smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C[C@]1([NH2+]Cc2cc(F)c(F)cc2O)CCOC1 ZINC001608688125 1164605168 /nfs/dbraw/zinc/60/51/68/1164605168.db2.gz ZEXJEEJMGWAWIY-CYBMUJFWSA-N 0 1 287.262 1.394 20 10 CDCDMN O=C([O-])CC[N@@H+](Cc1cccc(F)c1O)C[C@H]1CCCO1 ZINC001608722306 1164620184 /nfs/dbraw/zinc/62/01/84/1164620184.db2.gz OBIHPSLPRMGYDP-GFCCVEGCSA-N 0 1 297.326 1.987 20 10 CDCDMN O=C([O-])CC[N@H+](Cc1cccc(F)c1O)C[C@H]1CCCO1 ZINC001608722306 1164620187 /nfs/dbraw/zinc/62/01/87/1164620187.db2.gz OBIHPSLPRMGYDP-GFCCVEGCSA-N 0 1 297.326 1.987 20 10 CDCDMN NC(=O)C1C[NH+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237621837 1167397298 /nfs/dbraw/zinc/39/72/98/1167397298.db2.gz GFVKOWNFXFJADP-UHFFFAOYSA-N 0 1 258.680 1.102 20 10 CDCDMN Nc1cncc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1 ZINC001174732376 913309835 /nfs/dbraw/zinc/30/98/35/913309835.db2.gz FUMCUKFGOLUMBB-UHFFFAOYSA-N 0 1 283.284 1.309 20 10 CDCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCc2nncn2CC1 ZINC001140337778 895817350 /nfs/dbraw/zinc/81/73/50/895817350.db2.gz DRPOHPKCCDQFQF-UHFFFAOYSA-N 0 1 278.743 1.695 20 10 CDCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCc2nncn2CC1 ZINC001140337778 895817360 /nfs/dbraw/zinc/81/73/60/895817360.db2.gz DRPOHPKCCDQFQF-UHFFFAOYSA-N 0 1 278.743 1.695 20 10 CDCDMN [NH3+][C@]12C[C@H]1CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001236022680 914552832 /nfs/dbraw/zinc/55/28/32/914552832.db2.gz AMOIVBDXNKULGH-UFBFGSQYSA-N 0 1 254.717 1.284 20 10 CDCDMN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142508918 908833128 /nfs/dbraw/zinc/83/31/28/908833128.db2.gz PTGBJIVODQCIME-BDAKNGLRSA-N 0 1 257.280 1.873 20 10 CDCDMN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN2CC[C@H]2C1 ZINC001179687057 915927209 /nfs/dbraw/zinc/92/72/09/915927209.db2.gz MBKXMEZUTAPOSW-KMOQFTEPSA-N 0 1 274.320 1.028 20 10 CDCDMN Cc1cc(Cl)cc(CN2CCOC[C@@](C)(O)C2)c1O ZINC001237682116 917550361 /nfs/dbraw/zinc/55/03/61/917550361.db2.gz ZDCIYVBPHSUHFW-AWEZNQCLSA-N 0 1 285.771 1.937 20 10 CDCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001237808628 917630728 /nfs/dbraw/zinc/63/07/28/917630728.db2.gz VBYZNDRYBOMYFI-PRHODGIISA-N 0 1 289.734 1.360 20 10 CDCDMN COc1cc(CN2C[C@H](O)C[C@H]2C)cc(O)c1O ZINC001204341921 917879157 /nfs/dbraw/zinc/87/91/57/917879157.db2.gz IUNLXUHPBBOKJY-PSASIEDQSA-N 0 1 253.298 1.062 20 10 CDCDMN CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138130525 936475635 /nfs/dbraw/zinc/47/56/35/936475635.db2.gz BXFUZHRFXJMIJI-GFCCVEGCSA-N 0 1 266.316 1.584 20 10 CDCDMN CN1CCCc2cc(CN3CCC[C@H]3C(N)=O)ccc21 ZINC001138354053 936525050 /nfs/dbraw/zinc/52/50/50/936525050.db2.gz SSBGYXAGQSRVSE-HNNXBMFYSA-N 0 1 273.380 1.519 20 10 CDCDMN Cc1ccc(C)c(CN2CC[C@@H](O)[C@@H](F)C2)c1O ZINC001140178683 936684341 /nfs/dbraw/zinc/68/43/41/936684341.db2.gz UNZWRGFDAWFEPR-QWHCGFSZSA-N 0 1 253.317 1.914 20 10 CDCDMN Oc1cc(F)cc(F)c1CN1CC[C@H](O)C(F)(F)C1 ZINC001140583485 936727986 /nfs/dbraw/zinc/72/79/86/936727986.db2.gz ITDRDOCSYYXCPF-NSHDSACASA-N 0 1 279.233 1.872 20 10 CDCDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001137838483 923020654 /nfs/dbraw/zinc/02/06/54/923020654.db2.gz BMCARUJUKCAFAR-NSHDSACASA-N 0 1 276.315 1.960 20 10 CDCDMN Oc1ccc(O)c(CN2CCCC3(C2)OCCO3)c1 ZINC001141161000 936823212 /nfs/dbraw/zinc/82/32/12/936823212.db2.gz MNVQPPAXZCMAGS-UHFFFAOYSA-N 0 1 265.309 1.437 20 10 CDCDMN C[C@H]1COCC[C@@H]1NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193634600 923822208 /nfs/dbraw/zinc/82/22/08/923822208.db2.gz YTHDBVZOOQQSCI-XVKPBYJWSA-N 0 1 285.727 1.906 20 10 CDCDMN C[C@@]1(CO)CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C[C@H]1O ZINC001142508727 937024667 /nfs/dbraw/zinc/02/46/67/937024667.db2.gz JOXZWIPFEXZZCC-KGLIPLIRSA-N 0 1 287.306 1.236 20 10 CDCDMN CC(=O)NCC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000843427458 937148051 /nfs/dbraw/zinc/14/80/51/937148051.db2.gz BTISDVRWKRPYNT-UHFFFAOYSA-N 0 1 274.723 1.753 20 10 CDCDMN Oc1ccc(CNc2ncc3nc[nH]c3n2)cc1O ZINC001169993430 928878846 /nfs/dbraw/zinc/87/88/46/928878846.db2.gz OPNVGUAUYYXGIM-UHFFFAOYSA-N 0 1 257.253 1.328 20 10 CDCDMN CNC(=O)CC[N@@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139682930 937400005 /nfs/dbraw/zinc/40/00/05/937400005.db2.gz FQGVCCIUOALJDQ-UHFFFAOYSA-N 0 1 258.268 1.238 20 10 CDCDMN Oc1ccc(CN2CC3(CN(Cc4ccc[nH]4)C3)C2)c(O)c1 ZINC001275952551 932163245 /nfs/dbraw/zinc/16/32/45/932163245.db2.gz HJRGPTOFNVCHTP-UHFFFAOYSA-N 0 1 299.374 1.744 20 10 CDCDMN COc1ccc(CN2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC001203621220 939697040 /nfs/dbraw/zinc/69/70/40/939697040.db2.gz PTJPSUPYYJBYEW-CQSZACIVSA-N 0 1 292.379 1.307 20 10 CDCDMN [NH3+][C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])C[C@H]1F ZINC001204836947 939796984 /nfs/dbraw/zinc/79/69/84/939796984.db2.gz NRSSFTHRGCHQRE-ZJUUUORDSA-N 0 1 278.249 1.892 20 10 CDCDMN CCN(CC)c1ccc(CN2CC3(C[C@@H]3C(N)=O)C2)cc1 ZINC001276958286 941731668 /nfs/dbraw/zinc/73/16/68/941731668.db2.gz IPWGQVVAHAMTEN-OAHLLOKOSA-N 0 1 287.407 1.840 20 10 CDCDMN CN(C)c1ccc(CN2CCc3c(n[nH]c3C(N)=O)C2)cc1 ZINC001276959002 941734767 /nfs/dbraw/zinc/73/47/67/941734767.db2.gz YDLLPHUSXMTYOE-UHFFFAOYSA-N 0 1 299.378 1.133 20 10 CDCDMN NC(=O)[C@H]1CC12CN(Cc1cc(Cl)ccc1O)C2 ZINC001277458854 942633300 /nfs/dbraw/zinc/63/33/00/942633300.db2.gz XMXSHUSIKKNKLG-SNVBAGLBSA-N 0 1 266.728 1.353 20 10 CDCDMN CC[NH+]1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231446472 942891582 /nfs/dbraw/zinc/89/15/82/942891582.db2.gz JJPKLEXFMUERED-UHFFFAOYSA-N 0 1 264.325 1.228 20 10 CDCDMN CN1CCC([N@@H+](C)Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231559316 942926793 /nfs/dbraw/zinc/92/67/93/942926793.db2.gz AEORBKYCUGMJCT-UHFFFAOYSA-N 0 1 278.352 1.616 20 10 CDCDMN Cc1cc(O)c(CN2CCOC[C@](C)(O)C2)cc1Cl ZINC001231866770 943037211 /nfs/dbraw/zinc/03/72/11/943037211.db2.gz DRRDELLVPRTLFV-CQSZACIVSA-N 0 1 285.771 1.937 20 10 CDCDMN [O-]c1c(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)ccc2ccccc21 ZINC001231879859 943037871 /nfs/dbraw/zinc/03/78/71/943037871.db2.gz SGUJTWMXISRTSU-HOCLYGCPSA-N 0 1 287.359 1.721 20 10 CDCDMN [O-]c1c(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)ccc2ccccc21 ZINC001231879859 943037879 /nfs/dbraw/zinc/03/78/79/943037879.db2.gz SGUJTWMXISRTSU-HOCLYGCPSA-N 0 1 287.359 1.721 20 10 CDCDMN C[N@@H+](C1CN(Cc2cccc(Cl)c2[O-])C1)[C@@H]1CCOC1 ZINC001231912719 943052504 /nfs/dbraw/zinc/05/25/04/943052504.db2.gz UKKDXCCTWUEMGM-GFCCVEGCSA-N 0 1 296.798 1.951 20 10 CDCDMN CC(=O)OC1CN(Cc2ccc(F)c(F)c2O)C1 ZINC001233077581 943486887 /nfs/dbraw/zinc/48/68/87/943486887.db2.gz SPZNIYFRMHQALU-UHFFFAOYSA-N 0 1 257.236 1.418 20 10 CDCDMN C[NH+](C)C1(C)CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335388 943547692 /nfs/dbraw/zinc/54/76/92/943547692.db2.gz SQBANIFEBIKUDV-UHFFFAOYSA-N 0 1 256.296 1.806 20 10 CDCDMN Oc1cc(O)c(CN2CCC[C@@H](n3cncn3)C2)cc1O ZINC001233485802 943594522 /nfs/dbraw/zinc/59/45/22/943594522.db2.gz LCJZSMCWIGYHPH-LLVKDONJSA-N 0 1 290.323 1.232 20 10 CDCDMN COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c([O-])c1Cl ZINC001236804055 944573240 /nfs/dbraw/zinc/57/32/40/944573240.db2.gz WXSKAAZQBTWIMW-WPRPVWTQSA-N 0 1 271.744 1.867 20 10 CDCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC001236801900 944573911 /nfs/dbraw/zinc/57/39/11/944573911.db2.gz DTQLCGLEZZSBEW-MRVPVSSYSA-N 0 1 284.743 1.361 20 10 CDCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC001236801900 944573905 /nfs/dbraw/zinc/57/39/05/944573905.db2.gz DTQLCGLEZZSBEW-MRVPVSSYSA-N 0 1 284.743 1.361 20 10 CDCDMN CN(Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC1 ZINC001237201816 944691149 /nfs/dbraw/zinc/69/11/49/944691149.db2.gz BUCWCHIRYWYXNJ-UHFFFAOYSA-N 0 1 294.420 1.516 20 10 CDCDMN CNC(=O)C[N@H+](C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237804792 944959127 /nfs/dbraw/zinc/95/91/27/944959127.db2.gz GQKXNKGGTIEVSM-UHFFFAOYSA-N 0 1 260.696 1.363 20 10 CDCDMN CNC(=O)C[N@@H+](C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237804792 944959129 /nfs/dbraw/zinc/95/91/29/944959129.db2.gz GQKXNKGGTIEVSM-UHFFFAOYSA-N 0 1 260.696 1.363 20 10 CDCDMN COC(=O)Cc1ccc(CN2CCCC(=O)CC2)c(O)c1 ZINC001249179006 949440981 /nfs/dbraw/zinc/44/09/81/949440981.db2.gz YCHKWMIMLUWQGJ-UHFFFAOYSA-N 0 1 291.347 1.663 20 10 CDCDMN COC(=O)N1CC([NH2+]Cc2ccc(Cl)cc2[O-])C1 ZINC001308704717 956562651 /nfs/dbraw/zinc/56/26/51/956562651.db2.gz PKIFKCBVIJQPLX-UHFFFAOYSA-N 0 1 270.716 1.586 20 10 CDCDMN COc1c(O)c(C[N@H+]2CCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594048557 957958915 /nfs/dbraw/zinc/95/89/15/957958915.db2.gz SOWIGVJJTFRGSE-SNVBAGLBSA-N 0 1 296.279 1.358 20 10 CDCDMN CCOc1cccc(C[N@@H+](CC)CC(=O)[O-])c1O ZINC000086775151 957986311 /nfs/dbraw/zinc/98/63/11/957986311.db2.gz AAHWBRYRUDMIKN-UHFFFAOYSA-N 0 1 253.298 1.697 20 10 CDCDMN NCc1nccnc1NCc1ccc(N2CCOCC2)cc1 ZINC001336476957 960362412 /nfs/dbraw/zinc/36/24/12/960362412.db2.gz NRFUEPIPRDJUKR-UHFFFAOYSA-N 0 1 299.378 1.384 20 10 CDCDMN CCOC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC001596885469 985788755 /nfs/dbraw/zinc/78/87/55/985788755.db2.gz YLMYSXGUVZNSDK-HNNXBMFYSA-N 0 1 294.395 1.983 20 10 CDCDMN CC[N@@H+](C)C[C@@H](O)CSc1ncc(C(=O)[O-])s1 ZINC001605407520 1163555564 /nfs/dbraw/zinc/55/55/64/1163555564.db2.gz CEZQPCPBRBDYQW-SSDOTTSWSA-N 0 1 276.383 1.246 20 10 CDCDMN COc1cc(O)c(C[N@H+]2CC[C@H]([C@H](C)O)C2)cc1OC ZINC000180865329 357291779 /nfs/dbraw/zinc/29/17/79/357291779.db2.gz SJOGUTFUZKKDHW-QWRGUYRKSA-N 0 1 281.352 1.612 20 10 CDCDMN Oc1cccc(Cl)c1CN1CCOC[C@H](O)C1 ZINC000294823772 199199829 /nfs/dbraw/zinc/19/98/29/199199829.db2.gz PDMSXMYKBUIBGH-SECBINFHSA-N 0 1 257.717 1.239 20 10 CDCDMN Nc1ccc(CCNC(=O)c2[nH]nc3c2CCC3)cc1 ZINC000237965306 361497551 /nfs/dbraw/zinc/49/75/51/361497551.db2.gz SSPSYUNZGMRVCL-UHFFFAOYSA-N 0 1 270.336 1.453 20 10 CDCDMN Cc1nc2n(n1)CCN(Cc1cccc(Cl)c1O)C2 ZINC000271881462 365003182 /nfs/dbraw/zinc/00/31/82/365003182.db2.gz VICCYVOFLCGRLN-UHFFFAOYSA-N 0 1 278.743 1.961 20 10 CDCDMN COc1ccc2nc(SCC(=O)C(C)=O)[nH]c2c1 ZINC000288317036 369431215 /nfs/dbraw/zinc/43/12/15/369431215.db2.gz CXEOGLAHVYLMHP-UHFFFAOYSA-N 0 1 264.306 1.822 20 10 CDCDMN Cc1cc(CN2CCN3C(=O)NC[C@H]3C2)ccc1N(C)C ZINC000292882376 370429631 /nfs/dbraw/zinc/42/96/31/370429631.db2.gz UGMIEFRCQCYMGK-AWEZNQCLSA-N 0 1 288.395 1.270 20 10 CDCDMN CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000294819498 371093483 /nfs/dbraw/zinc/09/34/83/371093483.db2.gz GOUCDIPPWYHJCG-JTQLQIEISA-N 0 1 296.342 1.841 20 10 CDCDMN CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000294819498 371093488 /nfs/dbraw/zinc/09/34/88/371093488.db2.gz GOUCDIPPWYHJCG-JTQLQIEISA-N 0 1 296.342 1.841 20 10 CDCDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Cl)OCCO ZINC000288438455 264666487 /nfs/dbraw/zinc/66/64/87/264666487.db2.gz LQQFEUVJQRCMBX-UHFFFAOYSA-N 0 1 273.760 1.923 20 10 CDCDMN COc1ccc(O)c(CN2C[C@H](F)C[C@H]2CO)c1 ZINC000368883234 267210000 /nfs/dbraw/zinc/21/00/00/267210000.db2.gz XZIBNAZWPCTVMK-MNOVXSKESA-N 0 1 255.289 1.306 20 10 CDCDMN Cc1nc(CC[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])n[nH]1 ZINC000276935354 328220249 /nfs/dbraw/zinc/22/02/49/328220249.db2.gz OUPXSLPVGJONKE-SSDOTTSWSA-N 0 1 282.294 1.990 20 10 CDCDMN Cc1nnc(CC[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])[nH]1 ZINC000276935354 328220250 /nfs/dbraw/zinc/22/02/50/328220250.db2.gz OUPXSLPVGJONKE-SSDOTTSWSA-N 0 1 282.294 1.990 20 10 CDCDMN CCOc1cccc(C[N@@H+](C)C[C@H](C)C(=O)NC)c1O ZINC000093899056 327146208 /nfs/dbraw/zinc/14/62/08/327146208.db2.gz GTIUKELDIZMDGV-NSHDSACASA-N 0 1 280.368 1.605 20 10 CDCDMN C[C@@H](CS(C)(=O)=O)NCc1ccc2c(c1)CCO2 ZINC000078639452 330327025 /nfs/dbraw/zinc/32/70/25/330327025.db2.gz SKDJAGMTUSKYNM-JTQLQIEISA-N 0 1 269.366 1.144 20 10 CDCDMN CC(=O)c1cc(F)cc(CN2CCC[C@H]2CO)c1O ZINC000050150221 518284964 /nfs/dbraw/zinc/28/49/64/518284964.db2.gz RWIRDVNQNHDTJQ-LBPRGKRZSA-N 0 1 267.300 1.691 20 10 CDCDMN COc1cc(N(C)C)ccc1CN1CC2(CN(C)C2)C1 ZINC001231856478 1161015403 /nfs/dbraw/zinc/01/54/03/1161015403.db2.gz NCRQFXNCGCFFON-UHFFFAOYSA-N 0 1 275.396 1.509 20 10 CDCDMN C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cc(Cl)ccc1[O-] ZINC000756660211 576998958 /nfs/dbraw/zinc/99/89/58/576998958.db2.gz LARWDZCIAHZMJK-JGVFFNPUSA-N 0 1 256.733 1.960 20 10 CDCDMN COCC[C@H]1COCCN1Cc1ccc(N(C)C)cc1 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CC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(F)c(F)c1[O-] ZINC001233079645 943486761 /nfs/dbraw/zinc/48/67/61/943486761.db2.gz IRDIJBJEYGYSPF-QWRGUYRKSA-N 0 1 268.307 1.949 20 10 CDCDMN CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233077360 943486701 /nfs/dbraw/zinc/48/67/01/943486701.db2.gz LDLLQINZAOJSKW-LLVKDONJSA-N 0 1 298.333 1.971 20 10 CDCDMN CCC(=O)N[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233487328 943595267 /nfs/dbraw/zinc/59/52/67/943595267.db2.gz ZIPNEMZKQUUMAW-LLVKDONJSA-N 0 1 294.351 1.294 20 10 CDCDMN O=C1O[C@H]2C[C@@H]1N(Cc1cc(Cl)cc(F)c1O)C2 ZINC001237623626 944891408 /nfs/dbraw/zinc/89/14/08/944891408.db2.gz RGPBXODIINSEDQ-WPRPVWTQSA-N 0 1 271.675 1.684 20 10 CDCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H](CO)C1 ZINC001237814035 944962293 /nfs/dbraw/zinc/96/22/93/944962293.db2.gz OOPQCOBRAINTQT-QMMMGPOBSA-N 0 1 259.708 1.999 20 10 CDCDMN COC(=O)Cc1ccc(CN2CCOC[C@@H]2C)c(O)c1 ZINC001249172104 949443913 /nfs/dbraw/zinc/44/39/13/949443913.db2.gz IYEXEKDFWGYMNB-NSHDSACASA-N 0 1 279.336 1.328 20 10 CDCDMN COc1cccc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1O