/1130647991.db2.gz CXJDBZMARYZKSH-GFCCVEGCSA-N -1 1 286.327 3.749 20 10 CHCDMM [O-]c1cc(F)c(Cl)cc1CNc1cccc2c1CCO2 ZINC000816596201 1131115023 /nfs/dbraw/zinc/11/50/23/1131115023.db2.gz SRCZYXDQIJBZJF-UHFFFAOYSA-N -1 1 293.725 3.732 20 10 CHCDMM C[N@H+](Cc1ccsc1)Cc1cc(F)c(Cl)cc1O ZINC001237937008 1131152594 /nfs/dbraw/zinc/15/25/94/1131152594.db2.gz NCISEJHCYFLERJ-UHFFFAOYSA-N -1 1 285.771 3.878 20 10 CHCDMM C[C@H](Nc1ccc2c(c1)CCN2)c1cc(F)cc(F)c1[O-] ZINC000817948705 1131189282 /nfs/dbraw/zinc/18/92/82/1131189282.db2.gz CMBKJIFJRMJEHY-VIFPVBQESA-N -1 1 290.313 3.812 20 10 CHCDMM CCN(Cc1cccs1)Cc1c(F)ccc(F)c1[O-] ZINC001139685253 1131628686 /nfs/dbraw/zinc/62/86/86/1131628686.db2.gz CKUGJOXGKOUNMW-UHFFFAOYSA-N -1 1 283.343 3.754 20 10 CHCDMM [O-]c1ccc(F)c(F)c1CN1CCCC[C@H]1C(F)(F)F ZINC001233334673 1132603509 /nfs/dbraw/zinc/60/35/09/1132603509.db2.gz PKXMMQAGXKAWGM-NSHDSACASA-N -1 1 295.251 3.587 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)[C@@H](C)CC ZINC001233498865 1132628771 /nfs/dbraw/zinc/62/87/71/1132628771.db2.gz WNNUYEFVQCUBMA-WDEREUQCSA-N -1 1 280.364 3.894 20 10 CHCDMM COc1cc(NCc2cccc(Cl)c2[O-])ccc1F ZINC000160017065 1126762335 /nfs/dbraw/zinc/76/23/35/1126762335.db2.gz UWTHKDBVRCGSBD-UHFFFAOYSA-N -1 1 281.714 3.805 20 10 CHCDMM CN1CCN(Cc2cccc(Cl)c2[O-])c2ccccc21 ZINC000166375328 1126993492 /nfs/dbraw/zinc/99/34/92/1126993492.db2.gz UJVSFLQJCRQBHS-UHFFFAOYSA-N -1 1 288.778 3.502 20 10 CHCDMM Oc1cc(Cl)ccc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC001140465627 1118742976 /nfs/dbraw/zinc/74/29/76/1118742976.db2.gz OLCXHQPOHCIGPZ-UHFFFAOYSA-N -1 1 291.753 3.743 20 10 CHCDMM CC1(CC(=O)NCc2cccc(Cl)c2[O-])CCCC1 ZINC001180410866 1121987165 /nfs/dbraw/zinc/98/71/65/1121987165.db2.gz TWZOOEWZMVFNGH-UHFFFAOYSA-N -1 1 281.783 3.632 20 10 CHCDMM CCc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001180409836 1121987240 /nfs/dbraw/zinc/98/72/40/1121987240.db2.gz GDGGXICKJCZBES-UHFFFAOYSA-N -1 1 289.762 3.538 20 10 CHCDMM [O-]c1c(F)cc(F)cc1CN1CCc2ccc(Cl)cc21 ZINC001180750803 1122011095 /nfs/dbraw/zinc/01/10/95/1122011095.db2.gz GPESGVYYJAGTBW-UHFFFAOYSA-N -1 1 295.716 3.887 20 10 CHCDMM CC[N@@H+](CCC(F)(F)F)Cc1cc(Cl)cc(F)c1[O-] ZINC000775669097 1122882422 /nfs/dbraw/zinc/88/24/22/1122882422.db2.gz RRCOZHMHUDSLCM-UHFFFAOYSA-N -1 1 299.695 3.959 20 10 CHCDMM [O-]c1c(F)cc(F)cc1CNc1cccc2cnccc21 ZINC001199491082 1123031272 /nfs/dbraw/zinc/03/12/72/1123031272.db2.gz POJLMCXHTUXXRT-UHFFFAOYSA-N -1 1 286.281 3.831 20 10 CHCDMM [O-]c1c(F)cc(F)cc1CNc1ccc2ncccc2c1 ZINC001201151007 1123076012 /nfs/dbraw/zinc/07/60/12/1123076012.db2.gz RNHCZVSWTKUBIN-UHFFFAOYSA-N -1 1 286.281 3.831 20 10 CHCDMM Cc1cscc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001202335061 1123199614 /nfs/dbraw/zinc/19/96/14/1123199614.db2.gz INIDTUGNBNEKCB-UHFFFAOYSA-N -1 1 296.779 3.737 20 10 CHCDMM CN(C)c1cc(F)cc(NCc2cccc(Cl)c2[O-])c1 ZINC000864016682 1123910075 /nfs/dbraw/zinc/91/00/75/1123910075.db2.gz IZFDPXYJJIXGJE-UHFFFAOYSA-N -1 1 294.757 3.863 20 10 CHCDMM CC(C)c1nsc(NCc2cccc(Cl)c2[O-])n1 ZINC000897392030 1125288579 /nfs/dbraw/zinc/28/85/79/1125288579.db2.gz KJBOAQHFMVERBW-UHFFFAOYSA-N -1 1 283.784 3.633 20 10 CHCDMM CCCN(Cc1c([O-])cccc1Cl)CC(F)(F)F ZINC000132535250 1125418977 /nfs/dbraw/zinc/41/89/77/1125418977.db2.gz PNNZEVBJCWBYAM-UHFFFAOYSA-N -1 1 281.705 3.820 20 10 CHCDMM [O-]c1c(Cl)cccc1CN1CCOc2cc(F)ccc21 ZINC000789566916 1130260230 /nfs/dbraw/zinc/26/02/30/1130260230.db2.gz PRBIPQYATSBFEN-UHFFFAOYSA-N -1 1 293.725 3.584 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCc2cc(C)ccc21 ZINC001234474303 1130647352 /nfs/dbraw/zinc/64/73/52/1130647352.db2.gz QUWGKUHJCADJDU-QGZVFWFLSA-N -1 1 298.338 3.675 20 10 CHCDMM CCC[C@@H](C)[C@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234475016 1130648106 /nfs/dbraw/zinc/64/81/06/1130648106.db2.gz BVBYXKVSPFFWJL-BMIGLBTASA-N -1 1 280.364 3.894 20 10 CHCDMM CCC[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)C(C)(C)C ZINC001234473893 1130648124 /nfs/dbraw/zinc/64/81/24/1130648124.db2.gz LSVDJTMRHGOQCT-OAHLLOKOSA-N -1 1 280.364 3.894 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001234477587 1130648982 /nfs/dbraw/zinc/64/89/82/1130648982.db2.gz UOLYLZSGHMRZIA-IQMDTDKHSA-N -1 1 278.348 3.504 20 10 CHCDMM C[C@@]1(CF)CC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236794238 1131008462 /nfs/dbraw/zinc/00/84/62/1131008462.db2.gz QSZQIPXYZGQYCE-ZDUSSCGKSA-N -1 1 292.181 3.881 20 10 CHCDMM C[C@@H](NCC(C)(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815643582 1131014674 /nfs/dbraw/zinc/01/46/74/1131014674.db2.gz HCSCYBMCBGGSKD-SSDOTTSWSA-N -1 1 283.240 3.717 20 10 CHCDMM COc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816522882 1131107109 /nfs/dbraw/zinc/10/71/09/1131107109.db2.gz SRNLTEMNXMYJML-UHFFFAOYSA-N -1 1 281.714 3.805 20 10 CHCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc2c(c1)CCO2 ZINC000816552058 1131109773 /nfs/dbraw/zinc/10/97/73/1131109773.db2.gz ZMTQOAOIBYEOGK-UHFFFAOYSA-N -1 1 293.725 3.732 20 10 CHCDMM [O-]c1cc(F)c(Cl)cc1CNc1cccc2c1OCO2 ZINC000816567061 1131112612 /nfs/dbraw/zinc/11/26/12/1131112612.db2.gz PGOKAOAWBIHDRU-UHFFFAOYSA-N -1 1 295.697 3.526 20 10 CHCDMM CC(C)c1nc(CN(C)Cc2c([O-])cccc2F)cs1 ZINC001137839087 1131421315 /nfs/dbraw/zinc/42/13/15/1131421315.db2.gz QUBSVZQCJCLGPW-UHFFFAOYSA-N -1 1 294.395 3.743 20 10 CHCDMM CN(Cc1c([O-])cccc1F)[C@H](C1CCC1)C(F)(F)F ZINC001137839191 1131421687 /nfs/dbraw/zinc/42/16/87/1131421687.db2.gz VSZDJOAKLUOOIU-CYBMUJFWSA-N -1 1 291.288 3.694 20 10 CHCDMM [O-]c1cc(Cl)ccc1CN1CCC[C@H]1C(F)(F)F ZINC001140463284 1131749597 /nfs/dbraw/zinc/74/95/97/1131749597.db2.gz YPGRAYSPXCOTIF-NSHDSACASA-N -1 1 279.689 3.572 20 10 CHCDMM CCN(Cc1cccc(F)c1)Cc1c([O-])cc(F)cc1F ZINC001140584534 1131809895 /nfs/dbraw/zinc/80/98/95/1131809895.db2.gz VXQWUSLGHWKILO-UHFFFAOYSA-N -1 1 295.304 3.832 20 10 CHCDMM Cc1ccc2c(c1)CC[N@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142531385 1132404594 /nfs/dbraw/zinc/40/45/94/1132404594.db2.gz VQDSUCGVIAYJGX-UHFFFAOYSA-N -1 1 289.325 3.537 20 10 CHCDMM CN(Cc1ccc(F)c(F)c1[O-])Cc1ccccc1Cl ZINC001233076748 1132570249 /nfs/dbraw/zinc/57/02/49/1132570249.db2.gz