smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(C)cc1C ZINC000090223197 282106652 /nfs/dbraw/zinc/10/66/52/282106652.db2.gz FJJOCZUARVGHTA-CZUORRHYSA-N 1 1 284.407 3.389 10 0 CGAEMO [NH3+][C@@H](c1nc2c(s1)CCC2)c1cc(F)cc(Cl)c1 ZINC000096795237 185114249 /nfs/dbraw/zinc/11/42/49/185114249.db2.gz IFIACHXPVMKXKE-GFCCVEGCSA-N 1 1 282.771 3.472 10 0 CGAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ncnc2cccc(C)c21 ZINC000174924333 529408381 /nfs/dbraw/zinc/40/83/81/529408381.db2.gz LZNZVRWTVKPLBY-HUUCEWRRSA-N 1 1 296.418 3.001 10 0 CGAEMO COc1cccc2c(NC[C@H]3CCC[C@H]3O)cc(C)[nH+]c12 ZINC000127872322 187338372 /nfs/dbraw/zinc/33/83/72/187338372.db2.gz ILTRWCYKEOIZOB-IUODEOHRSA-N 1 1 286.375 3.125 10 0 CGAEMO Cc1cccc(Cl)c1NC(=O)O[C@@H]1CCC[N@H+](C)C1 ZINC000002010846 344857453 /nfs/dbraw/zinc/85/74/53/344857453.db2.gz JWVJIHOQHASVCJ-LLVKDONJSA-N 1 1 282.771 3.291 10 0 CGAEMO C[N@H+]1CCC[C@H](O)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000005599847 344862380 /nfs/dbraw/zinc/86/23/80/344862380.db2.gz DQNBDZSLMWHFTB-PKOBYXMFSA-N 1 1 281.399 3.274 10 0 CGAEMO C[C@]12CCC(=O)C=C1CC[N@@H+](Cc1ccccc1)C2 ZINC000039171908 344958054 /nfs/dbraw/zinc/95/80/54/344958054.db2.gz LNBWHZNWSJJWFX-QGZVFWFLSA-N 1 1 255.361 3.188 10 0 CGAEMO Cc1ccc([C@H]([NH3+])c2ccc(Br)s2)o1 ZINC000042268085 344981154 /nfs/dbraw/zinc/98/11/54/344981154.db2.gz VMMGIPUUGMZCNU-JTQLQIEISA-N 1 1 272.167 3.460 10 0 CGAEMO C[C@@H]1CCCCN1C(=O)c1c[nH+]c2ccccc2c1N(C)C ZINC000072308011 345409012 /nfs/dbraw/zinc/40/90/12/345409012.db2.gz QIBRBPFDTFTBLC-CYBMUJFWSA-N 1 1 297.402 3.315 10 0 CGAEMO CC(C)(C)c1[nH+]c2cc(N)ccc2n1CC1CCOCC1 ZINC000111172273 345947820 /nfs/dbraw/zinc/94/78/20/345947820.db2.gz CQAWQKYNHLSQSD-UHFFFAOYSA-N 1 1 287.407 3.343 10 0 CGAEMO N[C@H](c1ccccc1)[C@H]([NH3+])c1c(Cl)cc(O)cc1Cl ZINC000137376947 346093974 /nfs/dbraw/zinc/09/39/74/346093974.db2.gz VKFFVLQURYEYPA-ZIAGYGMSSA-N 1 1 297.185 3.399 10 0 CGAEMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000154574756 346149674 /nfs/dbraw/zinc/14/96/74/346149674.db2.gz BIVWPUJDBCLAIS-MRXNPFEDSA-N 1 1 288.435 3.184 10 0 CGAEMO Cc1ccc([C@H]2[NH2+]CCCS2)cc1Br ZINC000164813894 346182902 /nfs/dbraw/zinc/18/29/02/346182902.db2.gz XQEOPAIAPVGCQC-NSHDSACASA-N 1 1 272.211 3.483 10 0 CGAEMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](C(C)(C)C)C1 ZINC000225290407 346303463 /nfs/dbraw/zinc/30/34/63/346303463.db2.gz IQJCDAIRIPYTEA-LBPRGKRZSA-N 1 1 270.417 3.022 10 0 CGAEMO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cccc(Cl)c2)C1 ZINC000245401601 346353621 /nfs/dbraw/zinc/35/36/21/346353621.db2.gz FCJFWNTXRUUZMS-DGCLKSJQSA-N 1 1 281.783 3.286 10 0 CGAEMO Clc1ccc(Br)cc1[C@H]1[NH2+]CCS1 ZINC000236037592 346338836 /nfs/dbraw/zinc/33/88/36/346338836.db2.gz JKFVWRDHZZJEAO-VIFPVBQESA-N 1 1 278.602 3.438 10 0 CGAEMO C[C@H](c1ccc[nH]1)[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000257353555 346400269 /nfs/dbraw/zinc/40/02/69/346400269.db2.gz RUVUFZUUAPQHPS-OLZOCXBDSA-N 1 1 293.411 3.065 10 0 CGAEMO CC(C)(C)OC(=O)N[C@H](C[NH+]1CCC1)c1cccc(F)c1 ZINC000584643332 346703451 /nfs/dbraw/zinc/70/34/51/346703451.db2.gz ALWLLNWEWZOLKU-CQSZACIVSA-N 1 1 294.370 3.097 10 0 CGAEMO C/C(=C/c1ccccc1)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128570819 187378169 /nfs/dbraw/zinc/37/81/69/187378169.db2.gz BHSJJSCUAHEJMI-FJJYYWMZSA-N 1 1 296.418 3.094 10 0 CGAEMO CC(=O)Nc1ccccc1[C@@H]1c2ccccc2CC[N@@H+]1C ZINC000616584516 348835892 /nfs/dbraw/zinc/83/58/92/348835892.db2.gz KIBWNFBLKRCIID-SFHVURJKSA-N 1 1 280.371 3.222 10 0 CGAEMO CC[N@H+]1CCc2ccccc2[C@@H]1c1cccc(CO)c1 ZINC000616588897 348838035 /nfs/dbraw/zinc/83/80/35/348838035.db2.gz UIPHQFQRSBXEOV-SFHVURJKSA-N 1 1 267.372 3.146 10 0 CGAEMO CCOC(=O)c1ccc([C@H]2CC[N@H+](C(C)C)CCO2)cc1 ZINC000616595469 348839483 /nfs/dbraw/zinc/83/94/83/348839483.db2.gz VWCBMUXBRHLGKT-MRXNPFEDSA-N 1 1 291.391 3.035 10 0 CGAEMO CCOC(=O)c1ccccc1[C@@H]1CCOCC[N@H+]1C(C)C ZINC000616598828 348841334 /nfs/dbraw/zinc/84/13/34/348841334.db2.gz SLBLMIRDZQUDMG-INIZCTEOSA-N 1 1 291.391 3.035 10 0 CGAEMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+](C(C)(C)C)C1 ZINC000616604291 348843264 /nfs/dbraw/zinc/84/32/64/348843264.db2.gz LBHIYPJAKWWFFE-CYBMUJFWSA-N 1 1 284.444 3.412 10 0 CGAEMO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CC[N@@H+](C)C1 ZINC000616610657 348844849 /nfs/dbraw/zinc/84/48/49/348844849.db2.gz RRJGKEAJOVOIEJ-ZDUSSCGKSA-N 1 1 290.407 3.477 10 0 CGAEMO CCOC(=O)c1cccc([C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000616612983 348845944 /nfs/dbraw/zinc/84/59/44/348845944.db2.gz FVSMLANAXKMVAC-HNNXBMFYSA-N 1 1 275.392 3.451 10 0 CGAEMO OCC[N@H+]1CCCCC[C@@H]1c1ccc2ncccc2c1 ZINC000616623837 348849687 /nfs/dbraw/zinc/84/96/87/348849687.db2.gz JNIULDHAOFQVNX-QGZVFWFLSA-N 1 1 270.376 3.144 10 0 CGAEMO c1cc([C@H]2CCCC[N@H+](Cc3ccccc3)C2)no1 ZINC000616629201 348851845 /nfs/dbraw/zinc/85/18/45/348851845.db2.gz QHHXPNVKZRWSTF-HNNXBMFYSA-N 1 1 256.349 3.444 10 0 CGAEMO OCc1cccc([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000616633618 348853718 /nfs/dbraw/zinc/85/37/18/348853718.db2.gz ONFMFYVQTTVACJ-SFHVURJKSA-N 1 1 267.372 3.168 10 0 CGAEMO CNc1ccccc1[C@H]1COCC[N@@H+]1Cc1ccccc1 ZINC000616640512 348853894 /nfs/dbraw/zinc/85/38/94/348853894.db2.gz WGJYYVTYMXRZOV-GOSISDBHSA-N 1 1 282.387 3.302 10 0 CGAEMO CNc1ccccc1[C@H]1COCC[N@H+]1Cc1ccccc1 ZINC000616640512 348853897 /nfs/dbraw/zinc/85/38/97/348853897.db2.gz WGJYYVTYMXRZOV-GOSISDBHSA-N 1 1 282.387 3.302 10 0 CGAEMO CNc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000616642817 348854343 /nfs/dbraw/zinc/85/43/43/348854343.db2.gz IZURRFVTNCYMNN-SFHVURJKSA-N 1 1 282.387 3.302 10 0 CGAEMO CNc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000616643143 348854557 /nfs/dbraw/zinc/85/45/57/348854557.db2.gz WQQBHAJYDLHGQY-SFHVURJKSA-N 1 1 282.387 3.302 10 0 CGAEMO CC(C)[N@@H+]1CCO[C@@H](c2ccc3ccccc3n2)C1 ZINC000616645469 348854635 /nfs/dbraw/zinc/85/46/35/348854635.db2.gz QLRWGJLJLDFZET-MRXNPFEDSA-N 1 1 256.349 3.017 10 0 CGAEMO CC(C)[N@H+]1CCO[C@@H](c2ccc3ccccc3n2)C1 ZINC000616645469 348854639 /nfs/dbraw/zinc/85/46/39/348854639.db2.gz QLRWGJLJLDFZET-MRXNPFEDSA-N 1 1 256.349 3.017 10 0 CGAEMO CC(C)(C)[N@H+]1CCO[C@H](c2cnc3ccccc3c2)C1 ZINC000616649539 348855561 /nfs/dbraw/zinc/85/55/61/348855561.db2.gz XXDZNWKIKILUFI-INIZCTEOSA-N 1 1 270.376 3.407 10 0 CGAEMO CC(C)[N@H+]1CCCOC[C@H]1c1cncc2ccccc21 ZINC000616646089 348855948 /nfs/dbraw/zinc/85/59/48/348855948.db2.gz SOYGWPODOTVIQP-KRWDZBQOSA-N 1 1 270.376 3.407 10 0 CGAEMO c1ccc(C[N@H+]2CCCO[C@@H](c3ccncc3)C2)cc1 ZINC000616650975 348856629 /nfs/dbraw/zinc/85/66/29/348856629.db2.gz HUHDIUUJWPLESN-QGZVFWFLSA-N 1 1 268.360 3.045 10 0 CGAEMO COc1ccc([C@H]2C[N@H+](C(C)(C)C)CCCO2)cc1 ZINC000616653657 348858073 /nfs/dbraw/zinc/85/80/73/348858073.db2.gz SGVPPVZLPWCUQL-OAHLLOKOSA-N 1 1 263.381 3.257 10 0 CGAEMO CC(C)[N@H+]1CCc2ccccc2[C@@H]1c1cccnc1N ZINC000616678165 348864901 /nfs/dbraw/zinc/86/49/01/348864901.db2.gz ATOAEEARGHGSRH-MRXNPFEDSA-N 1 1 267.376 3.020 10 0 CGAEMO Oc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cscn1 ZINC000104435105 186000959 /nfs/dbraw/zinc/00/09/59/186000959.db2.gz IFPYRKSYVYTYBW-AWEZNQCLSA-N 1 1 260.362 3.016 10 0 CGAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccsc1 ZINC000122816742 187053631 /nfs/dbraw/zinc/05/36/31/187053631.db2.gz OLHXJXBMXASTLM-AWEZNQCLSA-N 1 1 275.421 3.436 10 0 CGAEMO Cc1nc([C@@H]2CCC[N@H+](C3CCC3)C2)sc1C ZINC000336428872 213290677 /nfs/dbraw/zinc/29/06/77/213290677.db2.gz MLKBCVBSUMCQLC-GFCCVEGCSA-N 1 1 250.411 3.492 10 0 CGAEMO CO[C@H](c1noc([C@H]2CCC[N@H+]2C2CCCC2)n1)C1CC1 ZINC000328887365 202098752 /nfs/dbraw/zinc/09/87/52/202098752.db2.gz PJXQOITZFNMBEW-KGLIPLIRSA-N 1 1 291.395 3.247 10 0 CGAEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccccc3C)C2)n1 ZINC000105884612 138353393 /nfs/dbraw/zinc/35/33/93/138353393.db2.gz XUGMNPXZWYVYLE-QGZVFWFLSA-N 1 1 298.434 3.116 10 0 CGAEMO CCc1csc([C@@H]2CCC[N@@H+](C[C@@H]3CCCCO3)C2)n1 ZINC000195382303 138490195 /nfs/dbraw/zinc/49/01/95/138490195.db2.gz NORHZVFDJQGYKO-HIFRSBDPSA-N 1 1 294.464 3.454 10 0 CGAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC000178316466 189106408 /nfs/dbraw/zinc/10/64/08/189106408.db2.gz PSAZUUPCXQOCHL-OAHLLOKOSA-N 1 1 291.345 3.134 10 0 CGAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCc1ccc(C)cc1 ZINC000178748535 189142730 /nfs/dbraw/zinc/14/27/30/189142730.db2.gz DFGNCGOCTOVKSH-SFHVURJKSA-N 1 1 283.419 3.207 10 0 CGAEMO COc1ccc([C@H](C)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000180331087 189250708 /nfs/dbraw/zinc/25/07/08/189250708.db2.gz DEIATNAGHFTOIJ-ZBFHGGJFSA-N 1 1 299.418 3.022 10 0 CGAEMO CCn1c(C)nnc1C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000181790957 189306726 /nfs/dbraw/zinc/30/67/26/189306726.db2.gz JOFUBNGSNGMAHO-INIZCTEOSA-N 1 1 286.423 3.483 10 0 CGAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccccn1 ZINC000301612088 201095784 /nfs/dbraw/zinc/09/57/84/201095784.db2.gz FNGSXEHOYJGPEE-GDBMZVCRSA-N 1 1 267.376 3.014 10 0 CGAEMO CC/C=C/CC[NH2+]C1(c2noc(CC)n2)CCCC1 ZINC000184586529 189390561 /nfs/dbraw/zinc/39/05/61/189390561.db2.gz GVNLLWQNWZWPHE-AATRIKPKSA-N 1 1 263.385 3.347 10 0 CGAEMO CCSC1(CNc2[nH]c3ccccc3[nH+]2)CCOCC1 ZINC000301870236 201242456 /nfs/dbraw/zinc/24/24/56/201242456.db2.gz IMRDXMYJLDGWCJ-UHFFFAOYSA-N 1 1 291.420 3.277 10 0 CGAEMO CC[C@H](C)C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000120545139 370778538 /nfs/dbraw/zinc/77/85/38/370778538.db2.gz DTGRFYQOVDIESG-GJZGRUSLSA-N 1 1 296.480 3.099 10 0 CGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(Cc2csc(C)n2)C1 ZINC000120734961 370794806 /nfs/dbraw/zinc/79/48/06/370794806.db2.gz VKSICDWGDYQYLB-CQSZACIVSA-N 1 1 290.436 3.048 10 0 CGAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCCCOC)C12CCCC2 ZINC000121118469 370830749 /nfs/dbraw/zinc/83/07/49/370830749.db2.gz MSXOFJLMRHVARO-HZPDHXFCSA-N 1 1 