ZINC000399011524 951626189 /nfs/dbraw/zinc/62/61/89/951626189.db2.gz RPRRUHRAPSFDMR-PWSUYJOCSA-N 0 1 279.336 1.943 20 10 CDCDMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001308691333 956562881 /nfs/dbraw/zinc/56/28/81/956562881.db2.gz BQQZRDAOECFHET-HNXYLICVSA-N 0 1 296.317 1.756 20 10 CDCDMN O=C([O-])C[N@H+](Cc1ccccc1O)C1CCOCC1 ZINC001339150415 962207756 /nfs/dbraw/zinc/20/77/56/962207756.db2.gz CJMOJWZDAIQQMF-UHFFFAOYSA-N 0 1 265.309 1.458 20 10 CDCDMN C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(=O)[O-] ZINC000715719159 977780213 /nfs/dbraw/zinc/78/02/13/977780213.db2.gz QHGWFHPEKNVVNS-RXMQYKEDSA-N 0 1 292.104 1.857 20 10 CDCDMN CCOc1cccc(C[N@H+]2CC[C@](F)(C(=O)[O-])C2)c1O ZINC001597154756 986941818 /nfs/dbraw/zinc/94/18/18/986941818.db2.gz BAQGMYWPMZDERK-CQSZACIVSA-N 0 1 283.299 1.790 20 10 CDCDMN CC[C@H](CO)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298545681 356888185 /nfs/dbraw/zinc/88/81/85/356888185.db2.gz YBMGVNOIPOKWCD-CQSZACIVSA-N 0 1 293.411 1.072 20 10 CDCDMN COCCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000111236043 359197076 /nfs/dbraw/zinc/19/70/76/359197076.db2.gz YQZGAGYJZYJTPA-LBPRGKRZSA-N 0 1 280.368 1.365 20 10 CDCDMN CN(CC(=O)NC[C@H]1CCCO1)Cc1ccccc1O ZINC000269604952 364260803 /nfs/dbraw/zinc/26/08/03/364260803.db2.gz BQJXARUCWPBVDD-CYBMUJFWSA-N 0 1 278.352 1.119 20 10 CDCDMN COc1ccc(O)c([C@H](C)N[C@H](CO)c2cnn(C)c2)c1 ZINC000273489338 365500616 /nfs/dbraw/zinc/50/06/16/365500616.db2.gz NXJWIYMFYQTZIA-IINYFYTJSA-N 0 1 291.351 1.519 20 10 CDCDMN COc1ccc(O)c([C@H](C)N[C@@H](CO)c2cnn(C)c2)c1 ZINC000273489336 365500936 /nfs/dbraw/zinc/50/09/36/365500936.db2.gz NXJWIYMFYQTZIA-HZMBPMFUSA-N 0 1 291.351 1.519 20 10 CDCDMN Cc1nnc(NC(=O)c2c(F)ccc(O)c2O)n1C1CC1 ZINC000297267645 371977192 /nfs/dbraw/zinc/97/71/92/371977192.db2.gz ZFVFJSWDNQADJR-UHFFFAOYSA-N 0 1 292.270 1.724 20 10 CDCDMN CN(C)c1ccc(CN(CC(=O)N2CCC2)C2CC2)cc1 ZINC000298724878 372259209 /nfs/dbraw/zinc/25/92/09/372259209.db2.gz PVYODRFPIKQUHG-UHFFFAOYSA-N 0 1 287.407 1.949 20 10 CDCDMN O=C1C[N@H+](Cc2ccccc2O)[C@H]2CCCC[C@@H]2N1 ZINC000179565376 391211431 /nfs/dbraw/zinc/21/14/31/391211431.db2.gz YWEYGBVSNFBVEF-STQMWFEESA-N 0 1 260.337 1.635 20 10 CDCDMN CN(C)c1ccc(CN2CCCC[C@@H]2C(N)=O)cc1 ZINC000161978912 261264737 /nfs/dbraw/zinc/26/47/37/261264737.db2.gz WNCWNKZIJBORNL-CQSZACIVSA-N 0 1 261.369 1.592 20 10 CDCDMN Cc1c(O)ccc(CN2CCN(CCF)CC2)c1O ZINC001140749072 1159418300 /nfs/dbraw/zinc/41/83/00/1159418300.db2.gz PZYIFQSFZGSZEW-UHFFFAOYSA-N 0 1 268.332 1.493 20 10 CDCDMN COC(=O)COc1ccc(N(C)Cc2[nH]ncc2C)cc1 ZINC000290807597 523224419 /nfs/dbraw/zinc/22/44/19/523224419.db2.gz FVFXHLYFBNJCGP-UHFFFAOYSA-N 0 1 289.335 1.906 20 10 CDCDMN CN(C)C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000070758264 523985076 /nfs/dbraw/zinc/98/50/76/523985076.db2.gz RJHRNWSYWRNSAR-UHFFFAOYSA-N 0 1 291.395 1.043 20 10 CDCDMN CS(=O)(=O)CCNCc1ccc(N2CCCCC2)cc1 ZINC000037740658 525126096 /nfs/dbraw/zinc/12/60/96/525126096.db2.gz QMALQUWLJCWVRZ-UHFFFAOYSA-N 0 1 296.436 1.811 20 10 CDCDMN Cc1cc(O)c(C[N@@H+]2CCCNC[C@H]2C(=O)[O-])cc1C ZINC001600286076 1174438705 /nfs/dbraw/zinc/43/87/05/1174438705.db2.gz JVNDUYKFNJIAJX-ZDUSSCGKSA-N 0 1 278.352 1.258 20 10 CDCDMN Cc1cc(O)c(C[N@H+]2CCCNC[C@H]2C(=O)[O-])cc1C ZINC001600286076 1174438707 /nfs/dbraw/zinc/43/87/07/1174438707.db2.gz JVNDUYKFNJIAJX-ZDUSSCGKSA-N 0 1 278.352 1.258 20 10 CDCDMN O=C([O-])[C@@H](C[C@H]1CCCOC1)[NH2+]Cc1cccc(F)c1O ZINC001601642839 1174924678 /nfs/dbraw/zinc/92/46/78/1174924678.db2.gz QQGXJXPUGYQOHS-ZWNOBZJWSA-N 0 1 297.326 1.891 20 10 CDCDMN CC(=O)NCC[N@@H+](Cc1cc(C)ccc1O)[C@H](C)C(=O)[O-] ZINC000819770110 597705010 /nfs/dbraw/zinc/70/50/10/597705010.db2.gz HJNDDKZUYVNRJM-LLVKDONJSA-N 0 1 294.351 1.112 20 10 CDCDMN O=C([O-])[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000128826382 598130111 /nfs/dbraw/zinc/13/01/11/598130111.db2.gz YVQPUJLXWGXCRW-MRVPVSSYSA-N 0 1 255.701 1.952 20 10 CDCDMN Cc1nc([C@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC000804812815 617335194 /nfs/dbraw/zinc/33/51/94/617335194.db2.gz AKZGWNROAKNXAP-JQTRYQTASA-N 0 1 288.307 1.415 20 10 CDCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000840975341 617961504 /nfs/dbraw/zinc/96/15/04/617961504.db2.gz NIHIBYALHUKRDC-CABZTGNLSA-N 0 1 271.744 1.221 20 10 CDCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000840975341 617961521 /nfs/dbraw/zinc/96/15/21/617961521.db2.gz NIHIBYALHUKRDC-CABZTGNLSA-N 0 1 271.744 1.221 20 10 CDCDMN C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000895328904 619567880 /nfs/dbraw/zinc/56/78/80/619567880.db2.gz HLFXFETWLAVVRW-GXFFZTMASA-N 0 1 289.734 1.502 20 10 CDCDMN Oc1cc2c(cc1CN1CCC[C@@H]1C1OCCO1)OCO2 ZINC000902623178 625044925 /nfs/dbraw/zinc/04/49/25/625044925.db2.gz VGXNBUAIQMLHSF-LLVKDONJSA-N 0 1 293.319 1.458 20 10 CDCDMN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cnc[nH]1 ZINC000907275550 627579387 /nfs/dbraw/zinc/57/93/87/627579387.db2.gz VWBSOVFORIUXNN-VIFPVBQESA-N 0 1 275.308 1.111 20 10 CDCDMN O=C(CNc1cnc2c(c1)C[NH2+]CC2)c1ccc([O-])c(O)c1 ZINC001170314567 1162335089 /nfs/dbraw/zinc/33/50/89/1162335089.db2.gz DQVPHUWMTKWPPO-UHFFFAOYSA-N 0 1 299.330 1.433 20 10 CDCDMN CC1=CC(C(=O)Nc2nc(-c3ccncc3)n[nH]2)=S=C1 ZINC001627371598 1165992903 /nfs/dbraw/zinc/99/29/03/1165992903.db2.gz AQUJWJXTQCWKMN-UHFFFAOYSA-N 0 1 285.332 1.473 20 10 CDCDMN Cc1nonc1CNCc1cc(F)cc(F)c1O ZINC000883203393 835760034 /nfs/dbraw/zinc/76/00/34/835760034.db2.gz AVTBLWMOBLFMDM-UHFFFAOYSA-N 0 1 255.224 1.652 20 10 CDCDMN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H](O)C[NH3+] ZINC000841092278 836725428 /nfs/dbraw/zinc/72/54/28/836725428.db2.gz LYKGVXFBOYDMHD-SECBINFHSA-N 0 1 279.167 1.450 20 10 CDCDMN CN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@H](O)C[NH3+] ZINC000841092278 836725458 /nfs/dbraw/zinc/72/54/58/836725458.db2.gz LYKGVXFBOYDMHD-SECBINFHSA-N 0 1 279.167 1.450 20 10 CDCDMN CCS(=O)(=O)CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000840973402 836818325 /nfs/dbraw/zinc/81/83/25/836818325.db2.gz LVFATJGOBACEPQ-UHFFFAOYSA-N 0 1 291.800 1.960 20 10 CDCDMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cccc(O)c1O ZINC000185706511 836865937 /nfs/dbraw/zinc/86/59/37/836865937.db2.gz CIXUZORMNVATTR-LBPRGKRZSA-N 0 1 278.352 1.510 20 10 CDCDMN C[NH+](C)CC(C)(C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000790065844 837024642 /nfs/dbraw/zinc/02/46/42/837024642.db2.gz SUZUCANKJAYKFO-UHFFFAOYSA-N 0 1 284.331 1.555 20 10 CDCDMN C[C@@H]1CN(Cc2cccc(Br)c2O)CC(=O)N1 ZINC000824908664 837285911 /nfs/dbraw/zinc/28/59/11/837285911.db2.gz BNCBGMSYIVNZDQ-MRVPVSSYSA-N 0 1 299.168 1.475 20 10 CDCDMN C[C@@H](NCc1cc(F)cc(F)c1O)c1nnnn1C1CC1 ZINC000883102691 837842886 /nfs/dbraw/zinc/84/28/86/837842886.db2.gz XZAZSDZNQYVUMK-SSDOTTSWSA-N 0 1 295.293 1.843 20 10 CDCDMN COC1CN(Cc2cccc(Br)c2O)C1 ZINC000839127903 838229680 /nfs/dbraw/zinc/22/96/80/838229680.db2.gz JFUJTIWGNVWRFF-UHFFFAOYSA-N 0 1 272.142 1.985 20 10 CDCDMN O=C1CC[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])CCN12 ZINC000703445858 838828049 /nfs/dbraw/zinc/82/80/49/838828049.db2.gz DEZMZTLUIKVWFZ-SNVBAGLBSA-N 0 1 282.290 1.477 20 10 CDCDMN O=C1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])CCN12 ZINC000703445858 838828050 /nfs/dbraw/zinc/82/80/50/838828050.db2.gz DEZMZTLUIKVWFZ-SNVBAGLBSA-N 0 1 282.290 1.477 20 10 CDCDMN O=C(NOCCC1CC1)c1c(F)ccc(O)c1O ZINC000832845236 838846169 /nfs/dbraw/zinc/84/61/69/838846169.db2.gz JJZVSBKEIIKLSD-UHFFFAOYSA-N 0 1 255.245 1.698 20 10 CDCDMN C[C@@H]([NH2+]CCNC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817953969 838862680 /nfs/dbraw/zinc/86/26/80/838862680.db2.gz TXQOBYDSVNFEIB-SECBINFHSA-N 0 1 265.313 1.703 20 10 CDCDMN CCCN1CC(=O)N[C@H]1c1cc(F)cc(F)c1O ZINC000887329990 839022478 /nfs/dbraw/zinc/02/24/78/839022478.db2.gz VGTURJFMISNLBU-GFCCVEGCSA-N 0 1 256.252 1.511 20 10 CDCDMN CC(C)CN1CC(=O)N[C@@H]1c1cc(F)cc(F)c1O ZINC000887327104 839050985 /nfs/dbraw/zinc/05/09/85/839050985.db2.gz XBUCVXRLWFOEPE-ZDUSSCGKSA-N 0 1 270.279 1.757 20 10 CDCDMN O=C(NCCC[NH+]1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000842224967 839102825 /nfs/dbraw/zinc/10/28/25/839102825.db2.gz RRWPHUWGNZWWIS-UHFFFAOYSA-N 0 1 282.315 1.453 20 10 CDCDMN CC(C)[C@H]1CNCCN1C(=O)Cc1ccc(N)cc1 ZINC000876997286 840163210 /nfs/dbraw/zinc/16/32/10/840163210.db2.gz SBAFXVYAKAYQSG-CQSZACIVSA-N 0 1 261.369 1.268 20 10 CDCDMN CCC[N@@H+]1CC[C@@H](NCc2c(O)cccc2OC)C1 ZINC000850394934 840314255 /nfs/dbraw/zinc/31/42/55/840314255.db2.gz JGVMVWQDOWTMGK-GFCCVEGCSA-N 0 1 264.369 1.975 20 10 CDCDMN COc1cccc(O)c1C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000779199753 840844087 /nfs/dbraw/zinc/84/40/87/840844087.db2.gz KVJLTWNMIZSBJH-PWSUYJOCSA-N 0 1 251.326 1.604 20 10 CDCDMN COC[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825750010 840932035 /nfs/dbraw/zinc/93/20/35/840932035.db2.gz ZOQOAEMSFPGCDU-SNVBAGLBSA-N 0 1 259.733 1.451 20 10 CDCDMN C[C@@H]1CS(=O)(=O)CCN1Cc1cc(F)cc(F)c1O ZINC000708421022 841430706 /nfs/dbraw/zinc/43/07/06/841430706.db2.gz BFIKYNLJUMDLFY-MRVPVSSYSA-N 0 1 291.319 1.289 20 10 CDCDMN CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2O)C1 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CDCDMN COC[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)OC ZINC000227706743 392043722 /nfs/dbraw/zinc/04/37/22/392043722.db2.gz FPRDJWDRBLWEFT-SECBINFHSA-N 0 1 259.733 1.797 20 10 CDCDMN C[C@H]([NH2+]CC1(CO)COC1)c1cc(Cl)ccc1[O-] ZINC000186146036 262082101 /nfs/dbraw/zinc/08/21/01/262082101.db2.gz MHQJPVTZKSCTQH-VIFPVBQESA-N 0 1 271.744 1.705 20 10 CDCDMN C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(Cl)ccc1[O-] ZINC000186177536 262082951 /nfs/dbraw/zinc/08/29/51/262082951.db2.gz QZFPMJNHPZFZAQ-RNCFNFMXSA-N 0 1 271.744 1.848 20 10 CDCDMN COc1cc(O)c(C[N@H+]2CC[C@](O)(C3CC3)C2)cc1OC ZINC000369677487 267259259 /nfs/dbraw/zinc/25/92/59/267259259.db2.gz XJIWEHJIZPUZCP-MRXNPFEDSA-N 0 1 293.363 1.756 20 10 CDCDMN C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000227968755 329332227 /nfs/dbraw/zinc/33/22/27/329332227.db2.gz HIJWZYUALRXZMT-NOZJJQNGSA-N 0 1 271.744 1.675 20 10 CDCDMN C[C@H](CNC(=O)Cc1ccc(N)cc1)[N@@H+](C)C1CC1 ZINC000167336019 331308204 /nfs/dbraw/zinc/30/82/04/331308204.db2.gz 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C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882988199 735250713 /nfs/dbraw/zinc/25/07/13/735250713.db2.gz FVFNLZWUXUCYIO-NSHDSACASA-N 0 1 299.365 1.396 20 10 CDCDMN C[C@@H]([NH2+]Cc1c([O-])cccc1Cl)[C@H]1CN(C)CCO1 ZINC000129235230 735266814 /nfs/dbraw/zinc/26/68/14/735266814.db2.gz QTOJDDIYJIVVAU-QMTHXVAHSA-N 0 1 284.787 1.854 20 10 CDCDMN C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000848637932 735643393 /nfs/dbraw/zinc/64/33/93/735643393.db2.gz NQAFENIAAOJRCH-CYBMUJFWSA-N 0 1 291.395 1.249 20 10 CDCDMN CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000877674638 735656231 /nfs/dbraw/zinc/65/62/31/735656231.db2.gz NXOVPUJXXIHMPL-CQSZACIVSA-N 0 1 262.353 1.883 20 10 CDCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CCCN1CCCO ZINC000824559037 735675333 /nfs/dbraw/zinc/67/53/33/735675333.db2.gz CYRPWUWBDDSILJ-LBPRGKRZSA-N 0 1 298.814 1.982 20 10 CDCDMN COC(=O)C1(C)CN(Cc2cc(OC)ccc2O)C1 ZINC000822534893 736300509 /nfs/dbraw/zinc/30/05/09/736300509.db2.gz ZYBXSMHGCFVYPL-UHFFFAOYSA-N 0 1 265.309 1.396 20 10 CDCDMN O=S1(=O)CC[C@H](NCc2ccc(N3CCCC3)cc2)C1 ZINC000037187863 1165762127 /nfs/dbraw/zinc/76/21/27/1165762127.db2.gz NYFWQRIZAHLLIL-AWEZNQCLSA-N 0 1 294.420 1.564 20 10 CDCDMN CNC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138130818 936476495 /nfs/dbraw/zinc/47/64/95/936476495.db2.gz INOWGUZBEZUCGK-NSHDSACASA-N 0 1 281.331 1.425 20 10 CDCDMN Cc1cc(C)c(CNC(=O)C(O)C(F)(F)F)c(O)c1 ZINC001183201316 918377962 /nfs/dbraw/zinc/37/79/62/918377962.db2.gz KRLJHPQNQDGDBV-JTQLQIEISA-N 0 1 277.242 1.548 20 10 CDCDMN Cc1c(CN2CCCNC(=O)C2)c2ccccc2n1C ZINC001138252345 936501644 /nfs/dbraw/zinc/50/16/44/936501644.db2.gz CZHHQVCREAZRME-UHFFFAOYSA-N 0 1 271.364 1.809 20 10 CDCDMN CCN(Cc1ccccc1O)Cc1nccnc1N ZINC001140012570 936668102 /nfs/dbraw/zinc/66/81/02/936668102.db2.gz QTSZTRYNFBLOTE-UHFFFAOYSA-N 0 1 258.325 1.787 20 10 CDCDMN Cc1ccc(C)c(CN2CC[C@@H](O)[C@H](F)C2)c1O ZINC001140178682 936684600 /nfs/dbraw/zinc/68/46/00/936684600.db2.gz UNZWRGFDAWFEPR-CHWSQXEVSA-N 0 1 253.317 1.914 20 10 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ZLMZPDZYBLWBBE-AWEZNQCLSA-N 0 1 261.369 1.415 20 10 CDCDMN COC(=O)[C@@]1(F)CCN(Cc2cccc(C)c2O)C1 ZINC000271889007 365003976 /nfs/dbraw/zinc/00/39/76/365003976.db2.gz WWGVVRXONZTIFU-CQSZACIVSA-N 0 1 267.300 1.788 20 10 CDCDMN CC[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1O ZINC000270820440 367259872 /nfs/dbraw/zinc/25/98/72/367259872.db2.gz BEJBPDCUUKRDHQ-IINYFYTJSA-N 0 1 281.327 1.937 20 10 CDCDMN CC[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1O ZINC000270820440 367259881 /nfs/dbraw/zinc/25/98/81/367259881.db2.gz BEJBPDCUUKRDHQ-IINYFYTJSA-N 0 1 281.327 1.937 20 10 CDCDMN CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1O ZINC000270820440 367259887 /nfs/dbraw/zinc/25/98/87/367259887.db2.gz BEJBPDCUUKRDHQ-IINYFYTJSA-N 0 1 281.327 1.937 20 10 CDCDMN O=C(C[NH2+]Cc1c([O-])cccc1Cl)NCC1CC1 ZINC000272655993 371118621 /nfs/dbraw/zinc/11/86/21/371118621.db2.gz QQPKUWQQSDFAHF-UHFFFAOYSA-N 0 1 268.744 1.661 20 10 CDCDMN CNC(=O)C1CN(Cc2c(O)cccc2Cl)C1 ZINC000297506720 371997140 /nfs/dbraw/zinc/99/71/40/371997140.db2.gz WSZVNKJEBPAIQB-UHFFFAOYSA-N 0 1 254.717 1.223 20 10 CDCDMN