FJPKLCHCDCKVNB-UHFFFAOYSA-N -1 1 297.732 3.956 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)CCC ZINC001233497219 1132628934 /nfs/dbraw/zinc/62/89/34/1132628934.db2.gz NYGRKVWNVHVYNY-SNVBAGLBSA-N -1 1 266.337 3.648 20 10 CHCDMM [O-]c1c(Cl)nccc1Nc1ccc2c(c1)CCCN2 ZINC001159314057 1132830229 /nfs/dbraw/zinc/83/02/29/1132830229.db2.gz OGUFCDYGCSTXDB-UHFFFAOYSA-N -1 1 275.739 3.542 20 10 CHCDMM C[N@@H+](Cc1cc(Cl)ccc1O)Cc1cccc(F)c1F ZINC001203664587 1133351674 /nfs/dbraw/zinc/35/16/74/1133351674.db2.gz LVUUSMBMEMHCJE-UHFFFAOYSA-N -1 1 297.732 3.956 20 10 CHCDMM CC[C@@H](N[C@@H](C)c1csnn1)c1cccc(Cl)c1[O-] ZINC000840886264 1132302340 /nfs/dbraw/zinc/30/23/40/1132302340.db2.gz UJWAUEFNCRETGK-GZMMTYOYSA-N -1 1 297.811 3.699 20 10 CHCDMM C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1c([O-])cccc1F ZINC000886611077 1125696739 /nfs/dbraw/zinc/69/67/39/1125696739.db2.gz RWHPDQDRHSIADM-JMCQJSRRSA-N -1 1 277.261 3.523 20 10 CHCDMM CC[C@H](C)C[C@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473144 1128194256 /nfs/dbraw/zinc/19/42/56/1128194256.db2.gz CKYOZNGUOAXCLP-JQWIXIFHSA-N -1 1 280.364 3.894 20 10 CHCDMM C[C@@H]1CSCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179663753 1128753824 /nfs/dbraw/zinc/75/38/24/1128753824.db2.gz MVMQSBLATFQPPP-MRVPVSSYSA-N -1 1 292.231 3.636 20 10 CHCDMM CC(C)c1ccoc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759702 1118076428 /nfs/dbraw/zinc/07/64/28/1118076428.db2.gz PBOCNJJHEVFQLX-UHFFFAOYSA-N -1 1 293.750 3.692 20 10 CHCDMM COCc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000774482744 1122168939 /nfs/dbraw/zinc/16/89/39/1122168939.db2.gz BVTHEKIHTIDQOV-JTQLQIEISA-N -1 1 293.313 3.990 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1cc2cc[nH]c2cn1 ZINC001182624846 1122178155 /nfs/dbraw/zinc/17/81/55/1122178155.db2.gz HHTOFIOLLJRCSA-UHFFFAOYSA-N -1 1 273.723 3.534 20 10 CHCDMM COc1ccc2c(c1)CCN2Cc1cccc(Cl)c1[O-] ZINC000775630465 1122836683 /nfs/dbraw/zinc/83/66/83/1122836683.db2.gz LMTFICYYRJIYPF-UHFFFAOYSA-N -1 1 289.762 3.617 20 10 CHCDMM Cc1cccnc1NCc1cc(Cl)cc(F)c1[O-] ZINC000776025402 1123040387 /nfs/dbraw/zinc/04/03/87/1123040387.db2.gz ZPIAYZGCFRCBJX-UHFFFAOYSA-N -1 1 266.703 3.500 20 10 CHCDMM CCOc1cccc(NCc2cc(Cl)cc(F)c2[O-])n1 ZINC000776250382 1123178866 /nfs/dbraw/zinc/17/88/66/1123178866.db2.gz HSHYMZFAEKUTBG-UHFFFAOYSA-N -1 1 296.729 3.591 20 10 CHCDMM CC(C)c1csc(CNCc2ccc(F)c(F)c2[O-])n1 ZINC000877107280 1125009515 /nfs/dbraw/zinc/00/95/15/1125009515.db2.gz BNLWWWSRSZQNIX-UHFFFAOYSA-N -1 1 298.358 3.540 20 10 CHCDMM CCCCn1ncc(NCc2cc(F)cc(F)c2[O-])c1C ZINC000883082449 1125370494 /nfs/dbraw/zinc/37/04/94/1125370494.db2.gz HBIFJSDQEFCENO-UHFFFAOYSA-N -1 1 295.333 3.588 20 10 CHCDMM [O-]c1c(F)cc(F)cc1CNc1cccnc1C1CC1 ZINC000902289407 1129997479 /nfs/dbraw/zinc/99/74/79/1129997479.db2.gz DFBVBJNRYBXUMK-UHFFFAOYSA-N -1 1 276.286 3.555 20 10 CHCDMM CC[C@H](N[C@H](C)c1ccc(F)cc1[O-])C(F)(F)F ZINC000786972650 1130123037 /nfs/dbraw/zinc/12/30/37/1130123037.db2.gz FLFUWARFLUOMAF-HQJQHLMTSA-N -1 1 265.250 3.523 20 10 CHCDMM