283.456 3.473 10 0 CGAEMO Cc1[nH+]ccn1-c1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC000013651253 368659783 /nfs/dbraw/zinc/65/97/83/368659783.db2.gz NYRSCZAIHRFDOT-UHFFFAOYSA-N 1 1 275.315 3.119 10 0 CGAEMO C[N@@H+]1Cc2c(N)cccc2[C@H](c2ccc(Cl)cc2)C1 ZINC000028220367 368881962 /nfs/dbraw/zinc/88/19/62/368881962.db2.gz VOZWXKYLVQXXCK-AWEZNQCLSA-N 1 1 272.779 3.500 10 0 CGAEMO CCC[N@H+]1CCCC[C@H]1CCOC(=O)c1ccccc1 ZINC000033875310 368969172 /nfs/dbraw/zinc/96/91/72/368969172.db2.gz DKYJAIJWHDFFIX-INIZCTEOSA-N 1 1 275.392 3.498 10 0 CGAEMO CC[N@@H+]1CCC[C@H](Nc2ccnc3ccccc32)C1 ZINC000041721082 369196575 /nfs/dbraw/zinc/19/65/75/369196575.db2.gz GHTSGRNVCXXQJL-ZDUSSCGKSA-N 1 1 255.365 3.131 10 0 CGAEMO CC[N@H+]1CCC[C@H](Nc2ccnc3ccccc32)C1 ZINC000041721082 369196578 /nfs/dbraw/zinc/19/65/78/369196578.db2.gz GHTSGRNVCXXQJL-ZDUSSCGKSA-N 1 1 255.365 3.131 10 0 CGAEMO CCOc1cccc(C[NH2+]Cc2nc3ccccc3[nH]2)c1 ZINC000054375731 369501962 /nfs/dbraw/zinc/50/19/62/369501962.db2.gz WTCWGFBLQFLLQL-UHFFFAOYSA-N 1 1 281.359 3.251 10 0 CGAEMO COc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1F ZINC000070070183 369777904 /nfs/dbraw/zinc/77/79/04/369777904.db2.gz GLWXIUFGIGLWAC-CQSZACIVSA-N 1 1 273.307 3.058 10 0 CGAEMO C[C@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)CCN1 ZINC000083493325 370007043 /nfs/dbraw/zinc/00/70/43/370007043.db2.gz HRLOVHUUKIJALJ-HNNXBMFYSA-N 1 1 266.388 3.070 10 0 CGAEMO C[C@H]1C[N@H+](C(c2ccccc2)c2ccccc2)CCN1 ZINC000083493325 370007048 /nfs/dbraw/zinc/00/70/48/370007048.db2.gz HRLOVHUUKIJALJ-HNNXBMFYSA-N 1 1 266.388 3.070 10 0 CGAEMO Cc1cc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)ccc1F ZINC000092812637 370102765 /nfs/dbraw/zinc/10/27/65/370102765.db2.gz SHSOATYXIBOSFE-INIZCTEOSA-N 1 1 299.393 3.463 10 0 CGAEMO Cc1ccc(C[N@@H+]2C[C@H]3CCCCN3C[C@@H]2C)s1 ZINC000094434350 370168058 /nfs/dbraw/zinc/16/80/58/370168058.db2.gz HFTJZXCPLACTOY-GXTWGEPZSA-N 1 1 264.438 3.115 10 0 CGAEMO Cc1ccc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)s1 ZINC000094434350 370168061 /nfs/dbraw/zinc/16/80/61/370168061.db2.gz HFTJZXCPLACTOY-GXTWGEPZSA-N 1 1 264.438 3.115 10 0 CGAEMO Cc1ccc(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)s1 ZINC000094434350 370168066 /nfs/dbraw/zinc/16/80/66/370168066.db2.gz HFTJZXCPLACTOY-GXTWGEPZSA-N 1 1 264.438 3.115 10 0 CGAEMO CC(C)Cc1ncc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)s1 ZINC000093437742 370127708 /nfs/dbraw/zinc/12/77/08/370127708.db2.gz 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/nfs/dbraw/zinc/17/69/40/287176940.db2.gz FSEWICSHHQCAIJ-GXTWGEPZSA-N 1 1 276.428 3.093 10 0 CGAEMO CC[N@@H+](C[C@H](O)COC(C)(C)C)[C@@H]1CCCC[C@@H]1C ZINC000120043294 287177326 /nfs/dbraw/zinc/17/73/26/287177326.db2.gz XMYLGCYSQSTLHA-SOUVJXGZSA-N 1 1 271.445 3.063 10 0 CGAEMO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ncc(C)s2)c1C ZINC000122998556 287214743 /nfs/dbraw/zinc/21/47/43/287214743.db2.gz MZCJPTHXHRBUIC-SNVBAGLBSA-N 1 1 278.425 3.136 10 0 CGAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(Cl)c1 ZINC000246846140 287229394 /nfs/dbraw/zinc/22/93/94/287229394.db2.gz BXFKEEANFRNCAM-CABCVRRESA-N 1 1 292.810 3.039 10 0 CGAEMO C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cccnc1 ZINC000020129345 171017094 /nfs/dbraw/zinc/01/70/94/171017094.db2.gz ZGJZJMITLODXAH-YOEHRIQHSA-N 1 1 269.392 3.035 10 0 CGAEMO CC(C)[C@@H](C[NH2+]Cc1ccccc1Cl)N(C)C ZINC000020145395 171030347 /nfs/dbraw/zinc/03/03/47/171030347.db2.gz QNSXSCUIVSYAGW-CQSZACIVSA-N 1 1 254.805 3.016 10 0 CGAEMO CC1CC[NH+](CC[C@H](N)c2ccc(Cl)cc2)CC1 ZINC000020273992 171130648 /nfs/dbraw/zinc/13/06/48/171130648.db2.gz YYKKVGALUTUKHW-HNNXBMFYSA-N 1 1 266.816 3.462 10 0 CGAEMO COc1ccc(Br)cc1[C@@H]([NH3+])c1ccc(C)o1 ZINC000035381687 172164223 /nfs/dbraw/zinc/16/42/23/172164223.db2.gz DGRRJHQPUZNURA-CYBMUJFWSA-N 1 1 296.164 3.407 10 0 CGAEMO C[NH2+][C@@H](c1ccccc1OC)c1cc(F)ccc1F ZINC000035468758 172218535 /nfs/dbraw/zinc/21/85/35/172218535.db2.gz BRNLBAGBHPWLHA-HNNXBMFYSA-N 1 1 263.287 3.282 10 0 CGAEMO C[N@H+](Cc1cccs1)C1(CN)CCCCCC1 ZINC000035717200 172371004 /nfs/dbraw/zinc/37/10/04/172371004.db2.gz WOPVJPFSGNMMDB-UHFFFAOYSA-N 1 1 252.427 3.232 10 0 CGAEMO C[N@@H+](Cc1cccs1)C1(CN)CCCCCC1 ZINC000035717200 172371008 /nfs/dbraw/zinc/37/10/08/172371008.db2.gz WOPVJPFSGNMMDB-UHFFFAOYSA-N 1 1 252.427 3.232 10 0 CGAEMO CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)c1cccc(O)c1 ZINC000037167186 173001257 /nfs/dbraw/zinc/00/12/57/173001257.db2.gz PGWPPSUWBYXZNY-DZGCQCFKSA-N 1 1 264.413 3.019 10 0 CGAEMO C[N@H+]1CCCC[C@H]1CCSc1ccc(N)cc1F ZINC000037194018 173022762 /nfs/dbraw/zinc/02/27/62/173022762.db2.gz PZAWQQRGWFWDJB-LBPRGKRZSA-N 1 1 268.401 3.374 10 0 CGAEMO CC[C@H](C)[N@@H+](CC)CC(=O)c1ccc(C)cc1OC ZINC000037336548 173137869 /nfs/dbraw/zinc/13/78/69/173137869.db2.gz RSTCGVGJXVFKPM-ZDUSSCGKSA-N 1 1 263.381 3.307 10 0 CGAEMO CC(C)(C)c1nc2cc(NC3CC[NH2+]CC3)ccc2[nH]1 ZINC000038040756 174041268 /nfs/dbraw/zinc/04/12/68/174041268.db2.gz UDSMNLNDCMTSOZ-UHFFFAOYSA-N 1 1 272.396 3.024 10 0 CGAEMO CC(C)(C)c1nc2ccc(NC3CC[NH2+]CC3)cc2[nH]1 ZINC000038040756 174041269 /nfs/dbraw/zinc/04/12/69/174041269.db2.gz UDSMNLNDCMTSOZ-UHFFFAOYSA-N 1 1 272.396 3.024 10 0 CGAEMO CCc1ccc([C@@H](NC)[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000043814111 175111811 /nfs/dbraw/zinc/11/18/11/175111811.db2.gz JEVZZYJBICXFEV-PBHICJAKSA-N 1 1 260.425 3.384 10 0 CGAEMO CCOc1ccccc1[C@@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000044121963 175143438 /nfs/dbraw/zinc/14/34/38/175143438.db2.gz PRYGTHZYKAAVOD-LZWOXQAQSA-N 1 1 277.408 3.382 10 0 CGAEMO CCOc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128421814 287310443 /nfs/dbraw/zinc/31/04/43/287310443.db2.gz PSIGPWZBBAEYQI-SJLPKXTDSA-N 1 1 289.419 3.212 10 0 CGAEMO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1)CC2 ZINC000128359414 287309272 /nfs/dbraw/zinc/30/92/72/287309272.db2.gz PMNMOGYHKDUDNI-GDBMZVCRSA-N 1 1 279.811 3.467 10 0 CGAEMO C[C@H](Cc1cccs1)[N@H+]1Cc2cccc(N)c2C1 ZINC000071271663 176104427 /nfs/dbraw/zinc/10/44/27/176104427.db2.gz GWXAKBWJRHIRAB-LLVKDONJSA-N 1 1 258.390 3.277 10 0 CGAEMO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000076717076 177069126 /nfs/dbraw/zinc/06/91/26/177069126.db2.gz RVARJPVJDUKGBB-MCIONIFRSA-N 1 1 293.411 3.322 10 0 CGAEMO NC(=O)[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000078426441 177340851 /nfs/dbraw/zinc/34/08/51/177340851.db2.gz VTMIKLCHFHCAAN-IRXDYDNUSA-N 1 1 298.361 3.019 10 0 CGAEMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ccnc3ccccc32)C1 ZINC000129721372 287338092 /nfs/dbraw/zinc/33/80/92/287338092.db2.gz 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1 1 264.413 3.124 10 0 CGAEMO CC(C)[C@H]1CCC(=O)[C@H](C[N@@H+](C)Cc2ccco2)C1 ZINC000054559000 519824471 /nfs/dbraw/zinc/82/44/71/519824471.db2.gz XJEITSNHDSCECV-KBPBESRZSA-N 1 1 263.381 3.353 10 0 CGAEMO CCOC[C@@H](C)n1c2ccc(N)cc2[nH+]c1C1CC1 ZINC000052854251 520078152 /nfs/dbraw/zinc/07/81/52/520078152.db2.gz LPGSRGUADVMSMJ-SNVBAGLBSA-N 1 1 259.353 3.093 10 0 CGAEMO CCC[C@H](C)[N@H+](C)Cc1cc(CNC(C)(C)C)no1 ZINC000052480625 521035005 /nfs/dbraw/zinc/03/50/05/521035005.db2.gz KOHOYZBZLCHVJI-LBPRGKRZSA-N 1 1 267.417 3.183 10 0 CGAEMO CCC[C@H](C)[N@@H+](C)Cc1cc(CNC(C)(C)C)no1 ZINC000052480625 521035018 /nfs/dbraw/zinc/03/50/18/521035018.db2.gz KOHOYZBZLCHVJI-LBPRGKRZSA-N 1 1 267.417 3.183 10 0 CGAEMO C[N@H+](Cc1ccoc1)Cc1ccc(Cl)cc1N ZINC000050443055 523475149 /nfs/dbraw/zinc/47/51/49/523475149.db2.gz YZGNMPADNHNLDG-UHFFFAOYSA-N 1 1 250.729 3.147 10 0 CGAEMO C[N@@H+](Cc1ccoc1)Cc1ccc(Cl)cc1N ZINC000050443055 523475161 /nfs/dbraw/zinc/47/51/61/523475161.db2.gz YZGNMPADNHNLDG-UHFFFAOYSA-N 1 1 250.729 3.147 10 0 CGAEMO CCc1ccc(CN(C)c2[nH+]cc(N)cc2C)cc1 ZINC000052812835 523922943 /nfs/dbraw/zinc/92/29/43/523922943.db2.gz DLTIPEZBILDZCA-UHFFFAOYSA-N 1 1 255.365 3.171 10 0 CGAEMO Cc1cccc(CN2CCC[NH2+][C@@H](CC(C)C)C2)c1 ZINC000062657645 524391964 /nfs/dbraw/zinc/39/19/64/524391964.db2.gz VYYTXAAQRGIPEZ-KRWDZBQOSA-N 1 1 260.425 3.205 10 0 CGAEMO c1ccc(CC[N@H+]2CCCN[C@@H](c3ccccc3)C2)cc1 ZINC000062671256 526464886 /nfs/dbraw/zinc/46/48/86/526464886.db2.gz WJEHTEQNVCNOQV-LJQANCHMSA-N 1 1 280.415 3.266 10 0 CGAEMO [NH3+][C@H](c1nc2c(s1)CCC2)c1cc(F)c(F)c(F)c1 ZINC000062719449 527392764 /nfs/dbraw/zinc/39/27/64/527392764.db2.gz CFSBGMQJWKFBDO-LBPRGKRZSA-N 1 1 284.306 3.097 10 0 CGAEMO CCC[NH2+]CC(F)(F)CN(CC)Cc1ccccc1 ZINC000685955534 567209023 /nfs/dbraw/zinc/20/90/23/567209023.db2.gz HMESKPPEUBQEPS-UHFFFAOYSA-N 1 1 270.367 3.143 10 0 CGAEMO CC/C=C/C=C/C=C/C=C/[C@@H]1CC[C@H](O)[C@H](C)[N@H+]1C ZINC000004098576 560195883 /nfs/dbraw/zinc/19/58/83/560195883.db2.gz 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254.462 3.379 10 0 CGAEMO CCC[N@@H+](CC1CC1)[C@@H](CNCC(C)C)C(C)C ZINC000052514325 521627616 /nfs/dbraw/zinc/62/76/16/521627616.db2.gz AVWYCVFXWPTTLL-INIZCTEOSA-N 1 1 254.462 3.379 10 0 CGAEMO Clc1cc(C[N@@H+]2CCC[C@@]3(CCCCO3)C2)ccn1 ZINC000365700130 534629215 /nfs/dbraw/zinc/62/92/15/534629215.db2.gz GVHOEOBAVRZEOU-HNNXBMFYSA-N 1 1 280.799 3.270 10 0 CGAEMO Clc1cc(C[N@H+]2CCC[C@@]3(CCCCO3)C2)ccn1 ZINC000365700130 534629224 /nfs/dbraw/zinc/62/92/24/534629224.db2.gz GVHOEOBAVRZEOU-HNNXBMFYSA-N 1 1 280.799 3.270 10 0 CGAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](CC)c1ccccc1 ZINC000088559980 522515005 /nfs/dbraw/zinc/51/50/05/522515005.db2.gz JIFUZSZGAJGQGR-CABCVRRESA-N 1 1 284.407 3.416 10 0 CGAEMO CCc1c(C)[nH+]c2c(OC)cc(OC)c(Cl)c2c1N ZINC000050869344 523712627 /nfs/dbraw/zinc/71/26/27/523712627.db2.gz JKWSUHVKMFWEQZ-UHFFFAOYSA-N 1 1 280.755 3.358 10 0 CGAEMO Cc1cc([C@H](C)N[C@@H](C[NH+](C)C)C(C)C)c(C)o1 ZINC000049197371 525525268 /nfs/dbraw/zinc/52/52/68/525525268.db2.gz 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/nfs/dbraw/zinc/98/64/26/541986426.db2.gz FTWHGMIYPPZPEF-IAGOWNOFSA-N 1 1 276.399 3.274 10 0 CGAEMO