smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@H](C)N[C@H](C)c2nnc3n2CCCC3)c([O-])c1 ZINC000185586032 228393942 /nfs/dbraw/zinc/39/39/42/228393942.db2.gz QNYXEPHTUWMHQO-QWHCGFSZSA-N -1 3 300.406 3.040 10 10 DGCEHM O=C(c1cccc(O)c1[O-])N1CC=C(c2ccccc2F)CC1 ZINC000193165320 432456211 /nfs/dbraw/zinc/45/62/11/432456211.db2.gz KMIDGKQJOQZGBP-UHFFFAOYSA-N -1 3 313.328 3.166 10 10 DGCEHM Cc1nnc([C@@H](N[C@H](C)c2ccccc2[O-])c2ccccc2)[nH]1 ZINC000154166453 432478936 /nfs/dbraw/zinc/47/89/36/432478936.db2.gz UXHGDYVOQICPFB-PXAZEXFGSA-N -1 3 308.385 3.259 10 10 DGCEHM CC(=O)Nc1ccc2nc(-c3ccc([O-])c(O)c3)sc2c1 ZINC000216052427 432647411 /nfs/dbraw/zinc/64/74/11/432647411.db2.gz PQXGTBDFQDPMPK-UHFFFAOYSA-N -1 3 300.339 3.333 10 10 DGCEHM CC(C)c1nc([C@H]2CCCN2Cc2cc(F)ccc2[O-])no1 ZINC000180031407 519868492 /nfs/dbraw/zinc/86/84/92/519868492.db2.gz YBUBWCUWRMSVFX-CYBMUJFWSA-N -1 3 305.353 3.375 10 10 DGCEHM [O-]c1c(Cl)cccc1CNCc1ccc2c(c1)OCCO2 ZINC000158076721 526329213 /nfs/dbraw/zinc/32/92/13/526329213.db2.gz ZMOXDNRHWSOLLQ-UHFFFAOYSA-N -1 3 305.761 3.107 10 10 DGCEHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@@H](c2ccccc2)O1 ZINC000731871068 574560549 /nfs/dbraw/zinc/56/05/49/574560549.db2.gz DAWJXXCFHAXUGG-RISCZKNCSA-N -1 3 303.383 3.056 10 10 DGCEHM CC(=O)c1cc(F)cc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1[O-] ZINC000298225107 132051834 /nfs/dbraw/zinc/05/18/34/132051834.db2.gz GPVJPRPTACTATC-HIFRSBDPSA-N -1 3 313.319 3.211 10 10 DGCEHM C[C@H](N[C@@H](C)c1ccccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000179896079 228353435 /nfs/dbraw/zinc/35/34/35/228353435.db2.gz QXANHHVYILGFLB-KBPBESRZSA-N -1 3 308.385 3.385 10 10 DGCEHM [O-]c1ccc(Cl)cc1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000093457765 431915379 /nfs/dbraw/zinc/91/53/79/431915379.db2.gz YJIXIPNNHBXENB-KRWDZBQOSA-N -1 3 319.788 3.325 10 10 DGCEHM O=C(NCc1cccc(-c2ccccn2)c1)c1cccc(O)c1[O-] ZINC000193144587 432453434 /nfs/dbraw/zinc/45/34/34/432453434.db2.gz CWFQQDRYZVAFRF-UHFFFAOYSA-N -1 3 320.348 3.090 10 10 DGCEHM [O-]c1ccc(F)cc1CNCc1ncc(-c2ccccc2)cn1 ZINC000184443658 534454733 /nfs/dbraw/zinc/45/47/33/534454733.db2.gz MNGANHHGEWJMQM-UHFFFAOYSA-N -1 3 309.344 3.278 10 10 DGCEHM Cc1nc(C[C@@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)no1 ZINC000180000050 526919984 /nfs/dbraw/zinc/91/99/84/526919984.db2.gz IODOEWZGAGGKAW-LBPRGKRZSA-N -1 3 321.808 3.192 10 10 DGCEHM CC(C)c1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(F)ccc1[O-] ZINC000185685078 528331805 /nfs/dbraw/zinc/33/18/05/528331805.db2.gz XGOYGJCEVKYLHE-RISCZKNCSA-N -1 3 318.396 3.432 10 10 DGCEHM [O-]c1cccc(Cl)c1CNc1ccc(-n2cncn2)cc1 ZINC000149164793 1177218701 /nfs/dbraw/zinc/21/87/01/1177218701.db2.gz IWXVLOKCPDHYEZ-UHFFFAOYSA-N -1 3 300.749 3.238 10 10 DGCEHM CC(=O)c1cc(F)cc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)c1[O-] ZINC000298225103 132052002 /nfs/dbraw/zinc/05/20/02/132052002.db2.gz GPVJPRPTACTATC-DZGCQCFKSA-N -1 3 313.319 3.211 10 10 DGCEHM Cc1ccc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)c([O-])c1 ZINC000185585995 228393628 /nfs/dbraw/zinc/39/36/28/228393628.db2.gz QNYXEPHTUWMHQO-STQMWFEESA-N -1 3 300.406 3.040 10 10 DGCEHM [O-]c1ccc(Cl)cc1CN1CCO[C@H](c2nccs2)C1 ZINC000092831536 431911663 /nfs/dbraw/zinc/91/16/63/431911663.db2.gz MVKKCMPQGOVIDU-ZDUSSCGKSA-N -1 3 310.806 3.076 10 10 DGCEHM COc1cc(Cl)cc(CN2CCO[C@H]3CCCC[C@H]32)c1[O-] ZINC000228630470 432719794 /nfs/dbraw/zinc/71/97/94/432719794.db2.gz OHEMTXLBEIOJFJ-KGLIPLIRSA-N -1 3 311.809 3.198 10 10 DGCEHM CCc1nc2n(n1)CCC[C@H]2N[C@@H](CC)c1ccccc1[O-] ZINC000156314925 522520086 /nfs/dbraw/zinc/52/00/86/522520086.db2.gz LPFBPTBDZMYJOP-UONOGXRCSA-N -1 3 300.406 3.122 10 10 DGCEHM [O-]c1ccc(F)cc1CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000180287049 526348754 /nfs/dbraw/zinc/34/87/54/526348754.db2.gz KLASXULQUTVEGO-XJKSGUPXSA-N -1 3 323.314 3.117 10 10 DGCEHM CC(C)c1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccccc1[O-] ZINC000183552421 528331342 /nfs/dbraw/zinc/33/13/42/528331342.db2.gz SEOUUKAFAYWZHW-JSGCOSHPSA-N -1 3 300.406 3.293 10 10 DGCEHM CO[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC[C@@H]1C ZINC000221137536 627215131 /nfs/dbraw/zinc/21/51/31/627215131.db2.gz KRPAYIRSWIVPTF-ZUZCIYMTSA-N -1 3 311.809 3.105 10 10 DGCEHM Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c([O-])c1O ZINC000179409596 432057162 /nfs/dbraw/zinc/05/71/62/432057162.db2.gz HOGYCNUBOLDBSV-ZJUUUORDSA-N -1 3 317.307 3.257 10 10 DGCEHM [O-]c1ccccc1CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000179567648 285398449 /nfs/dbraw/zinc/39/84/49/285398449.db2.gz VNDNCVIIYKVEDM-HNNXBMFYSA-N -1 3 312.417 3.047 10 10 DGCEHM C[C@@H](N[C@@H](C)c1cc(Cl)ccc1[O-])c1nnc2n1CCCC2 ZINC000185585187 533501694 /nfs/dbraw/zinc/50/16/94/533501694.db2.gz ILQHPGRIMHSUNH-WDEREUQCSA-N -1 3 320.824 3.385 10 10 DGCEHM CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(C)cc1[O-] ZINC000185683099 432524182 /nfs/dbraw/zinc/52/41/82/432524182.db2.gz JJXUDPUNCLIKDT-GXTWGEPZSA-N -1 3 300.406 3.040 10 10 DGCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000187030847 432643697 /nfs/dbraw/zinc/64/36/97/432643697.db2.gz NOELQGNONDKLMT-CQSZACIVSA-N -1 3 315.344 3.084 10 10 DGCEHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)F)C2)c1[O-] ZINC000707170245 660892676 /nfs/dbraw/zinc/89/26/76/660892676.db2.gz IEOWJHLWPBRZFV-VIFPVBQESA-N -1 3 303.736 3.335 10 10 DGCEHM [O-]c1c(F)cccc1CNCc1ccn(Cc2ccccc2)n1 ZINC000389927771 1108663862 /nfs/dbraw/zinc/66/38/62/1108663862.db2.gz FJJMAFIHMVSXEH-UHFFFAOYSA-N -1 3 311.360 3.066 10 10 DGCEHM [O-]c1ccc(Cl)cc1CNc1cccc2c1OCC[C@H]2O ZINC000184076814 228379935 /nfs/dbraw/zinc/37/99/35/228379935.db2.gz AUPRQSKYHDSNOG-OAHLLOKOSA-N -1 3 305.761 3.474 10 10 DGCEHM C[C@H](NC(=O)[C@H](C)N(C)Cc1ccccc1[O-])c1ccccc1 ZINC000109771818 431180018 /nfs/dbraw/zinc/18/00/18/431180018.db2.gz VQEJIDZPNTYGKJ-GJZGRUSLSA-N -1 3 312.413 3.090 10 10 DGCEHM COc1ccc(C2=NN[C@H](c3ccc(Cl)cc3)C2)c([O-])c1 ZINC000008472951 431400801 /nfs/dbraw/zinc/40/08/01/431400801.db2.gz SFFJXILVZJKTLU-AWEZNQCLSA-N -1 3 302.761 3.493 10 10 DGCEHM CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000185682364 432523849 /nfs/dbraw/zinc/52/38/49/432523849.db2.gz SRFNPYJEFYZOGE-MFKMUULPSA-N -1 3 320.824 3.385 10 10 DGCEHM O=C(N[C@H](c1ccco1)c1ccccc1)c1cccc(O)c1[O-] ZINC000186798149 432632194 /nfs/dbraw/zinc/63/21/94/432632194.db2.gz NINYQDIDKFPIDN-INIZCTEOSA-N -1 3 309.321 3.210 10 10 DGCEHM Cc1ccc(-c2noc(COC(=O)c3cc([O-])cs3)n2)cc1 ZINC000731912659 574562185 /nfs/dbraw/zinc/56/21/85/574562185.db2.gz XDGQMXBDZSZVNU-UHFFFAOYSA-N -1 3 316.338 3.169 10 10 DGCEHM Cc1cc(CC[N-]C(=O)C(F)(F)F)c(C)n1-c1ccccc1 ZINC000729306118 575233137 /nfs/dbraw/zinc/23/31/37/575233137.db2.gz HZMNUEBGXXGWAJ-UHFFFAOYSA-N -1 3 310.319 3.315 10 10 DGCEHM [O-]c1ccc(Br)cc1CN[C@H]1CCCC1(F)F ZINC000397934269 685232970 /nfs/dbraw/zinc/23/29/70/685232970.db2.gz CWWBABJCPLNZCT-NSHDSACASA-N -1 3 306.150 3.432 10 10 DGCEHM Cc1nccn1C[C@H]1CCCN1Cc1c([O-])ccc(Cl)c1F ZINC000191425909 282216672 /nfs/dbraw/zinc/21/66/72/282216672.db2.gz DDXWXSKCBQXXPP-GFCCVEGCSA-N -1 3 323.799 3.354 10 10 DGCEHM [O-]c1c(CN2CCCC2)cc(Br)c2cccnc12 ZINC000020075886 182185508 /nfs/dbraw/zinc/18/55/08/182185508.db2.gz FPVYUXXOQJWEAY-UHFFFAOYSA-N -1 3 307.191 3.299 10 10 DGCEHM Cc1cccc2c1OCC[C@H]2NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000188875435 281290560 /nfs/dbraw/zinc/29/05/60/281290560.db2.gz SNJNUZHGPFBCAE-OAHLLOKOSA-N -1 3 314.341 3.222 10 10 DGCEHM Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186096280 432558230 /nfs/dbraw/zinc/55/82/30/432558230.db2.gz BTJOHTFTLXWKGC-TVQRCGJNSA-N -1 3 306.797 3.131 10 10 DGCEHM C[C@H](N[C@H]1CCCn2ncnc21)c1ccc2ccccc2c1[O-] ZINC000185662861 432522104 /nfs/dbraw/zinc/52/21/04/432522104.db2.gz SIPOXWFJGGHURO-LRDDRELGSA-N -1 3 308.385 3.323 10 10 DGCEHM Cc1cccc2c1OCC[C@@H]2NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000188948508 432755960 /nfs/dbraw/zinc/75/59/60/432755960.db2.gz SNJNUZHGPFBCAE-HNNXBMFYSA-N -1 3 314.341 3.222 10 10 DGCEHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)c([O-])c1O ZINC000179523587 301500106 /nfs/dbraw/zinc/50/01/06/301500106.db2.gz MXBXQOSMCGMVHS-GFCCVEGCSA-N -1 3 318.398 3.230 10 10 DGCEHM CCN(CC(=O)OC)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000728708980 576196644 /nfs/dbraw/zinc/19/66/44/576196644.db2.gz LLQMKEAOKDPDJP-UHFFFAOYSA-N -1 3 317.385 3.012 10 10 DGCEHM CO[C@@H](C)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000179474039 655893714 /nfs/dbraw/zinc/89/37/14/655893714.db2.gz KPOLHZHRZLLVIP-NSHDSACASA-N -1 3 301.342 3.366 10 10 DGCEHM Cc1ccc(C(=O)Nc2cc(-n3cccn3)ccc2C)c([O-])c1O ZINC000191840898 662082052 /nfs/dbraw/zinc/08/20/52/662082052.db2.gz KZBSMTJQPODMNK-UHFFFAOYSA-N -1 3 323.352 3.153 10 10 DGCEHM Cc1ccc(C(=O)N2CCCC[C@H]2c2nccs2)c([O-])c1O ZINC000179523601 432060887 /nfs/dbraw/zinc/06/08/87/432060887.db2.gz MXBXQOSMCGMVHS-LBPRGKRZSA-N -1 3 318.398 3.230 10 10 DGCEHM Cc1ccc(C2=NN[C@@H](c3cc(Br)ccc3[O-])C2)o1 ZINC000020390601 182213728 /nfs/dbraw/zinc/21/37/28/182213728.db2.gz JICGXWUYVVVXBZ-LLVKDONJSA-N -1 3 321.174 3.495 10 10 DGCEHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H](Oc2cccnc2)C1 ZINC000191407037 432262529 /nfs/dbraw/zinc/26/25/29/432262529.db2.gz MCAPARDTJKRNEH-LBPRGKRZSA-N -1 3 322.767 3.233 10 10 DGCEHM C[C@H](NCc1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184996505 432453825 /nfs/dbraw/zinc/45/38/25/432453825.db2.gz NGHIRXRANQHXOF-QMMMGPOBSA-N -1 3 300.189 3.283 10 10 DGCEHM CC(C)c1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(F)cc1[O-] ZINC000185683915 528333067 /nfs/dbraw/zinc/33/30/67/528333067.db2.gz JAYPRKSLQLJLFR-SMDDNHRTSA-N -1 3 318.396 3.432 10 10 DGCEHM CC(C)c1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccccc1[O-] ZINC000183552442 528333255 /nfs/dbraw/zinc/33/32/55/528333255.db2.gz SEOUUKAFAYWZHW-GXTWGEPZSA-N -1 3 300.406 3.293 10 10 DGCEHM Cc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c([O-])c1O ZINC000179409572 432057748 /nfs/dbraw/zinc/05/77/48/432057748.db2.gz HOGYCNUBOLDBSV-UWVGGRQHSA-N -1 3 317.307 3.257 10 10 DGCEHM Cc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c([O-])c1O ZINC000179403598 228350747 /nfs/dbraw/zinc/35/07/47/228350747.db2.gz BIOGBSLWJYGFLH-UHFFFAOYSA-N -1 3 322.364 3.086 10 10 DGCEHM O=C(c1cccc(O)c1[O-])N1CC=C(c2cccs2)CC1 ZINC000185682663 228395604 /nfs/dbraw/zinc/39/56/04/228395604.db2.gz IOPVFJBDCMQSTL-UHFFFAOYSA-N -1 3 301.367 3.089 10 10 DGCEHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H]1Cn1ccnc1 ZINC000191490527 432271468 /nfs/dbraw/zinc/27/14/68/432271468.db2.gz DKZFTOFPMJJOPV-LLVKDONJSA-N -1 3 309.772 3.046 10 10 DGCEHM C[C@@H](NCc1ccnn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192657515 432396630 /nfs/dbraw/zinc/39/66/30/432396630.db2.gz MWBAENWTGMXZGD-MRVPVSSYSA-N -1 3 300.189 3.283 10 10 DGCEHM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)c1 ZINC000193161034 432455770 /nfs/dbraw/zinc/45/57/70/432455770.db2.gz