CCOc1ccc(O)c(CN(C)[C@@H]2CCCCNC2=O)c1 ZINC000123970981 374745860 /nfs/dbraw/zinc/74/58/60/374745860.db2.gz CBMKLLJMJDPBEY-CQSZACIVSA-N 0 1 292.379 1.891 20 10 CDCDMN Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1C ZINC000120249779 390866773 /nfs/dbraw/zinc/86/67/73/390866773.db2.gz PKRGHGZXXJAHJW-BXUZGUMPSA-N 0 1 278.352 1.084 20 10 CDCDMN CS(=O)(=O)C[C@@H]1CCN(Cc2ccccc2O)C1 ZINC000368352075 267164747 /nfs/dbraw/zinc/16/47/47/267164747.db2.gz NZXLNCLZQYEXGR-LLVKDONJSA-N 0 1 269.366 1.259 20 10 CDCDMN CCN(Cc1cc(Cl)cc(OC)c1O)[C@H]1CCNC1=O ZINC000281733290 279233748 /nfs/dbraw/zinc/23/37/48/279233748.db2.gz JJOSHEJGJUKPHR-NSHDSACASA-N 0 1 298.770 1.765 20 10 CDCDMN O=C(C[NH2+]Cc1c([O-])cccc1Cl)NC1CC1 ZINC000083551752 526881379 /nfs/dbraw/zinc/88/13/79/526881379.db2.gz HNFHESLNKSCOLQ-UHFFFAOYSA-N 0 1 254.717 1.414 20 10 CDCDMN CCc1cccc(CN(CC)CC(=O)NC)c1O ZINC000821982347 1161925461 /nfs/dbraw/zinc/92/54/61/1161925461.db2.gz JLHJTOMAQUZRRC-UHFFFAOYSA-N 0 1 250.342 1.523 20 10 CDCDMN COc1cccc(CNC(=O)[C@@H]2CCCN2C2CC2)c1O ZINC000280031056 525997314 /nfs/dbraw/zinc/99/73/14/525997314.db2.gz YUBNQRKMMNSOMU-ZDUSSCGKSA-N 0 1 290.363 1.644 20 10 CDCDMN CCOc1ccc(CN2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC000769555633 575358893 /nfs/dbraw/zinc/35/88/93/575358893.db2.gz HVURTILTFZRBRE-MRXNPFEDSA-N 0 1 293.363 1.782 20 10 CDCDMN CCOc1ccc(CN(C)[C@@H]2CCN(C)C2=O)c(O)c1 ZINC000769463730 576356309 /nfs/dbraw/zinc/35/63/09/576356309.db2.gz PKQUGGMFUKDWJN-CYBMUJFWSA-N 0 1 278.352 1.453 20 10 CDCDMN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(C)C ZINC000750017208 576972333 /nfs/dbraw/zinc/97/23/33/576972333.db2.gz JSVLXVKGXZKOGO-ZDUSSCGKSA-N 0 1 291.395 1.090 20 10 CDCDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000819895516 598131422 /nfs/dbraw/zinc/13/14/22/598131422.db2.gz MATGTEVCZJVDLT-SECBINFHSA-N 0 1 254.305 1.797 20 10 CDCDMN O=C([O-])[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000821508651 604529787 /nfs/dbraw/zinc/52/97/87/604529787.db2.gz CWINFAKWLUEBOA-SECBINFHSA-N 0 1 265.265 1.170 20 10 CDCDMN COc1ccc(O)c(C[N@@H+](C)[C@H](COC(C)C)C(=O)[O-])c1 ZINC000833733797 605248447 /nfs/dbraw/zinc/24/84/47/605248447.db2.gz QMIBEVDXHZGPMG-CYBMUJFWSA-N 0 1 297.351 1.711 20 10 CDCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000840975627 617969329 /nfs/dbraw/zinc/96/93/29/617969329.db2.gz PMCOQUXYTNTMIQ-JOYOIKCWSA-N 0 1 289.734 1.360 20 10 CDCDMN COC(=O)[C@@](C)(CO)NCc1cccc(Cl)c1O ZINC000894975499 619170648 /nfs/dbraw/zinc/17/06/48/619170648.db2.gz OHARAOYEZYLIFX-GFCCVEGCSA-N 0 1 273.716 1.059 20 10 CDCDMN COc1cc(C)cc(C[N@H+]2CCc3n[nH]cc3C2)c1O ZINC000895390325 619628552 /nfs/dbraw/zinc/62/85/52/619628552.db2.gz WQZZXTFAWFLBCY-UHFFFAOYSA-N 0 1 273.336 1.991 20 10 CDCDMN COc1cc(C)cc(CN2CCc3n[nH]cc3C2)c1O ZINC000895390325 619628556 /nfs/dbraw/zinc/62/85/56/619628556.db2.gz WQZZXTFAWFLBCY-UHFFFAOYSA-N 0 1 273.336 1.991 20 10 CDCDMN COC[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754049 620960401 /nfs/dbraw/zinc/96/04/01/620960401.db2.gz YRGXKLMDVNBFBB-WCBMZHEXSA-N 0 1 259.733 1.704 20 10 CDCDMN c1nc2n(c1CNCc1ccc3c(c1)CCO3)CCOC2 ZINC000921650946 633127167 /nfs/dbraw/zinc/12/71/67/633127167.db2.gz PILOCASRJLBACZ-UHFFFAOYSA-N 0 1 285.347 1.638 20 10 CDCDMN CCS(=O)(=O)C[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000921737112 633253445 /nfs/dbraw/zinc/25/34/45/633253445.db2.gz AQOKPJOZSOAXJJ-LBPRGKRZSA-N 0 1 297.420 1.924 20 10 CDCDMN CCOc1ccc(C[N@@H+]2CCO[C@@H](CC(=O)[O-])C2)c(O)c1 ZINC001605692015 1163644773 /nfs/dbraw/zinc/64/47/73/1163644773.db2.gz VBQVCLUSKCOMSI-ZDUSSCGKSA-N 0 1 295.335 1.466 20 10 CDCDMN CCOc1ccc(C[N@H+]2CCO[C@@H](CC(=O)[O-])C2)c(O)c1 ZINC001605692015 1163644776 /nfs/dbraw/zinc/64/47/76/1163644776.db2.gz VBQVCLUSKCOMSI-ZDUSSCGKSA-N 0 1 295.335 1.466 20 10 CDCDMN C[N@@H+]1CCCC[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000863937378 1164495822 /nfs/dbraw/zinc/49/58/22/1164495822.db2.gz AJZGKYLRKZGLBU-SNVBAGLBSA-N 0 1 296.342 1.699 20 10 CDCDMN C[N@H+]1CCCC[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000863937378 1164495825 /nfs/dbraw/zinc/49/58/25/1164495825.db2.gz AJZGKYLRKZGLBU-SNVBAGLBSA-N 0 1 296.342 1.699 20 10 CDCDMN O=C([O-])C1=NO[C@]2(CC[N@H+](Cc3ccccc3O)C2)C1 ZINC001608589414 1164559268 /nfs/dbraw/zinc/55/92/68/1164559268.db2.gz PEGLRQGIHLQQQK-CQSZACIVSA-N 0 1 276.292 1.198 20 10 CDCDMN Cc1ccc(O)c(CNC(=O)NCc2cc(N)ccn2)c1 ZINC001579723318 1172247007 /nfs/dbraw/zinc/24/70/07/1172247007.db2.gz IZRHFOLOSZXXTL-UHFFFAOYSA-N 0 1 286.335 1.677 20 10 CDCDMN Cc1cccc(O)c1C[N@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC001600543433 1174501455 /nfs/dbraw/zinc/50/14/55/1174501455.db2.gz WKQDDHUVPSUVAX-LLVKDONJSA-N 0 1 265.309 1.376 20 10 CDCDMN O=C([O-])[C@]1(O)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001601723337 1174968326 /nfs/dbraw/zinc/96/83/26/1174968326.db2.gz IDSHJAAGLTVMCM-INIZCTEOSA-N 0 1 290.363 1.308 20 10 CDCDMN COc1cccc(O)c1C[N@@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC001610356963 1165294648 /nfs/dbraw/zinc/29/46/48/1165294648.db2.gz RXQPOGNTEMKGTR-SNVBAGLBSA-N 0 1 281.308 1.076 20 10 CDCDMN COc1cccc(O)c1C[N@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC001610356963 1165294654 /nfs/dbraw/zinc/29/46/54/1165294654.db2.gz RXQPOGNTEMKGTR-SNVBAGLBSA-N 0 1 281.308 1.076 20 10 CDCDMN Cc1cc([O-])c(C[NH2+][C@H](C)C(=O)NCCF)cc1Cl ZINC000825773987 844065982 /nfs/dbraw/zinc/06/59/82/844065982.db2.gz SKIOIPYUEOIQMJ-SECBINFHSA-N 0 1 288.750 1.918 20 10 CDCDMN COc1ccc(O)c(CN2CCc3cn[nH]c3C2)c1 ZINC000775714963 844226390 /nfs/dbraw/zinc/22/63/90/844226390.db2.gz YATIUCDKVKPPHH-UHFFFAOYSA-N 0 1 259.309 1.682 20 10 CDCDMN CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c(O)c1 ZINC000779199484 844441595 /nfs/dbraw/zinc/44/15/95/844441595.db2.gz BAFUPQRBKUMAPD-FZMZJTMJSA-N 0 1 265.353 1.994 20 10 CDCDMN COc1ccc(O)c(CNCc2ccc(CO)o2)c1 ZINC000174395096 844572776 /nfs/dbraw/zinc/57/27/76/844572776.db2.gz ZQQBHDKIPVVPSE-UHFFFAOYSA-N 0 1 263.293 1.776 20 10 CDCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+](CCO)CCCO ZINC000775692561 843087215 /nfs/dbraw/zinc/08/72/15/843087215.db2.gz LSLRGBYPDKMZIL-UHFFFAOYSA-N 0 1 277.723 1.361 20 10 CDCDMN O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(F)ccc(O)c1[O-] ZINC000825481485 843326953 /nfs/dbraw/zinc/32/69/53/843326953.db2.gz KQVKRGZCWREKCO-UWVGGRQHSA-N 0 1 294.326 1.594 20 10 CDCDMN O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1c(F)ccc(O)c1[O-] ZINC000825481485 843326970 /nfs/dbraw/zinc/32/69/70/843326970.db2.gz KQVKRGZCWREKCO-UWVGGRQHSA-N 0 1 294.326 1.594 20 10 CDCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCN1CCCOCC1 ZINC000809751269 843541880 /nfs/dbraw/zinc/54/18/80/843541880.db2.gz PDYXEKRFDWRUGX-UHFFFAOYSA-N 0 1 284.787 1.858 20 10 CDCDMN C[N@@H+](CC(=O)NCC(C)(C)C)Cc1ccccc1O ZINC000859188971 843637018 /nfs/dbraw/zinc/63/70/18/843637018.db2.gz ILVGAGDPPBMBNE-UHFFFAOYSA-N 0 1 264.369 1.986 20 10 CDCDMN CN(CC(=O)NCC(C)(C)C)Cc1ccccc1O ZINC000859188971 843637027 /nfs/dbraw/zinc/63/70/27/843637027.db2.gz ILVGAGDPPBMBNE-UHFFFAOYSA-N 0 1 264.369 1.986 20 10 CDCDMN CCOc1cccc(CN(CC)CC(=O)NC)c1O ZINC000132623089 843764097 /nfs/dbraw/zinc/76/40/97/843764097.db2.gz OAIPASJXFWCVGV-UHFFFAOYSA-N 0 1 266.341 1.359 20 10 CDCDMN CN(CC[NH+]1CCCC1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000825726854 843799595 /nfs/dbraw/zinc/79/95/95/843799595.db2.gz BPGVGSQHZGRHGD-UHFFFAOYSA-N 0 1 282.315 1.405 20 10 CDCDMN CCCOc1ccc(CN[C@H](C)C(N)=O)cc1C ZINC000877480899 844975218 /nfs/dbraw/zinc/97/52/18/844975218.db2.gz NKBJPXHKLGZPOE-LLVKDONJSA-N 0 1 250.342 1.747 20 10 CDCDMN CCOc1ccc(CN2CC[C@H](C)C[C@H]2C(N)=O)c(O)c1 ZINC000779201374 845165627 /nfs/dbraw/zinc/16/56/27/845165627.db2.gz YUUDHCQLTHJVCM-FZMZJTMJSA-N 0 1 292.379 1.877 20 10 CDCDMN Cc1ccc(CN2CCNC(=O)[C@@H]2C(C)C)c(O)c1 ZINC000876687406 845422586 /nfs/dbraw/zinc/42/25/86/845422586.db2.gz IUNVCHXIVXXOBJ-AWEZNQCLSA-N 0 1 262.353 1.657 20 10 CDCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC3CC2(C(=O)[O-])C3)c1O ZINC000849344214 845880408 /nfs/dbraw/zinc/88/04/08/845880408.db2.gz FEHAUSCZCOPJHQ-UHFFFAOYSA-N 0 1 293.294 1.783 20 10 CDCDMN CN1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CCC1=O ZINC000877632335 845890479 /nfs/dbraw/zinc/89/04/79/845890479.db2.gz WBZFYFKFSHAFKV-UHFFFAOYSA-N 0 1 270.279 1.335 20 10 CDCDMN CN1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CCC1=O ZINC000877632335 845890483 /nfs/dbraw/zinc/89/04/83/845890483.db2.gz WBZFYFKFSHAFKV-UHFFFAOYSA-N 0 1 270.279 1.335 20 10 CDCDMN C[N@H+]1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703565865 846026773 /nfs/dbraw/zinc/02/67/73/846026773.db2.gz SVLAVLACSJOALO-UHFFFAOYSA-N 0 1 256.296 1.808 20 10 CDCDMN CCN1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CC1=O ZINC000391571078 846458549 /nfs/dbraw/zinc/45/85/49/846458549.db2.gz UTXJEMAUPAQGCK-NSHDSACASA-N 0 1 268.744 1.756 20 10 CDCDMN Cc1nc([C@H](C)OC(=O)c2cccc(O)c2O)n[nH]1 ZINC000840458609 846476602 /nfs/dbraw/zinc/47/66/02/846476602.db2.gz DEXNWPVGGAHLIZ-LURJTMIESA-N 0 1 263.253 1.442 20 10 CDCDMN Cc1cc(O)c(CN2CCN(CCO)CC2)cc1Cl ZINC000824473477 846556123 /nfs/dbraw/zinc/55/61/23/846556123.db2.gz ANHOJDVVKSRDDJ-UHFFFAOYSA-N 0 1 284.787 1.464 20 10 CDCDMN 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OSPMUCGPODINBK-LBPRGKRZSA-N 0 1 282.771 1.968 20 10 CDCDMN COC[C@@](C)([NH2+]Cc1cc(F)cc(F)c1O)C(=O)[O-] ZINC000904009998 626179383 /nfs/dbraw/zinc/17/93/83/626179383.db2.gz NUGXALUEBUTSAI-GFCCVEGCSA-N 0 1 275.251 1.250 20 10 CDCDMN CN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000154406794 632219473 /nfs/dbraw/zinc/21/94/73/632219473.db2.gz XNTRZDVHUMNBTF-UHFFFAOYSA-N 0 1 293.386 1.410 20 10 CDCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001237617196 1167395347 /nfs/dbraw/zinc/39/53/47/1167395347.db2.gz MOVCJBBACTZCSN-PRHODGIISA-N 0 1 289.734 1.360 20 10 CDCDMN O=C1NC[C@@H]2CN(Cc3cc(Cl)cc(F)c3O)CCN12 ZINC000775736524 697657455 /nfs/dbraw/zinc/65/74/55/697657455.db2.gz HWTSREOSIUGHLR-SNVBAGLBSA-N 0 1 299.733 1.394 20 10 CDCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1Cl ZINC000825731148 697811324 /nfs/dbraw/zinc/81/13/24/697811324.db2.gz DANCZWAWPZHDBQ-QMTHXVAHSA-N 0 1 285.771 1.984 20 10 CDCDMN NC(=O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816480731 697907089 /nfs/dbraw/zinc/90/70/89/697907089.db2.gz VDBWQXQWYGUYAT-CYBMUJFWSA-N 0 1 270.332 1.853 20 10 CDCDMN NC(=O)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816480731 697907113 /nfs/dbraw/zinc/90/71/13/697907113.db2.gz VDBWQXQWYGUYAT-CYBMUJFWSA-N 0 1 270.332 1.853 20 10 CDCDMN COC[C@@H](CCO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825292609 697968295 /nfs/dbraw/zinc/96/82/95/697968295.db2.gz ZKOVSIIGTTYWKY-LLVKDONJSA-N 0 1 273.760 1.841 20 10 CDCDMN COc1ccc(O)c(S(=O)(=O)Nc2ccc(O)cc2)c1 ZINC000776744068 697968657 /nfs/dbraw/zinc/96/86/57/697968657.db2.gz DOOZSCXFTIILBG-UHFFFAOYSA-N 0 1 295.316 1.907 20 10 CDCDMN COC(=O)c1cc(CNCc2cccc(OC)c2O)on1 ZINC000877526073 698004392 /nfs/dbraw/zinc/00/43/92/698004392.db2.gz PHTOWHWVSWLASQ-UHFFFAOYSA-N 0 1 292.291 1.465 20 10 CDCDMN COc1ccc(N(C)CCN(C)C(=O)CN(C)C)cc1 ZINC000846446085 698052790 /nfs/dbraw/zinc/05/27/90/698052790.db2.gz IXYWYPPYYKKLDF-UHFFFAOYSA-N 0 1 279.384 1.151 20 10 CDCDMN COc1c([O-])c(CN2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000843047183 698130122 /nfs/dbraw/zinc/13/01/22/698130122.db2.gz ITQKBJHORXNXAD-SECBINFHSA-N 0 1 281.312 1.103 20 10 CDCDMN COC(=O)C[C@@H]1COCCN1Cc1c(C)cccc1O ZINC000877529918 698303553 /nfs/dbraw/zinc/30/35/53/698303553.db2.gz ODRNIIGYBXKZBU-GFCCVEGCSA-N 0 1 279.336 1.465 20 10 CDCDMN CSc1n[nH]c(NC(=O)c2cccc(O)c2O)n1 ZINC000790597965 698340574 /nfs/dbraw/zinc/34/05/74/698340574.db2.gz HVSJQQIYGDHONG-UHFFFAOYSA-N 0 1 266.282 1.190 20 10 CDCDMN CC[C@H]1CN(C)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955638 698347823 /nfs/dbraw/zinc/34/78/23/698347823.db2.gz ITVQOSVHDLJPJC-HNNXBMFYSA-N 0 1 290.411 1.547 20 10 CDCDMN CCNC(=O)[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000921490767 698942670 /nfs/dbraw/zinc/94/26/70/698942670.db2.gz RCPHMWSWJHERQB-NSHDSACASA-N 0 1 262.353 1.626 20 10 CDCDMN C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841751424 704833341 /nfs/dbraw/zinc/83/33/41/704833341.db2.gz MVQQSJWOWVZOHB-SNVBAGLBSA-N 0 1 298.770 1.555 20 10 CDCDMN Cc1ccc(O)c(CNC(=O)CCc2nc[nH]n2)c1 ZINC000862758220 704859058 /nfs/dbraw/zinc/85/90/58/704859058.db2.gz SWFXXBVIZAWMJT-UHFFFAOYSA-N 0 1 260.297 1.068 20 10 CDCDMN COc1c([O-])c(C[N@H+](C)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000809692669 705090890 /nfs/dbraw/zinc/09/08/90/705090890.db2.gz CQXXXUTXJHXCCF-NSHDSACASA-N 0 1 296.323 1.920 20 10 CDCDMN COc1c([O-])c(C[N@@H+](C)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000809692669 705090897 /nfs/dbraw/zinc/09/08/97/705090897.db2.gz CQXXXUTXJHXCCF-NSHDSACASA-N 0 1 296.323 1.920 20 10 CDCDMN CCN1C[C@H](NCc2cc(F)c(N(C)C)cc2F)CC1=O ZINC000858173277 705207632 /nfs/dbraw/zinc/20/76/32/705207632.db2.gz YAVZNOIDRDBAAI-LLVKDONJSA-N 0 1 297.349 1.741 20 10 CDCDMN C[C@H](O)C[N@@H+](C)Cc1ccc(Br)cc1O ZINC000825502393 848431392 /nfs/dbraw/zinc/43/13/92/848431392.db2.gz XBXJQXJXOUMNCF-QMMMGPOBSA-N 0 1 274.158 1.967 20 10 CDCDMN C[C@H](O)C[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825502393 848431394 /nfs/dbraw/zinc/43/13/94/848431394.db2.gz XBXJQXJXOUMNCF-QMMMGPOBSA-N 0 1 274.158 1.967 20 10 CDCDMN C[C@H](O)C[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000825502393 848431395 /nfs/dbraw/zinc/43/13/95/848431395.db2.gz