Fc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cn1 ZINC000189314924 375364643 /nfs/dbraw/zinc/36/46/43/375364643.db2.gz VVHFQSOKYQHFFK-LBPRGKRZSA-N 1 1 277.368 3.057 10 0 CGAEMO COc1ccc(Cl)c(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000192025959 375690684 /nfs/dbraw/zinc/69/06/84/375690684.db2.gz JRNYXGGUAXXUIK-TZMCWYRMSA-N 1 1 294.826 3.017 10 0 CGAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)cs1 ZINC000193145790 375834170 /nfs/dbraw/zinc/83/41/70/375834170.db2.gz NWLRQWXXMJXLKK-LLVKDONJSA-N 1 1 296.827 3.180 10 0 CGAEMO CC(C)=CCC[C@H](C)CC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000193247545 375847635 /nfs/dbraw/zinc/84/76/35/375847635.db2.gz RAQXFZVDBQQDTE-OKZBNKHCSA-N 1 1 296.499 3.146 10 0 CGAEMO CC(C)=CCC[C@H](C)CCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000193247545 375847647 /nfs/dbraw/zinc/84/76/47/375847647.db2.gz RAQXFZVDBQQDTE-OKZBNKHCSA-N 1 1 296.499 3.146 10 0 CGAEMO CCN(CC)CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000193469541 375883626 /nfs/dbraw/zinc/88/36/26/375883626.db2.gz BXTQPSMSVOFWLL-UHFFFAOYSA-N 1 1 290.451 3.009 10 0 CGAEMO C[C@H](c1ccc(F)c(Cl)c1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193608112 375898106 /nfs/dbraw/zinc/89/81/06/375898106.db2.gz QDAJOGSFZLAZON-RTXFEEFZSA-N 1 1 282.790 3.034 10 0 CGAEMO O[C@]12CCCC[C@@H]1C[N@@H+](C[C@@H]1CCC(F)(F)C1)CC2 ZINC000336797358 375945423 /nfs/dbraw/zinc/94/54/23/375945423.db2.gz WVRCIOPMSGVJBI-MCIONIFRSA-N 1 1 273.367 3.049 10 0 CGAEMO Fc1ccc(F)c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000195507484 376107396 /nfs/dbraw/zinc/10/73/96/376107396.db2.gz LSPWESKEBVASCN-UHFFFAOYSA-N 1 1 277.318 3.068 10 0 CGAEMO O=C(c1ccc2ccccc2c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195093497 376076883 /nfs/dbraw/zinc/07/68/83/376076883.db2.gz WWOVQIOTTFTZAQ-SFHVURJKSA-N 1 1 294.398 3.150 10 0 CGAEMO O=C(c1ccc2ccccc2c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195093497 376076889 /nfs/dbraw/zinc/07/68/89/376076889.db2.gz WWOVQIOTTFTZAQ-SFHVURJKSA-N 1 1 294.398 3.150 10 0 CGAEMO CCc1nnc(C[N@@H+](Cc2ccccc2)CC2CCC2)n1C ZINC000195109596 376080704 /nfs/dbraw/zinc/08/07/04/376080704.db2.gz AJPIGGAGPDFRIX-UHFFFAOYSA-N 1 1 298.434 3.180 10 0 CGAEMO CCc1nnc(C[N@H+](Cc2ccccc2)CC2CCC2)n1C ZINC000195109596 376080711 /nfs/dbraw/zinc/08/07/11/376080711.db2.gz AJPIGGAGPDFRIX-UHFFFAOYSA-N 1 1 298.434 3.180 10 0 CGAEMO Cc1cnc([C@H](C)[NH2+]CCSc2ccccc2)o1 ZINC000220895611 376210819 /nfs/dbraw/zinc/21/08/19/376210819.db2.gz QLXNZYYTFWXCGN-LBPRGKRZSA-N 1 1 262.378 3.426 10 0 CGAEMO CO[C@H](C[NH2+][C@@H](C)c1ncc(C)o1)c1ccccc1 ZINC000338565601 376432108 /nfs/dbraw/zinc/43/21/08/376432108.db2.gz ZOTLLUIYJZETOH-GXTWGEPZSA-N 1 1 260.337 3.021 10 0 CGAEMO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000228488861 376438384 /nfs/dbraw/zinc/43/83/84/376438384.db2.gz LBEFYZIQDLDNOP-YESZJQIVSA-N 1 1 277.383 3.341 10 0 CGAEMO Cc1cccnc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000245544518 376847204 /nfs/dbraw/zinc/84/72/04/376847204.db2.gz UPFOQNJOVZBOFM-GDBMZVCRSA-N 1 1 286.375 3.071 10 0 CGAEMO C[C@H]1CC[N@@H+](CCC(=O)c2ccccc2)C[C@H]1n1ccnc1 ZINC000245561898 376855859 /nfs/dbraw/zinc/85/58/59/376855859.db2.gz LAYIMOHHKRCOAG-DOTOQJQBSA-N 1 1 297.402 3.039 10 0 CGAEMO C[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1n1ccnc1 ZINC000245712513 376887069 /nfs/dbraw/zinc/88/70/69/376887069.db2.gz SXXHBTXAQZNOOR-GXTWGEPZSA-N 1 1 290.798 3.015 10 0 CGAEMO CCOc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245723317 376889216 /nfs/dbraw/zinc/88/92/16/376889216.db2.gz UYSBXJLXHLOQHZ-RDJZCZTQSA-N 1 1 299.418 3.365 10 0 CGAEMO C[C@@H]1CC[N@@H+](Cc2ccnn2C)[C@H]1c1cccc(F)c1 ZINC000245718211 376889279 /nfs/dbraw/zinc/88/92/79/376889279.db2.gz HLZNRRXZCGOSRU-MLGOLLRUSA-N 1 1 273.355 3.142 10 0 CGAEMO Cc1n[nH]cc1C[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000245724202 376892824 /nfs/dbraw/zinc/89/28/24/376892824.db2.gz INJQXDCCQNUEEK-KSSFIOAISA-N 1 1 299.418 3.297 10 0 CGAEMO Cc1n[nH]cc1C[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000245724202 376892835 /nfs/dbraw/zinc/89/28/35/376892835.db2.gz INJQXDCCQNUEEK-KSSFIOAISA-N 1 1 299.418 3.297 10 0 CGAEMO Cc1n[nH]cc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000245801980 376909347 /nfs/dbraw/zinc/90/93/47/376909347.db2.gz XZJHUWUDEJPDLZ-CJNGLKHVSA-N 1 1 255.365 3.096 10 0 CGAEMO Cc1[nH]ncc1C[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000245801980 376909353 /nfs/dbraw/zinc/90/93/53/376909353.db2.gz XZJHUWUDEJPDLZ-CJNGLKHVSA-N 1 1 255.365 3.096 10 0 CGAEMO Cc1[nH]ncc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000245801980 376909360 /nfs/dbraw/zinc/90/93/60/376909360.db2.gz XZJHUWUDEJPDLZ-CJNGLKHVSA-N 1 1 255.365 3.096 10 0 CGAEMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000245915405 376933993 /nfs/dbraw/zinc/93/39/93/376933993.db2.gz QRTYVZJOZMIZBP-IAQYHMDHSA-N 1 1 296.361 3.016 10 0 CGAEMO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000246349082 377014936 /nfs/dbraw/zinc/01/49/36/377014936.db2.gz HMHXHJJASSWRDR-MQIPJXDCSA-N 1 1 282.378 3.344 10 0 CGAEMO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000246349082 377014948 /nfs/dbraw/zinc/01/49/48/377014948.db2.gz HMHXHJJASSWRDR-MQIPJXDCSA-N 1 1 282.378 3.344 10 0 CGAEMO C[C@H]1C[N@H+](CCc2cccnc2)C[C@@H](c2ccsc2)O1 ZINC000246551644 377052351 /nfs/dbraw/zinc/05/23/51/377052351.db2.gz QVOWFJIDZYPIBB-BBRMVZONSA-N 1 1 288.416 3.148 10 0 CGAEMO C[C@H]1C[N@@H+](CCc2cccnc2)C[C@@H](c2ccsc2)O1 ZINC000246551644 377052359 /nfs/dbraw/zinc/05/23/59/377052359.db2.gz QVOWFJIDZYPIBB-BBRMVZONSA-N 1 1 288.416 3.148 10 0 CGAEMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCS[C@@H](C)C2)c1C ZINC000246203807 376988812 /nfs/dbraw/zinc/98/88/12/376988812.db2.gz YBGDQRYGCVHXDV-GXTWGEPZSA-N 1 1 292.448 3.068 10 0 CGAEMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCS[C@@H](C)C2)c1C ZINC000246203807 376988821 /nfs/dbraw/zinc/98/88/21/376988821.db2.gz YBGDQRYGCVHXDV-GXTWGEPZSA-N 1 1 292.448 3.068 10 0 CGAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1nc(C(C)(C)C)cs1 ZINC000246261922 376999406 /nfs/dbraw/zinc/99/94/06/376999406.db2.gz QWCSMYTYBAKGRV-STQMWFEESA-N 1 1 293.480 3.109 10 0 CGAEMO CC[N@@H+](CC(=O)N[C@H]1CC[C@@H](C)c2ccccc21)C1CC1 ZINC000246612013 377062621 /nfs/dbraw/zinc/06/26/21/377062621.db2.gz PSWSGDDOKPNREI-DYVFJYSZSA-N 1 1 286.419 3.226 10 0 CGAEMO C[C@H](CCC(C)(C)C)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246789870 377090044 /nfs/dbraw/zinc/09/00/44/377090044.db2.gz PSRBPHFHODAIBZ-KFWWJZLASA-N 1 1 295.471 3.079 10 0 CGAEMO Cc1ccc(C)c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000247297526 377190474 /nfs/dbraw/zinc/19/04/74/377190474.db2.gz UNIRRVHFJJUVLZ-HZPDHXFCSA-N 1 1 277.433 3.010 10 0 CGAEMO COC[C@@H](C)[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000247251814 377185921 /nfs/dbraw/zinc/18/59/21/377185921.db2.gz DXPAHAPYAXADPM-OLZOCXBDSA-N 1 1 282.453 3.481 10 0 CGAEMO CO[C@@H](C)C[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000248442045 377318565 /nfs/dbraw/zinc/31/85/65/377318565.db2.gz VHMNDDQAEYQKKE-QWHCGFSZSA-N 1 1 282.453 3.481 10 0 CGAEMO CCn1cc([C@H]2C[N@@H+]([C@H](C)c3cccc(C)c3)CCO2)cn1 ZINC000248711108 377385457 /nfs/dbraw/zinc/38/54/57/377385457.db2.gz IWTREROCAWIUKD-CRAIPNDOSA-N 1 1 299.418 3.346 10 0 CGAEMO CCn1cc([C@H]2C[N@H+]([C@H](C)c3cccc(C)c3)CCO2)cn1 ZINC000248711108 377385465 /nfs/dbraw/zinc/38/54/65/377385465.db2.gz IWTREROCAWIUKD-CRAIPNDOSA-N 1 1 299.418 3.346 10 0 CGAEMO O=C(C[C@H]1CCC[N@H+]1C[C@H]1CCC=CO1)c1ccccc1 ZINC000248944286 377431824 /nfs/dbraw/zinc/43/18/24/377431824.db2.gz BZGRGKSNLXVCOX-IAGOWNOFSA-N 1 1 285.387 3.417 10 0 CGAEMO O[C@H](C[N@H+]1CCC[C@@H](c2nccs2)C1)c1ccccc1 ZINC000249853933 377536008 /nfs/dbraw/zinc/53/60/08/377536008.db2.gz CRHUUPLHKRCTPV-HUUCEWRRSA-N 1 1 288.416 3.056 10 0 CGAEMO Clc1cccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)c1 ZINC000177101996 542190475 /nfs/dbraw/zinc/19/04/75/542190475.db2.gz DRUVNCMMCMIUHU-HNNXBMFYSA-N 1 1 275.783 3.201 10 0 CGAEMO c1ccc(OCCC[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000177961378 542193316 /nfs/dbraw/zinc/19/33/16/542193316.db2.gz LFKWPYDDJVJFHP-GOSISDBHSA-N 1 1 298.386 3.004 10 0 CGAEMO C[C@H](CCN1C[C@@H]2CCC[N@H+]2C[C@H]1C)c1ccccc1 ZINC000251537208 377586382 /nfs/dbraw/zinc/58/63/82/377586382.db2.gz AORWGZKTVLVXSB-NUJGCVRESA-N 1 1 272.436 3.349 10 0 CGAEMO C[C@H](CC[N@@H+]1C[C@@H]2CCCN2C[C@H]1C)c1ccccc1 ZINC000251537208 377586385 /nfs/dbraw/zinc/58/63/85/377586385.db2.gz AORWGZKTVLVXSB-NUJGCVRESA-N 1 1 272.436 3.349 10 0 CGAEMO C[C@H](CC[N@H+]1C[C@@H]2CCCN2C[C@H]1C)c1ccccc1 ZINC000251537208 377586389 /nfs/dbraw/zinc/58/63/89/377586389.db2.gz AORWGZKTVLVXSB-NUJGCVRESA-N 1 1 272.436 3.349 10 0 CGAEMO C[C@@H](c1ccc(Cl)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251831155 377600582 /nfs/dbraw/zinc/60/05/82/377600582.db2.gz ZTJRVHDTTPQFLY-WFASDCNBSA-N 1 1 264.800 3.181 10 0 CGAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](C)CC1CCCC1 ZINC000253549198 377699846 /nfs/dbraw/zinc/69/98/46/377699846.db2.gz PIPKENNKPLXMMH-OIISXLGYSA-N 1 1 292.467 3.288 10 0 CGAEMO C[N@H+](Cc1c(Cl)cccc1Cl)[C@H]1CCC[C@H]1O ZINC000352659028 379897913 /nfs/dbraw/zinc/89/79/13/379897913.db2.gz 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YEZYPIHUSAWLOL-QZTJIDSGSA-N 1 1 273.420 3.246 10 0 CGAEMO c1csc([C@H](C2CCCCC2)[NH+]2CCNCC2)c1 ZINC000076680400 177058435 /nfs/dbraw/zinc/05/84/35/177058435.db2.gz PXKXTTGOYQYBOH-HNNXBMFYSA-N 1 1 264.438 3.275 10 0 CGAEMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ncc(Cl)s1 ZINC000681165459 543771241 /nfs/dbraw/zinc/77/12/41/543771241.db2.gz BMUBGPONMFBWKO-NEPJUHHUSA-N 1 1 299.871 3.245 10 0 CGAEMO Cc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc(C)c1O ZINC000108106003 270050937 /nfs/dbraw/zinc/05/09/37/270050937.db2.gz YQEQMFDAHKMWRB-JKSUJKDBSA-N 1 1 275.392 3.152 10 0 CGAEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2F)o1 ZINC000193635359 270079646 /nfs/dbraw/zinc/07/96/46/270079646.db2.gz LLUQYMVSYPLTBT-SNVBAGLBSA-N 1 1 294.301 3.156 10 0 CGAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCC2CCCCC2)o1 ZINC000194021784 270080946 /nfs/dbraw/zinc/08/09/46/270080946.db2.gz NEBKMSPTOUHSER-ZIAGYGMSSA-N 1 1 292.423 3.324 10 0 CGAEMO C[C@@H]1C[N@H+](C[C@H]2CCC=CO2)C[C@@H](c2ccccc2)O1 ZINC000249000538 274351993 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C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccccc1C(F)(F)F ZINC000399252879 288050631 /nfs/dbraw/zinc/05/06/31/288050631.db2.gz PPTGMZDBDNHZGP-CMPLNLGQSA-N 1 1 273.298 3.051 10 0 CGAEMO CCCCC[N@@H+](Cc1nnc(C(C)C)n1C)C(C)C ZINC000195067440 336044363 /nfs/dbraw/zinc/04/43/63/336044363.db2.gz BRBDWNFVYMWGPO-UHFFFAOYSA-N 1 1 266.433 3.339 10 0 CGAEMO CCCNc1snnc1C[N@H+](CC(C)C)C(C)C ZINC000050817474 520201989 /nfs/dbraw/zinc/20/19/89/520201989.db2.gz SDZHWNYASVPAMH-UHFFFAOYSA-N 1 1 270.446 3.226 10 0 CGAEMO CCCNc1snnc1C[N@@H+](CC(C)C)C(C)C ZINC000050817474 520201993 /nfs/dbraw/zinc/20/19/93/520201993.db2.gz SDZHWNYASVPAMH-UHFFFAOYSA-N 1 1 270.446 3.226 10 0 CGAEMO CCCC[N@H+](Cc1cc(CN)oc1C)[C@@H](C)CC ZINC000052372723 520545282 /nfs/dbraw/zinc/54/52/82/520545282.db2.gz HVCJEVSVPVXUOL-LBPRGKRZSA-N 1 1 252.402 3.447 10 0 CGAEMO CCCC[N@@H+](Cc1cc(CN)oc1C)[C@@H](C)CC ZINC000052372723 520545289 /nfs/dbraw/zinc/54/52/89/520545289.db2.gz HVCJEVSVPVXUOL-LBPRGKRZSA-N 1 1 252.402 3.447 10 0 CGAEMO CCC[C@@H](C)[N@@H+](C)Cc1nc(NC)ccc1Cl ZINC000061631307 520648955 /nfs/dbraw/zinc/64/89/55/520648955.db2.gz PONRCNJXOYUKJN-SNVBAGLBSA-N 1 1 255.793 3.397 10 0 CGAEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000103473089 522114012 /nfs/dbraw/zinc/11/40/12/522114012.db2.gz ATQRTLJJUOQPQO-CYBMUJFWSA-N 1 1 287.432 3.480 10 0 CGAEMO CC[C@@H]1CCC[N@H+]([C@@H]2C[C@H](C(C)C)CC[C@@H]2O)C1 ZINC000054558271 523254775 /nfs/dbraw/zinc/25/47/75/523254775.db2.gz ITKZFVXXYPMXSM-FPCVCCKLSA-N 1 1 253.430 3.294 10 0 CGAEMO Cc1ccc(CN2CC[C@@H](C[NH2+]CC(C)C)C2)cc1 ZINC000053012488 524467094 /nfs/dbraw/zinc/46/70/94/524467094.db2.gz UOSIPVDGPHRDGU-KRWDZBQOSA-N 1 1 260.425 3.063 10 0 CGAEMO C[C@H]1c2ccsc2CC[N@@H+]1CCc1ccccc1N ZINC000052918666 525132418 /nfs/dbraw/zinc/13/24/18/525132418.db2.gz CGGNTQSLRXYYKP-LBPRGKRZSA-N 1 1 272.417 3.492 10 0 CGAEMO Cc1nc(C)c([C@@H](C)[N@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)s1 ZINC000054601217 526742360 /nfs/dbraw/zinc/74/23/60/526742360.db2.gz CEIRMTBPOQRHEO-RTXFEEFZSA-N 1 1 278.421 3.407 10 0 CGAEMO Cc1nc(C)c([C@@H](C)[N@@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)s1 ZINC000054601217 526742363 /nfs/dbraw/zinc/74/23/63/526742363.db2.gz CEIRMTBPOQRHEO-RTXFEEFZSA-N 1 1 278.421 3.407 10 0 CGAEMO Cc1[nH+]c2cc(N)ccc2n1-c1cc(F)ccc1F ZINC000052842968 527122447 /nfs/dbraw/zinc/12/24/47/527122447.db2.gz AQAQYEDIKDHKGD-UHFFFAOYSA-N 1 1 259.259 3.194 10 0 CGAEMO [NH3+]C[C@H](c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000061608814 527230853 /nfs/dbraw/zinc/23/08/53/527230853.db2.gz CAIPALXYACJCBK-LBPRGKRZSA-N 1 1 271.751 3.307 10 0 CGAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)/C=C(\C)c1ccccc1 ZINC000177010721 618771725 /nfs/dbraw/zinc/77/17/25/618771725.db2.gz HOOCLWFMWXNJRO-VOGRQWBCSA-N 1 1 286.419 3.033 10 0 CGAEMO CCn1nc(C)c([C@H](C)NC[C@H](C)[NH+]2CCCCC2)c1C ZINC000045171903 622846775 /nfs/dbraw/zinc/84/67/75/622846775.db2.gz FAXZZDXLVBGZCS-KBPBESRZSA-N 1 1 292.471 3.045 10 0 CGAEMO Cc1cccc(NC[C@@H]2CC[N@@H+](C[Si](C)(C)C)C2)n1 ZINC000171736080 623188434 /nfs/dbraw/zinc/18/84/34/623188434.db2.gz 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CGAEMO [NH3+][C@H](c1ccns1)c1sccc1Br ZINC000307718611 346464700 /nfs/dbraw/zinc/46/47/00/346464700.db2.gz LVODMULLZCXMTI-SSDOTTSWSA-N 1 1 275.196 3.015 10 0 CGAEMO CN1C[C@@H]2C[N@H+](Cc3ccccc3)[C@@H](c3ccccc3)[C@H]2C1 ZINC000409429026 346605236 /nfs/dbraw/zinc/60/52/36/346605236.db2.gz HMADQGVNEBTSJJ-AABGKKOBSA-N 1 1 292.426 3.421 10 0 CGAEMO CN1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](c3ccccc3)[C@H]2C1 ZINC000409429026 346605238 /nfs/dbraw/zinc/60/52/38/346605238.db2.gz HMADQGVNEBTSJJ-AABGKKOBSA-N 1 1 292.426 3.421 10 0 CGAEMO C[N@H+]1CC[C@H](c2ccccc2)c2ccc(O)cc2C1 ZINC000584617071 346693714 /nfs/dbraw/zinc/69/37/14/346693714.db2.gz FMWOKLKALGCKQT-QGZVFWFLSA-N 1 1 253.345 3.360 10 0 CGAEMO Cc1cccc(C)c1[C@]1(O)CC[N@H+]2CCCC[C@@H]2C1 ZINC000584625422 346697226 /nfs/dbraw/zinc/69/72/26/346697226.db2.gz MAZYAQHCVVAFNR-WBVHZDCISA-N 1 1 259.393 3.139 10 0 CGAEMO CC(C)[N@H+]1CCOC[C@H](c2cccc3ccncc32)C1 ZINC000616593065 348838606 /nfs/dbraw/zinc/83/86/06/348838606.db2.gz HUIOLUKZAFQIHH-OAHLLOKOSA-N 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CGAEMO CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000158408955 372068380 /nfs/dbraw/zinc/06/83/80/372068380.db2.gz SEGGZMNEMZNOFH-OLZOCXBDSA-N 1 1 265.353 3.148 10 0 CGAEMO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1C ZINC000164802818 372533641 /nfs/dbraw/zinc/53/36/41/372533641.db2.gz SZKLBRAVBUGAKZ-GOEBONIOSA-N 1 1 284.407 3.389 10 0 CGAEMO CCC[N@@H+](C[C@@H](O)COCc1ccc(Cl)cc1)C1CC1 ZINC000171678638 372803465 /nfs/dbraw/zinc/80/34/65/372803465.db2.gz BTBKLVFNYCUPEA-MRXNPFEDSA-N 1 1 297.826 3.092 10 0 CGAEMO CC(C)[C@@H](C)CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172421368 372961502 /nfs/dbraw/zinc/96/15/02/372961502.db2.gz RBPARYNHUARTLE-HNNXBMFYSA-N 1 1 280.456 3.146 10 0 CGAEMO CCc1ccc([C@H]2CCCC[N@H+]2CCC(=O)NC(C)C)o1 ZINC000172871252 373053381 /nfs/dbraw/zinc/05/33/81/373053381.db2.gz KSSOANLCJLLDEZ-OAHLLOKOSA-N 1 1 292.423 3.284 10 0 CGAEMO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000173621474 373167244 /nfs/dbraw/zinc/16/72/44/373167244.db2.gz DMTPOJCJDJDRRF-DZGCQCFKSA-N 1 1 284.407 3.416 10 0 CGAEMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1nnc(C(C)C)n1C ZINC000173712049 373179306 /nfs/dbraw/zinc/17/93/06/373179306.db2.gz KDVIKLXJQGETGK-KBPBESRZSA-N 1 1 278.444 3.339 10 0 CGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CC1CCCCC1 ZINC000177180565 373661127 /nfs/dbraw/zinc/66/11/27/373661127.db2.gz ZLLKSSYYKTWPAV-INIZCTEOSA-N 1 1 289.423 3.153 10 0 CGAEMO C[C@H](Nc1cc[nH+]cc1Cl)c1cn(-c2ccccc2)nn1 ZINC000177457797 373683714 /nfs/dbraw/zinc/68/37/14/373683714.db2.gz XWRWOYDYWSZHFG-NSHDSACASA-N 1 1 299.765 3.489 10 0 CGAEMO Cc1cc(C)nc(N[C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000301201582 373690059 /nfs/dbraw/zinc/69/00/59/373690059.db2.gz NEZSUIIJOBCKSO-OAHLLOKOSA-N 1 1 288.439 3.302 10 0 CGAEMO CC[N@H+]1CCC[C@H](Nc2ncc(C(F)(F)F)s2)C1 ZINC000302776891 373957759 /nfs/dbraw/zinc/95/77/59/373957759.db2.gz PBDJHSQUAMJWQJ-QMMMGPOBSA-N 1 1 279.331 3.058 10 0 CGAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccsc1Cl ZINC000312753380 374290727 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COc1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000124574141 187143421 /nfs/dbraw/zinc/14/34/21/187143421.db2.gz YFUYYZOFNVMDSQ-KSZLIROESA-N 1 1 289.419 3.211 10 0 CGAEMO C[C@H]([NH3+])c1cnc(-c2ccc(Cl)cc2Cl)[nH]1 ZINC000082517034 178078591 /nfs/dbraw/zinc/07/85/91/178078591.db2.gz JYVQFKMQCRCYHA-LURJTMIESA-N 1 1 256.136 3.403 10 0 CGAEMO COC(=O)C[C@H]1c2ccccc2C[N@@H+]1Cc1ccccc1 ZINC000095830921 185029900 /nfs/dbraw/zinc/02/99/00/185029900.db2.gz SBTPNLFSCKSEDO-KRWDZBQOSA-N 1 1 281.355 3.307 10 0 CGAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000090223374 282101268 /nfs/dbraw/zinc/10/12/68/282101268.db2.gz IDFOSAMAJHGREH-WPRPVWTQSA-N 1 1 296.827 3.487 10 0 CGAEMO C[N@H+]1CCc2[nH]nc(-c3ccc(OC(C)(C)C)cc3)c2C1 ZINC000082807711 178309794 /nfs/dbraw/zinc/30/97/94/178309794.db2.gz IJFXMKNFMVJCCA-UHFFFAOYSA-N 1 1 285.391 3.242 10 0 CGAEMO CCC(CC)[N@@H+](CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000177064814 282177416 /nfs/dbraw/zinc/17/74/16/282177416.db2.gz WCFGMXUFUMCRBU-OAHLLOKOSA-N 1 1 273.461 3.309 10 0 CGAEMO Cc1csc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000043533821 345000465 /nfs/dbraw/zinc/00/04/65/345000465.db2.gz BKUSKOCJFLRGOP-UHFFFAOYSA-N 1 1 287.432 3.164 10 0 CGAEMO Clc1cnccc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000088781384 345765850 /nfs/dbraw/zinc/76/58/50/345765850.db2.gz JIZIXMIJYXVYHQ-AWEZNQCLSA-N 1 1 274.751 3.348 10 0 CGAEMO OC[C@H](Nc1[nH]c2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000092961061 345864810 /nfs/dbraw/zinc/86/48/10/345864810.db2.gz WUJCHEIIJRHAMD-AWEZNQCLSA-N 1 1 287.750 3.362 10 0 CGAEMO CCCOc1cccc(C[NH+]2[C@H](C)COC[C@H]2C)c1 ZINC000093607257 345883535 /nfs/dbraw/zinc/88/35/35/345883535.db2.gz WNAIRONTVBMQSX-ZIAGYGMSSA-N 1 1 263.381 3.085 10 0 CGAEMO Cc1ccc([C@H]2[NH2+][C@@H](C)CS2)c(Br)c1 ZINC000129759586 346052272 /nfs/dbraw/zinc/05/22/72/346052272.db2.gz YCHJTBPHNPFRES-KWQFWETISA-N 1 1 272.211 3.481 10 0 CGAEMO Cc1c(N)nc(C(C)C)[nH+]c1NCc1ccccc1 ZINC000133061235 346074949 /nfs/dbraw/zinc/07/49/49/346074949.db2.gz XMRCOYVOGCTFTI-UHFFFAOYSA-N 1 1 256.353 3.103 10 0 CGAEMO C[N@@H+]1Cc2ccccc2[C@H](c2ccc3nnccc3c2)C1 ZINC000164815441 346182999 /nfs/dbraw/zinc/18/29/99/346182999.db2.gz RNEUOBOHNKDECR-KRWDZBQOSA-N 1 1 275.355 3.207 10 0 CGAEMO C[N@@H+]1Cc2ccccc2[C@@H](c2ccc3nnccc3c2)C1 ZINC000164815597 346183093 /nfs/dbraw/zinc/18/30/93/346183093.db2.gz RNEUOBOHNKDECR-QGZVFWFLSA-N 1 1 275.355 3.207 10 0 CGAEMO CCc1ccc([C@H]2CCCC[N@H+]2CC(=O)N[C@H](C)CC)o1 ZINC000246799813 346364726 /nfs/dbraw/zinc/36/47/26/346364726.db2.gz PKSXDDVBCIYYFJ-UKRRQHHQSA-N 1 1 292.423 3.284 10 0 CGAEMO CCc1ccc([C@H]2CCCC[N@@H+]2CC(=O)N[C@H](C)CC)o1 ZINC000246799813 346364730 /nfs/dbraw/zinc/36/47/30/346364730.db2.gz PKSXDDVBCIYYFJ-UKRRQHHQSA-N 1 1 292.423 3.284 10 0 CGAEMO CC(C)C[C@@H]1[C@@H]2CN(C)C[C@H]2C[N@@H+]1Cc1ccccc1 ZINC000409429425 346605406 /nfs/dbraw/zinc/60/54/06/346605406.db2.gz JLLWWPICGWPLRQ-RCCFBDPRSA-N 1 1 272.436 3.095 10 0 CGAEMO CC(C)C[C@@H]1[C@@H]2CN(C)C[C@H]2C[N@H+]1Cc1ccccc1 