XOKLFJJWDDYXPS-CQSZACIVSA-N -1 3 311.381 3.344 10 10 DGCEHM CN1Cc2cc(NCc3cc(F)ccc3[O-])ccc2NC1=O ZINC000187470087 432665804 /nfs/dbraw/zinc/66/58/04/432665804.db2.gz OYNATSOZGMMSTK-UHFFFAOYSA-N -1 3 301.321 3.121 10 10 DGCEHM [O-]c1c(F)cccc1CNCc1ccc(Br)o1 ZINC000378915518 1197701366 /nfs/dbraw/zinc/70/13/66/1197701366.db2.gz MJTNUDZKBUPPCQ-UHFFFAOYSA-N -1 3 300.127 3.177 10 10 DGCEHM Cn1cc([C@H]2CCCN2Cc2c([O-])ccc(Cl)c2F)cn1 ZINC000191322762 432249623 /nfs/dbraw/zinc/24/96/23/432249623.db2.gz MTVWENICCGISEV-CYBMUJFWSA-N -1 3 309.772 3.255 10 10 DGCEHM C[C@H](NCc1ccnn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192657501 432396826 /nfs/dbraw/zinc/39/68/26/432396826.db2.gz MWBAENWTGMXZGD-QMMMGPOBSA-N -1 3 300.189 3.283 10 10 DGCEHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2cn[nH]c2)c1[O-] ZINC000175673210 432457138 /nfs/dbraw/zinc/45/71/38/432457138.db2.gz JEHINFUEVZOEOD-MRXNPFEDSA-N -1 3 317.364 3.184 10 10 DGCEHM COc1cc(Cl)cc(CN2CCO[C@@H]3CCCC[C@H]32)c1[O-] ZINC000228630456 432719188 /nfs/dbraw/zinc/71/91/88/432719188.db2.gz OHEMTXLBEIOJFJ-ZIAGYGMSSA-N -1 3 311.809 3.198 10 10 DGCEHM Cc1nc([C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])cs1 ZINC000190013268 527050806 /nfs/dbraw/zinc/05/08/06/527050806.db2.gz ONEFATXDLHGGAT-ZDUSSCGKSA-N -1 3 318.398 3.148 10 10 DGCEHM Cc1cnc([C@H](C)NCc2ccc(Br)cc2[O-])o1 ZINC000700992972 660647821 /nfs/dbraw/zinc/64/78/21/660647821.db2.gz KVAGRSLZBOSONR-VIFPVBQESA-N -1 3 311.179 3.302 10 10 DGCEHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(F)F)C2)c1[O-] ZINC000707170243 660892426 /nfs/dbraw/zinc/89/24/26/660892426.db2.gz IEOWJHLWPBRZFV-SECBINFHSA-N -1 3 303.736 3.335 10 10 DGCEHM Cc1cnc([C@H](C)NCc2cccc(Br)c2[O-])o1 ZINC000227556195 659157321 /nfs/dbraw/zinc/15/73/21/659157321.db2.gz MFEZOICRDHJGTG-VIFPVBQESA-N -1 3 311.179 3.302 10 10 DGCEHM CC(C)Oc1ccc(F)cc1NC(=O)c1cccc(O)c1[O-] ZINC000188379285 661927987 /nfs/dbraw/zinc/92/79/87/661927987.db2.gz AIFQWIIPNFEIEY-UHFFFAOYSA-N -1 3 305.305 3.276 10 10 DGCEHM CC(C)c1nnc2n1CCN(Cc1cc(Cl)ccc1[O-])[C@H]2C ZINC000188450062 432726189 /nfs/dbraw/zinc/72/61/89/432726189.db2.gz GXIBMOISVCKNFH-NSHDSACASA-N -1 3 320.824 3.337 10 10 DGCEHM COc1cc(Cl)cc(CN[C@@H]2COc3ccccc32)c1[O-] ZINC000228673745 432719321 /nfs/dbraw/zinc/71/93/21/432719321.db2.gz MDUJETJSTBLPIH-CYBMUJFWSA-N -1 3 305.761 3.278 10 10 DGCEHM CC(=O)c1cc(Cl)cc(CN2CC[C@@]3(C2)CCCOC3)c1[O-] ZINC000375284846 337007245 /nfs/dbraw/zinc/00/72/45/337007245.db2.gz VEYDPBDYGYYMFL-QGZVFWFLSA-N -1 3 323.820 3.251 10 10 DGCEHM CC(C)c1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(F)ccc1[O-] ZINC000185685097 528333213 /nfs/dbraw/zinc/33/32/13/528333213.db2.gz XGOYGJCEVKYLHE-BXUZGUMPSA-N -1 3 318.396 3.432 10 10 DGCEHM Cc1cc(Cl)cc(CN2CCCN(C(=O)C(C)C)CC2)c1[O-] ZINC000179796933 432070860 /nfs/dbraw/zinc/07/08/60/432070860.db2.gz AEEVWNVAIOEJPB-UHFFFAOYSA-N -1 3 324.852 3.044 10 10 DGCEHM O=C1c2nc(-c3ccc(Cl)cc3)n([O-])c2C(=O)c2ccccc21 ZINC000096336141 285027356 /nfs/dbraw/zinc/02/73/56/285027356.db2.gz WAKKKRMBMLXUAA-UHFFFAOYSA-N -1 3 324.723 3.216 10 10 DGCEHM COc1cccc2c1C(=O)c1c([O-])c(CC(C)C)ccc1C2=O ZINC000013454720 431556067 /nfs/dbraw/zinc/55/60/67/431556067.db2.gz XZQGIFIIFDCRPF-UHFFFAOYSA-N -1 3 310.349 3.375 10 10 DGCEHM [O-]c1ccccc1CN[C@H](c1ncon1)c1ccc(Cl)cc1 ZINC000122658091 431841355 /nfs/dbraw/zinc/84/13/55/431841355.db2.gz UQPOONZMCREKIZ-HNNXBMFYSA-N -1 3 315.760 3.308 10 10 DGCEHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000093457766 431916498 /nfs/dbraw/zinc/91/64/98/431916498.db2.gz YJIXIPNNHBXENB-QGZVFWFLSA-N -1 3 319.788 3.325 10 10 DGCEHM C[C@@H](NCc1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184996526 432453958 /nfs/dbraw/zinc/45/39/58/432453958.db2.gz NGHIRXRANQHXOF-MRVPVSSYSA-N -1 3 300.189 3.283 10 10 DGCEHM C[C@@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000186151670 432563572 /nfs/dbraw/zinc/56/35/72/432563572.db2.gz RGTCKUKYDJLENJ-MRVPVSSYSA-N -1 3 317.286 3.134 10 10 DGCEHM CC(=O)c1cc(Cl)cc(CN(C(C)C)[C@H]2CCOC2)c1[O-] ZINC000291148209 433223209 /nfs/dbraw/zinc/22/32/09/433223209.db2.gz ADNULUHCWHTVNM-AWEZNQCLSA-N -1 3 311.809 3.248 10 10 DGCEHM [O-]c1ccc(Br)cc1CN[C@@H]1COc2ccccc21 ZINC000105468277 526342371 /nfs/dbraw/zinc/34/23/71/526342371.db2.gz QXWDQQDJUNIPHQ-CYBMUJFWSA-N -1 3 320.186 3.378 10 10 DGCEHM Cc1nc(C[C@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)no1 ZINC000180000069 526923052 /nfs/dbraw/zinc/92/30/52/526923052.db2.gz IODOEWZGAGGKAW-GFCCVEGCSA-N -1 3 321.808 3.192 10 10 DGCEHM CC(C)c1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccccc1[O-] ZINC000183552476 528333263 /nfs/dbraw/zinc/33/32/63/528333263.db2.gz SEOUUKAFAYWZHW-TZMCWYRMSA-N -1 3 300.406 3.293 10 10 DGCEHM COc1cccc([C@H]2CN(Cc3cc(F)ccc3[O-])CCO2)c1 ZINC000180072329 228355156 /nfs/dbraw/zinc/35/51/56/228355156.db2.gz OMPUVMUVICFVIS-GOSISDBHSA-N -1 3 317.360 3.113 10 10 DGCEHM [O-]c1ccc(Cl)c(F)c1CN1CCC(Cn2cccn2)CC1 ZINC000191341573 432252258 /nfs/dbraw/zinc/25/22/58/432252258.db2.gz VOBRORFDGRLISL-UHFFFAOYSA-N -1 3 323.799 3.293 10 10 DGCEHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H]1c1cccc(F)c1 ZINC000185784994 660242145 /nfs/dbraw/zinc/24/21/45/660242145.db2.gz CAAUELNAGVXHRO-ZBEGNZNMSA-N -1 3 315.344 3.460 10 10 DGCEHM CC1(C)C[C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccc2O1 ZINC000193134072 662123508 /nfs/dbraw/zinc/12/35/08/662123508.db2.gz NMICAQCPIUOEKT-CYBMUJFWSA-N -1 3 313.353 3.130 10 10 DGCEHM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([O-])c1O