CCC[C@H](C)[C@@H](CC)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234475019 1130647630 /nfs/dbraw/zinc/64/76/30/1130647630.db2.gz BVBYXKVSPFFWJL-ZUZCIYMTSA-N -1 1 280.364 3.894 20 10 CHCDMM Cc1ccc(CN(C)Cc2c([O-])ccc(F)c2Cl)cn1 ZINC001237127439 1131056620 /nfs/dbraw/zinc/05/66/20/1131056620.db2.gz AMUMCJFXJACARF-UHFFFAOYSA-N -1 1 294.757 3.520 20 10 CHCDMM C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC000816648789 1131120849 /nfs/dbraw/zinc/12/08/49/1131120849.db2.gz PHJFQKFNVVXCCE-YUMQZZPRSA-N -1 1 260.164 3.539 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CC[C@H](C)C1 ZINC001233497546 1132628556 /nfs/dbraw/zinc/62/85/56/1132628556.db2.gz ONDOXNWJTHWPBY-QWRGUYRKSA-N -1 1 278.348 3.648 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)CCC ZINC001233495938 1132629294 /nfs/dbraw/zinc/62/92/94/1132629294.db2.gz NYGRKVWNVHVYNY-JTQLQIEISA-N -1 1 266.337 3.648 20 10 CHCDMM C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccsc1 ZINC001159033616 1132803295 /nfs/dbraw/zinc/80/32/95/1132803295.db2.gz KOYLFRVBTFODCJ-SECBINFHSA-N -1 1 295.791 3.527 20 10 CHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC2(CCC2)C1 ZINC001203573733 1122233345 /nfs/dbraw/zinc/23/33/45/1122233345.db2.gz GMAGNSONRNNDDW-UHFFFAOYSA-N -1 1 272.175 3.685 20 10 CHCDMM C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1c([O-])cccc1F ZINC000886611080 1125696993 /nfs/dbraw/zinc/69/69/93/1125696993.db2.gz RWHPDQDRHSIADM-MADCSZMMSA-N -1 1 277.261 3.523 20 10 CHCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(Cl)cn1 ZINC000816586426 1131108052 /nfs/dbraw/zinc/10/80/52/1131108052.db2.gz HPQMFXYBBLFSHL-UHFFFAOYSA-N -1 1 287.121 3.845 20 10 CHCDMM [O-]c1c(F)cccc1CN1Cc2cccc(Cl)c2C1 ZINC000809770920 1127664294 /nfs/dbraw/zinc/66/42/94/1127664294.db2.gz AUMGUSNCAQXGFY-UHFFFAOYSA-N -1 1 277.726 3.701 20 10 CHCDMM C/C(=C\C(=O)NCc1cccc(Cl)c1[O-])C(C)(C)C ZINC000890760739 1118077107 /nfs/dbraw/zinc/07/71/07/1118077107.db2.gz YHDWPYUEXWOWGI-CSKARUKUSA-N -1 1 281.783 3.654 20 10 CHCDMM CCc1nc([C@H](C)NCc2ccc(F)c(F)c2[O-])cs1 ZINC000877045918 1125001221 /nfs/dbraw/zinc/00/12/21/1125001221.db2.gz GBEAHGYZROJHST-QMMMGPOBSA-N -1 1 298.358 3.540 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001234473066 1130647598 /nfs/dbraw/zinc/64/75/98/1130647598.db2.gz BAFUUPLPZFIQHR-HOSYDEDBSA-N -1 1 278.348 3.504 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCc2ccc(C)cc21 ZINC001234473120 1130647690 /nfs/dbraw/zinc/64/76/90/1130647690.db2.gz BXFPRLKILUFXJY-QGZVFWFLSA-N -1 1 298.338 3.675 20 10 CHCDMM CC[C@@H](NCC(C)(F)F)c1cccc(Cl)c1[O-] ZINC000815645085 1131015736 /nfs/dbraw/zinc/01/57/36/1131015736.db2.gz UVYUFTAQUIHYOZ-SNVBAGLBSA-N -1 1 263.715 3.742 20 10 CHCDMM C[C@H]1C[N@@H+](Cc2c(F)ccc(F)c2[O-])Cc2ccccc21 ZINC001139683412 1131116691 /nfs/dbraw/zinc/11/66/91/1131116691.db2.gz CWAORRYKIQBFNI-NSHDSACASA-N -1 1 289.325 3.790 20 10 CHCDMM CN(Cc1ccc(Cl)cc1)Cc1c([O-])c(F)ccc1F ZINC001139684173 1131119957 /nfs/dbraw/zinc/11/99/57/1131119957.db2.gz RNHBFNAGTPYPDN-UHFFFAOYSA-N -1 1 297.732 3.956 20 10 CHCDMM