XBXJQXJXOUMNCF-QMMMGPOBSA-N 0 1 274.158 1.967 20 10 CDCDMN CC(C)(CS(C)(=O)=O)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000391387548 848438703 /nfs/dbraw/zinc/43/87/03/848438703.db2.gz DNVBJPVKXNDGBM-UHFFFAOYSA-N 0 1 291.800 1.958 20 10 CDCDMN Cc1cccc(CN2C[C@H](C)O[C@H](CO)C2)c1O ZINC000191519772 848853097 /nfs/dbraw/zinc/85/30/97/848853097.db2.gz FYDWHSXQRZHUSY-AAEUAGOBSA-N 0 1 251.326 1.282 20 10 CDCDMN C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c([O-])c(O)ccc1F ZINC000857270065 849108813 /nfs/dbraw/zinc/10/88/13/849108813.db2.gz NCEOOURYDHOLEM-WCBMZHEXSA-N 0 1 282.315 1.402 20 10 CDCDMN COc1ccc(N2CCN(C[C@@H](O)CSC)CC2)cc1 ZINC000187730164 849182012 /nfs/dbraw/zinc/18/20/12/849182012.db2.gz PPWCZOATWKSGFL-CQSZACIVSA-N 0 1 296.436 1.541 20 10 CDCDMN C[C@H]1CN(C)C(=O)CN1Cc1c(O)ccc(Cl)c1F ZINC000792179691 849303916 /nfs/dbraw/zinc/30/39/16/849303916.db2.gz KPRVKBVNRCQPKY-QMMMGPOBSA-N 0 1 286.734 1.847 20 10 CDCDMN COc1ccc(O)c(C[N@H+]2CCC[C@@H](NC(C)=O)C2)c1 ZINC000179691479 849513845 /nfs/dbraw/zinc/51/38/45/849513845.db2.gz GLUKDMJLFLTXHX-CYBMUJFWSA-N 0 1 278.352 1.501 20 10 CDCDMN CC[N@H+]1CC[C@@H]1CNC(=O)NCc1cc(C)ccc1O ZINC000883900269 849920054 /nfs/dbraw/zinc/92/00/54/849920054.db2.gz HAEWMPCGIYLCRU-CYBMUJFWSA-N 0 1 277.368 1.594 20 10 CDCDMN CCN1CC[C@@H]1CNC(=O)NCc1cc(C)ccc1O ZINC000883900269 849920065 /nfs/dbraw/zinc/92/00/65/849920065.db2.gz HAEWMPCGIYLCRU-CYBMUJFWSA-N 0 1 277.368 1.594 20 10 CDCDMN Cc1ccc(O)c(CNC(=O)CCc2cnc[nH]2)c1 ZINC000862757565 850037871 /nfs/dbraw/zinc/03/78/71/850037871.db2.gz YSNSQBCEDNDIJP-UHFFFAOYSA-N 0 1 259.309 1.673 20 10 CDCDMN Nc1ccc(CN2CC[C@@](N)(C(F)(F)F)C2)cc1 ZINC001206243805 913494702 /nfs/dbraw/zinc/49/47/02/913494702.db2.gz GHRSYNQVTCIZFQ-NSHDSACASA-N 0 1 259.275 1.734 20 10 CDCDMN C[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]1O ZINC001140463090 896173485 /nfs/dbraw/zinc/17/34/85/896173485.db2.gz SDMRBPHCFNJUAN-KBPBESRZSA-N 0 1 285.771 1.611 20 10 CDCDMN C[C@@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]1O ZINC001140463090 896173496 /nfs/dbraw/zinc/17/34/96/896173496.db2.gz SDMRBPHCFNJUAN-KBPBESRZSA-N 0 1 285.771 1.611 20 10 CDCDMN COc1cc([O-])c(CN2CC[C@@](C)([NH3+])C2)c(Cl)c1 ZINC001204800600 906813855 /nfs/dbraw/zinc/81/38/55/906813855.db2.gz FLLQFHRJFPAVGE-CYBMUJFWSA-N 0 1 270.760 1.977 20 10 CDCDMN COc1ccc(CN2CC(=O)N[C@@H](C)C2)c(O)c1Cl ZINC001236802458 916491255 /nfs/dbraw/zinc/49/12/55/916491255.db2.gz QSJLWOXPMXCKCD-QMMMGPOBSA-N 0 1 284.743 1.375 20 10 CDCDMN C[N@H+]1CC[C@@H]2CN(Cc3cc(F)cc(F)c3[O-])C[C@@H]21 ZINC001181900839 917457446 /nfs/dbraw/zinc/45/74/46/917457446.db2.gz MOCHGCQCRDTIPW-RNCFNFMXSA-N 0 1 268.307 1.806 20 10 CDCDMN O=C(CCc1ccc(O)c(O)c1)Nc1n[nH]c2nccnc12 ZINC001182153676 917691034 /nfs/dbraw/zinc/69/10/34/917691034.db2.gz FADXJAUDAXIRQC-UHFFFAOYSA-N 0 1 299.290 1.335 20 10 CDCDMN COc1cc(CN2C[C@H](CO)CC[C@H]2C)cc(O)c1O ZINC001204342988 917892119 /nfs/dbraw/zinc/89/21/19/917892119.db2.gz PBUBWQXCKUTTSS-GHMZBOCLSA-N 0 1 281.352 1.699 20 10 CDCDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CCOC(=O)C1 ZINC001139132884 936600476 /nfs/dbraw/zinc/60/04/76/936600476.db2.gz BRLQWLMOWZUPQK-UHFFFAOYSA-N 0 1 289.287 1.166 20 10 CDCDMN O=C1CC[N@H+](Cc2c(F)ccc(F)c2[O-])C[C@H]2CCCN12 ZINC001139690613 936636545 /nfs/dbraw/zinc/63/65/45/936636545.db2.gz YKRUEZIMYMKZGQ-SNVBAGLBSA-N 0 1 296.317 1.867 20 10 CDCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001140338113 936702906 /nfs/dbraw/zinc/70/29/06/936702906.db2.gz VQRHJSQMDQIRQY-ZYHUDNBSSA-N 0 1 259.708 1.950 20 10 CDCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001140338113 936702907 /nfs/dbraw/zinc/70/29/07/936702907.db2.gz VQRHJSQMDQIRQY-ZYHUDNBSSA-N 0 1 259.708 1.950 20 10 CDCDMN Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001140461827 936712156 /nfs/dbraw/zinc/71/21/56/936712156.db2.gz UQUQLVXSVIQRRU-PWSUYJOCSA-N 0 1 259.708 1.950 20 10 CDCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001140461827 936712157 /nfs/dbraw/zinc/71/21/57/936712157.db2.gz UQUQLVXSVIQRRU-PWSUYJOCSA-N 0 1 259.708 1.950 20 10 CDCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001140461827 936712158 /nfs/dbraw/zinc/71/21/58/936712158.db2.gz UQUQLVXSVIQRRU-PWSUYJOCSA-N 0 1 259.708 1.950 20 10 CDCDMN CCOC(=O)CN(C)Cc1c(O)cc(F)cc1F ZINC001140581751 936727274 /nfs/dbraw/zinc/72/72/74/936727274.db2.gz ZARGSWZPQIEXLV-UHFFFAOYSA-N 0 1 259.252 1.665 20 10 CDCDMN Cc1ccc(O)c(CN2CC(N3CC(F)C3)C2)c1 ZINC001140617671 936731171 /nfs/dbraw/zinc/73/11/71/936731171.db2.gz VZFPKEBBQQQJLI-UHFFFAOYSA-N 0 1 250.317 1.539 20 10 CDCDMN CN1CC[C@]2(CCC[N@H+]2Cc2c([O-])cccc2F)C1=O ZINC001273265771 925670885 /nfs/dbraw/zinc/67/08/85/925670885.db2.gz KIJPJFLLMMOACI-OAHLLOKOSA-N 0 1 278.327 1.728 20 10 CDCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001142508710 937025375 /nfs/dbraw/zinc/02/53/75/937025375.db2.gz IWKKYDOPSKWXKH-SKDRFNHKSA-N 0 1 275.270 1.965 20 10 CDCDMN CN1C(=O)C2(CCOCC2)N[C@@H]1c1cccc(Cl)c1O ZINC000887335504 931061062 /nfs/dbraw/zinc/06/10/62/931061062.db2.gz GJTUFHAGZOSTIK-LBPRGKRZSA-N 0 1 296.754 1.655 20 10 CDCDMN CC[N@@H+]1CC[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825510786 931507200 /nfs/dbraw/zinc/50/72/00/931507200.db2.gz IUHOZPINFXKMCE-SECBINFHSA-N 0 1 282.315 1.309 20 10 CDCDMN CC[N@H+]1CC[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825510786 931507202 /nfs/dbraw/zinc/50/72/02/931507202.db2.gz IUHOZPINFXKMCE-SECBINFHSA-N 0 1 282.315 1.309 20 10 CDCDMN O=C(c1c([O-])c(O)ccc1F)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001117787849 937553231 /nfs/dbraw/zinc/55/32/31/937553231.db2.gz UVVRLVCGDLUJSR-SNVBAGLBSA-N 0 1 294.326 1.547 20 10 CDCDMN O=C(c1c([O-])c(O)ccc1F)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001117787849 937553232 /nfs/dbraw/zinc/55/32/32/937553232.db2.gz UVVRLVCGDLUJSR-SNVBAGLBSA-N 0 1 294.326 1.547 20 10 CDCDMN CN1CCN(C)[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000083552539 934748315 /nfs/dbraw/zinc/74/83/15/934748315.db2.gz NWBJIMCJLLIBSU-LLVKDONJSA-N 0 1 283.803 1.381 20 10 CDCDMN 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CDCDMN COc1cc(CN2CCC[C@H](CCO)C2)cc(O)c1O ZINC001204345144 939758032 /nfs/dbraw/zinc/75/80/32/939758032.db2.gz MSXQCZHMTLTDFQ-LLVKDONJSA-N 0 1 281.352 1.701 20 10 CDCDMN COc1cc(CN(C)[C@@H]2CCOC2)cc(O)c1O ZINC001204344839 939758091 /nfs/dbraw/zinc/75/80/91/939758091.db2.gz JKWCJKWMZJJBGP-SNVBAGLBSA-N 0 1 253.298 1.327 20 10 CDCDMN CCOc1ccc(CN2CC3(CCN3C)C2)c(O)c1 ZINC001276815479 941464082 /nfs/dbraw/zinc/46/40/82/941464082.db2.gz UHWLWTHNABJSSX-UHFFFAOYSA-N 0 1 262.353 1.681 20 10 CDCDMN NC(=O)[C@]12C[C@H]1CCN2Cc1ccc(N2CCCC2)cc1 ZINC001277209663 942177487 /nfs/dbraw/zinc/17/74/87/942177487.db2.gz JUKQPAXYVRJLMC-PBHICJAKSA-N 0 1 285.391 1.737 20 10 CDCDMN NC(=O)[C@@H]1CC12CN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001277210645 942178224 /nfs/dbraw/zinc/17/82/24/942178224.db2.gz XKUDIXIPRRHJIY-HNNXBMFYSA-N 0 1 285.391 1.594 20 10 CDCDMN COC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231445902 942892170 /nfs/dbraw/zinc/89/21/70/942892170.db2.gz CKDUDGGESQAZRR-SNVBAGLBSA-N 0 1 265.309 1.559 20 10 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1.352 20 10 CDCDMN CN(C)c1cc(NC(=O)CCc2ccc(O)c(O)c2)n[nH]1 ZINC001182154479 917693047 /nfs/dbraw/zinc/69/30/47/917693047.db2.gz IHYFAAFTODZTLY-UHFFFAOYSA-N 0 1 290.323 1.458 20 10 CDCDMN C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1cccc(Cl)c1[O-] ZINC001276380478 936621177 /nfs/dbraw/zinc/62/11/77/936621177.db2.gz WDMWAALUAIGDDM-TXEJJXNPSA-N 0 1 282.771 1.560 20 10 CDCDMN COCCN(CCOC)Cc1c(O)cc(OC)cc1OC ZINC001141031885 936795749 /nfs/dbraw/zinc/79/57/49/936795749.db2.gz NLZLBCJETKWPNE-UHFFFAOYSA-N 0 1 299.367 1.504 20 10 CDCDMN CCN1CC[N@H+](Cc2cc(O)ccc2O)[C@H](C)C1 ZINC001141163134 936823615 /nfs/dbraw/zinc/82/36/15/936823615.db2.gz QOBPYPVIWOBKHK-LLVKDONJSA-N 0 1 250.342 1.624 20 10 CDCDMN O=C(N[C@@H]1CCC[C@@H]1O)c1cc(O)c(O)c(Cl)c1 ZINC001193625931 923817647 /nfs/dbraw/zinc/81/76/47/923817647.db2.gz POKHLDRDSSHJNS-BDAKNGLRSA-N 0 1 271.700 1.394 20 10 CDCDMN CC(C)C[C@H](CO)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626712 923817858 /nfs/dbraw/zinc/81/78/58/923817858.db2.gz ZILCCUWNEWYRON-SECBINFHSA-N 0 1 287.743 1.888 20 10 CDCDMN C[C@@H]1COCC[C@@H]1NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193634599 923823495 /nfs/dbraw/zinc/82/34/95/923823495.db2.gz YTHDBVZOOQQSCI-XCBNKYQSSA-N 0 1 285.727 1.906 20 10 CDCDMN C[C@]1(CO)CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C[C@@H]1O ZINC001142508728 937024890 /nfs/dbraw/zinc/02/48/90/937024890.db2.gz JOXZWIPFEXZZCC-UONOGXRCSA-N 0 1 287.306 1.236 20 10 CDCDMN COc1ccc(O)c(C[N@H+]2C[C@H](F)C[C@H](CO)C2)c1 ZINC001203670347 939700595 /nfs/dbraw/zinc/70/05/95/939700595.db2.gz OJHLFJKQEXCWKI-CMPLNLGQSA-N 0 1 269.316 1.553 20 10 CDCDMN COc1ccc(O)c(CN2C[C@H](F)C[C@H](CO)C2)c1 ZINC001203670347 939700596 /nfs/dbraw/zinc/70/05/96/939700596.db2.gz OJHLFJKQEXCWKI-CMPLNLGQSA-N 0 1 269.316 1.553 20 10 CDCDMN CN(C)c1ccc(CN2CCN(C3COC3)CC2)cc1 ZINC001203929828 939714932 /nfs/dbraw/zinc/71/49/32/939714932.db2.gz GLLMKGOWJNDKJU-UHFFFAOYSA-N 0 1 275.396 1.269 20 10 CDCDMN C[C@H]1CC[C@@H](C[NH3+])N1Cc1c([O-])ccc(F)c1F ZINC001205083759 939820865 /nfs/dbraw/zinc/82/08/65/939820865.db2.gz YUSWMQGUOZYATJ-IUCAKERBSA-N 0 1 256.296 1.982 20 10 CDCDMN CN(C)c1cccc(NS(=O)(=O)c2cncc(N)c2)c1 ZINC000312289802 941347844 /nfs/dbraw/zinc/34/78/44/941347844.db2.gz LKYWSVMITRLFEJ-UHFFFAOYSA-N 0 1 292.364 1.531 20 10 CDCDMN CN(C)C(=O)[C@@H]1CC12CN(Cc1cc(Cl)ccc1O)C2 ZINC001277456893 942623050 /nfs/dbraw/zinc/62/30/50/942623050.db2.gz DDSBUNUOLQFFCU-LBPRGKRZSA-N 0 1 294.782 1.956 20 10 CDCDMN CN1CCC[C@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3O)C[C@H]21 ZINC001231565967 942930046 /nfs/dbraw/zinc/93/00/46/942930046.db2.gz FYFCJWGWLZACDP-GXTWGEPZSA-N 0 1 290.363 1.616 20 10 CDCDMN C[N@@H+]1CCC[C@H]2CN(Cc3cc(C(=O)[O-])ccc3O)C[C@H]21 ZINC001231565967 942930053 /nfs/dbraw/zinc/93/00/53/942930053.db2.gz FYFCJWGWLZACDP-GXTWGEPZSA-N 0 1 290.363 1.616 20 10 CDCDMN C[N@H+]1CCC[C@H]2CN(Cc3cc(C(=O)[O-])ccc3O)C[C@H]21 ZINC001231565967 942930061 /nfs/dbraw/zinc/93/00/61/942930061.db2.gz FYFCJWGWLZACDP-GXTWGEPZSA-N 0 1 290.363 1.616 20 10 CDCDMN Cn1cc2c(n1)CC[N@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001231565470 942930389 /nfs/dbraw/zinc/93/03/89/942930389.db2.gz XRUOUIUNVIQJMZ-UHFFFAOYSA-N 0 1 287.319 1.382 20 10 CDCDMN Cc1cc(O)c(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc1Cl ZINC001231867162 943037238 /nfs/dbraw/zinc/03/72/38/943037238.db2.gz HZMBEUSBXPJQGL-IINYFYTJSA-N 0 1 285.771 1.529 20 10 CDCDMN CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001232263599 943195521 /nfs/dbraw/zinc/19/55/21/943195521.db2.gz SKZYBWVNEHYSNS-LLVKDONJSA-N 0 1 298.770 1.852 20 10 CDCDMN COC(=O)[C@H]1C[C@H](C)CN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233017738 943465939 /nfs/dbraw/zinc/46/59/39/943465939.db2.gz ZTDZFBGBVAEUSQ-ONGXEEELSA-N 0 1 295.335 1.434 20 10 CDCDMN COC(=O)C1C[NH+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233076882 943485828 /nfs/dbraw/zinc/48/58/28/943485828.db2.gz WUKYXQCDKDJGPL-UHFFFAOYSA-N 0 1 257.236 1.275 20 10 CDCDMN C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c(O)ccc(F)c1F ZINC001233335090 943549260 /nfs/dbraw/zinc/54/92/60/943549260.db2.gz GZTQHLLKSODGQE-AOOOYVTPSA-N 0 1 268.307 1.949 20 10 CDCDMN C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])ccc(F)c1F ZINC001233335090 943549263 /nfs/dbraw/zinc/54/92/63/943549263.db2.gz GZTQHLLKSODGQE-AOOOYVTPSA-N 0 1 268.307 1.949 20 10 CDCDMN C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])ccc(F)c1F ZINC001233335090 943549265 /nfs/dbraw/zinc/54/92/65/943549265.db2.gz GZTQHLLKSODGQE-AOOOYVTPSA-N 0 1 268.307 1.949 20 10 CDCDMN COc1cc([O-])c(CN2C[C@H]3C[C@@]3([NH3+])C2)c(Cl)c1 ZINC001236027014 944382100 /nfs/dbraw/zinc/38/21/00/944382100.db2.gz MYZGOZUJSGIXAP-AMIZOPFISA-N 0 1 268.744 1.587 20 10 CDCDMN COc1ccc(CN2CCn3nncc3C2)c(O)c1Cl ZINC001236805488 944573793 /nfs/dbraw/zinc/57/37/93/944573793.db2.gz AFSHZZBIKDYXHM-UHFFFAOYSA-N 0 1 294.742 1.662 20 10 CDCDMN CN1C[C@@H]2C[N@H+](Cc3c([O-])ccc(F)c3Cl)C[C@@H]2C1=O ZINC001237124609 944660510 /nfs/dbraw/zinc/66/05/10/944660510.db2.gz OCQNEGSWVNWACL-BDAKNGLRSA-N 0 1 298.745 1.705 20 10 CDCDMN CN1C[C@@H]2C[N@@H+](Cc3c([O-])ccc(F)c3Cl)C[C@@H]2C1=O ZINC001237124609 944660514 /nfs/dbraw/zinc/66/05/14/944660514.db2.gz OCQNEGSWVNWACL-BDAKNGLRSA-N 0 1 298.745 1.705 20 10 CDCDMN CCNC(=O)C[N@H+](C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237807440 944958129 /nfs/dbraw/zinc/95/81/29/944958129.db2.gz IPOZRIYGKDHULT-UHFFFAOYSA-N 0 1 274.723 1.753 20 10 CDCDMN CCNC(=O)C[N@@H+](C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237807440 944958131 /nfs/dbraw/zinc/95/81/31/944958131.db2.gz IPOZRIYGKDHULT-UHFFFAOYSA-N 0 1 274.723 1.753 20 10 CDCDMN COC(=O)[C@@H]1C[C@@H](N(C)Cc2ccc(N(C)C)cc2)CN1 ZINC001246899617 948508816 /nfs/dbraw/zinc/50/88/16/948508816.db2.gz FGJOVIQAUUJOJR-CABCVRRESA-N 0 1 291.395 1.088 20 10 CDCDMN COCC[N@@H+](CCC(=O)[O-])Cc1c(C)cc(OC)cc1O ZINC001594011099 956992385 /nfs/dbraw/zinc/99/23/85/956992385.db2.gz IFGIBZYOTBJNSU-UHFFFAOYSA-N 0 1 297.351 1.632 20 10 CDCDMN CCn1ncnc1C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001605945469 1163721669 /nfs/dbraw/zinc/72/16/69/1163721669.db2.gz KZRJRQJALOTDLH-VIFPVBQESA-N 0 1 290.323 1.553 20 10 CDCDMN C[C@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C[NH2+]1 ZINC001576666347 1171484301 /nfs/dbraw/zinc/48/43/01/1171484301.db2.gz