ZINC000179409587 432057037 /nfs/dbraw/zinc/05/70/37/432057037.db2.gz HOGYCNUBOLDBSV-NXEZZACHSA-N -1 3 317.307 3.257 10 10 DGCEHM Cc1ccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)c([O-])c1O ZINC000179499621 432060335 /nfs/dbraw/zinc/06/03/35/432060335.db2.gz DMKGXKREZTZOCN-GOSISDBHSA-N -1 3 301.386 3.369 10 10 DGCEHM Cc1cc(Cl)cc(CN2CCC[C@H]2c2cnn(C)c2)c1[O-] ZINC000180053203 228354257 /nfs/dbraw/zinc/35/42/57/228354257.db2.gz MKFNQUPOWQGQNG-HNNXBMFYSA-N -1 3 305.809 3.425 10 10 DGCEHM C[C@H](C(=O)N[C@@H](C)c1ccccc1)N(C)Cc1ccccc1[O-] ZINC000109771813 431179121 /nfs/dbraw/zinc/17/91/21/431179121.db2.gz VQEJIDZPNTYGKJ-LSDHHAIUSA-N -1 3 312.413 3.090 10 10 DGCEHM C[C@@H](NC(=O)[C@H](C)N(C)Cc1ccccc1[O-])c1ccccc1 ZINC000109771822 431179156 /nfs/dbraw/zinc/17/91/56/431179156.db2.gz VQEJIDZPNTYGKJ-CABCVRRESA-N -1 3 312.413 3.090 10 10 DGCEHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H](c2nccs2)C1 ZINC000092831537 431912490 /nfs/dbraw/zinc/91/24/90/431912490.db2.gz MVKKCMPQGOVIDU-CYBMUJFWSA-N -1 3 310.806 3.076 10 10 DGCEHM C[C@@H](NCc1c([O-])cccc1Br)c1cscn1 ZINC000706804726 660873408 /nfs/dbraw/zinc/87/34/08/660873408.db2.gz NZEKRPPALLDRLR-MRVPVSSYSA-N -1 3 313.220 3.462 10 10 DGCEHM Cc1cnc([C@H](C)NCc2cc(Br)ccc2[O-])o1 ZINC000231532325 659391557 /nfs/dbraw/zinc/39/15/57/659391557.db2.gz GBMGOUBRRDHKOE-VIFPVBQESA-N -1 3 311.179 3.302 10 10 DGCEHM COCC(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000040870148 183145607 /nfs/dbraw/zinc/14/56/07/183145607.db2.gz XHMLXYFXDBNOPK-FQEVSTJZSA-N -1 3 321.376 3.397 10 10 DGCEHM [O-]c1ccc(Cl)cc1CNc1cccc2c1OCC[C@@H]2O ZINC000184076794 228380805 /nfs/dbraw/zinc/38/08/05/228380805.db2.gz AUPRQSKYHDSNOG-HNNXBMFYSA-N -1 3 305.761 3.474 10 10 DGCEHM Cc1ccc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)c([O-])c1 ZINC000185585977 228393750 /nfs/dbraw/zinc/39/37/50/228393750.db2.gz QNYXEPHTUWMHQO-OLZOCXBDSA-N -1 3 300.406 3.040 10 10 DGCEHM [O-]c1ccccc1CN[C@@H](c1ncon1)c1ccc(Cl)cc1 ZINC000122658301 431840733 /nfs/dbraw/zinc/84/07/33/431840733.db2.gz UQPOONZMCREKIZ-OAHLLOKOSA-N -1 3 315.760 3.308 10 10 DGCEHM C[C@H](N[C@@H](C)c1cc(Cl)ccc1[O-])c1nnc2n1CCCC2 ZINC000185585149 533975743 /nfs/dbraw/zinc/97/57/43/533975743.db2.gz ILQHPGRIMHSUNH-QWRGUYRKSA-N -1 3 320.824 3.385 10 10 DGCEHM Cc1cnn([C@@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)c1 ZINC000180140739 526265902 /nfs/dbraw/zinc/26/59/02/526265902.db2.gz VGGHVJMUJQFXTP-CQSZACIVSA-N -1 3 305.809 3.388 10 10 DGCEHM CC(C)c1nc([C@@H]2CCCN2Cc2cc(F)ccc2[O-])no1 ZINC000180031388 519867265 /nfs/dbraw/zinc/86/72/65/519867265.db2.gz YBUBWCUWRMSVFX-ZDUSSCGKSA-N -1 3 305.353 3.375 10 10 DGCEHM O=C(c1cccc(O)c1[O-])N(Cc1ccco1)C1CCCC1 ZINC000188257615 526770058 /nfs/dbraw/zinc/77/00/58/526770058.db2.gz MUHXUJCOKOQYRD-UHFFFAOYSA-N -1 3 301.342 3.276 10 10 DGCEHM C[C@H]1CN(C(=O)c2cc([O-])cs2)C[C@@H](c2ccccc2)O1 ZINC000731871065 574560513 /nfs/dbraw/zinc/56/05/13/574560513.db2.gz DAWJXXCFHAXUGG-FZMZJTMJSA-N -1 3 303.383 3.056 10 10 DGCEHM O=C(NCc1ccccc1OC(F)(F)F)c1cc([O-])cs1 ZINC000731865897 574560727 /nfs/dbraw/zinc/56/07/27/574560727.db2.gz AJNNUHLDPCHIJD-UHFFFAOYSA-N -1 3 317.288 3.282 10 10 DGCEHM O=C1N=C(Nc2cccc(O)c2)SC1=Cc1ccc([O-])cc1 ZINC000005590530 181261178 /nfs/dbraw/zinc/26/11/78/181261178.db2.gz SOEBHQCFYCRMJW-ZSOIEALJSA-N -1 3 312.350 3.180 10 10 DGCEHM Cc1cc(Cl)cc(CN2CCC[C@@H]2c2cnn(C)c2)c1[O-] ZINC000180053184 228354040 /nfs/dbraw/zinc/35/40/40/228354040.db2.gz MKFNQUPOWQGQNG-OAHLLOKOSA-N -1 3 305.809 3.425 10 10 DGCEHM C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000248526650 432298398 /nfs/dbraw/zinc/29/83/98/432298398.db2.gz VDCSXADDZVQGKQ-HKJPBSJPSA-N -1 3 303.789 3.355 10 10 DGCEHM CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000185682381 432524677 /nfs/dbraw/zinc/52/46/77/432524677.db2.gz SRFNPYJEFYZOGE-ZWNOBZJWSA-N -1 3 320.824 3.385 10 10 DGCEHM CCN(CCc1nccs1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000159419816 521179736 /nfs/dbraw/zinc/17/97/36/521179736.db2.gz GAMCCZLPEPVPNN-UHFFFAOYSA-N -1 3 322.405 3.255 10 10 DGCEHM Cc1nc([C@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])cs1 ZINC000190013251 527080133 /nfs/dbraw/zinc/08/01/33/527080133.db2.gz ONEFATXDLHGGAT-CYBMUJFWSA-N -1 3 318.398 3.148 10 10 DGCEHM CC(C)c1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccccc1[O-] ZINC000183552458 528331028 /nfs/dbraw/zinc/33/10/28/528331028.db2.gz SEOUUKAFAYWZHW-OCCSQVGLSA-N -1 3 300.406 3.293 10 10 DGCEHM O=C1N=C(Nc2ccc(O)cc2)SC1=Cc1ccccc1[O-] ZINC000016904711 182063461 /nfs/dbraw/zinc/06/34/61/182063461.db2.gz JCRFTVOPJDDINV-ZROIWOOFSA-N -1 3 312.350 3.180 10 10 DGCEHM CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(C)cc1[O-] ZINC000185683137 432523714 /nfs/dbraw/zinc/52/37/14/432523714.db2.gz JJXUDPUNCLIKDT-TZMCWYRMSA-N -1 3 300.406 3.040 10 10 DGCEHM Cc1cc(Cl)cc(CN(C)Cc2ncc(Cl)n2C)c1[O-] ZINC000181148325 524863239 /nfs/dbraw/zinc/86/32/39/524863239.db2.gz BQUKLYRACJDWQL-UHFFFAOYSA-N -1 3 314.216 3.373 10 10 DGCEHM C[C@H]1CN(C(=O)c2cc([O-])cs2)C[C@H](c2ccccc2)O1 ZINC000731871069 574560680 /nfs/dbraw/zinc/56/06/80/574560680.db2.gz DAWJXXCFHAXUGG-SMDDNHRTSA-N -1 3 303.383 3.056 10 10 DGCEHM Cc1nc(C)c(CNCc2cccc(Br)c2[O-])o1 ZINC000311837065 656016195 /nfs/dbraw/zinc/01/61/95/656016195.db2.gz MVGSPYSSIQMOMF-UHFFFAOYSA-N -1 3 311.179 3.049 10 10 DGCEHM Cc1ccc(C(=O)N2CC=C(c3cccs3)CC2)c([O-])c1O ZINC000179506512 228351874 /nfs/dbraw/zinc/35/18/74/228351874.db2.gz OCHRZXFMTBYHCM-UHFFFAOYSA-N -1 3 