smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH3+])c1cc(Cl)cc(Br)c1O ZINC000024863215 346257602 /nfs/dbraw/zinc/25/76/02/346257602.db2.gz GEVWPFPWSITIJQ-SCSAIBSYSA-N 1 2 250.523 2.828 10 10 CFCELO [NH3+][C@H](CF)c1c(O)c(Cl)ccc1Br ZINC000306987125 348394315 /nfs/dbraw/zinc/39/43/15/348394315.db2.gz YGPBODPPVXCEDV-ZCFIWIBFSA-N 1 2 268.513 2.777 10 10 CFCELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(F)ccc1O ZINC000180209209 380633570 /nfs/dbraw/zinc/63/35/70/380633570.db2.gz ARNGJTSBNFCVAG-SNVBAGLBSA-N 1 2 283.343 2.693 10 10 CFCELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180209209 380633573 /nfs/dbraw/zinc/63/35/73/380633573.db2.gz ARNGJTSBNFCVAG-SNVBAGLBSA-N 1 2 283.343 2.693 10 10 CFCELO C[NH+](C)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000134163742 289316965 /nfs/dbraw/zinc/31/69/65/289316965.db2.gz JYFVYRHMXAHORY-LLVKDONJSA-N 1 2 289.206 2.835 10 10 CFCELO Oc1c(Cl)cccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000124695424 642301224 /nfs/dbraw/zinc/30/12/24/642301224.db2.gz JLDCHNCQTPDFQQ-NSHDSACASA-N 1 2 255.745 2.704 10 10 CFCELO C[C@@H]([NH3+])c1cc(Br)cc(Br)c1O ZINC000024863125 346257485 /nfs/dbraw/zinc/25/74/85/346257485.db2.gz YDGBUKKPUBCAEQ-SCSAIBSYSA-N 1 2 294.974 2.937 10 10 CFCELO CC1(C)C(c2ccccc2)=[N+](O)[C@@H](c2ccccc2O)N1O ZINC000140413994 347925577 /nfs/dbraw/zinc/92/55/77/347925577.db2.gz ZDXHVBOMPRRMMQ-MRXNPFEDSA-O 1 2 299.350 2.765 10 10 CFCELO CC[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@H](C)O1 ZINC000272301746 385504603 /nfs/dbraw/zinc/50/46/03/385504603.db2.gz PWDNYBWNGXHGNG-CMPLNLGQSA-N 1 2 253.317 2.531 10 10 CFCELO CC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@H](C)O1 ZINC000272301746 385504608 /nfs/dbraw/zinc/50/46/08/385504608.db2.gz PWDNYBWNGXHGNG-CMPLNLGQSA-N 1 2 253.317 2.531 10 10 CFCELO CC(C)[C@@H](CNCc1cccc(F)c1O)[NH+]1CCCC1 ZINC000164940695 519795081 /nfs/dbraw/zinc/79/50/81/519795081.db2.gz UCQVMDGDOOHMPB-OAHLLOKOSA-N 1 2 280.387 2.741 10 10 CFCELO [NH3+][C@H](c1cc(F)cc(Br)c1O)C1CC1 ZINC000095706836 650975642 /nfs/dbraw/zinc/97/56/42/650975642.db2.gz MIZHJMMWKVHNDJ-VIFPVBQESA-N 1 2 260.106 2.704 10 10 CFCELO [NH3+]C[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1O ZINC000131357019 645706533 /nfs/dbraw/zinc/70/65/33/645706533.db2.gz PVJVJTIWSRULGS-SNVBAGLBSA-N 1 2 275.179 2.622 10 10 CFCELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000220933131 647166064 /nfs/dbraw/zinc/16/60/64/647166064.db2.gz DNOHUYGSCNNNAI-LLVKDONJSA-N 1 2 258.321 2.769 10 10 CFCELO Cn1cc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)C2)cn1 ZINC000180331513 380645963 /nfs/dbraw/zinc/64/59/63/380645963.db2.gz QJWVWBZJMYNLCZ-LLVKDONJSA-N 1 2 291.782 2.769 10 10 CFCELO Cn1cc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)cn1 ZINC000180331513 380645966 /nfs/dbraw/zinc/64/59/66/380645966.db2.gz QJWVWBZJMYNLCZ-LLVKDONJSA-N 1 2 291.782 2.769 10 10 CFCELO COc1cc(Cl)cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1O ZINC000184670410 381459129 /nfs/dbraw/zinc/45/91/29/381459129.db2.gz SJXKUUWZJCATTR-NXEZZACHSA-N 1 2 285.771 2.663 10 10 CFCELO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](c2ccc(N)cc2)C1 ZINC000071257557 393639662 /nfs/dbraw/zinc/63/96/62/393639662.db2.gz LYKGTELGNPCUQI-ZDUSSCGKSA-N 1 2 291.395 2.762 10 10 CFCELO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](c2ccc(N)cc2)C1 ZINC000071257557 393639666 /nfs/dbraw/zinc/63/96/66/393639666.db2.gz LYKGTELGNPCUQI-ZDUSSCGKSA-N 1 2 291.395 2.762 10 10 CFCELO CC[NH+](CC)c1ccc(NN=c2n(C)cnn2C)cc1 ZINC000005139428 170070142 /nfs/dbraw/zinc/07/01/42/170070142.db2.gz QNLALUUFWRGCOR-UVTIVQHFSA-N 1 2 274.372 2.721 10 10 CFCELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(F)c2O)o1 ZINC000231530677 623355219 /nfs/dbraw/zinc/35/52/19/623355219.db2.gz KMJKGFXVQJDBJF-SECBINFHSA-N 1 2 250.273 2.679 10 10 CFCELO Oc1cc2c(cc1O)[C@H]1c3ccccc3CC[N@@H+]1CC2 ZINC000013739905 372046882 /nfs/dbraw/zinc/04/68/82/372046882.db2.gz ORHIGFQDQVYZPJ-QGZVFWFLSA-N 1 2 267.328 2.601 10 10 CFCELO Oc1cc2c(cc1O)[C@H]1c3ccccc3CC[N@H+]1CC2 ZINC000013739905 372046888 /nfs/dbraw/zinc/04/68/88/372046888.db2.gz ORHIGFQDQVYZPJ-QGZVFWFLSA-N 1 2 267.328 2.601 10 10 CFCELO Oc1c(Br)cccc1C[NH2+]CC1CC1 ZINC000042411518 372919694 /nfs/dbraw/zinc/91/96/94/372919694.db2.gz WBZQFBYTKCKCQC-UHFFFAOYSA-N 1 2 256.143 2.654 10 10 CFCELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000186096412 381822994 /nfs/dbraw/zinc/82/29/94/381822994.db2.gz SRGPXHHMTRUNDK-ZANVPECISA-N 1 2 290.342 2.617 10 10 CFCELO Nc1ccc([N@@H+]2CCC[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000584649137 383113697 /nfs/dbraw/zinc/11/36/97/383113697.db2.gz WHCMLYICVMMZML-SFHVURJKSA-N 1 2 293.370 2.759 10 10 CFCELO Nc1ccc([N@H+]2CCC[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000584649137 383113700 /nfs/dbraw/zinc/11/37/00/383113700.db2.gz WHCMLYICVMMZML-SFHVURJKSA-N 1 2 293.370 2.759 10 10 CFCELO CC[C@H]1C[N@H+](Cc2cccc(F)c2O)C[C@@H](C)O1 ZINC000272301749 385504288 /nfs/dbraw/zinc/50/42/88/385504288.db2.gz PWDNYBWNGXHGNG-PWSUYJOCSA-N 1 2 253.317 2.531 10 10 CFCELO CC[C@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@H](C)O1 ZINC000272301749 385504290 /nfs/dbraw/zinc/50/42/90/385504290.db2.gz PWDNYBWNGXHGNG-PWSUYJOCSA-N 1 2 253.317 2.531 10 10 CFCELO Oc1ccc2ccccc2c1C[N@@H+]1CCn2ccnc2C1 ZINC000096810791 650999343 /nfs/dbraw/zinc/99/93/43/650999343.db2.gz DDJXCZNIANLISZ-UHFFFAOYSA-N 1 2 279.343 2.758 10 10 CFCELO Oc1ccc2ccccc2c1C[N@H+]1CCn2ccnc2C1 ZINC000096810791 650999345 /nfs/dbraw/zinc/99/93/45/650999345.db2.gz DDJXCZNIANLISZ-UHFFFAOYSA-N 1 2 279.343 2.758 10 10 CFCELO Cc1cnc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000220933190 647166007 /nfs/dbraw/zinc/16/60/07/647166007.db2.gz DNOHUYGSCNNNAI-NSHDSACASA-N 1 2 258.321 2.769 10 10 CFCELO C[C@H]([NH3+])c1cc(Br)cc(Br)c1O ZINC000024863129 346257338 /nfs/dbraw/zinc/25/73/38/346257338.db2.gz YDGBUKKPUBCAEQ-BYPYZUCNSA-N 1 2 294.974 2.937 10 10 CFCELO Nc1ccc([NH2+]CCc2ccc3c(c2)OCCO3)cc1 ZINC000034939579 346318882 /nfs/dbraw/zinc/31/88/82/346318882.db2.gz ZUKXMFQJQJEPPX-UHFFFAOYSA-N 1 2 270.332 2.695 10 10 CFCELO Cc1ccccc1N1CCN(c2ccc([NH3+])cc2)CC1 ZINC000016124006 372099474 /nfs/dbraw/zinc/09/94/74/372099474.db2.gz QMRXGABSCRIFIU-UHFFFAOYSA-N 1 2 267.376 2.904 10 10 CFCELO CC[NH+](CC)c1ccc(NN=c2n(C)cnn2C)cc1 ZINC000005139429 170069926 /nfs/dbraw/zinc/06/99/26/170069926.db2.gz QNLALUUFWRGCOR-VUAZUDAXSA-N 1 2 274.372 2.721 10 10 CFCELO Oc1c(Cl)cc(Cl)cc1C[NH2+]CC1CC(O)C1 ZINC000091524479 334379710 /nfs/dbraw/zinc/37/97/10/334379710.db2.gz ZHPDVNMUVJEIGI-UHFFFAOYSA-N 1 2 276.163 2.560 10 10 CFCELO C[C@H]1[C@H]([NH3+])CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000310138619 619082033 /nfs/dbraw/zinc/08/20/33/619082033.db2.gz BSILSYBKRSSFHH-WRWORJQWSA-N 1 2 275.179 2.621 10 10 CFCELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000150989695 622802524 /nfs/dbraw/zinc/80/25/24/622802524.db2.gz IQRPVKGIQDHAFZ-ZDUSSCGKSA-N 1 2 292.423 2.915 10 10 CFCELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000150989695 622802530 /nfs/dbraw/zinc/80/25/30/622802530.db2.gz IQRPVKGIQDHAFZ-ZDUSSCGKSA-N 1 2 292.423 2.915 10 10 CFCELO Cc1nc(C[NH2+]Cc2cccc(F)c2O)cs1 ZINC000158734081 650235055 /nfs/dbraw/zinc/23/50/55/650235055.db2.gz NMZOTPNJYABQPY-UHFFFAOYSA-N 1 2 252.314 2.586 10 10 CFCELO COc1ccc(O)c(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000180491939 380668149 /nfs/dbraw/zinc/66/81/49/380668149.db2.gz MBUKXBUNFAHEOA-LLVKDONJSA-N 1 2 295.379 2.563 10 10 CFCELO COc1ccc(O)c(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000180491939 380668155 /nfs/dbraw/zinc/66/81/55/380668155.db2.gz MBUKXBUNFAHEOA-LLVKDONJSA-N 1 2 295.379 2.563 10 10 CFCELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000150989747 622802321 /nfs/dbraw/zinc/80/23/21/622802321.db2.gz IQRPVKGIQDHAFZ-CYBMUJFWSA-N 1 2 292.423 2.915 10 10 CFCELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000150989747 622802332 /nfs/dbraw/zinc/80/23/32/622802332.db2.gz IQRPVKGIQDHAFZ-CYBMUJFWSA-N 1 2 292.423 2.915 10 10 CFCELO Oc1c(F)c(Br)ccc1[C@@H]1CCC[NH2+]1 ZINC000238721468 348248563 /nfs/dbraw/zinc/24/85/63/348248563.db2.gz SJFBKICXYFIVMC-QMMMGPOBSA-N 1 2 260.106 2.718 10 10 CFCELO [NH3+][C@@H](CF)c1c(O)c(Br)ccc1Cl ZINC000306696678 382460660 /nfs/dbraw/zinc/46/06/60/382460660.db2.gz XTTGGBZOEPHXPF-LURJTMIESA-N 1 2 268.513 2.777 10 10 CFCELO [NH3+][C@@H](CF)c1ccc(Cl)c(Br)c1O ZINC000306951504 382462326 /nfs/dbraw/zinc/46/23/26/382462326.db2.gz DMBOVNYDEGHAIG-LURJTMIESA-N 1 2 268.513 2.777 10 10 CFCELO CC[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@@H](C)O1 ZINC000272301751 385504561 /nfs/dbraw/zinc/50/45/61/385504561.db2.gz PWDNYBWNGXHGNG-ZYHUDNBSSA-N 1 2 253.317 2.531 10 10 CFCELO