C[C@H]1c2cccn2CCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237949978 1131155527 /nfs/dbraw/zinc/15/55/27/1131155527.db2.gz PSUJRZJDOHDAHN-JTQLQIEISA-N -1 1 294.757 3.563 20 10 CHCDMM Cc1ccc(CN(C)Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139682776 1131627673 /nfs/dbraw/zinc/62/76/73/1131627673.db2.gz BXHBJLYRQSANQC-UHFFFAOYSA-N -1 1 277.314 3.611 20 10 CHCDMM Cc1cccc(CN(C)Cc2c(F)ccc(F)c2[O-])c1 ZINC001139685855 1131628884 /nfs/dbraw/zinc/62/88/84/1131628884.db2.gz ZBINIPMBCVOFEA-UHFFFAOYSA-N -1 1 277.314 3.611 20 10 CHCDMM [O-]c1c(CN2CC[C@@H]2c2ccccc2)ccc(F)c1F ZINC001233078004 1132570146 /nfs/dbraw/zinc/57/01/46/1132570146.db2.gz CFWLNTJGXFQTDV-CQSZACIVSA-N -1 1 275.298 3.617 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)CC(C)C ZINC001233495521 1132629518 /nfs/dbraw/zinc/62/95/18/1132629518.db2.gz HLRXWJBJKJCNRA-LLVKDONJSA-N -1 1 280.364 3.894 20 10 CHCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(Cl)nc1 ZINC000816564782 1131110879 /nfs/dbraw/zinc/11/08/79/1131110879.db2.gz PSQGBGMZNCKWED-UHFFFAOYSA-N -1 1 287.121 3.845 20 10 CHCDMM CC(=O)Nc1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000158040153 1127416208 /nfs/dbraw/zinc/41/62/08/1127416208.db2.gz MCQXWDYLLSGIEV-UHFFFAOYSA-N -1 1 290.750 3.616 20 10 CHCDMM C[C@H]1Cc2ccccc2CN1Cc1c(F)ccc(F)c1[O-] ZINC001139685992 1121079377 /nfs/dbraw/zinc/07/93/77/1121079377.db2.gz IRUZMIWWTDJRSD-NSHDSACASA-N -1 1 289.325 3.617 20 10 CHCDMM CCc1csc(NCc2cccc(Cl)c2[O-])n1 ZINC000897391931 1125288432 /nfs/dbraw/zinc/28/84/32/1125288432.db2.gz GDJRABPHBAJOSA-UHFFFAOYSA-N -1 1 268.769 3.677 20 10 CHCDMM C[C@H](N[C@@H](C)C(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000883400745 1125409170 /nfs/dbraw/zinc/40/91/70/1125409170.db2.gz UHXKZBKBBAFBFU-BQBZGAKWSA-N -1 1 283.240 3.715 20 10 CHCDMM CC[C@H]1CCCC[C@H]1Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474612 1130647330 /nfs/dbraw/zinc/64/73/30/1130647330.db2.gz UTBRTBNMXBQHPF-XHDPSFHLSA-N -1 1 278.348 3.648 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@@H](C)CC[C@H]1C ZINC001234473992 1130647607 /nfs/dbraw/zinc/64/76/07/1130647607.db2.gz MODHMNUOOIYPKQ-FEUHOPSXSA-N -1 1 278.348 3.504 20 10 CHCDMM Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCC2(CC2)C1 ZINC001236794798 1131008601 /nfs/dbraw/zinc/00/86/01/1131008601.db2.gz UWHXEWLJICPJAI-UHFFFAOYSA-N -1 1 272.175 3.685 20 10 CHCDMM [O-]c1c(F)ccc(F)c1CN1CC[C@@H]1c1ccccc1 ZINC001139685208 1131628563 /nfs/dbraw/zinc/62/85/63/1131628563.db2.gz AWXCJACDSYLETG-OAHLLOKOSA-N -1 1 275.298 3.617 20 10 CHCDMM CC[N@@H+](Cc1ccc([S-])cc1)Cc1ccccc1O ZINC001233261995 1132591085 /nfs/dbraw/zinc/59/10/85/1132591085.db2.gz MXCLOKDZQKVJFF-UHFFFAOYSA-N -1 1 273.401 3.703 20 10 CHCDMM [O-]c1cccc(Cl)c1CN1CCCC[C@H]1C(F)(F)F ZINC001140345711 1131704362 /nfs/dbraw/zinc/70/43/62/1131704362.db2.gz YIKWQETYHXGGMQ-LBPRGKRZSA-N -1 1 293.716 3.962 20 10 CHCDMM CN(Cc1ccccn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000757889995 1130505320 /nfs/dbraw/zinc/50/53/20/1130505320.db2.gz NLEVQEMOZZKMRB-UHFFFAOYSA-N -1 1 297.185 3.726 20 10 CHCDMM CC(C)(C)c1ccc(C=C2SC(=S)[N-]C2=O)s1 