315.394 3.397 10 10 DGCEHM C[C@@H](N[C@@H](C)c1cn(-c2ccccc2)nn1)c1ccccc1[O-] ZINC000179896093 228353394 /nfs/dbraw/zinc/35/33/94/228353394.db2.gz QXANHHVYILGFLB-KGLIPLIRSA-N -1 3 308.385 3.385 10 10 DGCEHM Cn1cc([C@@H]2CCCN2Cc2c([O-])ccc(Cl)c2F)cn1 ZINC000191322746 432249485 /nfs/dbraw/zinc/24/94/85/432249485.db2.gz MTVWENICCGISEV-ZDUSSCGKSA-N -1 3 309.772 3.255 10 10 DGCEHM CCCOc1ccc(CN2CCO[C@H](c3ccco3)C2)c([O-])c1 ZINC000093841683 431916723 /nfs/dbraw/zinc/91/67/23/431916723.db2.gz PXWCWPHBBIBYGK-SFHVURJKSA-N -1 3 317.385 3.348 10 10 DGCEHM C[C@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000186151653 432563781 /nfs/dbraw/zinc/56/37/81/432563781.db2.gz RGTCKUKYDJLENJ-QMMMGPOBSA-N -1 3 317.286 3.134 10 10 DGCEHM CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185682330 432524063 /nfs/dbraw/zinc/52/40/63/432524063.db2.gz SRFNPYJEFYZOGE-GWCFXTLKSA-N -1 3 320.824 3.385 10 10 DGCEHM Cc1cnn([C@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)c1 ZINC000180140757 526268155 /nfs/dbraw/zinc/26/81/55/526268155.db2.gz VGGHVJMUJQFXTP-AWEZNQCLSA-N -1 3 305.809 3.388 10 10 DGCEHM CC(C)c1nc2c(n1C)CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000123311249 622508046 /nfs/dbraw/zinc/50/80/46/622508046.db2.gz MSOJFBGYPWMAJC-UHFFFAOYSA-N -1 3 319.836 3.461 10 10 DGCEHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H]1c1cccc(F)c1 ZINC000185785032 660242120 /nfs/dbraw/zinc/24/21/20/660242120.db2.gz CAAUELNAGVXHRO-MEDUHNTESA-N -1 3 315.344 3.460 10 10 DGCEHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1Br ZINC000126177918 1200501472 /nfs/dbraw/zinc/50/14/72/1200501472.db2.gz MBSZJJWCFAOEGY-UHFFFAOYSA-N -1 3 322.158 3.421 10 10 DGCEHM Cc1cc(Cl)cc(CN2CCO[C@@H](c3nccs3)C2)c1[O-] ZINC000180008244 228354413 /nfs/dbraw/zinc/35/44/13/228354413.db2.gz BQWJYWDPVDHLME-CYBMUJFWSA-N -1 3 324.833 3.384 10 10 DGCEHM [O-]c1ccc(Cl)c(F)c1CN1CCC(c2cc[nH]n2)CC1 ZINC000191303811 432247593 /nfs/dbraw/zinc/24/75/93/432247593.db2.gz VODRKQMOPSRKSP-UHFFFAOYSA-N -1 3 309.772 3.287 10 10 DGCEHM Cc1nnc([C@H](N[C@@H](C)c2ccccc2[O-])c2ccccc2)[nH]1 ZINC000154166109 432477877 /nfs/dbraw/zinc/47/78/77/432477877.db2.gz UXHGDYVOQICPFB-YVEFUNNKSA-N -1 3 308.385 3.259 10 10 DGCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1Cc1cccc(F)c1 ZINC000187030827 432643232 /nfs/dbraw/zinc/64/32/32/432643232.db2.gz NOELQGNONDKLMT-AWEZNQCLSA-N -1 3 315.344 3.084 10 10 DGCEHM C[C@H]1CCN(Cc2cccc(Cl)c2[O-])C[C@H]1n1ccnc1 ZINC000245863840 432866546 /nfs/dbraw/zinc/86/65/46/432866546.db2.gz PNIDRYUWTMGIGT-SWLSCSKDSA-N -1 3 305.809 3.325 10 10 DGCEHM CCc1nc(C2(NCc3cc(F)ccc3[O-])CCCC2)no1 ZINC000180598941 522244432 /nfs/dbraw/zinc/24/44/32/522244432.db2.gz MTILFKDYQKWUOC-UHFFFAOYSA-N -1 3 305.353 3.036 10 10 DGCEHM CCc1nc2n(n1)CCC[C@@H]2N[C@@H](CC)c1ccccc1[O-] ZINC000156314795 522514370 /nfs/dbraw/zinc/51/43/70/522514370.db2.gz LPFBPTBDZMYJOP-KBPBESRZSA-N -1 3 300.406 3.122 10 10 DGCEHM CC(C)c1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(F)ccc1[O-] ZINC000185685038 528331665 /nfs/dbraw/zinc/33/16/65/528331665.db2.gz XGOYGJCEVKYLHE-FZMZJTMJSA-N -1 3 318.396 3.432 10 10 DGCEHM Cc1cnc([C@@H](C)NCc2c([O-])cccc2Br)o1 ZINC000706821458 660873716 /nfs/dbraw/zinc/87/37/16/660873716.db2.gz HFDBMVINOIILLL-SECBINFHSA-N -1 3 311.179 3.302 10 10 DGCEHM C[C@@H](N[C@H]1CCCn2ncnc21)c1ccc2ccccc2c1[O-] ZINC000185662881 278384509 /nfs/dbraw/zinc/38/45/09/278384509.db2.gz SIPOXWFJGGHURO-WBMJQRKESA-N -1 3 308.385 3.323 10 10 DGCEHM Cc1csc([C@H]2CN(Cc3cc(Cl)ccc3[O-])CCO2)n1 ZINC000092789995 431911457 /nfs/dbraw/zinc/91/14/57/431911457.db2.gz XPKVLRRCXFJXQJ-CQSZACIVSA-N -1 3 324.833 3.384 10 10 DGCEHM C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000248526652 432297506 /nfs/dbraw/zinc/29/75/06/432297506.db2.gz VDCSXADDZVQGKQ-LZVXQISVSA-N -1 3 303.789 3.355 10 10 DGCEHM C[C@H](N[C@@H]1CCCn2ncnc21)c1ccc2ccccc2c1[O-] ZINC000185662823 432522900 /nfs/dbraw/zinc/52/29/00/432522900.db2.gz SIPOXWFJGGHURO-BLLLJJGKSA-N -1 3 308.385 3.323 10 10 DGCEHM C[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C[C@H]1n1ccnc1 ZINC000245863832 432866007 /nfs/dbraw/zinc/86/60/07/432866007.db2.gz PNIDRYUWTMGIGT-IUODEOHRSA-N -1 3 305.809 3.325 10 10 DGCEHM [O-]c1ccccc1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000179567634 534456470 /nfs/dbraw/zinc/45/64/70/534456470.db2.gz VNDNCVIIYKVEDM-OAHLLOKOSA-N -1 3 312.417 3.047 10 10 DGCEHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@H](c2ccccc2)O1 ZINC000731871063 574560636 /nfs/dbraw/zinc/56/06/36/574560636.db2.gz DAWJXXCFHAXUGG-BXUZGUMPSA-N -1 3 303.383 3.056 10 10 DGCEHM C[C@H](NCc1c([O-])cccc1Br)c1cscn1 ZINC000706804729 660873466 /nfs/dbraw/zinc/87/34/66/660873466.db2.gz NZEKRPPALLDRLR-QMMMGPOBSA-N -1 3 313.220 3.462 10 10 DGCEHM COC(=O)[C@@H](NCc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000050506548 655793411 /nfs/dbraw/zinc/79/34/11/655793411.db2.gz MLARMFSMMANVOA-HNNXBMFYSA-N -1 3 305.761 3.050 10 10 DGCEHM Cc1cnc([C@@H](C)NCc2cc(Br)ccc2[O-])o1 ZINC000231532308 659390662 /nfs/dbraw/zinc/39/06/62/659390662.db2.gz GBMGOUBRRDHKOE-SECBINFHSA-N -1 3 311.179 3.302 10 10 DGCEHM CCCN(Cc1nnc(C(C)C)n1C)Cc1ccccc1[O-] ZINC000170779133 432080475 /nfs/dbraw/zinc/08/04/75/432080475.db2.gz LBNZOAQWMKFUCC-UHFFFAOYSA-N -1 3 302.422 3.056 10 10 DGCEHM Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c([O-])c1O ZINC000179409562 292074224 /nfs/dbraw/zinc/07/42/24/292074224.db2.gz HOGYCNUBOLDBSV-VHSXEESVSA-N -1 3 317.307 3.257 10 10 DGCEHM Cc1cc(Cl)cc(CN2CCO[C@H](c3nccs3)C2)c1[O-] ZINC000180008225 