CC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@H](C)O1 ZINC000272301751 385504565 /nfs/dbraw/zinc/50/45/65/385504565.db2.gz PWDNYBWNGXHGNG-ZYHUDNBSSA-N 1 2 253.317 2.531 10 10 CFCELO CC[C@@H]([NH2+][C@H](C(=O)OC)C(C)C)c1ccccc1O ZINC000035346431 172138558 /nfs/dbraw/zinc/13/85/58/172138558.db2.gz CEKXCDPBQOUIFD-OCCSQVGLSA-N 1 2 265.353 2.631 10 10 CFCELO Cc1noc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000038034357 326869141 /nfs/dbraw/zinc/86/91/41/326869141.db2.gz LMSYDWONAWUWDH-UHFFFAOYSA-N 1 2 286.379 2.658 10 10 CFCELO C[C@H]([NH3+])c1cc(Cl)cc(Br)c1O ZINC000024863219 346257659 /nfs/dbraw/zinc/25/76/59/346257659.db2.gz GEVWPFPWSITIJQ-BYPYZUCNSA-N 1 2 250.523 2.828 10 10 CFCELO [NH3+][C@H](CF)c1c(O)c(Br)ccc1Cl ZINC000306744033 348391678 /nfs/dbraw/zinc/39/16/78/348391678.db2.gz XTTGGBZOEPHXPF-ZCFIWIBFSA-N 1 2 268.513 2.777 10 10 CFCELO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000124833687 377094250 /nfs/dbraw/zinc/09/42/50/377094250.db2.gz LMHOKIGZVYTVKE-GWCFXTLKSA-N 1 2 269.772 2.686 10 10 CFCELO [NH3+]Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1O ZINC000575380401 382762674 /nfs/dbraw/zinc/76/26/74/382762674.db2.gz DALVXXSEFACDKC-UHFFFAOYSA-N 1 2 259.149 2.889 10 10 CFCELO Oc1cc2c(cc1O)[C@@H]1c3ccccc3CC[N@@H+]1CC2 ZINC000013739906 372046148 /nfs/dbraw/zinc/04/61/48/372046148.db2.gz ORHIGFQDQVYZPJ-KRWDZBQOSA-N 1 2 267.328 2.601 10 10 CFCELO Oc1cc2c(cc1O)[C@@H]1c3ccccc3CC[N@H+]1CC2 ZINC000013739906 372046156 /nfs/dbraw/zinc/04/61/56/372046156.db2.gz ORHIGFQDQVYZPJ-KRWDZBQOSA-N 1 2 267.328 2.601 10 10 CFCELO C[C@@H]1C[NH+](Cc2cccc(Cl)c2O)C[C@@H](C)O1 ZINC000124499449 377056136 /nfs/dbraw/zinc/05/61/36/377056136.db2.gz BCPOFIQJBVYIKZ-NXEZZACHSA-N 1 2 255.745 2.655 10 10 CFCELO COC(=O)[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)C(C)C ZINC000035629063 172308963 /nfs/dbraw/zinc/30/89/63/172308963.db2.gz GVYDLDCVYLZCKU-RISCZKNCSA-N 1 2 265.353 2.549 10 10 CFCELO C[NH+](C)c1ccc(NCc2cc3c(cc2O)OCO3)cc1 ZINC000059044601 522236568 /nfs/dbraw/zinc/23/65/68/522236568.db2.gz KTOJLBMHYDXGAA-UHFFFAOYSA-N 1 2 286.331 2.799 10 10 CFCELO [NH3+][C@@H](c1cc(F)cc(Br)c1O)C1CC1 ZINC000095716905 618287945 /nfs/dbraw/zinc/28/79/45/618287945.db2.gz MIZHJMMWKVHNDJ-SECBINFHSA-N 1 2 260.106 2.704 10 10 CFCELO [NH3+][C@H](CF)c1ccc(Cl)c(Br)c1O ZINC000307115620 348395804 /nfs/dbraw/zinc/39/58/04/348395804.db2.gz DMBOVNYDEGHAIG-ZCFIWIBFSA-N 1 2 268.513 2.777 10 10 CFCELO CC[C@H]([NH2+][C@H](C(=O)OC)C(C)C)c1ccccc1O ZINC000035346429 172138240 /nfs/dbraw/zinc/13/82/40/172138240.db2.gz CEKXCDPBQOUIFD-JSGCOSHPSA-N 1 2 265.353 2.631 10 10 CFCELO COC(=O)[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)C(C)C ZINC000035346204 172138801 /nfs/dbraw/zinc/13/88/01/172138801.db2.gz BXGUKZMAWGTGKU-RISCZKNCSA-N 1 2 265.353 2.549 10 10 CFCELO CCN1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124731385 642309547 /nfs/dbraw/zinc/30/95/47/642309547.db2.gz DYODWUDNQYSYMI-GFCCVEGCSA-N 1 2 268.788 2.620 10 10 CFCELO [NH3+]C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1O ZINC000131357263 645706682 /nfs/dbraw/zinc/70/66/82/645706682.db2.gz PVJVJTIWSRULGS-JTQLQIEISA-N 1 2 275.179 2.622 10 10 CFCELO C[C@@H](c1cc(Br)ccc1O)[NH+]1CCOCC1 ZINC000132447418 347884812 /nfs/dbraw/zinc/88/48/12/347884812.db2.gz SSYJOWNPOSFZLO-VIFPVBQESA-N 1 2 286.169 2.548 10 10 CFCELO COC(=O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000037417002 173194508 /nfs/dbraw/zinc/19/45/08/173194508.db2.gz CUWRLGMFVBZRRH-UHFFFAOYSA-N 1 2 292.162 2.742 10 10 CFCELO CC(C)[NH+](CCNCc1cccc(F)c1O)C(C)C ZINC000158662342 519647919 /nfs/dbraw/zinc/64/79/19/519647919.db2.gz GBAKGPJKCAOWCS-UHFFFAOYSA-N 1 2 268.376 2.740 10 10 CFCELO CC(C)N(CC[NH2+]Cc1cccc(F)c1O)C(C)C ZINC000158662342 519647921 /nfs/dbraw/zinc/64/79/21/519647921.db2.gz GBAKGPJKCAOWCS-UHFFFAOYSA-N 1 2 268.376 2.740 10 10 CFCELO C[NH+](C)c1ccc(NCc2cccc(O)c2O)cc1 ZINC000058491987 522235765 /nfs/dbraw/zinc/23/57/65/522235765.db2.gz ZMCOKHCFDNZCNF-UHFFFAOYSA-N 1 2 258.321 2.776 10 10 CFCELO CC(C)[C@@H]([NH3+])c1cc(F)cc(Br)c1O ZINC000095716882 618287918 /nfs/dbraw/zinc/28/79/18/618287918.db2.gz QUEIBLWVXSQLQP-SECBINFHSA-N 1 2 262.122 2.950 10 10 CFCELO C[C@H]1C[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000052275728 346518647 /nfs/dbraw/zinc/51/86/47/346518647.db2.gz XEVJSIZXRADBQE-XVKPBYJWSA-N 1 2 256.143 2.653 10 10 CFCELO