ZINC000178985296 1126821806 /nfs/dbraw/zinc/82/18/06/1126821806.db2.gz ABZVTPSKZYZYGC-VURMDHGXSA-N -1 1 283.443 3.534 20 10 CHCDMM CCc1nn(C)cc1N[C@H](CC)c1cccc(Cl)c1[O-] ZINC000287838024 1127314599 /nfs/dbraw/zinc/31/45/99/1127314599.db2.gz WACDXQBCLSOYFL-GFCCVEGCSA-N -1 1 293.798 3.905 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1cnn(C2CCCC2)c1 ZINC000722377539 1121009935 /nfs/dbraw/zinc/00/99/35/1121009935.db2.gz VHKRGTFDGMGIDX-UHFFFAOYSA-N -1 1 291.782 3.969 20 10 CHCDMM COc1ccc(C)nc1NCc1cc(Cl)cc(F)c1[O-] ZINC001178104447 1121764991 /nfs/dbraw/zinc/76/49/91/1121764991.db2.gz SBQHCFNJTPQUCX-UHFFFAOYSA-N -1 1 296.729 3.509 20 10 CHCDMM CC(C)(C)CC(C)(C)NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193236915 1122682138 /nfs/dbraw/zinc/68/21/38/1122682138.db2.gz UAQLURJZQVSVGW-UHFFFAOYSA-N -1 1 299.798 3.696 20 10 CHCDMM O=[N+]([O-])c1ccccc1NCc1cccc(Cl)c1[O-] ZINC000158707039 1122693201 /nfs/dbraw/zinc/69/32/01/1122693201.db2.gz OQINSEDBDVVATE-UHFFFAOYSA-N -1 1 278.695 3.566 20 10 CHCDMM COc1ccc(C)cc1NCc1cccc(Cl)c1[O-] ZINC000124631272 1124800514 /nfs/dbraw/zinc/80/05/14/1124800514.db2.gz ZCIYVUYOVNNSIP-UHFFFAOYSA-N -1 1 277.751 3.975 20 10 CHCDMM CCOc1cccc(NCc2c([O-])ccc(Cl)c2F)n1 ZINC000790240501 1130300548 /nfs/dbraw/zinc/30/05/48/1130300548.db2.gz GVNPVQLFWFFGMM-UHFFFAOYSA-N -1 1 296.729 3.591 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001234477573 1130648754 /nfs/dbraw/zinc/64/87/54/1130648754.db2.gz UOLYLZSGHMRZIA-AMJWSMQMSA-N -1 1 278.348 3.504 20 10 CHCDMM C[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C[C@H]1F ZINC001237078080 1131046626 /nfs/dbraw/zinc/04/66/26/1131046626.db2.gz NKJANEYJCNVGEP-LDYMZIIASA-N -1 1 292.181 3.879 20 10 CHCDMM COc1ccc(N(C)Cc2cccc([O-])c2Cl)cc1F ZINC000816566177 1131111667 /nfs/dbraw/zinc/11/16/67/1131111667.db2.gz NGSHUHZWMCSHBZ-UHFFFAOYSA-N -1 1 295.741 3.830 20 10 CHCDMM [O-]c1cc(Cl)c(F)cc1CN1Cc2ccccc2C1 ZINC001237942835 1131152753 /nfs/dbraw/zinc/15/27/53/1131152753.db2.gz DLTHUSCPQBFPDX-UHFFFAOYSA-N -1 1 277.726 3.701 20 10 CHCDMM CN(Cc1cccc(Cl)c1)Cc1c([O-])c(F)ccc1F ZINC001139685450 1131629066 /nfs/dbraw/zinc/62/90/66/1131629066.db2.gz YRSJVMSOMISXHN-UHFFFAOYSA-N -1 1 297.732 3.956 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001233498925 1132629124 /nfs/dbraw/zinc/62/91/24/1132629124.db2.gz XBZGOVZVCXGRFO-LYOVBCGYSA-N -1 1 290.359 3.648 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)C1CCC1 ZINC001233498834 1132629622 /nfs/dbraw/zinc/62/96/22/1132629622.db2.gz WHSULGPXLCPZGL-SNVBAGLBSA-N -1 1 278.348 3.648 20 10 CHCDMM CCN(Cc1cc(Cl)c(F)cc1[O-])c1cccc(O)c1 ZINC001206663777 1132759563 /nfs/dbraw/zinc/75/95/63/1132759563.db2.gz HIUYJVBHDNITEI-UHFFFAOYSA-N -1 1 295.741 3.917 20 10 CHCDMM COc1ccc(NCc2cccc(Cl)c2[O-])c(F)c1 ZINC000864042590 1123912967 /nfs/dbraw/zinc/91/29/67/1123912967.db2.gz URWWIPQLFJXAJB-UHFFFAOYSA-N -1 1 281.714 3.805 20 10 CHCDMM CCN(Cc1c([O-])ccc(F)c1Cl)CC(F)(F)F ZINC001237130237 1131055744 /nfs/dbraw/zinc/05/57/44/1131055744.db2.gz LOPSRPFNTZKJLI-UHFFFAOYSA-N -1 1 285.668 3.569 20 10 CHCDMM