228353846 /nfs/dbraw/zinc/35/38/46/228353846.db2.gz BQWJYWDPVDHLME-ZDUSSCGKSA-N -1 3 324.833 3.384 10 10 DGCEHM Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186096264 432557966 /nfs/dbraw/zinc/55/79/66/432557966.db2.gz BTJOHTFTLXWKGC-ZANVPECISA-N -1 3 306.797 3.131 10 10 DGCEHM Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000186096295 333216996 /nfs/dbraw/zinc/21/69/96/333216996.db2.gz BTJOHTFTLXWKGC-RNCFNFMXSA-N -1 3 306.797 3.131 10 10 DGCEHM Cc1csc([C@H]2COCCN2Cc2cc(Cl)ccc2[O-])n1 ZINC000190412607 432154049 /nfs/dbraw/zinc/15/40/49/432154049.db2.gz VCSSTHCQKSANHX-CYBMUJFWSA-N -1 3 324.833 3.384 10 10 DGCEHM Cc1ccc([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)c([O-])c1 ZINC000185586012 228393576 /nfs/dbraw/zinc/39/35/76/228393576.db2.gz QNYXEPHTUWMHQO-CHWSQXEVSA-N -1 3 300.406 3.040 10 10 DGCEHM Cc1nc([C@@H](NCc2ccccc2[O-])c2ccccc2F)no1 ZINC000114773731 431414477 /nfs/dbraw/zinc/41/44/77/431414477.db2.gz HCTIUXSRACTANL-INIZCTEOSA-N -1 3 313.332 3.102 10 10 DGCEHM CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185682348 432524050 /nfs/dbraw/zinc/52/40/50/432524050.db2.gz SRFNPYJEFYZOGE-GXFFZTMASA-N -1 3 320.824 3.385 10 10 DGCEHM COc1cc(Cl)cc(CN2CCO[C@H]3CCCC[C@@H]32)c1[O-] ZINC000184681924 533952017 /nfs/dbraw/zinc/95/20/17/533952017.db2.gz OHEMTXLBEIOJFJ-KBPBESRZSA-N -1 3 311.809 3.198 10 10 DGCEHM CN(Cc1nc2c(s1)CCCC2)Cc1cc(F)ccc1[O-] ZINC000180139093 523558277 /nfs/dbraw/zinc/55/82/77/523558277.db2.gz GLILCYJQLFAICU-UHFFFAOYSA-N -1 3 306.406 3.499 10 10 DGCEHM CC(C)c1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(F)cc1[O-] ZINC000185683896 528331882 /nfs/dbraw/zinc/33/18/82/528331882.db2.gz JAYPRKSLQLJLFR-FZMZJTMJSA-N -1 3 318.396 3.432 10 10 DGCEHM Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)c([O-])c1O ZINC000181772694 228363926 /nfs/dbraw/zinc/36/39/26/228363926.db2.gz KEYGHJOXJKJPHI-UHFFFAOYSA-N -1 3 309.365 3.336 10 10 DGCEHM COc1ccc(C2=NN[C@H](c3ccccc3Cl)C2)c([O-])c1 ZINC000008472960 431400140 /nfs/dbraw/zinc/40/01/40/431400140.db2.gz ISCCXJHZBXZIOO-AWEZNQCLSA-N -1 3 302.761 3.493 10 10 DGCEHM Cn1nccc1C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179981496 303065303 /nfs/dbraw/zinc/06/53/03/303065303.db2.gz LLDBTFDIITZGCH-UHFFFAOYSA-N -1 3 305.809 3.159 10 10 DGCEHM Cc1cc([C@@H]2CN(Cc3ccccc3[O-])CCO2)ccc1F ZINC000179579338 534047843 /nfs/dbraw/zinc/04/78/43/534047843.db2.gz WCDQHODGHVLYFK-SFHVURJKSA-N -1 3 301.361 3.413 10 10 DGCEHM CC(C)c1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(F)cc1[O-] ZINC000185683931 528331141 /nfs/dbraw/zinc/33/11/41/528331141.db2.gz JAYPRKSLQLJLFR-RISCZKNCSA-N -1 3 318.396 3.432 10 10 DGCEHM Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc([O-])cs1 ZINC000731912628 574561977 /nfs/dbraw/zinc/56/19/77/574561977.db2.gz VTFDMDRZAITNNP-UHFFFAOYSA-N -1 3 315.350 3.283 10 10 DGCEHM C[C@H]1CN(Cc2cccc(Br)c2[O-])CCS1 ZINC000131378344 626632186 /nfs/dbraw/zinc/63/21/86/626632186.db2.gz DQDPTPINDPWGNN-VIFPVBQESA-N -1 3 302.237 3.092 10 10 DGCEHM Cc1cnc([C@H](C)NCc2c([O-])cccc2Br)o1 ZINC000706821468 660873803 /nfs/dbraw/zinc/87/38/03/660873803.db2.gz HFDBMVINOIILLL-VIFPVBQESA-N -1 3 311.179 3.302 10 10 DGCEHM CC(=O)c1cc(F)cc(CN(C)Cc2ccc(Cl)nc2)c1[O-] ZINC000079438229 185171522 /nfs/dbraw/zinc/17/15/22/185171522.db2.gz VPOOWDSGBHYBHW-UHFFFAOYSA-N -1 3 322.767 3.414 10 10 DGCEHM Cn1nccc1C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191303600 432246665 /nfs/dbraw/zinc/24/66/65/432246665.db2.gz QGCXPVHCWKXSIN-UHFFFAOYSA-N -1 3 323.799 3.298 10 10 DGCEHM COc1ccc(C2=NN[C@@H](c3ccc(Cl)cc3)C2)c([O-])c1 ZINC000008472973 431399616 /nfs/dbraw/zinc/39/96/16/431399616.db2.gz SFFJXILVZJKTLU-CQSZACIVSA-N -1 3 302.761 3.493 10 10 DGCEHM COc1cc(Cl)cc(CN2CCC[C@H]2c2cnn(C)c2)c1[O-] ZINC000184688746 432420716 /nfs/dbraw/zinc/42/07/16/432420716.db2.gz OYTRQLDYNFEATN-AWEZNQCLSA-N -1 3 321.808 3.125 10 10 DGCEHM Cc1nnc([C@H](N[C@H](C)c2ccccc2[O-])c2ccccc2)[nH]1 ZINC000154166329 432478533 /nfs/dbraw/zinc/47/85/33/432478533.db2.gz UXHGDYVOQICPFB-SJKOYZFVSA-N -1 3 308.385 3.259 10 10 DGCEHM O=C(N[C@@H](c1ccco1)c1ccccc1)c1cccc(O)c1[O-] ZINC000186798167 432632438 /nfs/dbraw/zinc/63/24/38/432632438.db2.gz NINYQDIDKFPIDN-MRXNPFEDSA-N -1 3 309.321 3.210 10 10 DGCEHM Cc1ccc(C(=O)N2Cc3ccccc3C3(CC3)C2)c([O-])c1O ZINC000187291566 432656445 /nfs/dbraw/zinc/65/64/45/432656445.db2.gz DTUVYQIVMFVVPL-UHFFFAOYSA-N -1 3 309.365 3.094 10 10 DGCEHM CC(=O)c1cc(Cl)cc(CN2CC[C@]3(C2)CCCOC3)c1[O-] ZINC000375284845 337007140 /nfs/dbraw/zinc/00/71/40/337007140.db2.gz VEYDPBDYGYYMFL-KRWDZBQOSA-N -1 3 323.820 3.251 10 10 DGCEHM CC(=O)c1cc(F)cc(CN2CCC(OCC(C)C)CC2)c1[O-] ZINC000267459521 518284687 /nfs/dbraw/zinc/28/46/87/518284687.db2.gz RIDACTCDFPQWOO-UHFFFAOYSA-N -1 3 323.408 3.371 10 10 DGCEHM CCN(CC(=O)OC)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000728709252 576196686 /nfs/dbraw/zinc/19/66/86/576196686.db2.gz SLXKHWUOHYRROA-UHFFFAOYSA-N -1 3 313.353 3.287 10 10 DGCEHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H]1c1cccc(F)c1 ZINC000185785012 660242081 /nfs/dbraw/zinc/24/20/81/660242081.db2.gz CAAUELNAGVXHRO-BDJLRTHQSA-N -1 3 315.344 3.460 10 10 DGCEHM Cc1ccn(-c2ccccc2NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000179544620 655908248 /nfs/dbraw/zinc/90/82/48/655908248.db2.gz LHPPUAOEYKYKQZ-UHFFFAOYSA-N -1 3 323.352 3.153 10 10 DGCEHM [O-]c1ccc(Br)cc1CN[C@@H]1CCCC1(F)F ZINC000397934265 685232893 /nfs/dbraw/zinc/23/28/93/685232893.db2.gz CWWBABJCPLNZCT-LLVKDONJSA-N -1 3 306.150 