MOMBSSSLJRMVTC-ONGXEEELSA-N 0 1 297.786 1.985 20 10 CDCDMN CCN(CC)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000081485409 342368224 /nfs/dbraw/zinc/36/82/24/342368224.db2.gz UWCNJYARJZJQOQ-UHFFFAOYSA-N 0 1 291.395 1.820 20 10 CDCDMN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N(C)C ZINC000635627880 362205543 /nfs/dbraw/zinc/20/55/43/362205543.db2.gz DLKMFQKCZXELTN-LLVKDONJSA-N 0 1 277.368 1.428 20 10 CDCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295130168 199362167 /nfs/dbraw/zinc/36/21/67/199362167.db2.gz OLHQDJFCVOVWCY-GFCCVEGCSA-N 0 1 298.814 1.982 20 10 CDCDMN COC(=O)[C@H]1C[C@H](O)CN1Cc1cccc(Cl)c1O ZINC000188613632 357917506 /nfs/dbraw/zinc/91/75/06/357917506.db2.gz UREQYHPJCYFKLL-GXSJLCMTSA-N 0 1 285.727 1.154 20 10 CDCDMN COc1cccc(CN(C)[C@@H]2CCN(C)C2=O)c1O ZINC000271187930 364966321 /nfs/dbraw/zinc/96/63/21/364966321.db2.gz KMXLFRHWQURZMV-LLVKDONJSA-N 0 1 264.325 1.063 20 10 CDCDMN C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(F)ccc1O ZINC000273526916 365503976 /nfs/dbraw/zinc/50/39/76/365503976.db2.gz VKPHFRXHCYTQDC-TVQRCGJNSA-N 0 1 279.315 1.649 20 10 CDCDMN C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1[O-] ZINC000273576941 365508799 /nfs/dbraw/zinc/50/87/99/365508799.db2.gz MBBUUYQKYLQZNM-PSASIEDQSA-N 0 1 268.744 1.927 20 10 CDCDMN CCn1nncc1CNCc1cc(OC)c(OC)cc1O ZINC000529641378 368085728 /nfs/dbraw/zinc/08/57/28/368085728.db2.gz YHCRYTZUPPHIPJ-UHFFFAOYSA-N 0 1 292.339 1.311 20 10 CDCDMN CCc1nc(CNCc2ccc(N(C)C)c(F)c2)n[nH]1 ZINC000295929787 371520552 /nfs/dbraw/zinc/52/05/52/371520552.db2.gz FPEJGFCFWWDDIM-UHFFFAOYSA-N 0 1 277.347 1.862 20 10 CDCDMN CN(C)c1ccc(CN2CCCN(C)C(=O)C2)cc1 ZINC000191666321 373507545 /nfs/dbraw/zinc/50/75/45/373507545.db2.gz DQMNWLLWFDCUNU-UHFFFAOYSA-N 0 1 261.369 1.417 20 10 CDCDMN O=C1CO[C@H]2CCN(Cc3cc(Cl)ccc3O)C[C@@H]2N1 ZINC000366771118 374130867 /nfs/dbraw/zinc/13/08/67/374130867.db2.gz JYNINJNWHQCRDF-AAEUAGOBSA-N 0 1 296.754 1.135 20 10 CDCDMN COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)[O-])CC2)cc1 ZINC000328593410 374711151 /nfs/dbraw/zinc/71/11/51/374711151.db2.gz YUFRIMLRZAHGQK-GFCCVEGCSA-N 0 1 278.352 1.680 20 10 CDCDMN CN(CC(=O)NC(=O)NC(C)(C)C)Cc1ccccc1O ZINC000109773363 390648101 /nfs/dbraw/zinc/64/81/01/390648101.db2.gz JBVXMGVCTNQPAK-UHFFFAOYSA-N 0 1 293.367 1.448 20 10 CDCDMN CN1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000139743899 390944328 /nfs/dbraw/zinc/94/43/28/390944328.db2.gz YWWUIBIVZKOVBV-UHFFFAOYSA-N 0 1 285.185 1.902 20 10 CDCDMN CNC(=O)[C@@H]1CCCCN1Cc1cccc(OC)c1O ZINC000133051171 390900754 /nfs/dbraw/zinc/90/07/54/390900754.db2.gz DZLQLCXWUMNROF-LBPRGKRZSA-N 0 1 278.352 1.501 20 10 CDCDMN COc1ccc(O)c(C[N@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000179581603 391212561 /nfs/dbraw/zinc/21/25/61/391212561.db2.gz SNZFFHMTUZTVET-LBPRGKRZSA-N 0 1 264.325 1.241 20 10 CDCDMN COc1ccc(O)c(CN2CCCC[C@H]2C(N)=O)c1 ZINC000179581603 391212566 /nfs/dbraw/zinc/21/25/66/391212566.db2.gz SNZFFHMTUZTVET-LBPRGKRZSA-N 0 1 264.325 1.241 20 10 CDCDMN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cccc(OC)c1O ZINC000093899379 327146053 /nfs/dbraw/zinc/14/60/53/327146053.db2.gz SMFBWAWIONKSAX-JTQLQIEISA-N 0 1 266.341 1.215 20 10 CDCDMN COc1ccc(O)c(CN2CCNC(=O)C[C@@H]2C)c1 ZINC000377888443 329033354 /nfs/dbraw/zinc/03/33/54/329033354.db2.gz JTZKFWKLKYRPCM-JTQLQIEISA-N 0 1 264.325 1.111 20 10 CDCDMN C[NH+](C)[C@H]1CCCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000276664076 522095852 /nfs/dbraw/zinc/09/58/52/522095852.db2.gz YHYPLWXASLFTEP-VIFPVBQESA-N 0 1 282.315 1.403 20 10 CDCDMN CN(C)c1ccc(CN(C)CC(=O)N2CCOCC2)cc1 ZINC000102675103 522170264 /nfs/dbraw/zinc/17/02/64/522170264.db2.gz RFCRUQNAPLBCGT-UHFFFAOYSA-N 0 1 291.395 1.043 20 10 CDCDMN COCCN(CCO)Cc1c(O)cccc1Cl ZINC000130892240 523706837 /nfs/dbraw/zinc/70/68/37/523706837.db2.gz HJZQJDBZDPZUCS-UHFFFAOYSA-N 0 1 259.733 1.486 20 10 CDCDMN COCC[N@H+](CCO)Cc1c([O-])cccc1Cl ZINC000130892240 523706842 /nfs/dbraw/zinc/70/68/42/523706842.db2.gz HJZQJDBZDPZUCS-UHFFFAOYSA-N 0 1 259.733 1.486 20 10 CDCDMN COCC[N@@H+](CCO)Cc1c([O-])cccc1Cl ZINC000130892240 523706846 /nfs/dbraw/zinc/70/68/46/523706846.db2.gz HJZQJDBZDPZUCS-UHFFFAOYSA-N 0 1 259.733 1.486 20 10 CDCDMN CS(=O)(=O)C1(CNCc2ccc3c(c2)CCO3)CC1 ZINC000279671216 525100166 /nfs/dbraw/zinc/10/01/66/525100166.db2.gz HTPWWHMSTKFLPN-UHFFFAOYSA-N 0 1 281.377 1.288 20 10 CDCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)NCCF ZINC000282783118 525526962 /nfs/dbraw/zinc/52/69/62/525526962.db2.gz VWDYHQPGZXDGIR-SNVBAGLBSA-N 0 1 285.338 1.456 20 10 CDCDMN CCn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cn1 ZINC000732529966 575091114 /nfs/dbraw/zinc/09/11/14/575091114.db2.gz FHFGGTLETXFSBC-JYRVWZFOSA-N 0 1 282.303 1.364 20 10 CDCDMN C[C@H](NC(=O)CCc1nc[nH]n1)c1ccc(N(C)C)cc1 ZINC000773018698 575774765 /nfs/dbraw/zinc/77/47/65/575774765.db2.gz ZQNRSFZTCSELOZ-NSHDSACASA-N 0 1 287.367 1.681 20 10 CDCDMN [O-]c1ccc(F)cc1C[NH2+][C@H](CCO)C1CCOCC1 ZINC000764678241 575933596 /nfs/dbraw/zinc/93/35/96/575933596.db2.gz LJFXBEMGQZRIHQ-CQSZACIVSA-N 0 1 283.343 1.799 20 10 CDCDMN CCOCCN1CCN(Cc2c(O)cccc2OC)CC1 ZINC000768243287 576266442 /nfs/dbraw/zinc/26/64/42/576266442.db2.gz JVHSJBQBHVSZBC-UHFFFAOYSA-N 0 1 294.395 1.555 20 10 CDCDMN CCOc1ccc(O)c(C[N@@H+](C)C[C@@H](C)C(=O)[O-])c1 ZINC000833662976 604584751 /nfs/dbraw/zinc/58/47/51/604584751.db2.gz PLZAVXCTJFPIMS-SNVBAGLBSA-N 0 1 267.325 1.943 20 10 CDCDMN CCOc1ccc(O)c(C[N@@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000833662975 604584765 /nfs/dbraw/zinc/58/47/65/604584765.db2.gz PLZAVXCTJFPIMS-JTQLQIEISA-N 0 1 267.325 1.943 20 10 CDCDMN CCOc1ccc(O)c(C[NH+]2CCN(C(=O)[O-])CC2)c1 ZINC000833662360 604593053 /nfs/dbraw/zinc/59/30/53/604593053.db2.gz CMAPWDFZMHAEQN-UHFFFAOYSA-N 0 1 280.324 1.587 20 10 CDCDMN COc1cccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1O ZINC000086728429 604619572 /nfs/dbraw/zinc/61/95/72/604619572.db2.gz ASOUZVPXBDDZEB-NSHDSACASA-N 0 1 265.309 1.697 20 10 CDCDMN C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000893945902 618212043 /nfs/dbraw/zinc/21/20/43/618212043.db2.gz JSKYUJNCGZMCCO-RKDXNWHRSA-N 0 1 284.306 1.756 20 10 CDCDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cnnn1C ZINC000924861079 618393629 /nfs/dbraw/zinc/39/36/29/618393629.db2.gz HJFFUMMXXCGCKU-SNVBAGLBSA-N 0 1 277.347 1.871 20 10 CDCDMN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894536532 618954674 /nfs/dbraw/zinc/95/46/74/618954674.db2.gz AFIPUCDRUGJVKE-WLTAIBSBSA-N 0 1 296.317 1.756 20 10 CDCDMN CC[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCNC1=O ZINC000894664708 619007976 /nfs/dbraw/zinc/00/79/76/619007976.db2.gz YZPWOZPALBWHHL-NSHDSACASA-N 0 1 270.279 1.381 20 10 CDCDMN CCCOc1ccc(CNCC(=O)N(C)OC)cc1C ZINC000895046617 619217861 /nfs/dbraw/zinc/21/78/61/619217861.db2.gz QFDAVGNFHYHJOH-UHFFFAOYSA-N 0 1 280.368 1.893 20 10 CDCDMN COC(=O)[C@H](C)NCc1cccc(Br)c1O ZINC000042412105 623925958 /nfs/dbraw/zinc/92/59/58/623925958.db2.gz WVADXZZJMFJJSG-ZETCQYMHSA-N 0 1 288.141 1.806 20 10 CDCDMN COCC[N@H+](CCC(=O)[O-])Cc1cccc(F)c1O ZINC000904269627 626235514 /nfs/dbraw/zinc/23/55/14/626235514.db2.gz NONZDYQBNJGRNE-UHFFFAOYSA-N 0 1 271.288 1.454 20 10 CDCDMN COCC[N@@H+](CCC(=O)[O-])Cc1cccc(F)c1O ZINC000904269627 626235518 /nfs/dbraw/zinc/23/55/18/626235518.db2.gz NONZDYQBNJGRNE-UHFFFAOYSA-N 0 1 271.288 1.454 20 10 CDCDMN Nc1[nH]c2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2[nH+]1 ZINC001170322648 1162337093 /nfs/dbraw/zinc/33/70/93/1162337093.db2.gz KHORURVIOKZWQT-UHFFFAOYSA-N 0 1 298.302 1.851 20 10 CDCDMN Cc1cc(C)c(O)c(C[N@H+]2CCOC[C@H]2CC(=O)[O-])c1 ZINC001607620818 1164244270 /nfs/dbraw/zinc/24/42/70/1164244270.db2.gz JPGQHYWTSXADEY-CYBMUJFWSA-N 0 1 279.336 1.685 20 10 CDCDMN Nc1ccc(C[N@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC001608272772 1164475451 /nfs/dbraw/zinc/47/54/51/1164475451.db2.gz LAOKTVUGWSITIY-LBPRGKRZSA-N 0 1 287.323 1.006 20 10 CDCDMN O=C([O-])[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2O)C1 ZINC001608822976 1164652246 /nfs/dbraw/zinc/65/22/46/1164652246.db2.gz QBJXPDQURLABAZ-WRXNHJIOSA-N 0 1 257.236 1.623 20 10 CDCDMN CCC[N@@H+](CC(N)=O)Cc1cc(Cl)c(F)cc1[O-] ZINC000816616619 726100534 /nfs/dbraw/zinc/10/05/34/726100534.db2.gz BHORCZKBAKVWOX-UHFFFAOYSA-N 0 1 274.723 1.882 20 10 CDCDMN COC[C@H](O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816601116 726176709 /nfs/dbraw/zinc/17/67/09/726176709.db2.gz SAMWOJIXXFOVOQ-CYBMUJFWSA-N 0 1 261.321 1.642 20 10 CDCDMN COc1c([O-])c(C[N@@H+](C)CC2CC(O)C2)ccc1[N+](=O)[O-] ZINC000278319831 726010732 /nfs/dbraw/zinc/01/07/32/726010732.db2.gz GANDXGDYHLTIBG-UHFFFAOYSA-N 0 1 296.323 1.512 20 10 CDCDMN CCN(CC)C(=O)CNCc1ccc2c(c1)CCCO2 ZINC000921596655 726017473 /nfs/dbraw/zinc/01/74/73/726017473.db2.gz ZVQKGQHLVJDAIK-UHFFFAOYSA-N 0 1 276.380 1.970 20 10 CDCDMN CC(C)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000882662560 726017583 /nfs/dbraw/zinc/01/75/83/726017583.db2.gz BVYRNMVFPFPNBZ-UHFFFAOYSA-N 0 1 290.411 1.646 20 10 CDCDMN CCCN(CC(N)=O)Cc1ccc(N(C)C)c(C)c1 ZINC000815120348 726066891 /nfs/dbraw/zinc/06/68/91/726066891.db2.gz HDNQMMKNQWLMPK-UHFFFAOYSA-N 0 1 263.385 1.758 20 10 CDCDMN NC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816480653 726135313 /nfs/dbraw/zinc/13/53/13/726135313.db2.gz SQDVBFQYSODJSS-ZETCQYMHSA-N 0 1 272.707 1.492 20 10 CDCDMN CN(C)c1cc(F)c(CN[C@H]2C[C@H](O)C2)cc1F ZINC000858196216 726146132 /nfs/dbraw/zinc/14/61/32/726146132.db2.gz KCPLHYMDRRUDEK-MGCOHNPYSA-N 0 1 256.296 1.644 20 10 CDCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H](CO)C1 ZINC000092764108 726348101 /nfs/dbraw/zinc/34/81/01/726348101.db2.gz XBECTEBRQKMCTD-VIFPVBQESA-N 0 1 286.169 1.969 20 10 CDCDMN CCc1nc(CNC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000832976232 726889660 /nfs/dbraw/zinc/88/96/60/726889660.db2.gz YXDSQWFDQXBKLD-UHFFFAOYSA-N 0 1 252.299 1.064 20 10 CDCDMN Cc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)c(O)c1 ZINC000876812276 726903974 /nfs/dbraw/zinc/90/39/74/726903974.db2.gz KNFYWYMMECUVLF-YPMHNXCESA-N 0 1 251.326 1.282 20 10 CDCDMN Cc1ccc(CN2C[C@@H](CO)OC[C@H]2C)c(O)c1 ZINC000876812276 726903977 /nfs/dbraw/zinc/90/39/77/726903977.db2.gz KNFYWYMMECUVLF-YPMHNXCESA-N 0 1 251.326 1.282 20 10 CDCDMN CNC(=O)N1CCN(Cc2c(C)cccc2O)CC1 ZINC000876769054 726913779 /nfs/dbraw/zinc/91/37/79/726913779.db2.gz QTRJPMQRJTWASQ-UHFFFAOYSA-N 0 1 263.341 1.158 20 10 CDCDMN CC[C@H](C(N)=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844399443 727034014 /nfs/dbraw/zinc/03/40/14/727034014.db2.gz JLTLICNGNDVEDU-CQSZACIVSA-N 0 1 279.384 1.327 20 10 CDCDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000874042347 727180476 /nfs/dbraw/zinc/18/04/76/727180476.db2.gz CQKUWUDYJZVBIP-OAHLLOKOSA-N 0 1 279.336 1.624 20 10 CDCDMN C[C@H]1CO[C@H](CO)CN1Cc1cccc(Cl)c1O ZINC000305758323 727192119 /nfs/dbraw/zinc/19/21/19/727192119.db2.gz BCERCWCVIICRRN-ONGXEEELSA-N 0 1 271.744 1.627 20 10 CDCDMN Cc1cccc(O)c1CN1CC[S@@](=O)C[C@@H](C)C1 ZINC000877477450 727223668 /nfs/dbraw/zinc/22/36/68/727223668.db2.gz FDNVPIMEXWXEEX-BBATYDOGSA-N 0 1 267.394 1.901 20 10 CDCDMN O=C1CN(Cc2ccc3ccccc3c2O)CCCN1 ZINC000816496628 727298155 /nfs/dbraw/zinc/29/81/55/727298155.db2.gz QBNINSMKECDNLZ-UHFFFAOYSA-N 0 1 270.332 1.867 20 10 CDCDMN CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)[C@H](C(=O)[O-])C1 ZINC000851708260 727396334 /nfs/dbraw/zinc/39/63/34/727396334.db2.gz SYMNDQQXWUTCQL-CABCVRRESA-N 0 1 292.379 1.817 20 10 CDCDMN CC(C)[N@H+](CC(N)=O)Cc1cc(Cl)ccc1[O-] ZINC000133008845 727459136 /nfs/dbraw/zinc/45/91/36/727459136.db2.gz QJKCGZMIZJXJDL-UHFFFAOYSA-N 0 1 256.733 1.741 20 10 CDCDMN CC(C)[N@@H+](CC(N)=O)Cc1cc(Cl)ccc1[O-] ZINC000133008845 727459137 /nfs/dbraw/zinc/45/91/37/727459137.db2.gz QJKCGZMIZJXJDL-UHFFFAOYSA-N 0 1 256.733 1.741 20 10 CDCDMN CC(C)N(CC(N)=O)Cc1cc(Cl)ccc1O ZINC000133008845 727459135 /nfs/dbraw/zinc/45/91/35/727459135.db2.gz QJKCGZMIZJXJDL-UHFFFAOYSA-N 0 1 256.733 1.741 20 10 CDCDMN C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c([O-])c(O)ccc1F ZINC000857270066 727465336 /nfs/dbraw/zinc/46/53/36/727465336.db2.gz NCEOOURYDHOLEM-WPRPVWTQSA-N 0 1 282.315 1.402 20 10 CDCDMN C[C@@H](NC(=O)NC[C@H]1CCN1C)c1ccccc1O ZINC000925430918 727471075 /nfs/dbraw/zinc/47/10/75/727471075.db2.gz ZTRGZWZPZNVVJX-GHMZBOCLSA-N 0 1 263.341 1.457 20 10 CDCDMN COc1ccc(N2CCN(C[C@@H]3CCC(=O)O3)CC2)cc1 ZINC000821387233 727828605 /nfs/dbraw/zinc/82/86/05/727828605.db2.gz RLHZDCPHFMPALU-HNNXBMFYSA-N 0 1 290.363 1.523 20 10 CDCDMN CN(C)c1ccc(CNC(=O)CCc2c[nH]nn2)cc1 ZINC000864574492 728158120 /nfs/dbraw/zinc/15/81/20/728158120.db2.gz BCCPGTMGTZWRKO-UHFFFAOYSA-N 0 1 273.340 1.120 20 10 CDCDMN CN(C)c1ccc(CNC(=O)CCc2cnn[nH]2)cc1 ZINC000864574492 728158131 /nfs/dbraw/zinc/15/81/31/728158131.db2.gz BCCPGTMGTZWRKO-UHFFFAOYSA-N 0 1 273.340 1.120 20 10 CDCDMN Cc1ccc(CNCc2nnc(C3CC3)[nH]2)c(O)c1 ZINC000877560065 1166058316 /nfs/dbraw/zinc/05/83/16/1166058316.db2.gz FRMQVONCRFUDMU-UHFFFAOYSA-N 0 1 258.325 1.986 20 10 CDCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1Cl ZINC000826064665 1166231663 /nfs/dbraw/zinc/23/16/63/1166231663.db2.gz MUUBBZZZVMBAOJ-AOOOYVTPSA-N 0 1 294.738 1.058 20 10 CDCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1Cl ZINC000826064665 1166231671 /nfs/dbraw/zinc/23/16/71/1166231671.db2.gz MUUBBZZZVMBAOJ-AOOOYVTPSA-N 0 1 294.738 1.058 20 10 CDCDMN COc1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC000093612239 908268730 /nfs/dbraw/zinc/26/87/30/908268730.db2.gz LMWYGVBGRSCZSY-LBPRGKRZSA-N 0 1 291.269 1.900 