CC(=O)c1cc(Cl)cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1O ZINC000037322621 260089657 /nfs/dbraw/zinc/08/96/57/260089657.db2.gz BSUXPXQGVZVSDT-UWVGGRQHSA-N 1 2 297.782 2.857 10 10 CFCELO C[C@H](c1cc(Br)ccc1O)[NH+]1CCOCC1 ZINC000132447622 347884785 /nfs/dbraw/zinc/88/47/85/347884785.db2.gz SSYJOWNPOSFZLO-SECBINFHSA-N 1 2 286.169 2.548 10 10 CFCELO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000179631967 291326835 /nfs/dbraw/zinc/32/68/35/291326835.db2.gz YNWGSJLTLPZXFM-LBPRGKRZSA-N 1 2 283.755 2.573 10 10 CFCELO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000179631967 291326838 /nfs/dbraw/zinc/32/68/38/291326838.db2.gz YNWGSJLTLPZXFM-LBPRGKRZSA-N 1 2 283.755 2.573 10 10 CFCELO CC(C)[C@H]([NH3+])c1cc(F)cc(Br)c1O ZINC000095706824 650975681 /nfs/dbraw/zinc/97/56/81/650975681.db2.gz QUEIBLWVXSQLQP-VIFPVBQESA-N 1 2 262.122 2.950 10 10 CFCELO C[NH+](C)c1ccc(NNc2ccccc2[N+](=O)[O-])cc1 ZINC000070461095 374182961 /nfs/dbraw/zinc/18/29/61/374182961.db2.gz MUAZFZUQSYNKQA-PMLWWNAGSA-N 1 2 272.308 2.976 10 10 CFCELO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000124834356 377095316 /nfs/dbraw/zinc/09/53/16/377095316.db2.gz LMHOKIGZVYTVKE-ZWNOBZJWSA-N 1 2 269.772 2.686 10 10 CFCELO COc1cccc(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000131523973 377723240 /nfs/dbraw/zinc/72/32/40/377723240.db2.gz OZLNTHDQZIPZBI-LLVKDONJSA-N 1 2 295.379 2.563 10 10 CFCELO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000131523973 377723247 /nfs/dbraw/zinc/72/32/47/377723247.db2.gz OZLNTHDQZIPZBI-LLVKDONJSA-N 1 2 295.379 2.563 10 10 CFCELO Cc1ccc2[nH+]c(COc3ccc(N)cc3)cn2c1 ZINC000038055549 174067134 /nfs/dbraw/zinc/06/71/34/174067134.db2.gz JVFFITYEHGWIGK-UHFFFAOYSA-N 1 2 253.305 2.804 10 10 CFCELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000227555562 623113470 /nfs/dbraw/zinc/11/34/70/623113470.db2.gz LLZCVZZCXFLBLB-GFCCVEGCSA-N 1 2 259.353 2.900 10 10 CFCELO COc1c(C)c[nH+]c(COc2ccc(N)cc2)c1C ZINC000019844386 372197448 /nfs/dbraw/zinc/19/74/48/372197448.db2.gz KBIUZMGJOOMGSY-UHFFFAOYSA-N 1 2 258.321 2.868 10 10 CFCELO COc1cc(Cl)cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1O ZINC000184670396 381458872 /nfs/dbraw/zinc/45/88/72/381458872.db2.gz SJXKUUWZJCATTR-UWVGGRQHSA-N 1 2 285.771 2.663 10 10 CFCELO [NH3+][C@@H](CF)c1cc(Cl)cc(Br)c1O ZINC000307277719 382465462 /nfs/dbraw/zinc/46/54/62/382465462.db2.gz SGNLAIUUTJDYFH-ZETCQYMHSA-N 1 2 268.513 2.777 10 10 CFCELO CCC[C@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC000272337635 385513178 /nfs/dbraw/zinc/51/31/78/385513178.db2.gz XYCDWRLTKMLOSZ-LBPRGKRZSA-N 1 2 253.317 2.532 10 10 CFCELO CCC[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC000272337635 385513182 /nfs/dbraw/zinc/51/31/82/385513182.db2.gz XYCDWRLTKMLOSZ-LBPRGKRZSA-N 1 2 253.317 2.532 10 10 CFCELO Cc1cccn2cc(COc3ccc(N)cc3)[nH+]c12 ZINC000038055550 174067137 /nfs/dbraw/zinc/06/71/37/174067137.db2.gz MFAFWLSCFQDVFP-UHFFFAOYSA-N 1 2 253.305 2.804 10 10 CFCELO C[C@@H]1C[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000052275726 346518304 /nfs/dbraw/zinc/51/83/04/346518304.db2.gz XEVJSIZXRADBQE-XCBNKYQSSA-N 1 2 256.143 2.653 10 10 CFCELO [NH3+]Cc1c(O)c(C(F)(F)F)ccc1C(F)(F)F ZINC000575381861 382762973 /nfs/dbraw/zinc/76/29/73/382762973.db2.gz YZUPNUCLGLYKMR-UHFFFAOYSA-N 1 2 259.149 2.889 10 10 CFCELO Cc1cccc(C[NH2+]CC(F)(F)C(F)F)c1O ZINC000191765580 524430842 /nfs/dbraw/zinc/43/08/42/524430842.db2.gz RLVGRCOCUKVQDK-UHFFFAOYSA-N 1 2 251.223 2.691 10 10 CFCELO Cc1cnc([C@H](C)[NH2+]Cc2cccc(F)c2O)o1 ZINC000231530693 623355292 /nfs/dbraw/zinc/35/52/92/623355292.db2.gz KMJKGFXVQJDBJF-VIFPVBQESA-N 1 2 250.273 2.679 10 10 CFCELO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc(Cl)c1O ZINC000124597568 642272064 /nfs/dbraw/zinc/27/20/64/642272064.db2.gz NUFJNUDVXURZRG-CYBMUJFWSA-N 1 2 282.815 2.962 10 10 CFCELO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cccc(Cl)c1O ZINC000124597568 642272066 /nfs/dbraw/zinc/27/20/66/642272066.db2.gz NUFJNUDVXURZRG-CYBMUJFWSA-N 1 2 282.815 2.962 10 10 CFCELO Oc1c(Br)cc(Cl)cc1[C@@H]1CC[NH2+]1 ZINC000238710188 348248642 /nfs/dbraw/zinc/24/86/42/348248642.db2.gz DAADPWYCSMQZSD-QMMMGPOBSA-N 1 2 262.534 2.843 10 10 CFCELO Nc1ccc(Nc2cnn(Cc3ccccc3)c2)[nH+]c1 ZINC000307366618 348398768 /nfs/dbraw/zinc/39/87/68/348398768.db2.gz NPOJHKVLEWJLHS-UHFFFAOYSA-N 1 2 265.320 2.652 10 10 CFCELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000186096426 381822946 /nfs/dbraw/zinc/82/29/46/381822946.db2.gz SRGPXHHMTRUNDK-TVQRCGJNSA-N 1 2 290.342 2.617 10 10 CFCELO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000189993104 382649438 /nfs/dbraw/zinc/64/94/38/382649438.db2.gz AGDCSECPSMFAOP-AWEZNQCLSA-N 1 2 283.755 2.573 10 10 CFCELO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000189993104 382649439 /nfs/dbraw/zinc/64/94/39/382649439.db2.gz AGDCSECPSMFAOP-AWEZNQCLSA-N 1 2 283.755 2.573 10 10 CFCELO Nc1ccc([N@@H+]2CCC[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000584649135 383113603 /nfs/dbraw/zinc/11/36/03/383113603.db2.gz WHCMLYICVMMZML-GOSISDBHSA-N 1 2 293.370 2.759 10 10 CFCELO Nc1ccc([N@H+]2CCC[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000584649135 383113609 /nfs/dbraw/zinc/11/36/09/383113609.db2.gz WHCMLYICVMMZML-GOSISDBHSA-N 1 2 293.370 2.759 10 10 CFCELO CC[C@H]1C[N@H+](Cc2cccc(F)c2O)C[C@H](C)O1 ZINC000272301747 385504444 /nfs/dbraw/zinc/50/44/44/385504444.db2.gz PWDNYBWNGXHGNG-JQWIXIFHSA-N 1 2 253.317 2.531 10 10 CFCELO CC[C@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@H](C)O1 ZINC000272301747 385504446 /nfs/dbraw/zinc/50/44/46/385504446.db2.gz PWDNYBWNGXHGNG-JQWIXIFHSA-N 1 2 253.317 2.531 10 10 CFCELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccccc1O)C2 ZINC000179572948 393468035 /nfs/dbraw/zinc/46/80/35/393468035.db2.gz FIKBCGVZSFSOGA-UHFFFAOYSA-N 1 2 285.391 2.807 10 10 CFCELO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](c2ccc(N)cc2)C1 ZINC000071257556 393639816 /nfs/dbraw/zinc/63/98/16/393639816.db2.gz LYKGTELGNPCUQI-CYBMUJFWSA-N 1 2 291.395 2.762 10 10 CFCELO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](c2ccc(N)cc2)C1 ZINC000071257556 393639821 /nfs/dbraw/zinc/63/98/21/393639821.db2.gz LYKGTELGNPCUQI-CYBMUJFWSA-N 1 2 291.395 2.762 10 10 CFCELO Nc1[nH+]cccc1OCc1cccc2cccnc21 ZINC000020483644 171223833 /nfs/dbraw/zinc/22/38/33/171223833.db2.gz TWDRFXCVPYWDPT-UHFFFAOYSA-N 1 2 251.289 2.791 10 10 CFCELO Nc1ccc(Nc2ccc3c(c2)OCCCO3)[nH+]c1 ZINC000020585017 171258606 /nfs/dbraw/zinc/25/86/06/171258606.db2.gz CUARPTZWQMNJAB-UHFFFAOYSA-N 1 2 257.293 2.569 10 10 CFCELO CCN1CCC[C@@H]1C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000156081885 650042881 /nfs/dbraw/zinc/04/28/81/650042881.db2.gz BXCBLURGCDAADR-CQSZACIVSA-N 1 2 282.815 2.962 10 10 CFCELO CCN1CCC[C@@H]1C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000156081885 650042884 /nfs/dbraw/zinc/04/28/84/650042884.db2.gz BXCBLURGCDAADR-CQSZACIVSA-N 1 2 282.815 2.962 10 10 CFCELO CCN1CCC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124731225 642309026 /nfs/dbraw/zinc/30/90/26/642309026.db2.gz DYODWUDNQYSYMI-LBPRGKRZSA-N 1 2 268.788 2.620 10 10 CFCELO Nc1[nH+]ccc(F)c1OCc1c(F)cccc1F ZINC000143949210 347939266 /nfs/dbraw/zinc/93/92/66/347939266.db2.gz CNKFSUBSMWGPAE-UHFFFAOYSA-N 1 2 254.211 2.660 10 10 CFCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)c1O ZINC000296374062 381367966 /nfs/dbraw/zinc/36/79/66/381367966.db2.gz STACGRWTQBGMGH-LKFCYVNXSA-N 1 2 297.782 2.593 10 10 CFCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)c1O ZINC000296374062 381367968 /nfs/dbraw/zinc/36/79/68/381367968.db2.gz STACGRWTQBGMGH-LKFCYVNXSA-N 1 2 297.782 2.593 10 10 CFCELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000189993087 382649505 /nfs/dbraw/zinc/64/95/05/382649505.db2.gz AGDCSECPSMFAOP-CQSZACIVSA-N 1 2 283.755 2.573 10 10 CFCELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000189993087 382649507 /nfs/dbraw/zinc/64/95/07/382649507.db2.gz AGDCSECPSMFAOP-CQSZACIVSA-N 1 2 283.755 2.573 10 10 CFCELO COc1cccc(N2CCN(c3ccc([NH3+])cc3)CC2)c1 ZINC000008030919 393468144 /nfs/dbraw/zinc/46/81/44/393468144.db2.gz RETMWDAXSDJOBI-UHFFFAOYSA-N 1 2 283.375 2.604 10 10 CFCELO COC(=O)[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)C(C)C ZINC000035629064 172308711 /nfs/dbraw/zinc/30/87/11/172308711.db2.gz GVYDLDCVYLZCKU-FZMZJTMJSA-N 1 2 265.353 2.549 10 10 CFCELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(F)cc1O ZINC000186096443 302675723 /nfs/dbraw/zinc/67/57/23/302675723.db2.gz SRGPXHHMTRUNDK-RNCFNFMXSA-N 1 2 290.342 2.617 10 10 CFCELO COc1ccc2[nH]c(Cc3ccc(N)cc3)[nH+]c2c1 ZINC000006786790 170243535 /nfs/dbraw/zinc/24/35/35/170243535.db2.gz LKJXZUBNHMXWLQ-UHFFFAOYSA-N 1 2 253.305 2.745 10 10 CFCELO CCC[C@@H]([NH2+]Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000156563855 