3.432 10 10 DGCEHM O=C1N=C(Nc2cccc(O)c2)SC1=Cc1ccccc1[O-] ZINC000016904680 182063698 /nfs/dbraw/zinc/06/36/98/182063698.db2.gz LHAMHVPFXJRXEE-ZSOIEALJSA-N -1 3 312.350 3.180 10 10 DGCEHM Cc1ccc(C2=NN[C@H](c3cc(Br)ccc3[O-])C2)o1 ZINC000020390606 182213501 /nfs/dbraw/zinc/21/35/01/182213501.db2.gz JICGXWUYVVVXBZ-NSHDSACASA-N -1 3 321.174 3.495 10 10 DGCEHM Cc1cnn([C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000123024736 431852707 /nfs/dbraw/zinc/85/27/07/431852707.db2.gz HVSNAUDMNOTSCM-OAHLLOKOSA-N -1 3 305.809 3.388 10 10 DGCEHM COc1cc(OC)c(CN[C@@H](C)c2ccccc2[O-])c(OC)c1 ZINC000183430014 432292672 /nfs/dbraw/zinc/29/26/72/432292672.db2.gz OHRUQOPOZUFYIG-LBPRGKRZSA-N -1 3 317.385 3.269 10 10 DGCEHM C[C@@H](N[C@@H]1CCCn2ncnc21)c1ccc2ccccc2c1[O-] ZINC000185662841 432522038 /nfs/dbraw/zinc/52/20/38/432522038.db2.gz SIPOXWFJGGHURO-MLGOLLRUSA-N -1 3 308.385 3.323 10 10 DGCEHM [O-]c1ccc(Br)cc1CN[C@H]1COc2ccccc21 ZINC000105468279 526343851 /nfs/dbraw/zinc/34/38/51/526343851.db2.gz QXWDQQDJUNIPHQ-ZDUSSCGKSA-N -1 3 320.186 3.378 10 10 DGCEHM Cc1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c([O-])c1O ZINC000179499611 228351470 /nfs/dbraw/zinc/35/14/70/228351470.db2.gz DMKGXKREZTZOCN-SFHVURJKSA-N -1 3 301.386 3.369 10 10 DGCEHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](Oc2cccnc2)C1 ZINC000191407019 432262038 /nfs/dbraw/zinc/26/20/38/432262038.db2.gz MCAPARDTJKRNEH-GFCCVEGCSA-N -1 3 322.767 3.233 10 10 DGCEHM [O-]c1cccc2c1[C@@H](NCc1ccn(Cc3ccccc3)n1)CC2 ZINC000296246126 432888823 /nfs/dbraw/zinc/88/88/23/432888823.db2.gz BBFANFLLLDQIIZ-SFHVURJKSA-N -1 3 319.408 3.414 10 10 DGCEHM Cc1csc([C@@H]2COCCN2Cc2cc(Cl)ccc2[O-])n1 ZINC000190412590 293059190 /nfs/dbraw/zinc/05/91/90/293059190.db2.gz VCSSTHCQKSANHX-ZDUSSCGKSA-N -1 3 324.833 3.384 10 10 DGCEHM [O-]c1ccc(F)cc1CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000180599353 526349153 /nfs/dbraw/zinc/34/91/53/526349153.db2.gz FOTCXIQXPGXOEY-UHFFFAOYSA-N -1 3 317.364 3.351 10 10 DGCEHM CC[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1nccs1 ZINC000185087711 660201089 /nfs/dbraw/zinc/20/10/89/660201089.db2.gz NEXBPEMLOZMVNX-CYBMUJFWSA-N -1 3 308.378 3.431 10 10 DGCEHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H]1c1cccc(F)c1 ZINC000185784969 660242143 /nfs/dbraw/zinc/24/21/43/660242143.db2.gz CAAUELNAGVXHRO-BZNIZROVSA-N -1 3 315.344 3.460 10 10 DGCEHM Cc1nccn1C[C@@H]1CCCN1Cc1c([O-])ccc(Cl)c1F ZINC000191425895 282214598 /nfs/dbraw/zinc/21/45/98/282214598.db2.gz DDXWXSKCBQXXPP-LBPRGKRZSA-N -1 3 323.799 3.354 10 10 DGCEHM C[C@@H](N[C@H](C)c1ccccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000179896115 533535826 /nfs/dbraw/zinc/53/58/26/533535826.db2.gz QXANHHVYILGFLB-ZIAGYGMSSA-N -1 3 308.385 3.385 10 10 DGCEHM Cc1cc(C)cc([C@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)c1 ZINC000193161046 432456039 /nfs/dbraw/zinc/45/60/39/432456039.db2.gz XOKLFJJWDDYXPS-AWEZNQCLSA-N -1 3 311.381 3.344 10 10 DGCEHM COc1cc(Cl)cc(CN2CCO[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000184681942 432421350 /nfs/dbraw/zinc/42/13/50/432421350.db2.gz OHEMTXLBEIOJFJ-UONOGXRCSA-N -1 3 311.809 3.198 10 10 DGCEHM COc1cc(Cl)cc(CN[C@H]2COc3ccccc32)c1[O-] ZINC000228673764 432719485 /nfs/dbraw/zinc/71/94/85/432719485.db2.gz MDUJETJSTBLPIH-ZDUSSCGKSA-N -1 3 305.761 3.278 10 10 DGCEHM CCc1nc2n(n1)CCC[C@H]2N[C@H](CC)c1ccccc1[O-] ZINC000156315187 522518376 /nfs/dbraw/zinc/51/83/76/522518376.db2.gz LPFBPTBDZMYJOP-ZIAGYGMSSA-N -1 3 300.406 3.122 10 10 DGCEHM CC[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1nccs1 ZINC000185087694 660201106 /nfs/dbraw/zinc/20/11/06/660201106.db2.gz NEXBPEMLOZMVNX-ZDUSSCGKSA-N -1 3 308.378 3.431 10 10 DGCEHM CC(=O)c1cc(F)cc(CN2Cc3cccc(C#N)c3C2)c1[O-] ZINC000405075358 1199592866 /nfs/dbraw/zinc/59/28/66/1199592866.db2.gz HCNIZWIIMWQVIH-UHFFFAOYSA-N -1 3 310.328 3.121 10 10 DGCEHM Cc1cc(O)c2c(ccc3c2C(=O)c2cccc([O-])c2C3=O)c1 ZINC000004654726 181132557 /nfs/dbraw/zinc/13/25/57/181132557.db2.gz NFUYRESOTVGLRL-UHFFFAOYSA-N -1 3 304.301 3.335 10 10 in-vitro DGCEHM COCC(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000040870149 183145545 /nfs/dbraw/zinc/14/55/45/183145545.db2.gz XHMLXYFXDBNOPK-HXUWFJFHSA-N -1 3 321.376 3.397 10 10 DGCEHM C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1cc(Cl)ccc1[O-] ZINC000185585166 533509420 /nfs/dbraw/zinc/50/94/20/533509420.db2.gz ILQHPGRIMHSUNH-MNOVXSKESA-N -1 3 320.824 3.385 10 10 DGCEHM COc1ccc(C2=NN[C@@H](c3ccccc3Cl)C2)c([O-])c1 ZINC000008472980 431400455 /nfs/dbraw/zinc/40/04/55/431400455.db2.gz ISCCXJHZBXZIOO-CQSZACIVSA-N -1 3 302.761 3.493 10 10 DGCEHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H]1Cn1ccnc1 ZINC000191490544 432271389 /nfs/dbraw/zinc/27/13/89/432271389.db2.gz DKZFTOFPMJJOPV-NSHDSACASA-N -1 3 309.772 3.046 10 10 DGCEHM COc1cccc([C@@H]2CN(Cc3cc(F)ccc3[O-])CCO2)c1 ZINC000180072315 533734346 /nfs/dbraw/zinc/73/43/46/533734346.db2.gz OMPUVMUVICFVIS-SFHVURJKSA-N -1 3 317.360 3.113 10 10 DGCEHM CC(=O)c1cc(F)cc(CN(C)CCc2ncc(C)s2)c1[O-] ZINC000157642401 518282596 /nfs/dbraw/zinc/28/25/96/518282596.db2.gz GZVIRIRYNQRBTJ-UHFFFAOYSA-N -1 3 322.405 3.173 10 10 DGCEHM CCc1nc2n(n1)CCC[C@@H]2N[C@H](CC)c1ccccc1[O-] ZINC000156315055 522514237 /nfs/dbraw/zinc/51/42/37/522514237.db2.gz LPFBPTBDZMYJOP-KGLIPLIRSA-N -1 3 300.406 3.122 10 10 DGCEHM CC1(C)C[C@H](NC(=O)c2cccc(O)c2[O-])c2ccccc2O1 ZINC000193134060 662123600 /nfs/dbraw/zinc/12/36/00/662123600.db2.gz NMICAQCPIUOEKT-ZDUSSCGKSA-N -1 3 313.353 3.130 10 10 DGCEHM