20 10 CDCDMN O=C1NCC[C@]12CCC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001137834686 936417677 /nfs/dbraw/zinc/41/76/77/936417677.db2.gz PNTBERPFGWNFQZ-HNNXBMFYSA-N 0 1 278.327 1.633 20 10 CDCDMN CCO[C@@H]1C[C@H]2CN(Cc3c([O-])cccc3F)CC[N@@H+]2C1 ZINC001137836102 936419370 /nfs/dbraw/zinc/41/93/70/936419370.db2.gz VOPZLNKUNVYJFT-QWHCGFSZSA-N 0 1 294.370 1.826 20 10 CDCDMN CCO[C@@H]1C[C@H]2CN(Cc3c([O-])cccc3F)CC[N@H+]2C1 ZINC001137836102 936419372 /nfs/dbraw/zinc/41/93/72/936419372.db2.gz VOPZLNKUNVYJFT-QWHCGFSZSA-N 0 1 294.370 1.826 20 10 CDCDMN C[NH+](C)CCCCC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001184061283 918856024 /nfs/dbraw/zinc/85/60/24/918856024.db2.gz HWVDQYIIIBYCFZ-UHFFFAOYSA-N 0 1 294.351 1.129 20 10 CDCDMN CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000831944232 936548409 /nfs/dbraw/zinc/54/84/09/936548409.db2.gz RDKWQSLBIZKMPG-JTQLQIEISA-N 0 1 296.342 1.841 20 10 CDCDMN CCC[N@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000831944232 936548410 /nfs/dbraw/zinc/54/84/10/936548410.db2.gz RDKWQSLBIZKMPG-JTQLQIEISA-N 0 1 296.342 1.841 20 10 CDCDMN COC(=O)N1CCN(Cc2c(C)ccc(C)c2O)CC1 ZINC001140178819 936684383 /nfs/dbraw/zinc/68/43/83/936684383.db2.gz YLPFENYQHFDOJH-UHFFFAOYSA-N 0 1 278.352 1.893 20 10 CDCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC001140466200 936712518 /nfs/dbraw/zinc/71/25/18/936712518.db2.gz AWRCEBPGIBSFSH-AWEZNQCLSA-N 0 1 296.798 1.952 20 10 CDCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001140466200 936712519 /nfs/dbraw/zinc/71/25/19/936712519.db2.gz AWRCEBPGIBSFSH-AWEZNQCLSA-N 0 1 296.798 1.952 20 10 CDCDMN COC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2O)CCCO1 ZINC001140464606 936712585 /nfs/dbraw/zinc/71/25/85/936712585.db2.gz WUKNQNFFMPYCEK-ZDUSSCGKSA-N 0 1 299.754 1.810 20 10 CDCDMN C[C@H]1C[C@@H](CO)[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140582380 936726953 /nfs/dbraw/zinc/72/69/53/936726953.db2.gz HCOKGOIMFQPJDY-WPRPVWTQSA-N 0 1 257.280 1.873 20 10 CDCDMN O=C1NCC[C@@]12CC[N@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001140582526 936727297 /nfs/dbraw/zinc/72/72/97/936727297.db2.gz JOSZRQSLVRQVEE-AWEZNQCLSA-N 0 1 282.290 1.382 20 10 CDCDMN Cc1ccc(O)c(CN2CCc3cnn(C)c3C2)c1 ZINC001140622835 936732037 /nfs/dbraw/zinc/73/20/37/936732037.db2.gz BFOBVIYJPYSHCS-UHFFFAOYSA-N 0 1 257.337 1.992 20 10 CDCDMN CC(=O)N1CCN(Cc2cc(C)ccc2O)C[C@H]1C ZINC001140623182 936732250 /nfs/dbraw/zinc/73/22/50/936732250.db2.gz IVXRGOSIRMPBFH-GFCCVEGCSA-N 0 1 262.353 1.753 20 10 CDCDMN O[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140662125 936736754 /nfs/dbraw/zinc/73/67/54/936736754.db2.gz GLEJONJWVHZHCW-CQSZACIVSA-N 0 1 280.343 1.229 20 10 CDCDMN Oc1ccc(O)c(CN2CCN(c3ccccn3)CC2)c1 ZINC001141156177 936821250 /nfs/dbraw/zinc/82/12/50/936821250.db2.gz RZYCNUWMKILLNU-UHFFFAOYSA-N 0 1 285.347 1.815 20 10 CDCDMN N=C(NC(=O)c1ccc(O)c([O-])c1Cl)SCC[NH3+] 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Cc1ccc(CN2CC3(CCN3Cc3cn[nH]c3)C2)c(O)c1 ZINC001276169785 932592018 /nfs/dbraw/zinc/59/20/18/932592018.db2.gz WLWUKERNUUXIMX-UHFFFAOYSA-N 0 1 298.390 1.884 20 10 CDCDMN O=C(N=c1cc[nH]c2c1CCC2)c1cccc(O)c1O ZINC001148212185 932669143 /nfs/dbraw/zinc/66/91/43/932669143.db2.gz QCKOUWVRXSXELB-UHFFFAOYSA-N 0 1 270.288 1.656 20 10 CDCDMN COc1cccc(CN2CCC(F)(F)[C@@H](N)C2)c1O ZINC001206656961 937657191 /nfs/dbraw/zinc/65/71/91/937657191.db2.gz NQDVENZFIWPOFD-NSHDSACASA-N 0 1 272.295 1.569 20 10 CDCDMN Cc1cccc(CNc2ncc3c(n2)CNC3)c1O ZINC001160769443 938825811 /nfs/dbraw/zinc/82/58/11/938825811.db2.gz NTXZPLXCUQRFPI-UHFFFAOYSA-N 0 1 256.309 1.706 20 10 CDCDMN CNc1ccccc1NCc1noc2c1CNCC2 ZINC001163134705 939209759 /nfs/dbraw/zinc/20/97/59/939209759.db2.gz BKESZNZNTZMQBT-UHFFFAOYSA-N 0 1 258.325 1.974 20 10 CDCDMN Oc1ccccc1CN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001203550188 939692834 /nfs/dbraw/zinc/69/28/34/939692834.db2.gz KZZHMORJHWOAEL-STQMWFEESA-N 0 1 257.280 1.637 20 10 CDCDMN 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292.379 1.900 20 10 CDCDMN CCc1cc(CNC(=O)NCc2ccc(N)cc2)n[nH]1 ZINC001357208643 969551614 /nfs/dbraw/zinc/55/16/14/969551614.db2.gz AXOIKKISDSOZDJ-UHFFFAOYSA-N 0 1 273.340 1.554 20 10 CDCDMN C[C@](O)(C[NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC001609972935 970625729 /nfs/dbraw/zinc/62/57/29/970625729.db2.gz SNGRSHPJAFMCNB-NSHDSACASA-N 0 1 277.679 1.110 20 10 CDCDMN CC1(C(=O)[O-])C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000708090054 977414953 /nfs/dbraw/zinc/41/49/53/977414953.db2.gz NDOQWWYHZCXNKS-UHFFFAOYSA-N 0 1 257.236 1.577 20 10 CDCDMN C[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C[NH2+]1 ZINC001576666343 1171483439 /nfs/dbraw/zinc/48/34/39/1171483439.db2.gz MOMBSSSLJRMVTC-KOLCDFICSA-N 0 1 297.786 1.985 20 10 CDCDMN Cc1cccc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1O ZINC000180259646 357256599 /nfs/dbraw/zinc/25/65/99/357256599.db2.gz LHERABFFINPTAN-NWDGAFQWSA-N 0 1 285.409 1.954 20 10 CDCDMN Cc1cccc(CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1O ZINC000180259646 357256601 /nfs/dbraw/zinc/25/66/01/357256601.db2.gz LHERABFFINPTAN-NWDGAFQWSA-N 0 1 285.409 1.954 20 10 CDCDMN CN(C)c1ccc(CNC(=O)N(C)Cc2nnc[nH]2)cc1 ZINC000267910606 363927667 /nfs/dbraw/zinc/92/76/67/363927667.db2.gz LUNXCWNSQLBXCM-UHFFFAOYSA-N 0 1 288.355 1.212 20 10 CDCDMN C[C@H](CO)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284737766 368545369 /nfs/dbraw/zinc/54/53/69/368545369.db2.gz KRXGCCQZVCDDHT-CYBMUJFWSA-N 0 1 293.411 1.024 20 10 CDCDMN C[NH+](C)C1(CNC(=O)c2c(F)ccc(O)c2[O-])CCC1 ZINC000296087484 371598855 /nfs/dbraw/zinc/59/88/55/371598855.db2.gz WISJQEZZRUUYGG-UHFFFAOYSA-N 0 1 282.315 1.451 20 10 CDCDMN CCC[C@H]1C(=O)NCCN1Cc1cc(C)ccc1O ZINC000093771764 390904380 /nfs/dbraw/zinc/90/43/80/390904380.db2.gz WYGCTPBDNXZFKT-ZDUSSCGKSA-N 0 1 262.353 1.801 20 10 CDCDMN CC1CCN(CC(=O)NCc2ccccc2O)CC1 ZINC000269100160 391239024 /nfs/dbraw/zinc/23/90/24/391239024.db2.gz FYFSAFXFWSSQLF-UHFFFAOYSA-N 0 1 262.353 1.740 20 10 CDCDMN CC[C@@H](C)N1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126387182 260349799 /nfs/dbraw/zinc/34/97/99/260349799.db2.gz OJXIPGWCKDZEHN-LLVKDONJSA-N 0 1 278.352 1.654 20 10 CDCDMN NC(=O)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000368134749 267147219 /nfs/dbraw/zinc/14/72/19/267147219.db2.gz NFRMSMLRQOBLEN-SECBINFHSA-N 0 1 268.744 1.743 20 10 CDCDMN NC(=O)C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000368134749 267147221 /nfs/dbraw/zinc/14/72/21/267147221.db2.gz NFRMSMLRQOBLEN-SECBINFHSA-N 0 1 268.744 1.743 20 10 CDCDMN COCC[C@@H]1COCCN1Cc1ccccc1O ZINC000291024148 521889461 /nfs/dbraw/zinc/88/94/61/521889461.db2.gz AORWYUINXRRJAH-CYBMUJFWSA-N 0 1 251.326 1.630 20 10 CDCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2CO)c1O ZINC000050150219 518285437 /nfs/dbraw/zinc/28/54/37/518285437.db2.gz RWIRDVNQNHDTJQ-GFCCVEGCSA-N 0 1 267.300 1.691 20 10 CDCDMN CC[N@H+](CCO)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000050134560 521122027 /nfs/dbraw/zinc/12/20/27/521122027.db2.gz SOWOZDUSEZSGJI-UHFFFAOYSA-N 0 1 255.289 1.548 20 10 CDCDMN CC[N@@H+](CCO)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000050134560 521122036 /nfs/dbraw/zinc/12/20/36/521122036.db2.gz SOWOZDUSEZSGJI-UHFFFAOYSA-N 0 1 255.289 1.548 20 10 CDCDMN CCN(CCO)Cc1cc(F)cc(C(C)=O)c1O ZINC000050134560 521122044 /nfs/dbraw/zinc/12/20/44/521122044.db2.gz SOWOZDUSEZSGJI-UHFFFAOYSA-N 0 1 255.289 1.548 20 10 CDCDMN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](C)CO ZINC000292736358 521329407 /nfs/dbraw/zinc/32/94/07/521329407.db2.gz GXDVPWKJGWNMHW-SECBINFHSA-N 0 1 284.312 1.512 20 10 CDCDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](C)CO ZINC000292736358 521329413 /nfs/dbraw/zinc/32/94/13/521329413.db2.gz GXDVPWKJGWNMHW-SECBINFHSA-N 0 1 284.312 1.512 20 10 CDCDMN C[C@H](CO)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000289444474 524539903 /nfs/dbraw/zinc/53/99/03/524539903.db2.gz MGXJSFJVRWIVFS-MRVPVSSYSA-N 0 1 274.158 1.967 20 10 CDCDMN C[C@H](CO)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000289444474 524539905 /nfs/dbraw/zinc/53/99/05/524539905.db2.gz MGXJSFJVRWIVFS-MRVPVSSYSA-N 0 1 274.158 1.967 20 10 CDCDMN Cc1cc(CN(C)[C@H]2CCN(C)C2=O)ccc1N(C)C ZINC000293034027 524668325 /nfs/dbraw/zinc/66/83/25/524668325.db2.gz JDKDNTABQLZRDG-HNNXBMFYSA-N 0 1 275.396 1.724 20 10 CDCDMN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1C ZINC000274915921 524892569 /nfs/dbraw/zinc/89/25/69/524892569.db2.gz JZSNTHGDRKXIFY-JQWIXIFHSA-N 0 1 278.352 1.239 20 10 CDCDMN CCN(C)c1ccc(CN(C)[C@@H]2CCNC2=O)cc1 ZINC000773810954 575839383 /nfs/dbraw/zinc/83/93/83/575839383.db2.gz QJCNGXTXNISZRL-CQSZACIVSA-N 0 1 261.369 1.463 20 10 CDCDMN CC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H](C)O1 ZINC000768447267 576284204 /nfs/dbraw/zinc/28/42/04/576284204.db2.gz NXTBZXSBJWEKSM-HCKVZZMMSA-N 0 1 293.363 1.817 20 10 CDCDMN C[C@H](CNCc1ccc(N(C)C)c(F)c1)S(C)(=O)=O ZINC000754086339 576879014 /nfs/dbraw/zinc/87/90/14/576879014.db2.gz XDFOGIWNHWBLFW-SNVBAGLBSA-N 0 1 288.388 1.414 20 10 CDCDMN CN(C)c1ccc(C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821589535 599396433 /nfs/dbraw/zinc/39/64/33/599396433.db2.gz RYKJQXYETUTCBD-UHFFFAOYSA-N 0 1 298.350 1.816 20 10 CDCDMN CCC[N@@H+](CC(=O)[O-])Cc1c(O)cccc1OC ZINC000829472957 604475471 /nfs/dbraw/zinc/47/54/71/604475471.db2.gz HZQCGUZOMBFOBG-UHFFFAOYSA-N 0 1 253.298 1.697 20 10 CDCDMN CN(CC(=O)NC1CC1)Cc1cc(F)cc(F)c1O ZINC000893912542 618170397 /nfs/dbraw/zinc/17/03/97/618170397.db2.gz YHFWMDRWSJLWNW-UHFFFAOYSA-N 0 1 270.279 1.381 20 10 CDCDMN Oc1c(F)cc(F)cc1CN1CCC2(C1)OCCO2 ZINC000893995534 618236146 /nfs/dbraw/zinc/23/61/46/618236146.db2.gz NATWRNRPETZLJI-UHFFFAOYSA-N 0 1 271.263 1.619 20 10 CDCDMN O=C1CN(Cc2cc(F)cc(F)c2O)[C@H]2CCCC[C@@H]2N1 ZINC000893984074 618237472 /nfs/dbraw/zinc/23/74/72/618237472.db2.gz KQOIBAAZGYJPDK-STQMWFEESA-N 0 1 296.317 1.913 20 10 CDCDMN COc1ccc(CN2CCNC(=O)C[C@H]2C)c(O)c1OC ZINC000894491360 618917087 /nfs/dbraw/zinc/91/70/87/618917087.db2.gz GRNJLPJPGUXZPY-SNVBAGLBSA-N 0 1 294.351 1.120 20 10 CDCDMN Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@H](CC(=O)[O-])C1 ZINC000901500614 624303748 /nfs/dbraw/zinc/30/37/48/624303748.db2.gz COSHJDVEMJGULZ-HNNXBMFYSA-N 0 1 292.379 1.737 20 10 CDCDMN C[C@H](NC(=O)Cc1cnc[nH]1)c1ccc(N(C)C)cc1 ZINC000907491113 627688440 /nfs/dbraw/zinc/68/84/40/627688440.db2.gz ADXWDSWDEXPWSI-NSHDSACASA-N 0 1 272.352 1.896 20 10 CDCDMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000913535552 630529760 /nfs/dbraw/zinc/52/97/60/630529760.db2.gz NBRZIRMXVYXXMN-IZRZCGHWSA-N 0 1 288.347 1.416 20 10 CDCDMN CCNC(=O)CN(CC)Cc1cc(C)cc(OC)c1O ZINC000917068044 632140548 /nfs/dbraw/zinc/14/05/48/632140548.db2.gz LWAHIKFDLJVDQT-UHFFFAOYSA-N 0 1 280.368 1.667 20 10 CDCDMN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC001604496075 1163205706 /nfs/dbraw/zinc/20/57/06/1163205706.db2.gz DONRPYBHFZDIKG-OAHLLOKOSA-N 0 1 293.319 1.808 20 10 CDCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1C ZINC001607700316 1164274280 /nfs/dbraw/zinc/27/42/80/1164274280.db2.gz VPSLZVJRULIJHL-OCCSQVGLSA-N 0 1 279.336 1.419 20 10 CDCDMN Cc1cc(N(C)C)ccc1CN1C[C@@H](CO)OC[C@H]1C ZINC000840921573 736515324 /nfs/dbraw/zinc/51/53/24/736515324.db2.gz WWCMKHPJTAFWMU-CJNGLKHVSA-N 0 1 278.396 1.643 20 10 CDCDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(F)ccc1O ZINC000844933644 736680152 /nfs/dbraw/zinc/68/01/52/736680152.db2.gz GTMGERWPBDRTIJ-LDYMZIIASA-N 0 1 253.273 1.969 20 10 CDCDMN CNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000808478876 736829259 /nfs/dbraw/zinc/82/92/59/736829259.db2.gz CKBLOSGVIRJUGY-UHFFFAOYSA-N 0 1 277.107 1.061 20 10 CDCDMN C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H](CO)O1 ZINC000792181211 736853503 /nfs/dbraw/zinc/85/35/03/736853503.db2.gz YAAIRAULMCDDJK-DTWKUNHWSA-N 0 1 289.734 1.766 20 10 CDCDMN C[N@@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CCC1 ZINC000846248558 737430117 /nfs/dbraw/zinc/43/01/17/737430117.db2.gz ZDDUTMFTIUMFGA-UHFFFAOYSA-N 0 1 276.296 1.117 20 10 CDCDMN Cn1nnc2c1CC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C2 ZINC000848567647 737709593 /nfs/dbraw/zinc/70/95/93/737709593.db2.gz YRVJAXPVZSGZGE-NSHDSACASA-N 0 1 292.770 1.821 20 10 CDCDMN COc1c([O-])c(C[N@H+](C)C[C@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000809752965 738031205 /nfs/dbraw/zinc/03/12/05/738031205.db2.gz YDAFVOBRGWXGSA-LBPRGKRZSA-N 0 1 296.323 1.512 20 10 CDCDMN COc1c([O-])c(C[N@@H+](C)C[C@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000809752965 738031212 /nfs/dbraw/zinc/03/12/12/738031212.db2.gz YDAFVOBRGWXGSA-LBPRGKRZSA-N 0 1 296.323 1.512 20 10 CDCDMN O=S1(=O)CCC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000083794724 738382785 /nfs/dbraw/zinc/38/27/85/738382785.db2.gz FTTPWYGVWZWZRL-VIFPVBQESA-N 0 1 289.784 1.712 20 10 CDCDMN [O-]c1c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)ccc2ccccc21 ZINC000816513425 738813252 /nfs/dbraw/zinc/81/32/52/738813252.db2.gz QDGUKRZHOQIEOL-OKILXGFUSA-N 0 1 259.305 1.083 20 10 CDCDMN [O-]c1c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)ccc2ccccc21 ZINC000816513425 738813257 /nfs/dbraw/zinc/81/32/57/738813257.db2.gz QDGUKRZHOQIEOL-OKILXGFUSA-N 0 1 259.305 1.083 20 10 CDCDMN CN[C@H](C)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880995575 738903023 /nfs/dbraw/zinc/90/30/23/738903023.db2.gz BRLYAUVXYUJFGU-MRVPVSSYSA-N 0 1 292.314 1.654 20 10 CDCDMN C[S@@](=O)CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000116918977 