ZINC000409429425 346605408 /nfs/dbraw/zinc/60/54/08/346605408.db2.gz JLLWWPICGWPLRQ-RCCFBDPRSA-N 1 1 272.436 3.095 10 0 CGAEMO C[C@@H](O)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)[N@H+]2C ZINC000584640403 346702787 /nfs/dbraw/zinc/70/27/87/346702787.db2.gz BXNTWUCQENXGRL-LMLQULGWSA-N 1 1 259.393 3.024 10 0 CGAEMO COC[C@@H]1CCC[N@H+]1C1=Cc2cccc(OC)c2CC1 ZINC000584660312 346705693 /nfs/dbraw/zinc/70/56/93/346705693.db2.gz MYYDRXLACQWITD-HNNXBMFYSA-N 1 1 273.376 3.093 10 0 CGAEMO CC(C)[N@H+]1CCC[C@H](c2ccc3nnccc3c2)C1 ZINC000616618508 348847303 /nfs/dbraw/zinc/84/73/03/348847303.db2.gz XXOSWSWNPWWUPX-HNNXBMFYSA-N 1 1 255.365 3.218 10 0 CGAEMO CC(C)(C)[N@H+]1CCO[C@@H](c2cnnc3ccccc32)CC1 ZINC000616596483 348840459 /nfs/dbraw/zinc/84/04/59/348840459.db2.gz WREXEVOYRZELQN-MRXNPFEDSA-N 1 1 285.391 3.192 10 0 CGAEMO CC(C)[N@H+]1CCO[C@@H](c2cccc3ccncc32)CC1 ZINC000616596532 348840650 /nfs/dbraw/zinc/84/06/50/348840650.db2.gz ZLITZIDSXRQERF-QGZVFWFLSA-N 1 1 270.376 3.407 10 0 CGAEMO CCOC(=O)c1ccc([C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000616605816 348843333 /nfs/dbraw/zinc/84/33/33/348843333.db2.gz VOKIGWDGUVJWCN-OAHLLOKOSA-N 1 1 261.365 3.063 10 0 CGAEMO c1nnoc1[C@@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000616624140 348849837 /nfs/dbraw/zinc/84/98/37/348849837.db2.gz VBBSYYLJRURVLF-AWEZNQCLSA-N 1 1 257.337 3.187 10 0 CGAEMO CC[N@H+]1CCC[C@H](c2ccccc2NC(C)=O)CC1 ZINC000616626728 348850733 /nfs/dbraw/zinc/85/07/33/348850733.db2.gz ACNKCVRHORBAPQ-AWEZNQCLSA-N 1 1 260.381 3.234 10 0 CGAEMO CC(C)(C)[N@H+]1CCOC[C@H]1c1cccc2ccncc21 ZINC000616641008 348854266 /nfs/dbraw/zinc/85/42/66/348854266.db2.gz RRRCBXRFBSHYGE-INIZCTEOSA-N 1 1 270.376 3.407 10 0 CGAEMO CC(C)[N@@H+]1CCOC[C@H]1c1ccc2ccccc2n1 ZINC000616641767 348854520 /nfs/dbraw/zinc/85/45/20/348854520.db2.gz PDCGPQCIJZDVGI-INIZCTEOSA-N 1 1 256.349 3.017 10 0 CGAEMO CC(C)[N@H+]1CCOC[C@H]1c1ccc2ccccc2n1 ZINC000616641767 348854523 /nfs/dbraw/zinc/85/45/23/348854523.db2.gz PDCGPQCIJZDVGI-INIZCTEOSA-N 1 1 256.349 3.017 10 0 CGAEMO CC(C)[N@H+]1CCO[C@@H](c2ccc3ncccc3c2)C1 ZINC000616645833 348854611 /nfs/dbraw/zinc/85/46/11/348854611.db2.gz UMOUDNCMBJHDMU-MRXNPFEDSA-N 1 1 256.349 3.017 10 0 CGAEMO CC(C)[N@H+]1CCOC[C@H]1c1cccc2cnccc21 ZINC000616641176 348854887 /nfs/dbraw/zinc/85/48/87/348854887.db2.gz CVDPGYGVHKAXTL-INIZCTEOSA-N 1 1 256.349 3.017 10 0 CGAEMO OCc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000616652854 348856870 /nfs/dbraw/zinc/85/68/70/348856870.db2.gz PREKCTNNJOELQN-IBGZPJMESA-N 1 1 297.398 3.143 10 0 CGAEMO Fc1cccc([C@@H]2COCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000616661827 348858838 /nfs/dbraw/zinc/85/88/38/348858838.db2.gz ZNMAQIZAFNKJBL-KRWDZBQOSA-N 1 1 285.362 3.442 10 0 CGAEMO CC(C)[N@H+]1CCOC[C@H](c2ccc3cnccc3c2)C1 ZINC000616660657 348859031 /nfs/dbraw/zinc/85/90/31/348859031.db2.gz PAQDITVOLVBJLS-QGZVFWFLSA-N 1 1 270.376 3.059 10 0 CGAEMO CC(C)(C)[N@H+]1CCOC[C@H](c2cccc3ccncc32)C1 ZINC000616661511 348859036 /nfs/dbraw/zinc/85/90/36/348859036.db2.gz TVUWUGCQBLNAFQ-OAHLLOKOSA-N 1 1 284.403 3.449 10 0 CGAEMO OCc1cccc([C@@H]2CC[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000616662845 348859604 /nfs/dbraw/zinc/85/96/04/348859604.db2.gz AKVXODJJOGYNHX-IBGZPJMESA-N 1 1 297.398 3.143 10 0 CGAEMO CNc1cccc([C@H]2COCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000616664376 348859927 /nfs/dbraw/zinc/85/99/27/348859927.db2.gz ZWXKXGNPLHJHCO-GOSISDBHSA-N 1 1 296.414 3.344 10 0 CGAEMO CC(C)(C)[N@H+]1CCc2ccccc2[C@H]1c1cc[nH]n1 ZINC000616678148 348864386 /nfs/dbraw/zinc/86/43/86/348864386.db2.gz DVQWEBSWRFJGRC-HNNXBMFYSA-N 1 1 255.365 3.156 10 0 CGAEMO C[N@H+]1CCc2ccccc2[C@H]1CCNC(=O)OC(C)(C)C ZINC000616679164 348864588 /nfs/dbraw/zinc/86/45/88/348864588.db2.gz LHFAXMRYXZZILW-OAHLLOKOSA-N 1 1 290.407 3.130 10 0 CGAEMO CC(=O)[C@@H]1c2ccccc2CC[N@H+]1Cc1ccccc1 ZINC000616681170 348865801 /nfs/dbraw/zinc/86/58/01/348865801.db2.gz WEYSKDQKYCTXBD-GOSISDBHSA-N 1 1 265.356 3.375 10 0 CGAEMO CC(=O)[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccccc1 ZINC000616681170 348865802 /nfs/dbraw/zinc/86/58/02/348865802.db2.gz WEYSKDQKYCTXBD-GOSISDBHSA-N 1 1 265.356 3.375 10 0 CGAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000122930449 187060751 /nfs/dbraw/zinc/06/07/51/187060751.db2.gz SCZSEJXOSPQTTP-INIZCTEOSA-N 1 1 299.418 3.291 10 0 CGAEMO CC(C)[N@@H+](C[C@@H](O)COC(C)(C)C)C1CCCCC1 ZINC000123215956 187078262 /nfs/dbraw/zinc/07/82/62/187078262.db2.gz DYLBSPCXIKNUPC-OAHLLOKOSA-N 1 1 271.445 3.206 10 0 CGAEMO Cc1ccc(CC[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000124499601 138375618 /nfs/dbraw/zinc/37/56/18/138375618.db2.gz NQELGYJLKWTLIH-QGZVFWFLSA-N 1 1 269.392 3.108 10 0 CGAEMO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(F)c(Cl)c1 ZINC000176683756 189004297 /nfs/dbraw/zinc/00/42/97/189004297.db2.gz SGRNKZKBGZTERW-ZANVPECISA-N 1 1 294.761 3.256 10 0 CGAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000180120583 189238118 /nfs/dbraw/zinc/23/81/18/189238118.db2.gz REYMLNHRMVILEO-INIZCTEOSA-N 1 1 291.345 3.134 10 0 CGAEMO Cc1cc(C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)no1 ZINC000180669004 189269239 /nfs/dbraw/zinc/26/92/39/189269239.db2.gz OKYBKTXPLCMDNA-ZDUSSCGKSA-N 1 1 282.347 3.020 10 0 CGAEMO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccnn1C ZINC000192817434 299352362 /nfs/dbraw/zinc/35/23/62/299352362.db2.gz JTAPGCLAGGHQID-KSSFIOAISA-N 1 1 292.386 3.255 10 0 CGAEMO CCO[C@@H]1C[C@H]([N@@H+](C)CC2CCOCC2)C12CCCC2 ZINC000121137570 370833572 /nfs/dbraw/zinc/83/35/72/370833572.db2.gz YVKUWCPBYCCDSS-JKSUJKDBSA-N 1 1 281.440 3.083 10 0 CGAEMO Cc1ccc(CC[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000124961394 370928865 /nfs/dbraw/zinc/92/88/65/370928865.db2.gz PSZYSUVLZHTDAE-QGZVFWFLSA-N 1 1 269.392 3.488 10 0 CGAEMO CCOc1ccc([C@H](CN)[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000022854009 368812845 /nfs/dbraw/zinc/81/28/45/368812845.db2.gz RANIHJNVMSKCDN-VBQJREDUSA-N 1 1 276.424 3.348 10 0 CGAEMO CCOc1ccc([C@H](CN)[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000022854009 368812850 /nfs/dbraw/zinc/81/28/50/368812850.db2.gz RANIHJNVMSKCDN-VBQJREDUSA-N 1 1 276.424 3.348 10 0 CGAEMO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccco1 ZINC000035738802 369003916 /nfs/dbraw/zinc/00/39/16/369003916.db2.gz ZSPZKIPIXLRXEB-RYUDHWBXSA-N 1 1 293.388 3.095 10 0 CGAEMO Cc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)COC(C)C)s1 ZINC000036100939 369008451 /nfs/dbraw/zinc/00/84/51/369008451.db2.gz RBDBXKDVTHTERR-OAHLLOKOSA-N 1 1 299.480 3.300 10 0 CGAEMO O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]1CCCCC2 ZINC000036379728 369018787 /nfs/dbraw/zinc/01/87/87/369018787.db2.gz CAKHVQISVLHFSJ-IYBDPMFKSA-N 1 1 257.377 3.268 10 0 CGAEMO Cc1ccc([C@@H](C)N[C@H](CC(C)C)C[NH+](C)C)o1 ZINC000037167151 369074092 /nfs/dbraw/zinc/07/40/92/369074092.db2.gz OBRHHPZZMPGZNZ-ZIAGYGMSSA-N 1 1 252.402 3.215 10 0 CGAEMO CC[N@H+]1CCC[C@H](Nc2ncnc3sc(C)c(C)c32)C1 ZINC000040503273 369159686 /nfs/dbraw/zinc/15/96/86/369159686.db2.gz CMHIALTYFFEVFG-LBPRGKRZSA-N 1 1 290.436 3.204 10 0 CGAEMO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(C)on1 ZINC000044692447 369267730 /nfs/dbraw/zinc/26/77/30/369267730.db2.gz MXEZZKZJAJNPPG-INIZCTEOSA-N 1 1 272.348 3.159 10 0 CGAEMO OCC[N@@H+](Cc1ccc2ccccc2n1)C1CCCCC1 ZINC000049857016 369419291 /nfs/dbraw/zinc/41/92/91/369419291.db2.gz SDRTZTCCBBQEAG-UHFFFAOYSA-N 1 1 284.403 3.362 10 0 CGAEMO OCCC[C@@H]1CCC[N@H+]1Cc1ccccc1OC(F)F ZINC000052763086 369471684 /nfs/dbraw/zinc/47/16/84/369471684.db2.gz HUGCYUVGRHAQBW-ZDUSSCGKSA-N 1 1 285.334 3.025 10 0 CGAEMO OCCC[C@@H]1CCC[N@H+]1Cc1csc(-c2ccco2)n1 ZINC000052763084 369471891 /nfs/dbraw/zinc/47/18/91/369471891.db2.gz LSWVJWMOADTLJV-ZDUSSCGKSA-N 1 1 292.404 3.140 10 0 CGAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCCCC(F)(F)F ZINC000128967124 370968856 /nfs/dbraw/zinc/96/88/56/370968856.db2.gz GULWFKGALQOFJI-QWHCGFSZSA-N 1 1 278.362 3.278 10 0 CGAEMO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCCCC(F)(F)F ZINC000128967124 370968862 /nfs/dbraw/zinc/96/88/62/370968862.db2.gz GULWFKGALQOFJI-QWHCGFSZSA-N 1 1 278.362 3.278 10 0 CGAEMO C[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCCCC(F)(F)F ZINC000128967124 370968867 /nfs/dbraw/zinc/96/88/67/370968867.db2.gz GULWFKGALQOFJI-QWHCGFSZSA-N 1 1 278.362 3.278 10 0 CGAEMO Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)n1 ZINC000092813069 370103433 /nfs/dbraw/zinc/10/34/33/370103433.db2.gz YFHJBZDBCMCAHF-IRXDYDNUSA-N 1 1 285.435 3.480 10 0 CGAEMO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccsc3)C2)n1 ZINC000092813404 370103513 /nfs/dbraw/zinc/10/35/13/370103513.db2.gz NGYSWUSKLSOBMW-CQSZACIVSA-N 1 1 287.432 3.386 10 0 CGAEMO CC(C)[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000095088390 370172607 /nfs/dbraw/zinc/17/26/07/370172607.db2.gz NCXLVENLIGIELO-FKEKPDDDSA-N 1 1 260.425 3.141 10 0 CGAEMO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cn(C)nc2C)o1 ZINC000093443864 370131541 /nfs/dbraw/zinc/13/15/41/370131541.db2.gz IOTXEWLCSVPVIA-OAHLLOKOSA-N 1 1 273.380 3.357 10 0 CGAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000093612974 370147988 /nfs/dbraw/zinc/14/79/88/370147988.db2.gz DMZRAUSUPXWMMM-GFCCVEGCSA-N 1 1 290.436 3.369 10 0 CGAEMO CC(C)c1csc([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000093612974 370147990 /nfs/dbraw/zinc/14/79/90/370147990.db2.gz DMZRAUSUPXWMMM-GFCCVEGCSA-N 1 1 290.436 3.369 10 0 CGAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000093612974 370147992 /nfs/dbraw/zinc/14/79/92/370147992.db2.gz DMZRAUSUPXWMMM-GFCCVEGCSA-N 1 1 290.436 3.369 10 0 CGAEMO COCCCCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000103228233 370321460 /nfs/dbraw/zinc/32/14/60/370321460.db2.gz GSKJWSOELPSNMN-HNNXBMFYSA-N 1 1 291.391 3.369 10 0 CGAEMO Cn1c(C[N@H+]2CCC[C@@H]2C2CCC2)nnc1-c1ccccc1 