COc1ccc(NCc2cccc(Cl)c2[O-])c(OC)c1 ZINC000158036727 1127415869 /nfs/dbraw/zinc/41/58/69/1127415869.db2.gz GCQZNYIOVNXFSQ-UHFFFAOYSA-N -1 1 293.750 3.675 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1ccccc1-n1cccn1 ZINC000158050183 1127416051 /nfs/dbraw/zinc/41/60/51/1127416051.db2.gz GTPYLGHTJICATO-UHFFFAOYSA-N -1 1 299.761 3.843 20 10 CHCDMM O=C1[N-]C(=S)S/C1=C/c1c(Cl)oc2ccccc12 ZINC000761181886 1127506930 /nfs/dbraw/zinc/50/69/30/1127506930.db2.gz SNMKJVYBKOKAGX-WEVVVXLNSA-N -1 1 295.772 3.575 20 10 CHCDMM CC(C)c1nc(CNCc2cccc(Cl)c2[O-])cs1 ZINC000705562093 1118005950 /nfs/dbraw/zinc/00/59/50/1118005950.db2.gz JBDLRXAHAQPGHG-UHFFFAOYSA-N -1 1 296.823 3.915 20 10 CHCDMM Cc1cc2cc(C=C3SC(=S)[N-]C3=O)oc2cc1C ZINC000255165326 1118356337 /nfs/dbraw/zinc/35/63/37/1118356337.db2.gz LHMZZRCKFNVTGK-SDQBBNPISA-N -1 1 289.381 3.538 20 10 CHCDMM [O-]c1cc(F)cc(F)c1CN1CC[C@H]1c1ccccc1 ZINC001140583401 1119151739 /nfs/dbraw/zinc/15/17/39/1119151739.db2.gz FFTWVXNLMWOGGW-HNNXBMFYSA-N -1 1 275.298 3.617 20 10 CHCDMM CC(C)c1nn(C)cc1NCc1c([O-])ccc(Cl)c1F ZINC000795595809 1129379180 /nfs/dbraw/zinc/37/91/80/1129379180.db2.gz VJEQEEIDLRMJTL-UHFFFAOYSA-N -1 1 297.761 3.654 20 10 CHCDMM CCc1cnc(NCc2c([O-])ccc(Cl)c2F)s1 ZINC000790240578 1130300419 /nfs/dbraw/zinc/30/04/19/1130300419.db2.gz ILPYVRMHADOZNN-UHFFFAOYSA-N -1 1 286.759 3.816 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1ccc(F)cc1 ZINC001234474590 1130647411 /nfs/dbraw/zinc/64/74/11/1130647411.db2.gz UKXKXMJHMGROJP-SNVBAGLBSA-N -1 1 290.290 3.580 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1cccs1 ZINC001234473367 1130647789 /nfs/dbraw/zinc/64/77/89/1130647789.db2.gz FNLNBXWHKLBRCX-SECBINFHSA-N -1 1 278.329 3.502 20 10 CHCDMM CC1=CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000798090658 1131024658 /nfs/dbraw/zinc/02/46/58/1131024658.db2.gz WGFUGCBGVSUDTM-UHFFFAOYSA-N -1 1 272.175 3.851 20 10 CHCDMM C[C@@H]1C[C@@H](F)CN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237077620 1131045939 /nfs/dbraw/zinc/04/59/39/1131045939.db2.gz IVQWSQCHFXXLAF-HTQZYQBOSA-N -1 1 278.154 3.631 20 10 CHCDMM [O-]c1ccc(Cl)c(Cl)c1CN1Cc2ccncc2C1 ZINC001237080449 1131047761 /nfs/dbraw/zinc/04/77/61/1131047761.db2.gz CXJQHIJPCXRYIJ-UHFFFAOYSA-N -1 1 295.169 3.610 20 10 CHCDMM CN(Cc1c([O-])ccc(Cl)c1Cl)CC(F)(F)F ZINC001237078075 1131047786 /nfs/dbraw/zinc/04/77/86/1131047786.db2.gz NEZPEMBJPMVSOQ-UHFFFAOYSA-N -1 1 288.096 3.693 20 10 CHCDMM COc1cc(F)ccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816521908 1131107123 /nfs/dbraw/zinc/10/71/23/1131107123.db2.gz CHOHNQFJGQMBHT-UHFFFAOYSA-N -1 1 299.704 3.945 20 10 CHCDMM C[C@@H]1c2cccn2CCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237949979 1131155635 /nfs/dbraw/zinc/15/56/35/1131155635.db2.gz PSUJRZJDOHDAHN-SNVBAGLBSA-N -1 1 294.757 3.563 20 10 CHCDMM CCN(Cc1ccc(F)cc1)Cc1c(F)ccc(F)c1[O-] ZINC001139686333 1131629093 /nfs/dbraw/zinc/62/90/93/1131629093.db2.gz USLSZBFCTAYFPC-UHFFFAOYSA-N -1 1 295.304 3.832 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCC[C@@H]1C ZINC001233494259 1132627697 /nfs/dbraw/zinc/62/76/97/1132627697.db2.gz DNZKNXIZDOYWND-ZUZCIYMTSA-N -1 1 278.348 3.648 20 10 CHCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCC[C@H]1F ZINC001233495646 1132629503 /nfs/dbraw/zinc/62/95/03/1132629503.db2.gz JABMDVYUWLZKHD-IAQYHMDHSA-N -1 1 296.338 3.740 20 10 CHCDMM CCn1nc(C)c(NCc2cc(Cl)cc(F)c2[O-])c1C ZINC000777503551 1128095055 /nfs/dbraw/zinc/09/50/55/1128095055.db2.gz ZJVFRLFMAARNGG-UHFFFAOYSA-N -1 1 297.761 3.630 20 10 CHCDMM CC1(C(=O)NCc2cccc(Cl)c2[O-])CCCCC1 ZINC000890759081 1118076720 /nfs/dbraw/zinc/07/67/20/1118076720.db2.gz BQZAEAMREGSSKZ-UHFFFAOYSA-N -1 1 281.783 3.632 20 10 CHCDMM Oc1cc(Cl)ccc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC001140465628 1118743011 /nfs/dbraw/zinc/74/30/11/1118743011.db2.gz OQBZERLYBRTLNN-UHFFFAOYSA-N -1 1 291.753 3.743 20 10 CHCDMM Cc1c(Cl)cc(Nc2ccncc2F)c([O-])c1Cl ZINC001175202184 1121206589 /nfs/dbraw/zinc/20/65/89/1121206589.db2.gz PRFLGWDEXHPDKO-UHFFFAOYSA-N -1 1 287.121 3.707 20 10 CHCDMM Cc1cc2c(cc1C)N(Cc1cc(F)cc(F)c1[O-])CC2 ZINC001181676077 1122071798 /nfs/dbraw/zinc/07/17/98/1122071798.db2.gz VSUPDUGAPPMACW-UHFFFAOYSA-N -1 1 289.325 3.850 20 10 CHCDMM CN(Cc1ccccc1F)Cc1cc(Cl)cc(F)c1[O-] ZINC000775642944 1122851061 /nfs/dbraw/zinc/85/10/61/1122851061.db2.gz QADFLZHNZDWXSL-UHFFFAOYSA-N -1 1 297.732 3.956 20 10 CHCDMM C[C@H](Nc1cccc2c1CCO2)c1cc(F)cc(F)c1[O-] ZINC000794836365 1123972274 /nfs/dbraw/zinc/97/22/74/1123972274.db2.gz NSHSAIUGCGYQLG-VIFPVBQESA-N -1 1 291.297 3.778 20 10 CHCDMM [O-]c1c(Cl)cccc1CNc1cnc2c(c1)CCCC2 ZINC000783596746 1124005549 /nfs/dbraw/zinc/00/55/49/1124005549.db2.gz GMBMZMYTKXXFBR-UHFFFAOYSA-N -1 1 288.778 3.932 20 10 CHCDMM CC(C)[C@H](N[C@H](C)c1ccc(F)cc1[O-])C(F)(F)F ZINC000786982034 1130124480 /nfs/dbraw/zinc/12/44/80/1130124480.db2.gz KQTIMOOXIDUDAC-PELKAZGASA-N -1 1 279.277 3.769 20 10 CHCDMM C[C@@H](NCc1ccon1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756638947 1130432967 /nfs/dbraw/zinc/43/29/67/1130432967.db2.gz XJDIVBWQYYDXGB-SSDOTTSWSA-N -1 1 287.146 3.538 20 10 CHCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1ccc(F)cc1 ZINC001234474588 1130647504 /nfs/dbraw/zinc/64/75/04/1130647504.db2.gz UKXKXMJHMGROJP-JTQLQIEISA-N -1 1 290.290 3.580 20 10 CHCDMM Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])c(C)n1 ZINC000816558262 1131111641 /nfs/dbraw/zinc/11/16/41/1131111641.db2.gz SIBUNCFHSHLYOU-UHFFFAOYSA-N -1 1 280.730 3.809 20 10 CHCDMM C[C@]1(CF)CC(F)(F)CN1Cc1c([O-])cccc1Cl ZINC001140337883 1131702175 /nfs/dbraw/zinc/70/21/75/1131702175.db2.gz LHNVCZRCUHPANX-GFCCVEGCSA-N -1 1 293.716 3.615 20 10 CHCDMM CN(Cc1ccccc1Cl)Cc1c([O-])ccc(F)c1F ZINC001233334505 1132603303 /nfs/dbraw/zinc/60/33/03/1132603303.db2.gz JWZKWIZBARDPNS-UHFFFAOYSA-N -1 1 297.732 3.956 20 10 CHCDMM CCN(Cc1ccccc1F)Cc1c([O-])ccc(F)c1F ZINC001233335129 1132604978 /nfs/dbraw/zinc/60/49/78/1132604978.db2.gz IKQCGVCEIDNSCJ-UHFFFAOYSA-N -1 1 295.304 3.832 20 10 CHCDMM CCOc1ccccc1N(C)Cc1cc(F)cc(F)c1[O-] ZINC001205411936 1133574754 /nfs/dbraw/zinc/57/47/54/1133574754.db2.gz SMZDAYGIALYOSW-UHFFFAOYSA-N -1 1 293.313 3.706 20 10 CHCDMM