736388792 /nfs/dbraw/zinc/38/87/92/736388792.db2.gz WDQQAIZFTJJUNU-INIZCTEOSA-N 0 1 261.774 1.904 20 10 CDCDMN CCOc1ccc(O)c(CN2CC[C@](F)(CO)C2)c1 ZINC000802660455 736504286 /nfs/dbraw/zinc/50/42/86/736504286.db2.gz LVVOLBKGQKGSHA-CQSZACIVSA-N 0 1 269.316 1.697 20 10 CDCDMN NC(=O)[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1O ZINC000824960491 736870459 /nfs/dbraw/zinc/87/04/59/736870459.db2.gz XFOPRVFCWPKUSM-CQSZACIVSA-N 0 1 270.332 1.995 20 10 CDCDMN NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC000824960491 736870463 /nfs/dbraw/zinc/87/04/63/736870463.db2.gz XFOPRVFCWPKUSM-CQSZACIVSA-N 0 1 270.332 1.995 20 10 CDCDMN NC(=O)[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC000824960491 736870467 /nfs/dbraw/zinc/87/04/67/736870467.db2.gz XFOPRVFCWPKUSM-CQSZACIVSA-N 0 1 270.332 1.995 20 10 CDCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@@H]1COCCO1 ZINC000853556978 736900718 /nfs/dbraw/zinc/90/07/18/736900718.db2.gz GLWNRJKVEYGXNP-CYBMUJFWSA-N 0 1 288.347 1.788 20 10 CDCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)C[C@@H]1COCCO1 ZINC000853556978 736900721 /nfs/dbraw/zinc/90/07/21/736900721.db2.gz GLWNRJKVEYGXNP-CYBMUJFWSA-N 0 1 288.347 1.788 20 10 CDCDMN CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000846273598 736990994 /nfs/dbraw/zinc/99/09/94/736990994.db2.gz ZJWIDVBBZVLFPI-CQSZACIVSA-N 0 1 278.352 1.428 20 10 CDCDMN CCN(C)c1ccc(C[N@H+]2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000846273598 736991005 /nfs/dbraw/zinc/99/10/05/736991005.db2.gz ZJWIDVBBZVLFPI-CQSZACIVSA-N 0 1 278.352 1.428 20 10 CDCDMN C[N@H+](CCOCCO)Cc1cc(Cl)ccc1[O-] ZINC000800545411 737050813 /nfs/dbraw/zinc/05/08/13/737050813.db2.gz QKAVEBRFFCUOIY-UHFFFAOYSA-N 0 1 259.733 1.486 20 10 CDCDMN C[N@@H+](CCOCCO)Cc1cc(Cl)ccc1[O-] ZINC000800545411 737050816 /nfs/dbraw/zinc/05/08/16/737050816.db2.gz QKAVEBRFFCUOIY-UHFFFAOYSA-N 0 1 259.733 1.486 20 10 CDCDMN COC[C@H](CCO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825292610 737073633 /nfs/dbraw/zinc/07/36/33/737073633.db2.gz ZKOVSIIGTTYWKY-NSHDSACASA-N 0 1 273.760 1.841 20 10 CDCDMN Cc1cccc(O)c1CN1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000877548605 737273949 /nfs/dbraw/zinc/27/39/49/737273949.db2.gz NPIXPZVZXRGHBN-CYBMUJFWSA-N 0 1 297.420 1.957 20 10 CDCDMN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN2C)c1 ZINC000104901007 737861226 /nfs/dbraw/zinc/86/12/26/737861226.db2.gz RYONOWQHLZZYIR-GXFFZTMASA-N 0 1 278.352 1.672 20 10 CDCDMN C[N@H+](Cc1c(O)ccc2ccncc21)C[C@H]1COCCO1 ZINC000853556979 737982498 /nfs/dbraw/zinc/98/24/98/737982498.db2.gz GLWNRJKVEYGXNP-ZDUSSCGKSA-N 0 1 288.347 1.788 20 10 CDCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1COCCO1 ZINC000853556979 737982504 /nfs/dbraw/zinc/98/25/04/737982504.db2.gz GLWNRJKVEYGXNP-ZDUSSCGKSA-N 0 1 288.347 1.788 20 10 CDCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)C[C@H]1COCCO1 ZINC000853556979 737982512 /nfs/dbraw/zinc/98/25/12/737982512.db2.gz GLWNRJKVEYGXNP-ZDUSSCGKSA-N 0 1 288.347 1.788 20 10 CDCDMN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN2C)c1 ZINC000104901009 900779242 /nfs/dbraw/zinc/77/92/42/900779242.db2.gz 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AKYOEFRRBFIHND-OCCSQVGLSA-N 0 1 287.315 1.780 20 10 CDCDMN [O-]c1c(Cl)cccc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843125138 919750998 /nfs/dbraw/zinc/75/09/98/919750998.db2.gz XBYQBYNAXKOBKN-ZDUSSCGKSA-N 0 1 295.814 1.525 20 10 CDCDMN Cc1cnn(C)c1CNCc1ccc2c(c1)CCO2 ZINC000394086175 936674248 /nfs/dbraw/zinc/67/42/48/936674248.db2.gz NANLGKGLUGMXFA-UHFFFAOYSA-N 0 1 257.337 1.953 20 10 CDCDMN CC(C)(C)[N@H+](Cc1ccc(Cl)cc1O)C[C@@H](O)CO ZINC001140462495 936712310 /nfs/dbraw/zinc/71/23/10/936712310.db2.gz HLCGSJSICKVEMM-GFCCVEGCSA-N 0 1 287.787 1.999 20 10 CDCDMN CC(C)(C)[N@@H+](Cc1ccc(Cl)cc1[O-])C[C@@H](O)CO ZINC001140462495 936712312 /nfs/dbraw/zinc/71/23/12/936712312.db2.gz HLCGSJSICKVEMM-GFCCVEGCSA-N 0 1 287.787 1.999 20 10 CDCDMN CC(C)(C)[N@H+](Cc1ccc(Cl)cc1[O-])C[C@@H](O)CO ZINC001140462495 936712314 /nfs/dbraw/zinc/71/23/14/936712314.db2.gz HLCGSJSICKVEMM-GFCCVEGCSA-N 0 1 287.787 1.999 20 10 CDCDMN C[S@@](=O)CC[NH2+]Cc1c([O-])cccc1Br ZINC000706834341 923101639 /nfs/dbraw/zinc/10/16/39/923101639.db2.gz XOXZOHLOXBQICB-OAHLLOKOSA-N 0 1 292.198 1.623 20 10 CDCDMN C[C@H]1CO[C@@H](CO)CN1Cc1cc(Cl)cc(F)c1O ZINC000775742161 924974542 /nfs/dbraw/zinc/97/45/42/924974542.db2.gz SGWWUXCLYQBAAY-GZMMTYOYSA-N 0 1 289.734 1.766 20 10 CDCDMN C[NH2+][C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000843045558 937106577 /nfs/dbraw/zinc/10/65/77/937106577.db2.gz VCJQVAONYPEREB-SNVBAGLBSA-N 0 1 281.312 1.103 20 10 CDCDMN CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC([NH3+])C1 ZINC000843124817 937115305 /nfs/dbraw/zinc/11/53/05/937115305.db2.gz HWNGANOAYPGWOQ-UHFFFAOYSA-N 0 1 285.731 1.875 20 10 CDCDMN CO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)[C@H](C(=O)[O-])C1 ZINC000851708262 927606770 /nfs/dbraw/zinc/60/67/70/927606770.db2.gz SYMNDQQXWUTCQL-GJZGRUSLSA-N 0 1 292.379 1.817 20 10 CDCDMN CN(C)c1cc(F)c(CNC/C=C\CO)cc1F ZINC000858188607 928818593 /nfs/dbraw/zinc/81/85/93/928818593.db2.gz VUCMKHHFLBGFGM-ARJAWSKDSA-N 0 1 256.296 1.669 20 10 CDCDMN CON(C)CC[NH2+]Cc1c([O-])cccc1Br ZINC000883171112 930156242 /nfs/dbraw/zinc/15/62/42/930156242.db2.gz ORWOKLLDEWKZKG-UHFFFAOYSA-N 0 1 289.173 1.738 20 10 CDCDMN CCN1CC[C@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000883898294 930314343 /nfs/dbraw/zinc/31/43/43/930314343.db2.gz WZCNQEJQPFGUNU-LBPRGKRZSA-N 0 1 293.367 1.294 20 10 CDCDMN NC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816613257 930324707 /nfs/dbraw/zinc/32/47/07/930324707.db2.gz OCUGCIZCVWGZDH-QMMMGPOBSA-N 0 1 286.734 1.882 20 10 CDCDMN CCN(CC(=O)N(C)C)Cc1cccc(OC)c1O ZINC000133210602 930333237 /nfs/dbraw/zinc/33/32/37/930333237.db2.gz YGVOIDLTUUGBAE-UHFFFAOYSA-N 0 1 266.341 1.311 20 10 CDCDMN O=C(NCc1ccccc1O)[C@H]1CCCc2n[nH]nc21 ZINC000816912298 930394113 /nfs/dbraw/zinc/39/41/13/930394113.db2.gz RPZFGURDZXWRMW-JTQLQIEISA-N 0 1 272.308 1.247 20 10 CDCDMN COC(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000884483857 930582076 /nfs/dbraw/zinc/58/20/76/930582076.db2.gz AIPVBUJNQMJQMJ-LBPRGKRZSA-N 0 1 294.351 1.640 20 10 CDCDMN Oc1ccc(F)cc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000139745398 931008055 /nfs/dbraw/zinc/00/80/55/931008055.db2.gz OXZUTWPIUXUTEE-OAHLLOKOSA-N 0 1 294.370 1.828 20 10 CDCDMN C[C@H]1CCC[N@@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846231757 931998086 /nfs/dbraw/zinc/99/80/86/931998086.db2.gz OQRVYRZUUIHVAO-VIFPVBQESA-N 0 1 290.323 1.365 20 10 CDCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1[O-] ZINC000846960204 932172308 /nfs/dbraw/zinc/17/23/08/932172308.db2.gz MVFOSGNPWAMLRL-QWHCGFSZSA-N 0 1 281.327 1.983 20 10 CDCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001138131324 932482092 /nfs/dbraw/zinc/48/20/92/932482092.db2.gz WKEMPYYEOODEFB-GFCCVEGCSA-N 0 1 289.310 1.975 20 10 CDCDMN COc1cccc(CN2CCO[C@@H]3C[C@H](CO)C[C@H]32)c1O ZINC001203589790 939695021 /nfs/dbraw/zinc/69/50/21/939695021.db2.gz ONEYLSBHVRULSY-UXIGCNINSA-N 0 1 293.363 1.373 20 10 CDCDMN COC(=O)[C@@H]1CCCN(Cc2ccc(O)c(O)c2)[C@H]1C ZINC001203882503 939711399 /nfs/dbraw/zinc/71/13/99/939711399.db2.gz JTAFSIMSWOVIRP-CMPLNLGQSA-N 0 1 279.336 1.871 20 10 CDCDMN CN(C)c1ccc(CN2CC(N(C)[C@@H]3CCOC3)C2)cc1 ZINC001203937901 939715411 /nfs/dbraw/zinc/71/54/11/939715411.db2.gz YHQWOTNGSYKEHV-MRXNPFEDSA-N 0 1 289.423 1.658 20 10 CDCDMN COc1cc(CN2CCC[C@@](O)(CF)CC2)cc(O)c1O ZINC001204343445 939757375 /nfs/dbraw/zinc/75/73/75/939757375.db2.gz QQDLTEZZXHILNR-HNNXBMFYSA-N 0 1 299.342 1.793 20 10 CDCDMN COc1ncc(CN(C)Cc2ccccc2O)cn1 ZINC001206419566 940035923 /nfs/dbraw/zinc/03/59/23/940035923.db2.gz WUEWMPKCLVGEAO-UHFFFAOYSA-N 0 1 259.309 1.823 20 10 CDCDMN COc1cccc(CN2CC[C@@H]3C[C@@]32C(=O)N(C)C)c1O ZINC001277452598 942604626 /nfs/dbraw/zinc/60/46/26/942604626.db2.gz XCWUCQVTWSPQIW-WBMJQRKESA-N 0 1 290.363 1.453 20 10 CDCDMN O=C([O-])c1ccc(C[N@H+]2CCC3(COC3)C2)c(O)c1 ZINC001231449753 942894576 /nfs/dbraw/zinc/89/45/76/942894576.db2.gz MRNOCWSHRKZOAB-UHFFFAOYSA-N 0 1 263.293 1.313 20 10 CDCDMN COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231447832 942894952 /nfs/dbraw/zinc/89/49/52/942894952.db2.gz WRTKXEOHMUABFW-LBPRGKRZSA-N 0 1 293.319 1.618 20 10 CDCDMN COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231447832 942894957 /nfs/dbraw/zinc/89/49/57/942894957.db2.gz WRTKXEOHMUABFW-LBPRGKRZSA-N 0 1 293.319 1.618 20 10 CDCDMN CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231453248 942896168 /nfs/dbraw/zinc/89/61/68/942896168.db2.gz JISQKHLYYOCAPW-LBPRGKRZSA-N 0 1 292.335 1.191 20 10 CDCDMN COc1cc([O-])c(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc1Cl ZINC001232266362 943194732 /nfs/dbraw/zinc/19/47/32/943194732.db2.gz LYZZKLSKZAZRCU-QPUJVOFHSA-N 0 1 271.744 1.867 20 10 CDCDMN COc1cc([O-])c(C[N@H+]2C[C@H](C)[C@H](O)C2)cc1Cl ZINC001232266362 943194735 /nfs/dbraw/zinc/19/47/35/943194735.db2.gz LYZZKLSKZAZRCU-QPUJVOFHSA-N 0 1 271.744 1.867 20 10 CDCDMN CC1(C)C[N@@H+](Cc2cc(O)c(O)c(O)c2)[C@@](C)(CO)C1 ZINC001233010105 943460360 /nfs/dbraw/zinc/46/03/60/943460360.db2.gz LARKUMJVTOHZAR-OAHLLOKOSA-N 0 1 281.352 1.786 20 10 CDCDMN CC1(C)CN(Cc2cc(O)c(O)c(O)c2)[C@@](C)(CO)C1 ZINC001233010105 943460362 /nfs/dbraw/zinc/46/03/62/943460362.db2.gz LARKUMJVTOHZAR-OAHLLOKOSA-N 0 1 281.352 1.786 20 10 CDCDMN CN(Cc1cc(O)c(O)c(O)c1)C[C@H]1CCCCO1 ZINC001233013631 943461997 /nfs/dbraw/zinc/46/19/97/943461997.db2.gz RGDGQPIGVKQHNH-LLVKDONJSA-N 0 1 267.325 1.804 20 10 CDCDMN Oc1cc(CN2CC[C@@H]3COC[C@@H]3C2)cc(O)c1O ZINC001233011776 943462279 /nfs/dbraw/zinc/46/22/79/943462279.db2.gz CLPSNAUGUDXILK-MNOVXSKESA-N 0 1 265.309 1.272 20 10 CDCDMN Oc1cc(CN2CC[C@@H]3OCC[C@H]3C2)cc(O)c1O ZINC001233015781 943463610 /nfs/dbraw/zinc/46/36/10/943463610.db2.gz ASIFOJNJNFSPEE-GWCFXTLKSA-N 0 1 265.309 1.414 20 10 CDCDMN COC(=O)CN(C)Cc1ccc(OC)c(Cl)c1O ZINC001236807830 944577278 /nfs/dbraw/zinc/57/72/78/944577278.db2.gz SPUGDBJADMUEMX-UHFFFAOYSA-N 0 1 273.716 1.659 20 10 CDCDMN Cc1cc(O)cc(C)c1NS(=O)(=O)c1cn[nH]c1 ZINC001260961222 945926291 /nfs/dbraw/zinc/92/62/91/945926291.db2.gz KOMPRUMVJBEBSW-UHFFFAOYSA-N 0 1 267.310 1.533 20 10 CDCDMN O=C1OC[C@H]2CN(Cc3cc(F)cc(F)c3O)CCN12 ZINC001262109127 946440293 /nfs/dbraw/zinc/44/02/93/946440293.db2.gz KBSPMJIPQAQLNV-SNVBAGLBSA-N 0 1 284.262 1.307 20 10 CDCDMN COC(=O)Cc1ccc(CN2CC[C@H](F)C2)c(O)c1 ZINC001249178049 949440878 /nfs/dbraw/zinc/44/08/78/949440878.db2.gz ONASSGWRICMCSQ-LBPRGKRZSA-N 0 1 267.300 1.652 20 10 CDCDMN CCOC(=O)CN(Cc1nnc[nH]1)Cc1ccccc1O ZINC001327573732 954942685 /nfs/dbraw/zinc/94/26/85/954942685.db2.gz NZBBPQITPJRLJS-UHFFFAOYSA-N 0 1 290.323 1.076 20 10 CDCDMN C[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708215952 977418549 /nfs/dbraw/zinc/41/85/49/977418549.db2.gz OJNNNCBOIMQHFR-CYBMUJFWSA-N 0 1 271.263 1.967 20 10 CDCDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000708215952 977418552 /nfs/dbraw/zinc/41/85/52/977418552.db2.gz OJNNNCBOIMQHFR-CYBMUJFWSA-N 0 1 271.263 1.967 20 10 CDCDMN CO[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000267803622 363902067 /nfs/dbraw/zinc/90/20/67/363902067.db2.gz LJJKLFPRQLNTTR-HNNXBMFYSA-N 0 1 291.395 1.090 20 10 CDCDMN CN(Cc1cc(F)ccc1O)[C@H]1CCN(C)C1=O ZINC000272331319 365192571 /nfs/dbraw/zinc/19/25/71/365192571.db2.gz WNIHWEGDTCCLCQ-NSHDSACASA-N 0 1 252.289 1.194 20 10 CDCDMN C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cc(F)ccc1O ZINC000273526913 365504128 /nfs/dbraw/zinc/50/41/28/365504128.db2.gz VKPHFRXHCYTQDC-RNCFNFMXSA-N 0 1 279.315 1.649 20 10 CDCDMN CN1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CC1=O ZINC000263706494 370860608 /nfs/dbraw/zinc/86/06/08/370860608.db2.gz HBXDMYVNYPTPMD-SNVBAGLBSA-N 0 1 299.168 1.475 20 10 CDCDMN Oc1cc2c(cc1CN1CCCOCC1)OCO2 ZINC000052084587 375597417 /nfs/dbraw/zinc/59/74/17/375597417.db2.gz RAMRNDFIWMAGKV-UHFFFAOYSA-N 0 1 251.282 1.343 20 10 CDCDMN C[C@]1(NCc2cc(Cl)c(F)cc2O)CCOC1=O ZINC000293808595 378613738 /nfs/dbraw/zinc/61/37/38/378613738.db2.gz DWASBJDXQKCRGN-LBPRGKRZSA-N 0 1 273.691 1.980 20 10 CDCDMN O=C(NCCc1ccc(O)c(O)c1)c1[nH]nc2c1CCC2 ZINC000156578524 261126496 /nfs/dbraw/zinc/12/64/96/261126496.db2.gz FDRBZOAOIKCYIC-UHFFFAOYSA-N 0 1 287.319 1.282 20 10 CDCDMN CCOCc1cc(CNCc2cnnn2C)ccc1OC ZINC000288481013 263104528 /nfs/dbraw/zinc/10/45/28/263104528.db2.gz PTDPQVVJMRZXTQ-UHFFFAOYSA-N 0 1 290.367 1.650 20 10 CDCDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368635275 267192673 /nfs/dbraw/zinc/19/26/73/267192673.db2.gz FLZFPGHJIUWMOI-JZYVYDRUSA-N 0 1 253.729 1.716 20 10 CDCDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368635275 267192675 /nfs/dbraw/zinc/19/26/75/267192675.db2.gz FLZFPGHJIUWMOI-JZYVYDRUSA-N 0 1 253.729 1.716 20 10 CDCDMN CN(C)c1ccc(CN2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000377027781 268041487 /nfs/dbraw/zinc/04/14/87/268041487.db2.gz IVDKFQRLONZJBJ-CQSZACIVSA-N 0 1 297.424 1.006 20 10 CDCDMN CN(C)c1ccc(CN2CCc3nn(C)c(=O)cc3C2)cc1 ZINC000093755913 327199869 /nfs/dbraw/zinc/19/98/69/327199869.db2.gz BALMIEDNZLDYRS-UHFFFAOYSA-N 0 1 298.390 1.405 20 10 CDCDMN C[C@@H](NCc1cnnn1C)c1ccc(N(C)C)cc1 ZINC000274807140 334784036 /nfs/dbraw/zinc/78/40/36/334784036.db2.gz PQHMFGZALPAPBT-LLVKDONJSA-N 0 1 259.357 1.732 20 10 CDCDMN O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1c(F)ccc(O)c1O ZINC000789963396 1162117297 /nfs/dbraw/zinc/11/72/97/1162117297.db2.gz MHIJIMAVMCBZER-MRVPVSSYSA-N 0 1 280.299 1.203 20 10 CDCDMN