ZINC000102927848 370314919 /nfs/dbraw/zinc/31/49/19/370314919.db2.gz DIZSFFWGSPEZMC-MRXNPFEDSA-N 1 1 296.418 3.247 10 0 CGAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000105899908 370350742 /nfs/dbraw/zinc/35/07/42/370350742.db2.gz MGZPFBOSNUJSGJ-MRXNPFEDSA-N 1 1 255.365 3.029 10 0 CGAEMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000104133404 370338470 /nfs/dbraw/zinc/33/84/70/370338470.db2.gz FHUMNCGVPFTYMF-SWLSCSKDSA-N 1 1 294.826 3.392 10 0 CGAEMO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccc(F)c(Cl)c1 ZINC000112342750 370422410 /nfs/dbraw/zinc/42/24/10/370422410.db2.gz 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/nfs/dbraw/zinc/20/80/85/376208085.db2.gz BJAVLHXTUGWNQY-XJKSGUPXSA-N 1 1 281.346 3.092 10 0 CGAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(F)cc(Cl)c2)C1 ZINC000152930989 371736038 /nfs/dbraw/zinc/73/60/38/371736038.db2.gz IZFAOPWHKRUWJZ-LBPRGKRZSA-N 1 1 299.777 3.085 10 0 CGAEMO CCC(CC)C[N@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000153908634 371798798 /nfs/dbraw/zinc/79/87/98/371798798.db2.gz WTSBCXWVMYMYQY-CQSZACIVSA-N 1 1 265.401 3.069 10 0 CGAEMO CCC(CC)C[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000153927914 371800739 /nfs/dbraw/zinc/80/07/39/371800739.db2.gz CZPXZNKACCTSHW-ZDUSSCGKSA-N 1 1 268.426 3.261 10 0 CGAEMO CCC(CC)C[N@H+]1CCCN(Cc2csc(C)n2)CC1 ZINC000153912939 371800805 /nfs/dbraw/zinc/80/08/05/371800805.db2.gz FNZWLMBQNHZTDG-UHFFFAOYSA-N 1 1 295.496 3.395 10 0 CGAEMO CC[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000159031484 372100633 /nfs/dbraw/zinc/10/06/33/372100633.db2.gz GZPLNWSCTOEUGS-BHYGNILZSA-N 1 1 288.435 3.025 10 0 CGAEMO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cnn(C)c1 ZINC000164958695 372537687 /nfs/dbraw/zinc/53/76/87/372537687.db2.gz ROLMETTWXHTJNE-KSSFIOAISA-N 1 1 292.386 3.255 10 0 CGAEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cc(C)ccc3C)C2)no1 ZINC000171408429 372752091 /nfs/dbraw/zinc/75/20/91/372752091.db2.gz FTBIWANJYODJCW-MRXNPFEDSA-N 1 1 299.418 3.450 10 0 CGAEMO COCCCCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000171500909 372774345 /nfs/dbraw/zinc/77/43/45/372774345.db2.gz LQFUJRMDQLWATM-ZDUSSCGKSA-N 1 1 268.426 3.487 10 0 CGAEMO CC(C)c1cccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000171887119 372848049 /nfs/dbraw/zinc/84/80/49/372848049.db2.gz HUNKQOMTXMEOIK-INIZCTEOSA-N 1 1 287.407 3.122 10 0 CGAEMO CCn1c(C)nnc1C[N@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000172077409 372895531 /nfs/dbraw/zinc/89/55/31/372895531.db2.gz QYNSATJJTQJVTG-QGZVFWFLSA-N 1 1 298.434 3.122 10 0 CGAEMO CCn1c(C)nnc1C[N@H+]1CCCCC[C@@H]1CC(C)C ZINC000172666936 373007340 /nfs/dbraw/zinc/00/73/40/373007340.db2.gz ZTARIWZUJNBRLX-OAHLLOKOSA-N 1 1 278.444 3.397 10 0 CGAEMO 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PIRNKXMKPMZNME-HNNXBMFYSA-N 1 1 291.439 3.435 10 0 CGAEMO Cc1nccn1C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000178287552 373761228 /nfs/dbraw/zinc/76/12/28/373761228.db2.gz WOGHPZXSJLOIEW-MRXNPFEDSA-N 1 1 261.413 3.236 10 0 CGAEMO CCC[C@H](C)C[N@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000179999899 373952864 /nfs/dbraw/zinc/95/28/64/373952864.db2.gz CWMTYYHKVPSMKI-GXTWGEPZSA-N 1 1 265.401 3.069 10 0 CGAEMO CC1(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCCCCC1 ZINC000180596651 374026384 /nfs/dbraw/zinc/02/63/84/374026384.db2.gz UFYKCASRFWUQPI-OAHLLOKOSA-N 1 1 278.440 3.044 10 0 CGAEMO CC1(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCCCCC1 ZINC000180596651 374026392 /nfs/dbraw/zinc/02/63/92/374026392.db2.gz UFYKCASRFWUQPI-OAHLLOKOSA-N 1 1 278.440 3.044 10 0 CGAEMO Cc1ccc(CCC[N@H+]2CCCN(C3CC3)CC2)cc1 ZINC000181643774 374149278 /nfs/dbraw/zinc/14/92/78/374149278.db2.gz IYSVWRUKTCRUQH-UHFFFAOYSA-N 1 1 272.436 3.098 10 0 CGAEMO Cc1ccc(CCCN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000181643774 374149287 /nfs/dbraw/zinc/14/92/87/374149287.db2.gz IYSVWRUKTCRUQH-UHFFFAOYSA-N 1 1 272.436 3.098 10 0 CGAEMO Cc1ccc(CCCN2CCC[N@H+](C3CC3)CC2)cc1 ZINC000181643774 374149298 /nfs/dbraw/zinc/14/92/98/374149298.db2.gz IYSVWRUKTCRUQH-UHFFFAOYSA-N 1 1 272.436 3.098 10 0 CGAEMO O=C(CC[N@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000182664115 374308251 /nfs/dbraw/zinc/30/82/51/374308251.db2.gz NKISVFDOBHKVJA-MRXNPFEDSA-N 1 1 283.375 3.210 10 0 CGAEMO Cc1ccccc1[C@H]([NH2+]Cc1nnnn1C(C)C)C(C)C ZINC000183233402 374389071 /nfs/dbraw/zinc/38/90/71/374389071.db2.gz GLVJNMHOEHUBAZ-MRXNPFEDSA-N 1 1 287.411 3.049 10 0 CGAEMO CCC[C@H](C)C[N@H+]1CCCN(Cc2csc(C)n2)CC1 ZINC000183450523 374416099 /nfs/dbraw/zinc/41/60/99/374416099.db2.gz CJXMSVLMSUJOEK-AWEZNQCLSA-N 1 1 295.496 3.395 10 0 CGAEMO Cc1oc2ccccc2c1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000185373199 374649918 /nfs/dbraw/zinc/64/99/18/374649918.db2.gz QUAKJKVUICRIOV-AWEZNQCLSA-N 1 1 298.386 3.052 10 0 CGAEMO Cc1oc2ccccc2c1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000185373199 374649923 /nfs/dbraw/zinc/64/99/23/374649923.db2.gz QUAKJKVUICRIOV-AWEZNQCLSA-N 1 1 298.386 3.052 10 0 CGAEMO c1ncn(C[C@@H]2CCC[N@H+](CCCCc3ccccc3)C2)n1 ZINC000187042857 374960581 /nfs/dbraw/zinc/96/05/81/374960581.db2.gz FZIXBRMHAGPJMD-GOSISDBHSA-N 1 1 298.434 3.013 10 0 CGAEMO COC(=O)c1ccccc1CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000187047626 374962473 /nfs/dbraw/zinc/96/24/73/374962473.db2.gz YAZQVVNFHOGTLZ-INIZCTEOSA-N 1 1 299.370 3.446 10 0 CGAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3ccc(F)nc3)C2)n1 ZINC000189314869 375364260 /nfs/dbraw/zinc/36/42/60/375364260.db2.gz UULCDFQCQFPVAS-CYBMUJFWSA-N 1 1 291.395 3.365 10 0 CGAEMO CCCC[C@H](CC)C[N@H+]1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189337309 375370769 /nfs/dbraw/zinc/37/07/69/375370769.db2.gz XBWWNCMNGQGJID-SOUVJXGZSA-N 1 1 295.427 3.356 10 0 CGAEMO Cc1ccc2cc(CN[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)ccc2n1 ZINC000189380642 375379190 /nfs/dbraw/zinc/37/91/90/375379190.db2.gz DMKUWLYUFFBPKI-IFXJQAMLSA-N 1 1 297.446 3.362 10 0 CGAEMO Cc1ccc2cc(CN[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)ccc2n1 ZINC000189380642 375379194 /nfs/dbraw/zinc/37/91/94/375379194.db2.gz DMKUWLYUFFBPKI-IFXJQAMLSA-N 1 1 297.446 3.362 10 0 CGAEMO CCc1cccc(CN2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000189802752 375447060 /nfs/dbraw/zinc/44/70/60/375447060.db2.gz YTNOCINKQQFUPJ-HNNXBMFYSA-N 1 1 270.380 3.094 10 0 CGAEMO CCC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000190212313 375484315 /nfs/dbraw/zinc/48/43/15/375484315.db2.gz MJKIVKRMBPEIPI-INIZCTEOSA-N 1 1 275.392 3.208 10 0 CGAEMO CCC(=O)CC[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000190212313 375484320 /nfs/dbraw/zinc/48/43/20/375484320.db2.gz MJKIVKRMBPEIPI-INIZCTEOSA-N 1 1 275.392 3.208 10 0 CGAEMO CC1=CCC[C@@H](C)[C@H]1C[N@H+]1CCCN(C2CC2)CC1 ZINC000191059887 375570072 /nfs/dbraw/zinc/57/00/72/375570072.db2.gz RWXITSSRHYKOKS-WBVHZDCISA-N 1 1 262.441 3.149 10 0 CGAEMO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1nccn1C(F)F ZINC000191656581 375650101 /nfs/dbraw/zinc/65/01/01/375650101.db2.gz FVZICXHVFPICGR-LBPRGKRZSA-N 1 1 293.317 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Cc1ccc(C[N@@H+](C)Cc2ccc3cccc(O)c3n2)o1 ZINC000067604141 327088019 /nfs/dbraw/zinc/08/80/19/327088019.db2.gz LPIOZDXWPABBKL-UHFFFAOYSA-N 1 1 282.343 3.474 10 0 CGAEMO Cc1ccc(C[N@H+](C)Cc2ccc3cccc(O)c3n2)o1 ZINC000067604141 327088021 /nfs/dbraw/zinc/08/80/21/327088021.db2.gz LPIOZDXWPABBKL-UHFFFAOYSA-N 1 1 282.343 3.474 10 0 CGAEMO CC(C)C[C@@H]1C[N@H+]([C@@H]2CCC[C@H](C)C2)CCCN1 ZINC000062624678 519270144 /nfs/dbraw/zinc/27/01/44/519270144.db2.gz XYPJHJJRIQFTSJ-ARFHVFGLSA-N 1 1 252.446 3.275 10 0 CGAEMO CCNc1snnc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000050814262 520387410 /nfs/dbraw/zinc/38/74/10/520387410.db2.gz UWTITLWKRGXMEC-AAEUAGOBSA-N 1 1 280.441 3.125 10 0 CGAEMO CCNc1snnc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000050814262 520387417 /nfs/dbraw/zinc/38/74/17/520387417.db2.gz UWTITLWKRGXMEC-AAEUAGOBSA-N 1 1 280.441 3.125 10 0 CGAEMO CCCC[C@@H]([NH2+]C1(C2CCC2)CCC1)C(=O)OC ZINC000459783344 500660261 /nfs/dbraw/zinc/66/02/61/500660261.db2.gz ZFKBHXGFYYFSEB-CYBMUJFWSA-N 1 1 253.386 3.031 10 0 CGAEMO CC[C@H](C)[C@@H]([NH2+]C1CCC(C(C)C)CC1)C(=O)OC ZINC000054555722 521857241 /nfs/dbraw/zinc/85/72/41/521857241.db2.gz YJXJQUMMCZDMRL-VXGQWTEUSA-N 1 1 269.429 3.379 10 0 CGAEMO CCCC1CC[NH+]([C@H](CNC2CC2)C(C)C)CC1 ZINC000052373770 519903419 /nfs/dbraw/zinc/90/34/19/519903419.db2.gz WIHUZXQCCPNMOF-MRXNPFEDSA-N 1 1 252.446 3.275 10 0 CGAEMO CCN[C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@H+](C)CC(C)C ZINC000054554937 520218514 /nfs/dbraw/zinc/21/85/14/520218514.db2.gz YKPKFYMGFZVWIN-PMPSAXMXSA-N 1 1 254.462 3.377 10 0 CGAEMO CCN[C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@@H+](C)CC(C)C ZINC000054554937 520218525 /nfs/dbraw/zinc/21/85/25/520218525.db2.gz YKPKFYMGFZVWIN-PMPSAXMXSA-N 1 1 254.462 3.377 10 0 CGAEMO CC1(C)C[N@@H+](C2CCCC2)[C@@H](c2ccccc2)CN1 ZINC000062626778 520462256 /nfs/dbraw/zinc/46/22/56/520462256.db2.gz ZJLJDPHTKGRDOD-MRXNPFEDSA-N 1 1 258.409 3.354 10 0 CGAEMO CCC[C@H](C)[N@@H+](C)Cc1nc(NC)ccc1Cl ZINC000061631309 521035408 /nfs/dbraw/zinc/03/54/08/521035408.db2.gz PONRCNJXOYUKJN-JTQLQIEISA-N 1 1 255.793 3.397 10 0 CGAEMO CCCCc1nc(Cl)c(C[NH2+]Cc2ccc(C)nc2)[nH]1 ZINC000088399241 521308351 /nfs/dbraw/zinc/30/83/51/521308351.db2.gz PEZDWKYMVZJGQA-UHFFFAOYSA-N 1 1 292.814 3.399 10 0 CGAEMO CC[N@@H+](Cc1nc2sccc2c(N)n1)C1CCCC1 ZINC000050813552 521455995 /nfs/dbraw/zinc/45/59/95/521455995.db2.gz YYGDDYUWIFKLQZ-UHFFFAOYSA-N 1 1 276.409 3.038 10 0 CGAEMO CCc1ccccc1CN[C@H](C)C[NH+]1CCCCC1 ZINC000052202717 521843903 /nfs/dbraw/zinc/84/39/03/521843903.db2.gz AZDSXDBLMCLQCU-OAHLLOKOSA-N 1 1 260.425 3.213 10 0 CGAEMO CCc1csc([C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000155954023 