520782649 /nfs/dbraw/zinc/78/26/49/520782649.db2.gz CDSINNGAFJFVJP-CYBMUJFWSA-N 1 2 279.380 2.992 10 10 CFCELO CC1(C)C(c2ccccc2)=[N+](O)[C@H](c2ccccc2O)N1O ZINC000140413831 347925368 /nfs/dbraw/zinc/92/53/68/347925368.db2.gz ZDXHVBOMPRRMMQ-INIZCTEOSA-O 1 2 299.350 2.765 10 10 CFCELO Oc1c(Br)cc(F)cc1[C@H]1CCC[NH2+]1 ZINC000218372016 348166502 /nfs/dbraw/zinc/16/65/02/348166502.db2.gz HWWZUUDENWFTSE-SECBINFHSA-N 1 2 260.106 2.718 10 10 CFCELO [NH3+][C@H](CF)c1cc(Cl)cc(Br)c1O ZINC000307092864 348395852 /nfs/dbraw/zinc/39/58/52/348395852.db2.gz SGNLAIUUTJDYFH-SSDOTTSWSA-N 1 2 268.513 2.777 10 10 CFCELO Cn1cccc1-c1n[nH]cc1-c1ccc2[nH+]ccn2c1 ZINC000089201371 374887176 /nfs/dbraw/zinc/88/71/76/374887176.db2.gz YZLKBUWHKLNNAK-UHFFFAOYSA-N 1 2 263.304 2.730 10 10 CFCELO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000180056315 380615779 /nfs/dbraw/zinc/61/57/79/380615779.db2.gz WIRPNEZEORWQTH-ZDUSSCGKSA-N 1 2 294.351 2.561 10 10 CFCELO Oc1ccc(F)cc1C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000180056315 380615788 /nfs/dbraw/zinc/61/57/88/380615788.db2.gz WIRPNEZEORWQTH-ZDUSSCGKSA-N 1 2 294.351 2.561 10 10 CFCELO CN(Cc1cn2ccccc2[nH+]1)c1ccc(N)cc1 ZINC000020374681 171170102 /nfs/dbraw/zinc/17/01/02/171170102.db2.gz RNQZUKGWKAOEFW-UHFFFAOYSA-N 1 2 252.321 2.553 10 10 CFCELO CC(C)[C@H](CNCc1cccc(F)c1O)[NH+]1CCCC1 ZINC000164940827 519815982 /nfs/dbraw/zinc/81/59/82/519815982.db2.gz UCQVMDGDOOHMPB-HNNXBMFYSA-N 1 2 280.387 2.741 10 10 CFCELO CCN1CCC[C@H]1C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000156081999 650042774 /nfs/dbraw/zinc/04/27/74/650042774.db2.gz BXCBLURGCDAADR-AWEZNQCLSA-N 1 2 282.815 2.962 10 10 CFCELO CCN1CCC[C@H]1C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000156081999 650042778 /nfs/dbraw/zinc/04/27/78/650042778.db2.gz BXCBLURGCDAADR-AWEZNQCLSA-N 1 2 282.815 2.962 10 10 CFCELO Oc1c(Br)cccc1C[NH2+]C1CCC1 ZINC000052208980 346517953 /nfs/dbraw/zinc/51/79/53/346517953.db2.gz AADVJWXPJXBTCW-UHFFFAOYSA-N 1 2 256.143 2.797 10 10 CFCELO Oc1c(F)cc(Br)cc1[C@H]1CCC[NH2+]1 ZINC000238722608 348248732 /nfs/dbraw/zinc/24/87/32/348248732.db2.gz FDBWGQRAUPSKHP-SECBINFHSA-N 1 2 260.106 2.718 10 10 CFCELO C[C@H]1C[NH+](Cc2cccc(Cl)c2O)C[C@H](C)O1 ZINC000124499201 377056976 /nfs/dbraw/zinc/05/69/76/377056976.db2.gz BCPOFIQJBVYIKZ-UWVGGRQHSA-N 1 2 255.745 2.655 10 10 CFCELO COc1cccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000131523759 377721670 /nfs/dbraw/zinc/72/16/70/377721670.db2.gz OZLNTHDQZIPZBI-NSHDSACASA-N 1 2 295.379 2.563 10 10 CFCELO COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000131523759 377721675 /nfs/dbraw/zinc/72/16/75/377721675.db2.gz OZLNTHDQZIPZBI-NSHDSACASA-N 1 2 295.379 2.563 10 10 CFCELO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000180056333 380615622 /nfs/dbraw/zinc/61/56/22/380615622.db2.gz WIRPNEZEORWQTH-CYBMUJFWSA-N 1 2 294.351 2.561 10 10 CFCELO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000180056333 380615628 /nfs/dbraw/zinc/61/56/28/380615628.db2.gz WIRPNEZEORWQTH-CYBMUJFWSA-N 1 2 294.351 2.561 10 10 CFCELO CCC[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC000272337633 385513215 /nfs/dbraw/zinc/51/32/15/385513215.db2.gz XYCDWRLTKMLOSZ-GFCCVEGCSA-N 1 2 253.317 2.532 10 10 CFCELO CCC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC000272337633 385513216 /nfs/dbraw/zinc/51/32/16/385513216.db2.gz XYCDWRLTKMLOSZ-GFCCVEGCSA-N 1 2 253.317 2.532 10 10 CFCELO Nc1[nH+]cccc1OCc1ccc2ccccc2n1 ZINC000020483646 171223873 /nfs/dbraw/zinc/22/38/73/171223873.db2.gz XVPRYNWBCPZMFZ-UHFFFAOYSA-N 1 2 251.289 2.791 10 10 CFCELO C[NH+](C)c1ccc(NNc2ccccc2[N+](=O)[O-])cc1 ZINC000070461098 175942887 /nfs/dbraw/zinc/94/28/87/175942887.db2.gz MUAZFZUQSYNKQA-CZYXKEEPSA-N 1 2 272.308 2.976 10 10 CFCELO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000310138617 618268540 /nfs/dbraw/zinc/26/85/40/618268540.db2.gz BSILSYBKRSSFHH-HQJQHLMTSA-N 1 2 275.179 2.621 10 10 CFCELO Oc1c(F)cccc1C[NH2+]CC(F)(F)C(F)F ZINC000236553889 526328292 /nfs/dbraw/zinc/32/82/92/526328292.db2.gz ZVNPQENXGIPCEV-UHFFFAOYSA-N 1 2 255.186 2.521 10 10 CFCELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000227555567 623113255 /nfs/dbraw/zinc/11/32/55/623113255.db2.gz LLZCVZZCXFLBLB-LBPRGKRZSA-N 1 2 259.353 2.900 10 10 CFCELO Oc1c(Br)cccc1[C@@H]1CCCC[NH2+]1 ZINC000096884317 185120316 /nfs/dbraw/zinc/12/03/16/185120316.db2.gz OLICCICJCCGFIG-JTQLQIEISA-N 1 2 256.143 2.969 10 10 CFCELO CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CC[NH2+]C1 ZINC000071311990 176119002 /nfs/dbraw/zinc/11/90/02/176119002.db2.gz DYLUZMJZINODAT-NSHDSACASA-N 1 2 289.206 2.883 10 10 CFCELO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CC[NH2+]C1 ZINC000071311990 176119003 /nfs/dbraw/zinc/11/90/03/176119003.db2.gz DYLUZMJZINODAT-NSHDSACASA-N 1 2 289.206 2.883 10 10 CFCELO CCN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CC[NH2+]C1 ZINC000071311990 176119005 /nfs/dbraw/zinc/11/90/05/176119005.db2.gz DYLUZMJZINODAT-NSHDSACASA-N 1 2 289.206 2.883 10 10 CFCELO CCC[C@H]([NH2+]Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000156563722 521163525 /nfs/dbraw/zinc/16/35/25/521163525.db2.gz CDSINNGAFJFVJP-ZDUSSCGKSA-N 1 2 279.380 2.992 10 10 CFCELO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC000272254616 521722583 /nfs/dbraw/zinc/72/25/83/521722583.db2.gz CMDFPJDCUSPKCV-KGLIPLIRSA-N 1 2 278.371 2.590 10 10 CFCELO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC000272254616 521722585 /nfs/dbraw/zinc/72/25/85/521722585.db2.gz CMDFPJDCUSPKCV-KGLIPLIRSA-N 1 2 278.371 2.590 10 10 CFCELO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc(Cl)c1O ZINC000124597827 642271696 /nfs/dbraw/zinc/27/16/96/642271696.db2.gz NUFJNUDVXURZRG-ZDUSSCGKSA-N 1 2 282.815 2.962 10 10 CFCELO CC[N@H+]1CCC[C@H]1CN(C)Cc1cccc(Cl)c1O ZINC000124597827 642271699 /nfs/dbraw/zinc/27/16/99/642271699.db2.gz NUFJNUDVXURZRG-ZDUSSCGKSA-N 1 2 282.815 2.962 10 10 CFCELO Oc1c(Br)cc(F)cc1[C@@H]1CCC[NH2+]1 ZINC000218371946 348166753 /nfs/dbraw/zinc/16/67/53/348166753.db2.gz HWWZUUDENWFTSE-VIFPVBQESA-N 1 2 260.106 2.718 10 10 CFCELO Cc1nc(N(Cc2ccc(N)cc2)C2CC2)cc[nH+]1 ZINC000054936952 527344563 /nfs/dbraw/zinc/34/45/63/527344563.db2.gz DKNSCUJMLKBPCX-UHFFFAOYSA-N 1 2 254.337 2.536 10 10 CFCELO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000122286407 638979028 /nfs/dbraw/zinc/97/90/28/638979028.db2.gz JKSAZXRSDOKBKU-LBPRGKRZSA-N 1 2 283.755 2.573 10 10 CFCELO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000122286407 638979029 /nfs/dbraw/zinc/97/90/29/638979029.db2.gz JKSAZXRSDOKBKU-LBPRGKRZSA-N 1 2 283.755 2.573 10 10 CFCELO C[C@@H]1C[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000052275731 346518311 /nfs/dbraw/zinc/51/83/11/346518311.db2.gz XEVJSIZXRADBQE-GMSGAONNSA-N 1 2 256.143 2.653 10 10 CFCELO C[NH+](C)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000134163926 377989837 /nfs/dbraw/zinc/98/98/37/377989837.db2.gz JYFVYRHMXAHORY-NSHDSACASA-N 1 2 289.206 2.835 10 10 CFCELO Oc1ccc(F)cc1C[NH2+]CC(F)(F)C(F)F ZINC000191765782 526349208 /nfs/dbraw/zinc/34/92/08/526349208.db2.gz ZNOBQXYTUGLZFC-UHFFFAOYSA-N 1 2 255.186 2.521 10 10 CFCELO Cc1nc(N(Cc2ccc(N)cc2)C(C)C)cc[nH+]1 ZINC000054936942 527343552 /nfs/dbraw/zinc/34/35/52/527343552.db2.gz HIQPKWYTVBTARU-UHFFFAOYSA-N 1 2 256.353 2.782 10 10 CFCELO Oc1c(Br)cccc1[C@H]1CCCC[NH2+]1 ZINC000096884318 185120547 /nfs/dbraw/zinc/12/05/47/185120547.db2.gz OLICCICJCCGFIG-SNVBAGLBSA-N 1 2 256.143 2.969 10 10 CFCELO [NH3+][C@H](CF)c1cc(Br)cc(Cl)c1O ZINC000238683694 348248646 /nfs/dbraw/zinc/24/86/46/348248646.db2.gz QZXONQXXBMOJME-SSDOTTSWSA-N 1 2 268.513 2.777 10 10 CFCELO COC(=O)[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1O)C(C)C ZINC000035346206 172138454 /nfs/dbraw/zinc/13/84/54/172138454.db2.gz BXGUKZMAWGTGKU-FZMZJTMJSA-N 1 2 265.353 2.549 10 10 CFCELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)cc1O ZINC000186096461 302678470 /nfs/dbraw/zinc/67/84/70/302678470.db2.gz SRGPXHHMTRUNDK-NOZJJQNGSA-N 1 2 290.342 2.617 10 10 CFCELO Oc1c(Br)cc(Cl)cc1[C@H]1CC[NH2+]1 ZINC000238710264 348248681 /nfs/dbraw/zinc/24/86/81/348248681.db2.gz DAADPWYCSMQZSD-MRVPVSSYSA-N 1 2 262.534 2.843 10 10 CFCELO [NH3+][C@@H](CF)c1c(O)c(Cl)ccc1Br ZINC000306744606 348391881 /nfs/dbraw/zinc/39/18/81/348391881.db2.gz YGPBODPPVXCEDV-LURJTMIESA-N 1 2 268.513 2.777 10 10 CFCELO Oc1ccc(F)cc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000180040002 380613688 /nfs/dbraw/zinc/61/36/88/380613688.db2.gz CPINRFJMOLEEHH-UHFFFAOYSA-N 1 2 275.327 2.634 10 10 CFCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](O)[C@H]2C)c1O ZINC000296374065 381367951 /nfs/dbraw/zinc/36/79/51/381367951.db2.gz STACGRWTQBGMGH-OTYXRUKQSA-N 1 2 297.782 2.593 10 10 CFCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](O)[C@H]2C)c1O ZINC000296374065 381367955 /nfs/dbraw/zinc/36/79/55/381367955.db2.gz STACGRWTQBGMGH-OTYXRUKQSA-N 1 2 297.782 2.593 10 10 CFCELO CC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000071311989 176118804 /nfs/dbraw/zinc/11/88/04/176118804.db2.gz DYLUZMJZINODAT-LLVKDONJSA-N 1 2 289.206 2.883 10 10 CFCELO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000071311989 176118805 /nfs/dbraw/zinc/11/88/05/176118805.db2.gz DYLUZMJZINODAT-LLVKDONJSA-N 1 2 289.206 2.883 10 10 CFCELO CCN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CC[NH2+]C1 ZINC000071311989 176118807 /nfs/dbraw/zinc/11/88/07/176118807.db2.gz DYLUZMJZINODAT-LLVKDONJSA-N 1 2 289.206 2.883 10 10 CFCELO CC(=O)c1cc(Cl)cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1O ZINC000037322623 260089713 /nfs/dbraw/zinc/08/97/13/260089713.db2.gz BSUXPXQGVZVSDT-NXEZZACHSA-N 1 2 297.782 2.857 10 10 CFCELO Cc1ccc(N2CCN(c3ccc([NH3+])cc3)CC2)cc1 ZINC000016124009 280877127 /nfs/dbraw/zinc/87/71/27/280877127.db2.gz MGGCITJJRCVQFG-UHFFFAOYSA-N 1 2 267.376 2.904 10 10 CFCELO C[C@H]1C[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000052275734 346518286 /nfs/dbraw/zinc/51/82/86/346518286.db2.gz XEVJSIZXRADBQE-OIBJUYFYSA-N 1 2 256.143 2.653 10 10 CFCELO [NH3+][C@@H](CF)c1cc(Br)cc(Cl)c1O ZINC000238572343 348247844 /nfs/dbraw/zinc/24/78/44/348247844.db2.gz QZXONQXXBMOJME-ZETCQYMHSA-N 1 2 268.513 2.777 10 10 CFCELO Oc1c(F)c(Br)ccc1[C@H]1CCC[NH2+]1 ZINC000238721514 348248503 /nfs/dbraw/zinc/24/85/03/348248503.db2.gz SJFBKICXYFIVMC-MRVPVSSYSA-N 1 2 260.106 2.718 10 10 CFCELO Oc1c(Br)c(Cl)ccc1[C@H]1CC[NH2+]1 ZINC000307003255 348394623 /nfs/dbraw/zinc/39/46/23/348394623.db2.gz ITSBJSRPBOHPEW-SSDOTTSWSA-N 1 2 262.534 2.843 10 10 CFCELO C[NH+](C)c1ccc(NNc2ccccc2[N+](=O)[O-])cc1 ZINC000070461096 374183263 /nfs/dbraw/zinc/18/32/63/374183263.db2.gz MUAZFZUQSYNKQA-RNJZADNYSA-N 1 2 272.308 2.976 10 10 CFCELO Cn1cc([C@H]2CC[N@H+](Cc3cccc(Cl)c3O)C2)cn1 ZINC000180331530 380645994 /nfs/dbraw/zinc/64/59/94/380645994.db2.gz QJWVWBZJMYNLCZ-NSHDSACASA-N 1 2 291.782 2.769 10 10 CFCELO Cn1cc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)cn1 ZINC000180331530 380645997 /nfs/dbraw/zinc/64/59/97/380645997.db2.gz QJWVWBZJMYNLCZ-NSHDSACASA-N 1 2 291.782 2.769 10 10 CFCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](O)[C@@H]2C)c1O ZINC000296374070 381367854 /nfs/dbraw/zinc/36/78/54/381367854.db2.gz STACGRWTQBGMGH-XPTSAGLGSA-N 1 2 297.782 2.593 10 10 CFCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)c1O ZINC000296374070 381367855 /nfs/dbraw/zinc/36/78/55/381367855.db2.gz STACGRWTQBGMGH-XPTSAGLGSA-N 1 2 297.782 2.593 10 10 CFCELO CN1CCc2cc([N@H+](C)CCc3ccncc3)ccc21 ZINC000071711404 176248588 /nfs/dbraw/zinc/24/85/88/176248588.db2.gz QUMOJBHRVAOQCI-UHFFFAOYSA-N 1 2 267.376 2.753 10 10 CFCELO CN1CCc2cc([N@@H+](C)CCc3ccncc3)ccc21 ZINC000071711404 176248590 /nfs/dbraw/zinc/24/85/90/176248590.db2.gz QUMOJBHRVAOQCI-UHFFFAOYSA-N 1 2 267.376 2.753 10 10 CFCELO CCOc1cc(C=O)cc(C[NH+]2CCCCC2)c1O ZINC000616575504 352372747 /nfs/dbraw/zinc/37/27/47/352372747.db2.gz CYUUTQUWZLVXMW-UHFFFAOYSA-N 1 2 263.337 2.589 10 10 CFCELO C[NH+](C)c1ccc(NNc2ccccc2[N+](=O)[O-])cc1 ZINC000070461097 374183119 /nfs/dbraw/zinc/18/31/19/374183119.db2.gz MUAZFZUQSYNKQA-LPPHJRPXSA-N 1 2 272.308 2.976 10 10 CFCELO Oc1c(Cn2cc[nH+]c2)cc(Cl)cc1Cn1cc[nH+]c1 ZINC000038602176 174149515 /nfs/dbraw/zinc/14/95/15/174149515.db2.gz PKQMIWUBLBJKRV-UHFFFAOYSA-N 1 2 288.738 2.535 10 10 CFCELO Oc1c(Cn2ccnc2)cc(Cl)cc1Cn1cc[nH+]c1 ZINC000038602176 174149516 /nfs/dbraw/zinc/14/95/16/174149516.db2.gz PKQMIWUBLBJKRV-UHFFFAOYSA-N 1 2 288.738 2.535 10 10 CFCELO Oc1c(F)cc(Br)cc1[C@@H]1CCC[NH2+]1 ZINC000238722556 348248658 /nfs/dbraw/zinc/24/86/58/348248658.db2.gz FDBWGQRAUPSKHP-VIFPVBQESA-N 1 2 260.106 2.718 10 10 CFCELO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CCS1 ZINC000180041568 380613073 /nfs/dbraw/zinc/61/30/73/380613073.db2.gz KNQLQIUJSSAXSO-VIFPVBQESA-N 1 2 257.786 2.983 10 10 CFCELO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCS1 ZINC000180041568 380613075 /nfs/dbraw/zinc/61/30/75/380613075.db2.gz KNQLQIUJSSAXSO-VIFPVBQESA-N 1 2 257.786 2.983 10 10 CFCELO Nc1[nH+]cccc1OCc1ccc2ncccc2c1 ZINC000020483641 171223652 /nfs/dbraw/zinc/22/36/52/171223652.db2.gz LFSXVPXGHUZICS-UHFFFAOYSA-N 1 2 251.289 2.791 10 10 CFCELO