O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1c(F)ccc(O)c1[O-] ZINC000789963396 1162117302 /nfs/dbraw/zinc/11/73/02/1162117302.db2.gz MHIJIMAVMCBZER-MRVPVSSYSA-N 0 1 280.299 1.203 20 10 CDCDMN O=C(c1c([O-])c(O)ccc1F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000789973534 1162121445 /nfs/dbraw/zinc/12/14/45/1162121445.db2.gz HPFPHJHNFCSQFP-SNVBAGLBSA-N 0 1 294.326 1.547 20 10 CDCDMN CCN(CC)c1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1F ZINC000289712914 520893291 /nfs/dbraw/zinc/89/32/91/520893291.db2.gz OYKNKRLFIFXLFM-HZPDHXFCSA-N 0 1 296.386 1.863 20 10 CDCDMN CCN(CCC[NH+](C)C)C(=O)c1c([O-])c(O)ccc1F ZINC000296669876 521008851 /nfs/dbraw/zinc/00/88/51/521008851.db2.gz GQVMTIOBDUQRLG-UHFFFAOYSA-N 0 1 284.331 1.651 20 10 CDCDMN Cc1cccc(CN2CC[S@](=O)C[C@@H](C)C2)c1O ZINC000277482924 524408270 /nfs/dbraw/zinc/40/82/70/524408270.db2.gz MUTZYJCVJYOPEZ-VOJFVSQTSA-N 0 1 267.394 1.901 20 10 CDCDMN CCn1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cn1 ZINC000732529967 575091085 /nfs/dbraw/zinc/09/10/85/575091085.db2.gz FHFGGTLETXFSBC-MDWZMJQESA-N 0 1 282.303 1.364 20 10 CDCDMN O=C([O-])[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000738548990 576087348 /nfs/dbraw/zinc/08/73/48/576087348.db2.gz NHLJOXYXCJXEGN-AWEZNQCLSA-N 0 1 288.303 1.226 20 10 CDCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CCNC1=O ZINC000758406994 577105912 /nfs/dbraw/zinc/10/59/12/577105912.db2.gz JJEHRRUBIJBSBS-CYBMUJFWSA-N 0 1 271.320 1.261 20 10 CDCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CCNC1=O ZINC000758406994 577105914 /nfs/dbraw/zinc/10/59/14/577105914.db2.gz JJEHRRUBIJBSBS-CYBMUJFWSA-N 0 1 271.320 1.261 20 10 CDCDMN C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C(=O)[O-] ZINC000828455793 601820340 /nfs/dbraw/zinc/82/03/40/601820340.db2.gz GSWXUTSAMRBJBR-WPRPVWTQSA-N 0 1 279.292 1.273 20 10 CDCDMN COc1cccc(C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1O ZINC000086774523 604667000 /nfs/dbraw/zinc/66/70/00/604667000.db2.gz 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COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1ccccc1O ZINC001203563267 939693149 /nfs/dbraw/zinc/69/31/49/939693149.db2.gz XLVGKUVZVMHGHA-SCDSUCTJSA-N 0 1 261.321 1.918 20 10 CDCDMN OC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC001203650831 939699866 /nfs/dbraw/zinc/69/98/66/939699866.db2.gz FFIXIULJFFHYLD-NOZJJQNGSA-N 0 1 271.744 1.221 20 10 CDCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001203650831 939699867 /nfs/dbraw/zinc/69/98/67/939699867.db2.gz FFIXIULJFFHYLD-NOZJJQNGSA-N 0 1 271.744 1.221 20 10 CDCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001203650831 939699868 /nfs/dbraw/zinc/69/98/68/939699868.db2.gz FFIXIULJFFHYLD-NOZJJQNGSA-N 0 1 271.744 1.221 20 10 CDCDMN C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1c([O-])ccc(F)c1F ZINC001276470758 939769049 /nfs/dbraw/zinc/76/90/49/939769049.db2.gz RSXXRHDXADIWRX-RYUDHWBXSA-N 0 1 268.307 1.949 20 10 CDCDMN C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1c([O-])ccc(F)c1F ZINC001276470758 939769051 /nfs/dbraw/zinc/76/90/51/939769051.db2.gz RSXXRHDXADIWRX-RYUDHWBXSA-N 0 1 268.307 1.949 20 10 CDCDMN C[C@]1(O)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231447299 942893843 /nfs/dbraw/zinc/89/38/43/942893843.db2.gz RKFBKJHDUUCIMH-HNNXBMFYSA-N 0 1 279.336 1.827 20 10 CDCDMN C[C@]1(O)CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231560364 942925724 /nfs/dbraw/zinc/92/57/24/942925724.db2.gz HYSXCYKLGDBLCU-HNNXBMFYSA-N 0 1 279.336 1.827 20 10 CDCDMN O=C([O-])c1ccc(O)c(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1 ZINC001231568576 942932216 /nfs/dbraw/zinc/93/22/16/942932216.db2.gz NJCJUZFNFJHZPM-AAEUAGOBSA-N 0 1 289.331 1.891 20 10 CDCDMN CC(=O)OC1CN(Cc2cccc(Cl)c2O)C1 ZINC001231911383 943051313 /nfs/dbraw/zinc/05/13/13/943051313.db2.gz CQGYENHJENKFOM-UHFFFAOYSA-N 0 1 255.701 1.793 20 10 CDCDMN Cc1noc([C@H]2CCN(Cc3cc(O)c(O)c(O)c3)C2)n1 ZINC001233017739 943466214 /nfs/dbraw/zinc/46/62/14/943466214.db2.gz ZTIXYJWFDXKTQB-JTQLQIEISA-N 0 1 291.307 1.484 20 10 CDCDMN [O-]c1c(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)ccc(F)c1F ZINC001233074357 943485264 /nfs/dbraw/zinc/48/52/64/943485264.db2.gz OCCIULMXBCTINI-MWLCHTKSSA-N 0 1 275.270 1.965 20 10 CDCDMN C[C@@]1(CO)C[N@@H+](Cc2c([O-])ccc(F)c2F)CC[C@@H]1O ZINC001233332803 943546870 /nfs/dbraw/zinc/54/68/70/943546870.db2.gz YACCPBARVLAEHE-JSGCOSHPSA-N 0 1 287.306 1.236 20 10 CDCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233332456 943547283 /nfs/dbraw/zinc/54/72/83/943547283.db2.gz LUKIBFUWWCLQID-MRVPVSSYSA-N 0 1 271.263 1.665 20 10 CDCDMN COc1cc([O-])c(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(Cl)c1 ZINC001235048173 944022842 /nfs/dbraw/zinc/02/28/42/944022842.db2.gz BXGVVIZNCASXLC-QWHCGFSZSA-N 0 1 282.771 1.990 20 10 CDCDMN CCc1ccc(CN2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c(O)c1 ZINC001236784829 944567909 /nfs/dbraw/zinc/56/79/09/944567909.db2.gz BJRJBSJSRBRSRN-JLJPHGGASA-N 0 1 291.391 1.926 20 10 CDCDMN Cc1cccc(O)c1CN1CC(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001237496632 944818021 /nfs/dbraw/zinc/81/80/21/944818021.db2.gz ZLQDUHASVPRREG-OKILXGFUSA-N 0 1 290.407 1.994 20 10 CDCDMN CCc1nnc(-c2cc3cc(O)c(O)cc3oc2=O)o1 ZINC001255072520 947719874 /nfs/dbraw/zinc/71/98/74/947719874.db2.gz APSULSNRWMUIPH-UHFFFAOYSA-N 0 1 274.232 1.817 20 10 CDCDMN COC(=O)Cc1ccc(CN2CCO[C@@H](C)C2)c(O)c1 ZINC001249177637 949439082 /nfs/dbraw/zinc/43/90/82/949439082.db2.gz GYPXUPZBFPTEIT-NSHDSACASA-N 0 1 279.336 1.328 20 10 CDCDMN O=C([O-])CN1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC001595078830 951662997 /nfs/dbraw/zinc/66/29/97/951662997.db2.gz BLMLDNGQGMVEAK-ZDUSSCGKSA-N 0 1 290.363 1.518 20 10 CDCDMN CC[N@@H+](CC(=O)NC)Cc1ccc(Cl)cc1O ZINC001308606363 956550622 /nfs/dbraw/zinc/55/06/22/956550622.db2.gz VKBKXPREZWWETH-UHFFFAOYSA-N 0 1 256.733 1.614 20 10 CDCDMN CCN(CC(=O)NC)Cc1ccc(Cl)cc1O ZINC001308606363 956550630 /nfs/dbraw/zinc/55/06/30/956550630.db2.gz VKBKXPREZWWETH-UHFFFAOYSA-N 0 1 256.733 1.614 20 10 CDCDMN CC[N@H+](CC(=O)NC)Cc1ccc(Cl)cc1[O-] ZINC001308606363 956550633 /nfs/dbraw/zinc/55/06/33/956550633.db2.gz VKBKXPREZWWETH-UHFFFAOYSA-N 0 1 256.733 1.614 20 10 CDCDMN CC[N@@H+](CC(=O)NC)Cc1ccc(Cl)cc1[O-] ZINC001308606363 956550643 /nfs/dbraw/zinc/55/06/43/956550643.db2.gz VKBKXPREZWWETH-UHFFFAOYSA-N 0 1 256.733 1.614 20 10 CDCDMN CN(Cc1nnc[nH]1)Cc1cc(F)c(F)cc1O ZINC001308724365 956568964 /nfs/dbraw/zinc/56/89/64/956568964.db2.gz TVMCOVQUXWEVDV-UHFFFAOYSA-N 0 1 254.240 1.421 20 10 CDCDMN C[C@](CO)(C[NH2+]Cc1cc(F)cc(F)c1O)CC(=O)[O-] ZINC001334853652 959413398 /nfs/dbraw/zinc/41/33/98/959413398.db2.gz UKAHTINSAOHXAR-CYBMUJFWSA-N 0 1 289.278 1.233 20 10 CDCDMN COc1cccc(O)c1C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC001604871578 974121623 /nfs/dbraw/zinc/12/16/23/974121623.db2.gz XJQGVFPGFCXALJ-CQSZACIVSA-N 0 1 265.309 1.697 20 10 CDCDMN CCOc1ccc(C[N@H+]2CCC[C@@H](O)[C@H]2C(=O)[O-])c(O)c1 ZINC001597102330 986728935 /nfs/dbraw/zinc/72/89/35/986728935.db2.gz VXVGNXVDUOURPI-OCCSQVGLSA-N 0 1 295.335 1.201 20 10 CDCDMN COc1cc(C[N@H+]2CCOC[C@@H]2CC(=O)[O-])c(O)cc1C ZINC001599408177 997369763 /nfs/dbraw/zinc/36/97/63/997369763.db2.gz MADQDSHLYHEQRZ-LBPRGKRZSA-N 0 1 295.335 1.385 20 10 CDCDMN CC(=O)NC[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000180283850 357257714 /nfs/dbraw/zinc/25/77/14/357257714.db2.gz JJSISJAGUOLISD-GFCCVEGCSA-N 0 1 298.770 1.383 20 10 CDCDMN CCOc1cccc(CN2CCNC(=O)C[C@@H]2C)c1O ZINC000367669834 358194375 /nfs/dbraw/zinc/19/43/75/358194375.db2.gz LYOSETJOLMZAHB-NSHDSACASA-N 0 1 278.352 1.501 20 10 CDCDMN CN(C)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000096971012 390915521 /nfs/dbraw/zinc/91/55/21/390915521.db2.gz ARIMWMSSWBEFMN-CQSZACIVSA-N 0 1 292.379 1.461 20 10 CDCDMN C[C@H]([NH2+]CCOCCO)c1cc(Cl)ccc1[O-] ZINC000184886663 262032655 /nfs/dbraw/zinc/03/26/55/262032655.db2.gz HHMDBVKLSRJSEJ-VIFPVBQESA-N 0 1 259.733 1.705 20 10 CDCDMN CN(Cc1ccccc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000272287935 263003282 /nfs/dbraw/zinc/00/32/82/263003282.db2.gz NTHOJQWQJMMZKZ-LLVKDONJSA-N 0 1 269.366 1.259 20 10 CDCDMN Cc1cc(O)c(CN2CCN3C(=O)OC[C@H]3C2)cc1C ZINC000378345146 329046934 /nfs/dbraw/zinc/04/69/34/329046934.db2.gz HMQDISFYERBSBG-CYBMUJFWSA-N 0 1 276.336 1.645 20 10 CDCDMN CC(=O)c1cc(F)cc(CN2CCC(CO)CC2)c1O ZINC000050131902 518283447 /nfs/dbraw/zinc/28/34/47/518283447.db2.gz PPSLLOQHVKZRFS-UHFFFAOYSA-N 0 1 281.327 1.938 20 10 CDCDMN COc1c([O-])c(C[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000278216858 521866974 /nfs/dbraw/zinc/86/69/74/521866974.db2.gz KYPCSNOTKZNEMZ-UHFFFAOYSA-N 0 1 252.270 1.903 20 10 CDCDMN COC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000290299891 522686766 /nfs/dbraw/zinc/68/67/66/522686766.db2.gz YRAXGWCPHAVCAY-SCZZXKLOSA-N 0 1 259.733 1.704 20 10 CDCDMN C[NH+]1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276501438 523775388 /nfs/dbraw/zinc/77/53/88/523775388.db2.gz HWTGBBVOMKULTJ-UHFFFAOYSA-N 0 1 268.288 1.061 20 10 CDCDMN Cc1cccc(CN2CC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000366554580 524404502 /nfs/dbraw/zinc/40/45/02/524404502.db2.gz MRCOGPUYYLBLAA-GFCCVEGCSA-N 0 1 283.393 1.567 20 10 CDCDMN COc1ccc(O)c(CN(C)[C@@H]2CCCCNC2=O)c1 ZINC000367724031 524734444 /nfs/dbraw/zinc/73/44/44/524734444.db2.gz NZXMWGBTGVZEIL-CYBMUJFWSA-N 0 1 278.352 1.501 20 10 CDCDMN COc1cccc(CNCc2snnc2C)c1O ZINC000291813949 526027358 /nfs/dbraw/zinc/02/73/58/526027358.db2.gz YMLBAYZITIZZJJ-UHFFFAOYSA-N 0 1 265.338 1.851 20 10 CDCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000280243368 527578891 /nfs/dbraw/zinc/57/88/91/527578891.db2.gz IKSOVFFLKVFQAG-GHMZBOCLSA-N 0 1 285.771 1.780 20 10 CDCDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCOC1 ZINC000739793735 574493165 /nfs/dbraw/zinc/49/31/65/574493165.db2.gz OLKWXJRJOGRLBX-SNVBAGLBSA-N 0 1 299.754 1.969 20 10 CDCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccnc1 ZINC000728697448 574642627 /nfs/dbraw/zinc/64/26/27/574642627.db2.gz GJVQVGFQZLOHBJ-UKTHLTGXSA-N 0 1 265.272 1.543 20 10 CDCDMN CCc1nc([C@@H](C)NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000763221706 576723226 /nfs/dbraw/zinc/72/32/26/576723226.db2.gz DMPBWPAYSJTMBE-ZCFIWIBFSA-N 0 1 266.326 1.625 20 10 CDCDMN CCNC(=O)CN(CC)Cc1ccc(OCC)cc1O ZINC000768193322 576263957 /nfs/dbraw/zinc/26/39/57/576263957.db2.gz KGAYRAZWEWQZFD-UHFFFAOYSA-N 0 1 280.368 1.749 20 10 CDCDMN CN1CCN(c2ccc(C[N@H+](C)CCC(=O)[O-])cc2)CC1 ZINC000108245150 598182105 /nfs/dbraw/zinc/18/21/05/598182105.db2.gz WZGVCWNGWSLSIE-UHFFFAOYSA-N 0 1 291.395 1.345 20 10 CDCDMN CN1CCN(c2ccc(C[N@@H+](C)CCC(=O)[O-])cc2)CC1 ZINC000108245150 598182106 /nfs/dbraw/zinc/18/21/06/598182106.db2.gz WZGVCWNGWSLSIE-UHFFFAOYSA-N 0 1 291.395 1.345 20 10 CDCDMN C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000235363601 604663742 /nfs/dbraw/zinc/66/37/42/604663742.db2.gz LHJOFYGOJCBXME-BXUZGUMPSA-N 0 1 262.353 1.905 20 10 CDCDMN O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000833211168 604983354 /nfs/dbraw/zinc/98/33/54/604983354.db2.gz ULXAGVPBCJZXNK-JTQLQIEISA-N 0 1 279.292 1.560 20 10 CDCDMN COc1ccc(CN(C)Cc2cn[nH]c2)c(O)c1OC ZINC000892048733 617443075 /nfs/dbraw/zinc/44/30/75/617443075.db2.gz BCEALGILCSTKRW-UHFFFAOYSA-N 0 1 277.324 1.765 20 10 CDCDMN C[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H](CO)O1 ZINC000894539101 618949951 /nfs/dbraw/zinc/94/99/51/618949951.db2.gz XMFDOEJEKFWNKK-KCJUWKMLSA-N 0 1 273.279 1.252 20 10 CDCDMN CC1(C)CN(Cc2cc(F)cc(F)c2O)C[C@@H](CO)O1 ZINC000895034011 619211763 /nfs/dbraw/zinc/21/17/63/619211763.db2.gz OKIFSVOOMNDSJV-NSHDSACASA-N 0 1 287.306 1.642 20 10 CDCDMN Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)c(O)c1 ZINC000895324456 619560971 /nfs/dbraw/zinc/56/09/71/619560971.db2.gz KSTZPWGPKFIVHX-JSGCOSHPSA-N 0 1 251.326 1.018 20 10 CDCDMN C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000895326472 619564545 /nfs/dbraw/zinc/56/45/45/619564545.db2.gz YCMHYRHZKKQUQL-ZANVPECISA-N 0 1 289.734 1.502 20 10 CDCDMN COc1ccc(CN2CCCN(C=O)CC2)c(O)c1OC ZINC000895473820 619684485 /nfs/dbraw/zinc/68/44/85/619684485.db2.gz RRXCMROXHFRLBC-UHFFFAOYSA-N 0 1 294.351 1.074 20 10 CDCDMN Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](O)C[C@H]1C(=O)[O-] ZINC001607667620 1164262880 /nfs/dbraw/zinc/26/28/80/1164262880.db2.gz MJQILMCFFDMZCN-KBPBESRZSA-N 0 1 278.352 1.081 20 10 CDCDMN CCOc1cccc(C[N@H+]2CCC[C@H](O)[C@@H]2C(=O)[O-])c1O ZINC001610044682 1165195567 /nfs/dbraw/zinc/19/55/67/1165195567.db2.gz HKOMVASQVKHBFN-WCQYABFASA-N 0 1 295.335 1.201 20 10 CDCDMN O=C(C[C@H]1CCC[NH2+]1)NCc1cccc(Cl)c1[O-] ZINC001580505666 1172456974 /nfs/dbraw/zinc/45/69/74/1172456974.db2.gz IXKGKOHBTLARQY-SNVBAGLBSA-N 0 1 268.744 1.804 20 10 CDCDMN C[N@H+](Cc1cccc(-c2nn[n-]n2)n1)Cc1ccccc1O ZINC001591146343 1173577688 /nfs/dbraw/zinc/57/76/88/1173577688.db2.gz UPOLHIIMPRGNPY-UHFFFAOYSA-N 0 1 296.334 1.599 20 10 CDCDMN C[N@@H+](Cc1cccc(-c2nn[n-]n2)n1)Cc1ccccc1O ZINC001591146343 1173577695 /nfs/dbraw/zinc/57/76/95/1173577695.db2.gz UPOLHIIMPRGNPY-UHFFFAOYSA-N 0 1 296.334 1.599 20 10 CDCDMN CC(C)c1ccc(O)c(C[N@H+]2CCO[C@@H](C(=O)[O-])C2)c1 ZINC001604003025 1175714339 /nfs/dbraw/zinc/71/43/39/1175714339.db2.gz WCVYHTNUWHPALU-CQSZACIVSA-N 0 1 279.336 1.801 20 10 CDCDMN COC[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(C)cc1O ZINC001606833662 1164009289 /nfs/dbraw/zinc/00/92/89/1164009289.db2.gz NYEXXYCSKUCCQF-OAHLLOKOSA-N 0 1 279.336 1.766 20 10 CDCDMN 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