522116081 /nfs/dbraw/zinc/11/60/81/522116081.db2.gz VGCNSSWDSMAWML-LBPRGKRZSA-N 1 1 250.411 3.295 10 0 CGAEMO CN[C@H]1CCCCCC[C@H]1[NH+]1CCC(C)(C)CC1 ZINC000061819523 522491244 /nfs/dbraw/zinc/49/12/44/522491244.db2.gz DVLNRGQRTULJMM-LSDHHAIUSA-N 1 1 252.446 3.419 10 0 CGAEMO CC[C@@H](N)[C@@H](c1ccco1)[NH+]1CCC(C)(C)CC1 ZINC000061818426 522648885 /nfs/dbraw/zinc/64/88/85/522648885.db2.gz 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260.381 3.234 10 0 CGAEMO CC(C)(C)[N@H+]1CCOCC[C@@H]1c1ccc(F)cc1 ZINC000616656268 348858053 /nfs/dbraw/zinc/85/80/53/348858053.db2.gz RLFIJALMXJWMEN-CQSZACIVSA-N 1 1 251.345 3.388 10 0 CGAEMO CNc1ccccc1[C@H]1CCOCC[N@H+]1C(C)(C)C ZINC000616655625 348858086 /nfs/dbraw/zinc/85/80/86/348858086.db2.gz IMMFJYVXYPSFAD-OAHLLOKOSA-N 1 1 262.397 3.290 10 0 CGAEMO C[N@H+]1CCc2ccccc2[C@H]1c1cnnc2ccccc21 ZINC000616678791 348864807 /nfs/dbraw/zinc/86/48/07/348864807.db2.gz HKPCIMWQGQKSAH-SFHVURJKSA-N 1 1 275.355 3.207 10 0 CGAEMO CC[N@H+]1CCO[C@H](c2ccc3cccnc3c2)CC1 ZINC000616686427 348868001 /nfs/dbraw/zinc/86/80/01/348868001.db2.gz KEXMGJXEUPPJGJ-INIZCTEOSA-N 1 1 256.349 3.018 10 0 CGAEMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nnnn2C(C)C)c1C ZINC000122272206 187024200 /nfs/dbraw/zinc/02/42/00/187024200.db2.gz CKECWIZLSBTPRL-INIZCTEOSA-N 1 1 299.422 3.208 10 0 CGAEMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnnn2C(C)C)c1C ZINC000122272206 187024201 /nfs/dbraw/zinc/02/42/01/187024201.db2.gz CKECWIZLSBTPRL-INIZCTEOSA-N 1 1 299.422 3.208 10 0 CGAEMO Cc1cnn([C@@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)c1 ZINC000122984453 187063689 /nfs/dbraw/zinc/06/36/89/187063689.db2.gz KIBUUVAUQDVNPC-JKSUJKDBSA-N 1 1 259.397 3.185 10 0 CGAEMO OC[C@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000369029832 234353668 /nfs/dbraw/zinc/35/36/68/234353668.db2.gz YZBBLMDFQGLACL-NSHDSACASA-N 1 1 271.763 3.074 10 0 CGAEMO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cc(Br)no1 ZINC000292615438 198351851 /nfs/dbraw/zinc/35/18/51/198351851.db2.gz XKJGLBOYLMRHQY-DTWKUNHWSA-N 1 1 273.174 3.058 10 0 CGAEMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cc(Br)no1 ZINC000292615438 198351852 /nfs/dbraw/zinc/35/18/52/198351852.db2.gz XKJGLBOYLMRHQY-DTWKUNHWSA-N 1 1 273.174 3.058 10 0 CGAEMO Cc1cc(C)n2c(C[N@@H+]3CCC[C@@H]3c3ccco3)cnc2n1 ZINC000093335211 138344913 /nfs/dbraw/zinc/34/49/13/138344913.db2.gz YEUOWVOPQFPENM-OAHLLOKOSA-N 1 1 296.374 3.276 10 0 CGAEMO Cc1cc(C)n2c(C[N@H+]3CCC[C@@H]3c3ccco3)cnc2n1 ZINC000093335211 138344914 /nfs/dbraw/zinc/34/49/14/138344914.db2.gz YEUOWVOPQFPENM-OAHLLOKOSA-N 1 1 296.374 3.276 10 0 CGAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3nc4ccccc4o3)C2)c1 ZINC000105900350 138353015 /nfs/dbraw/zinc/35/30/15/138353015.db2.gz JIOQMUFWFGFXNN-AWEZNQCLSA-N 1 1 296.374 3.170 10 0 CGAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3nc4ccccc4o3)C2)c1 ZINC000105900350 138353016 /nfs/dbraw/zinc/35/30/16/138353016.db2.gz JIOQMUFWFGFXNN-AWEZNQCLSA-N 1 1 296.374 3.170 10 0 CGAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCOCCC(C)C ZINC000105922135 138353231 /nfs/dbraw/zinc/35/32/31/138353231.db2.gz BYHTXFUUGCNAQV-MRXNPFEDSA-N 1 1 293.455 3.237 10 0 CGAEMO Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116291600 138365914 /nfs/dbraw/zinc/36/59/14/138365914.db2.gz NDLLGRHRJDJUCN-OAHLLOKOSA-N 1 1 284.359 3.364 10 0 CGAEMO Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116291600 138365915 /nfs/dbraw/zinc/36/59/15/138365915.db2.gz NDLLGRHRJDJUCN-OAHLLOKOSA-N 1 1 284.359 3.364 10 0 CGAEMO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116288477 138365996 /nfs/dbraw/zinc/36/59/96/138365996.db2.gz HVSVNGPUZNUSAN-OAHLLOKOSA-N 1 1 284.359 3.364 10 0 CGAEMO Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116288477 138365997 /nfs/dbraw/zinc/36/59/97/138365997.db2.gz HVSVNGPUZNUSAN-OAHLLOKOSA-N 1 1 284.359 3.364 10 0 CGAEMO O=C(C[N@@H+]1CCC[C@H]1c1ccco1)NCC1CCCCC1 ZINC000116298826 138366050 /nfs/dbraw/zinc/36/60/50/138366050.db2.gz NTBCDKJQCRUONI-HNNXBMFYSA-N 1 1 290.407 3.113 10 0 CGAEMO O=C(C[N@H+]1CCC[C@H]1c1ccco1)NCC1CCCCC1 ZINC000116298826 138366051 /nfs/dbraw/zinc/36/60/51/138366051.db2.gz NTBCDKJQCRUONI-HNNXBMFYSA-N 1 1 290.407 3.113 10 0 CGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc(C)cc(C)c1 ZINC000177190277 189035341 /nfs/dbraw/zinc/03/53/41/189035341.db2.gz WCTDKBADDAEVMN-KRWDZBQOSA-N 1 1 297.402 3.113 10 0 CGAEMO CCn1cc(C2CC[NH+](Cc3ncc(C)s3)CC2)cn1 ZINC000180461171 189256424 /nfs/dbraw/zinc/25/64/24/189256424.db2.gz FKJBRSRCMMIVRG-UHFFFAOYSA-N 1 1 290.436 3.048 10 0 CGAEMO OCc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000182726049 189333241 /nfs/dbraw/zinc/33/32/41/189333241.db2.gz BLPIZZGPEVMYHB-HNNXBMFYSA-N 1 1 288.416 3.363 10 0 CGAEMO OCc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000182726049 189333242 /nfs/dbraw/zinc/33/32/42/189333242.db2.gz BLPIZZGPEVMYHB-HNNXBMFYSA-N 1 1 288.416 3.363 10 0 CGAEMO Cc1cccc2c(N(C)C[C@H]3CCC[N@H+](C)C3)ccnc12 ZINC000301681530 201136200 /nfs/dbraw/zinc/13/62/00/201136200.db2.gz SBFOYOANHDJLQG-HNNXBMFYSA-N 1 1 283.419 3.321 10 0 CGAEMO Cc1cccc2c(N(C)C[C@H]3CCC[N@@H+](C)C3)ccnc12 ZINC000301681530 201136204 /nfs/dbraw/zinc/13/62/04/201136204.db2.gz SBFOYOANHDJLQG-HNNXBMFYSA-N 1 1 283.419 3.321 10 0 CGAEMO CCc1cc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)nc(C)n1 ZINC000302094414 201339359 /nfs/dbraw/zinc/33/93/59/201339359.db2.gz NMAVQNLZZWZMIR-AWEZNQCLSA-N 1 1 298.434 3.280 10 0 CGAEMO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120543668 370778690 /nfs/dbraw/zinc/77/86/90/370778690.db2.gz DWEDVFUEIBKXCW-XUWVNRHRSA-N 1 1 288.435 3.434 10 0 CGAEMO CCc1ccc([C@@H]2CCCC[N@H+]2CCn2cccn2)o1 ZINC000124898379 370929523 /nfs/dbraw/zinc/92/95/23/370929523.db2.gz JSCYTIBPBYURSE-HNNXBMFYSA-N 1 1 273.380 3.266 10 0 CGAEMO COc1ccccc1C[NH2+][C@H]1CCCN[C@@H]1c1ccccc1 ZINC000022933032 368813702 /nfs/dbraw/zinc/81/37/02/368813702.db2.gz DTQNEFOKTXXQKV-PKOBYXMFSA-N 1 1 296.414 3.278 10 0 CGAEMO CNc1ccc(Cl)c(C[N@@H+](C)CC2CCC2)n1 ZINC000061639156 522620264 /nfs/dbraw/zinc/62/02/64/522620264.db2.gz VDOCLKQOASHPJC-UHFFFAOYSA-N 1 1 253.777 3.009 10 0 CGAEMO Cc1ccc2c(c1)[C@@H]([NH3+])C(=O)N2Cc1ccccc1Cl ZINC000037052033 369055570 /nfs/dbraw/zinc/05/55/70/369055570.db2.gz YDCQDUONHGSOOZ-OAHLLOKOSA-N 1 1 286.762 3.195 10 0 CGAEMO CC[N@H+]1CCC[C@H](NCc2c(F)cccc2Cl)C1 ZINC000040502351 369157915 /nfs/dbraw/zinc/15/79/15/369157915.db2.gz NMVMOSSUCXXSQY-NSHDSACASA-N 1 1 270.779 3.053 10 0 CGAEMO CCN1CCC[C@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000040502351 369157921 /nfs/dbraw/zinc/15/79/21/369157921.db2.gz NMVMOSSUCXXSQY-NSHDSACASA-N 1 1 270.779 3.053 10 0 CGAEMO CC[N@H+]1CCC[C@@H](Nc2ncnc3sc(C)c(C)c32)C1 ZINC000040503274 369159526 /nfs/dbraw/zinc/15/95/26/369159526.db2.gz CMHIALTYFFEVFG-GFCCVEGCSA-N 1 1 290.436 3.204 10 0 CGAEMO CC[N@H+]1CCC[C@H](Nc2ncc(Cl)cc2Cl)C1 ZINC000040503245 369159609 /nfs/dbraw/zinc/15/96/09/369159609.db2.gz AJNIMHVIMVIOOJ-JTQLQIEISA-N 1 1 274.195 3.285 10 0 CGAEMO CCCc1nc(CN(C)C[C@@H]2CCC[N@H+]2CC)cs1 ZINC000175333073 284122333 /nfs/dbraw/zinc/12/23/33/284122333.db2.gz KETNPCBRZUTEGX-AWEZNQCLSA-N 1 1 281.469 3.012 10 0 CGAEMO C([NH2+]CC1(N2CCCCC2)CCCCC1)C1CCOCC1 ZINC000052175541 369466255 /nfs/dbraw/zinc/46/62/55/369466255.db2.gz QZVMATRJDYMYJH-UHFFFAOYSA-N 1 1 294.483 3.191 10 0 CGAEMO CC(C)c1nc(C[N@H+]2CCC[C@@H]2CCCO)cs1 ZINC000052762535 369470352 /nfs/dbraw/zinc/47/03/52/369470352.db2.gz TZAQJJCCCDSSRQ-CYBMUJFWSA-N 1 1 268.426 3.003 10 0 CGAEMO OCCC[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)on1 ZINC000052761991 369470782 /nfs/dbraw/zinc/47/07/82/369470782.db2.gz ZNHWSFNESYFZHX-MRXNPFEDSA-N 1 1 286.375 3.079 10 0 CGAEMO OCCC[C@@H]1CCC[N@H+]1Cc1cc(-c2cccs2)on1 ZINC000052763038 369471903 /nfs/dbraw/zinc/47/19/03/369471903.db2.gz CLLRLLDXIAGJHH-ZDUSSCGKSA-N 1 1 292.404 3.140 10 0 CGAEMO Cc1cc(C)cc(OCCC[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052762829 369472070 /nfs/dbraw/zinc/47/20/70/369472070.db2.gz MBRIUWBYLFRVQC-QGZVFWFLSA-N 1 1 291.435 3.309 10 0 CGAEMO Cc1ccc(C(=O)CC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000053936492 369490661 /nfs/dbraw/zinc/49/06/61/369490661.db2.gz DCKHJSNLTFYKQS-FUHWJXTLSA-N 1 1 287.403 3.211 10 0 CGAEMO Cc1ccc(C(=O)CC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000053936492 369490664 /nfs/dbraw/zinc/49/06/64/369490664.db2.gz DCKHJSNLTFYKQS-FUHWJXTLSA-N 1 1 287.403 3.211 10 0 CGAEMO C[N@H+](Cc1cc(Br)no1)Cc1ccccc1 ZINC000276560546 193381218 /nfs/dbraw/zinc/38/12/18/193381218.db2.gz LTIKNGTWPIGEKF-UHFFFAOYSA-N 1 1 281.153 3.069 10 0 CGAEMO C[N@@H+](Cc1cc(Br)no1)Cc1ccccc1 ZINC000276560546 193381219 /nfs/dbraw/zinc/38/12/19/193381219.db2.gz LTIKNGTWPIGEKF-UHFFFAOYSA-N 1 1 281.153 3.069 10 0 CGAEMO Fc1ccc(/C=C/C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000092810900 370103751 /nfs/dbraw/zinc/10/37/51/370103751.db2.gz LYVMYHSIMCSGBV-OWOJBTEDSA-N 1 1 285.366 3.442 10 0 CGAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cncs2)C12CCCC2 ZINC000093610980 370148834 /nfs/dbraw/zinc/14/88/34/370148834.db2.gz OGAGAJLIDXNYKO-ZIAGYGMSSA-N 1 1 280.437 3.313 10 0 CGAEMO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116297369 370554728 /nfs/dbraw/zinc/55/47/28/370554728.db2.gz WOGHGAUNQSKETQ-LSDHHAIUSA-N 1 1 290.407 3.064 10 0 CGAEMO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116297243 370555850 /nfs/dbraw/zinc/55/58/50/370555850.db2.gz KBXIHLYVJMQEKB-DZGCQCFKSA-N 1 1 290.407 3.254 10 0 CGAEMO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116297243 370555854 /nfs/dbraw/zinc/55/58/54/370555854.db2.gz KBXIHLYVJMQEKB-DZGCQCFKSA-N 1 1 290.407 3.254 10 0 CGAEMO CC[C@@H](O)C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000131509365 371111916 /nfs/dbraw/zinc/11/19/16/371111916.db2.gz LCGHXJFNYCUWQY-QWHCGFSZSA-N 1 1 282.453 3.217 10 0 CGAEMO CCc1nnc(C[N@@H+]2CCC[C@H]2c2cc(C)ccc2C)n1C ZINC000133787497 