Cc1nc([C@H](NCc2ccccc2[O-])c2ccccc2F)no1 ZINC000114773728 431413508 /nfs/dbraw/zinc/41/35/08/431413508.db2.gz HCTIUXSRACTANL-MRXNPFEDSA-N -1 3 313.332 3.102 10 10 DGCEHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2cn[nH]c2)c1[O-] ZINC000175673233 432457320 /nfs/dbraw/zinc/45/73/20/432457320.db2.gz JEHINFUEVZOEOD-INIZCTEOSA-N -1 3 317.364 3.184 10 10 DGCEHM [O-]c1cccc2c1[C@H](NCc1ccn(Cc3ccccc3)n1)CC2 ZINC000296246118 432888845 /nfs/dbraw/zinc/88/88/45/432888845.db2.gz BBFANFLLLDQIIZ-GOSISDBHSA-N -1 3 319.408 3.414 10 10 DGCEHM CC(=O)c1cc(Cl)cc(CN(C(C)C)[C@@H]2CCOC2)c1[O-] ZINC000291148210 433225988 /nfs/dbraw/zinc/22/59/88/433225988.db2.gz ADNULUHCWHTVNM-CQSZACIVSA-N -1 3 311.809 3.248 10 10 DGCEHM COC(=O)[C@H](NCc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000050506546 655793340 /nfs/dbraw/zinc/79/33/40/655793340.db2.gz MLARMFSMMANVOA-OAHLLOKOSA-N -1 3 305.761 3.050 10 10 DGCEHM CC(=O)c1cc(Cl)cc(CN2CC(C)(C)[C@H]3COC[C@H]32)c1[O-] ZINC000385018929 1177151130 /nfs/dbraw/zinc/15/11/30/1177151130.db2.gz UWBBFLJZHXRONP-LSDHHAIUSA-N -1 3 323.820 3.105 10 10 DGCEHM C[C@@H](N[C@H](C)c1cc(Cl)ccc1[O-])c1nnc2n1CCCC2 ZINC000185585207 533532975 /nfs/dbraw/zinc/53/29/75/533532975.db2.gz ILQHPGRIMHSUNH-GHMZBOCLSA-N -1 3 320.824 3.385 10 10 DGCEHM Cc1nc(C[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000092813965 431912242 /nfs/dbraw/zinc/91/22/42/431912242.db2.gz YHXIPQLQGVWUON-LBPRGKRZSA-N -1 3 321.808 3.192 10 10 DGCEHM CCCOc1ccc(CN2CCO[C@@H](c3ccco3)C2)c([O-])c1 ZINC000093841684 431917847 /nfs/dbraw/zinc/91/78/47/431917847.db2.gz PXWCWPHBBIBYGK-GOSISDBHSA-N -1 3 317.385 3.348 10 10 DGCEHM Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(O)c2[O-])o1 ZINC000193089041 432447329 /nfs/dbraw/zinc/44/73/29/432447329.db2.gz BTTDSSMQPZYIAZ-ZDUSSCGKSA-N -1 3 301.342 3.367 10 10 DGCEHM Cc1nnc([C@@H](N[C@@H](C)c2ccccc2[O-])c2ccccc2)[nH]1 ZINC000154166217 432478410 /nfs/dbraw/zinc/47/84/10/432478410.db2.gz UXHGDYVOQICPFB-SJCJKPOMSA-N -1 3 308.385 3.259 10 10 DGCEHM CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(C)cc1[O-] ZINC000185683119 432524666 /nfs/dbraw/zinc/52/46/66/432524666.db2.gz JJXUDPUNCLIKDT-OCCSQVGLSA-N -1 3 300.406 3.040 10 10 DGCEHM Cc1ccc([C@H]2CCCCN2C(=O)c2cccc(O)c2[O-])o1 ZINC000193089055 301816657 /nfs/dbraw/zinc/81/66/57/301816657.db2.gz BTTDSSMQPZYIAZ-CYBMUJFWSA-N -1 3 301.342 3.367 10 10 DGCEHM [O-]c1ccc(F)cc1CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000180287033 526348394 /nfs/dbraw/zinc/34/83/94/526348394.db2.gz KLASXULQUTVEGO-CZUORRHYSA-N -1 3 323.314 3.117 10 10 DGCEHM CC(C)c1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(F)cc1[O-] ZINC000185683954 528332345 /nfs/dbraw/zinc/33/23/45/528332345.db2.gz JAYPRKSLQLJLFR-BXUZGUMPSA-N -1 3 318.396 3.432 10 10 DGCEHM CC(C)c1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(F)ccc1[O-] ZINC000185685063 528333225 /nfs/dbraw/zinc/33/32/25/528333225.db2.gz XGOYGJCEVKYLHE-SMDDNHRTSA-N -1 3 318.396 3.432 10 10 DGCEHM Cc1cnc([C@@H](C)NCc2ccc(Br)cc2[O-])o1 ZINC000700992962 660647651 /nfs/dbraw/zinc/64/76/51/660647651.db2.gz KVAGRSLZBOSONR-SECBINFHSA-N -1 3 311.179 3.302 10 10 DGCEHM O=C1CSc2ccc(NCc3cccc(F)c3[O-])cc2N1 ZINC000164986622 658960046 /nfs/dbraw/zinc/96/00/46/658960046.db2.gz GAUPWAATAHGOFG-UHFFFAOYSA-N -1 3 304.346 3.188 10 10 DGCEHM Cc1cnn([C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000123024968 431852517 /nfs/dbraw/zinc/85/25/17/431852517.db2.gz HVSNAUDMNOTSCM-HNNXBMFYSA-N -1 3 305.809 3.388 10 10 DGCEHM Cc1nc(C[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000092813966 431911747 /nfs/dbraw/zinc/91/17/47/431911747.db2.gz YHXIPQLQGVWUON-GFCCVEGCSA-N -1 3 321.808 3.192 10 10 DGCEHM Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000186096315 432558008 /nfs/dbraw/zinc/55/80/08/432558008.db2.gz BTJOHTFTLXWKGC-NOZJJQNGSA-N -1 3 306.797 3.131 10 10 DGCEHM CO[C@H](C)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000179474031 659930165 /nfs/dbraw/zinc/93/01/65/659930165.db2.gz KPOLHZHRZLLVIP-LLVKDONJSA-N -1 3 301.342 3.366 10 10 DGCEHM C[C@@H](N[C@@H](C)c1ccccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000179896108 533506537 /nfs/dbraw/zinc/50/65/37/533506537.db2.gz QXANHHVYILGFLB-UONOGXRCSA-N -1 3 308.385 3.385 10 10 DGCEHM Cc1cc([C@H]2CN(Cc3ccccc3[O-])CCO2)ccc1F ZINC000179579349 228352269 /nfs/dbraw/zinc/35/22/69/228352269.db2.gz WCDQHODGHVLYFK-GOSISDBHSA-N -1 3 301.361 3.413 10 10 DGCEHM C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccccc1[O-])c1ccccc1 ZINC000109771816 431179871 /nfs/dbraw/zinc/17/98/71/431179871.db2.gz VQEJIDZPNTYGKJ-HUUCEWRRSA-N -1 3 312.413 3.090 10 10 DGCEHM Cc1csc([C@@H]2CN(Cc3cc(Cl)ccc3[O-])CCO2)n1 ZINC000092789994 431912471 /nfs/dbraw/zinc/91/24/71/431912471.db2.gz XPKVLRRCXFJXQJ-AWEZNQCLSA-N -1 3 324.833 3.384 10 10 DGCEHM COc1cc(Cl)cc(CN2CCC[C@@H]2c2cnn(C)c2)c1[O-] ZINC000184688763 432420266 /nfs/dbraw/zinc/42/02/66/432420266.db2.gz OYTRQLDYNFEATN-CQSZACIVSA-N -1 3 321.808 3.125 10 10 DGCEHM CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(C)cc1[O-] ZINC000185683083 432524873 /nfs/dbraw/zinc/52/48/73/432524873.db2.gz JJXUDPUNCLIKDT-JSGCOSHPSA-N -1 3 300.406 3.040 10 10 DGCEHM CC(C)c1nnc2n1CCN(Cc1cc(Cl)ccc1[O-])[C@@H]2C ZINC000188450038 432724906 /nfs/dbraw/zinc/72/49/06/432724906.db2.gz GXIBMOISVCKNFH-LLVKDONJSA-N -1 3 320.824 3.337 10 10 DGCEHM Cc1cnc([C@@H](C)NCc2cccc(Br)c2[O-])o1 ZINC000227556191 659157665 /nfs/dbraw/zinc/15/76/65/659157665.db2.gz MFEZOICRDHJGTG-SECBINFHSA-N -1 3 311.179 3.302 10 10 DGCEHM