371279137 /nfs/dbraw/zinc/27/91/37/371279137.db2.gz ZNTBSTGCVGFZKU-INIZCTEOSA-N 1 1 298.434 3.331 10 0 CGAEMO CCc1nnc(C[N@H+]2CCC[C@H]2c2cc(C)ccc2C)n1C ZINC000133787497 371279146 /nfs/dbraw/zinc/27/91/46/371279146.db2.gz ZNTBSTGCVGFZKU-INIZCTEOSA-N 1 1 298.434 3.331 10 0 CGAEMO CCc1nc(N[C@@H]2CCOc3ccccc32)cc(C)[nH+]1 ZINC000286997602 371587861 /nfs/dbraw/zinc/58/78/61/371587861.db2.gz OVVULXODUPBSHG-CYBMUJFWSA-N 1 1 269.348 3.283 10 0 CGAEMO CC1CCN(CC[N@@H+]2CCC[C@@H]2c2ccco2)CC1 ZINC000153953109 371804049 /nfs/dbraw/zinc/80/40/49/371804049.db2.gz QUQNWMPBBXHTOB-OAHLLOKOSA-N 1 1 262.397 3.148 10 0 CGAEMO CC1CCN(CC[N@H+]2CCC[C@@H]2c2ccco2)CC1 ZINC000153953109 371804055 /nfs/dbraw/zinc/80/40/55/371804055.db2.gz QUQNWMPBBXHTOB-OAHLLOKOSA-N 1 1 262.397 3.148 10 0 CGAEMO Cc1csc(C2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000162915157 372432829 /nfs/dbraw/zinc/43/28/29/372432829.db2.gz NQZTXJKQMKQXMF-HNNXBMFYSA-N 1 1 293.480 3.115 10 0 CGAEMO Cc1csc(C2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000162915157 372432833 /nfs/dbraw/zinc/43/28/33/372432833.db2.gz NQZTXJKQMKQXMF-HNNXBMFYSA-N 1 1 293.480 3.115 10 0 CGAEMO CCc1ccc([C@H](CC)[NH2+][C@H]2CCCn3ncnc32)cc1 ZINC000164710539 372530406 /nfs/dbraw/zinc/53/04/06/372530406.db2.gz NXFNMYHAGVHKKD-HOTGVXAUSA-N 1 1 284.407 3.416 10 0 CGAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccs1 ZINC000167764721 372602505 /nfs/dbraw/zinc/60/25/05/372602505.db2.gz NAIRAXIZCUOVRQ-QWRGUYRKSA-N 1 1 276.409 3.088 10 0 CGAEMO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CCCO1 ZINC000171091264 372710928 /nfs/dbraw/zinc/71/09/28/372710928.db2.gz IDUVGCKFOCIBGZ-HOTGVXAUSA-N 1 1 275.392 3.018 10 0 CGAEMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCS[C@@H](C)C1 ZINC000171698508 372812038 /nfs/dbraw/zinc/81/20/38/372812038.db2.gz HGEOYOBOCRYQRL-RYUDHWBXSA-N 1 1 289.404 3.235 10 0 CGAEMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCS[C@@H](C)C1 ZINC000171698508 372812046 /nfs/dbraw/zinc/81/20/46/372812046.db2.gz HGEOYOBOCRYQRL-RYUDHWBXSA-N 1 1 289.404 3.235 10 0 CGAEMO Cc1cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c(C)s1 ZINC000172056738 372893691 /nfs/dbraw/zinc/89/36/91/372893691.db2.gz NQMQYKYYAISVDB-ZDUSSCGKSA-N 1 1 275.421 3.088 10 0 CGAEMO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1CCc1cccnc1 ZINC000172160584 372916892 /nfs/dbraw/zinc/91/68/92/372916892.db2.gz DUJRZGPBIAHZDJ-GOSISDBHSA-N 1 1 296.414 3.476 10 0 CGAEMO C[C@H]1C[N@H+](Cc2ncc(-c3cccc(F)c3)o2)CCS1 ZINC000175179290 373424729 /nfs/dbraw/zinc/42/47/29/373424729.db2.gz CRRQGTYAONSHIG-NSHDSACASA-N 1 1 292.379 3.418 10 0 CGAEMO C[C@H]1C[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)CCS1 ZINC000175179290 373424735 /nfs/dbraw/zinc/42/47/35/373424735.db2.gz CRRQGTYAONSHIG-NSHDSACASA-N 1 1 292.379 3.418 10 0 CGAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(OC(F)F)cc1 ZINC000175339698 373453888 /nfs/dbraw/zinc/45/38/88/373453888.db2.gz JLBOYWDKEOCGBG-AWEZNQCLSA-N 1 1 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UPODHEOQPNQTEI-BZUAXINKSA-N 1 1 253.430 3.438 10 0 CGAEMO CCn1cnnc1[C@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000255330229 377751301 /nfs/dbraw/zinc/75/13/01/377751301.db2.gz FOLJWUBXFXAEBY-IVEQORNPSA-N 1 1 296.418 3.191 10 0 CGAEMO CCc1cc(N[C@H](CO)c2ccc(Cl)cc2)nc(C)[nH+]1 ZINC000272826941 378711421 /nfs/dbraw/zinc/71/14/21/378711421.db2.gz GGLMQLHCZUILCB-CQSZACIVSA-N 1 1 291.782 3.146 10 0 CGAEMO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000639942300 379659863 /nfs/dbraw/zinc/65/98/63/379659863.db2.gz YJHRFUOXFYUCRQ-ZWNOBZJWSA-N 1 1 294.445 3.217 10 0 CGAEMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000639942300 379659870 /nfs/dbraw/zinc/65/98/70/379659870.db2.gz YJHRFUOXFYUCRQ-ZWNOBZJWSA-N 1 1 294.445 3.217 10 0 CGAEMO C[C@@H]1C[C@H](O)CC[N@H+]1CCc1cc(Cl)cc(Cl)c1 ZINC000639939174 379661356 /nfs/dbraw/zinc/66/13/56/379661356.db2.gz XKHLVDIHHWTTLB-QMTHXVAHSA-N 1 1 288.218 3.381 10 0 CGAEMO C[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(Cl)s1 ZINC000400456517 379951186 /nfs/dbraw/zinc/95/11/86/379951186.db2.gz QBIYCFBLYQFGES-LPEHRKFASA-N 1 1 258.818 3.050 10 0 CGAEMO C[C@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000401593124 379958872 /nfs/dbraw/zinc/95/88/72/379958872.db2.gz SVOQCOJAPSKLRU-CABZTGNLSA-N 1 1 274.191 3.196 10 0 CGAEMO C[C@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000401593124 379958878 /nfs/dbraw/zinc/95/88/78/379958878.db2.gz SVOQCOJAPSKLRU-CABZTGNLSA-N 1 1 274.191 3.196 10 0 CGAEMO Clc1cccc(C[N@H+]2C[C@H]3CCCCC[C@H]32)n1 ZINC000363154968 382187887 /nfs/dbraw/zinc/18/78/87/382187887.db2.gz CJOUFERXWZRKCV-DGCLKSJQSA-N 1 1 250.773 3.500 10 0 CGAEMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc[nH]c2)c(OC)c1 ZINC000179751762 533204819 /nfs/dbraw/zinc/20/48/19/533204819.db2.gz OLHYOCXHPKAOOB-MRXNPFEDSA-N 1 1 286.375 3.369 10 0 CGAEMO O[C@@H]1C[C@H](c2cc(F)ccc2F)[N@@H+](CC2CCCC2)C1 ZINC000121266856 285334524 /nfs/dbraw/zinc/33/45/24/285334524.db2.gz AEASZRIXHGFNSU-CZUORRHYSA-N 1 1 281.346 3.263 10 0 CGAEMO O[C@H](C[N@H+]1CCS[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000246174365 285352859 /nfs/dbraw/zinc/35/28/59/285352859.db2.gz SIIHSIFPSPZPEX-ARFHVFGLSA-N 1 1 295.423 3.219 10 0 CGAEMO CCOC(=O)CCCC[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189775568 130021642 /nfs/dbraw/zinc/02/16/42/130021642.db2.gz SCBBKTMJNYJXAU-AWEZNQCLSA-N 1 1 296.436 3.322 10 0 CGAEMO O[C@H]1CCC[C@H](C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000385621132 542602601 /nfs/dbraw/zinc/60/26/01/542602601.db2.gz QGQFVGMLVYOULP-VGWMRTNUSA-N 1 1 251.414 3.192 10 0 CGAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000048770673 392014378 /nfs/dbraw/zinc/01/43/78/392014378.db2.gz ALTQURXYJCXIBU-NSHDSACASA-N 1 1 299.777 3.085 10 0 CGAEMO CC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1cccs1 ZINC000090223362 392228586 /nfs/dbraw/zinc/22/85/86/392228586.db2.gz QFVDRTUPBTYYOX-RYUDHWBXSA-N 1 1 276.409 3.224 10 0 CGAEMO CC(C)c1nnc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)n1C ZINC000114495518 392386726 /nfs/dbraw/zinc/38/67/26/392386726.db2.gz NUVXNGAFVYJVAM-KRWDZBQOSA-N 1 1 288.439 3.261 10 0 CGAEMO CC(C)c1nnc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)n1C ZINC000114495518 392386730 /nfs/dbraw/zinc/38/67/30/392386730.db2.gz NUVXNGAFVYJVAM-KRWDZBQOSA-N 1 1 288.439 3.261 10 0 CGAEMO CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116296481 392389777 /nfs/dbraw/zinc/38/97/77/392389777.db2.gz AEGXCOLPYSAYNC-UONOGXRCSA-N 1 1 278.396 3.111 10 0 CGAEMO CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116296481 392389781 /nfs/dbraw/zinc/38/97/81/392389781.db2.gz AEGXCOLPYSAYNC-UONOGXRCSA-N 1 1 278.396 3.111 10 0 CGAEMO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC000123289005 392426305 /nfs/dbraw/zinc/42/63/05/392426305.db2.gz XEWDYTWXSGQMRF-CQSZACIVSA-N 1 1 273.424 3.258 10 0 CGAEMO CC[N@H+]1CC[C@@H](Nc2cccc(-c3cnco3)c2)[C@H](C)C1 ZINC000153429275 392516382 /nfs/dbraw/zinc/51/63/82/392516382.db2.gz AJZZIPPCWDSQFN-CZUORRHYSA-N 1 1 285.391 3.484 10 0 CGAEMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cnc(Cl)s1 ZINC000371924025 392569242 /nfs/dbraw/zinc/56/92/42/392569242.db2.gz WXVFRZMLHURWGO-RYUDHWBXSA-N 1 1 299.871 3.245 10 0 CGAEMO Cc1ccc([C@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000158843848 392578154 /nfs/dbraw/zinc/57/81/54/392578154.db2.gz SDSAJXSTWQHQCC-MRXNPFEDSA-N 1 1 257.333 3.162 10 0 CGAEMO Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000158843848 392578158 /nfs/dbraw/zinc/57/81/58/392578158.db2.gz SDSAJXSTWQHQCC-MRXNPFEDSA-N 1 1 257.333 3.162 10 0 CGAEMO CC(C)(C)[C@H]1OCC[C@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000301893284 392600635 /nfs/dbraw/zinc/60/06/35/392600635.db2.gz SLAVNOXJAAVALB-FZMZJTMJSA-N 1 1 273.380 3.426 10 0 CGAEMO Cc1occc1CN[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000321096814 392672582 /nfs/dbraw/zinc/67/25/82/392672582.db2.gz RPHIJJBAUOPRNI-AWEZNQCLSA-N 1 1 272.392 3.198 10 0 CGAEMO Cc1occc1CN[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000321096814 392672593 /nfs/dbraw/zinc/67/25/93/392672593.db2.gz RPHIJJBAUOPRNI-AWEZNQCLSA-N 1 1 272.392 3.198 10 0 CGAEMO Cc1[nH]ncc1[C@H](C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000180272836 392708829 /nfs/dbraw/zinc/70/88/29/392708829.db2.gz LDOPGKDXNOIGTG-SJEJWMQYSA-N 1 1 259.397 3.193 10 0 CGAEMO C[C@@H]1CC[C@@H](C[N@H+]2C[C@H](c3ccccc3)OCC2(C)C)O1 ZINC000190508195 392815833 /nfs/dbraw/zinc/81/58/33/392815833.db2.gz DTIIOJBFRSBUGD-HYVNUMGLSA-N 1 1 289.419 3.406 10 0 CGAEMO CCCCOC[C@@H](O)C[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000195178359 392960582 /nfs/dbraw/zinc/96/05/82/392960582.db2.gz XXOFLEXCSHWRNB-WMZOPIPTSA-N 1 1 293.451 3.035 10 0 CGAEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCCCC(F)(F)F ZINC000252697349 393125753 /nfs/dbraw/zinc/12/57/53/393125753.db2.gz GULWFKGALQOFJI-STQMWFEESA-N 1 1 278.362 3.278 10 0 CGAEMO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCCCC(F)(F)F ZINC000252697349 393125758 /nfs/dbraw/zinc/12/57/58/393125758.db2.gz GULWFKGALQOFJI-STQMWFEESA-N 1 1 278.362 3.278 10 0 CGAEMO C[C@H]1CN2CCCC[C@H]2C[N@H+]1CCCCC(F)(F)F ZINC000252697349 393125760 /nfs/dbraw/zinc/12/57/60/393125760.db2.gz GULWFKGALQOFJI-STQMWFEESA-N 1 1 278.362 3.278 10 0 CGAEMO CC[N@@H+](CCOc1cncc(Cl)c1)CC(C)C ZINC000675076978 543313367 /nfs/dbraw/zinc/31/33/67/543313367.db2.gz VKULNNJXJGWVEY-UHFFFAOYSA-N 1 1 256.777 3.092 10 0 CGAEMO CC[C@H]1CC[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000080458946 287065870 /nfs/dbraw/zinc/06/58/70/287065870.db2.gz SSGRIRAZLSESDF-ZFWWWQNUSA-N 1 1 252.446 3.418 10 0 CGAEMO CCn1cc(C[N@@H+]2C[C@H](c3ccccc3)OCC2(C)C)cn1 ZINC000092973483 165322673 /nfs/dbraw/zinc/32/26/73/165322673.db2.gz XTQWDYHTUHJBKF-QGZVFWFLSA-N 1 1 299.418 3.255 10 0 CGAEMO CCn1cc(C[N@H+]2C[C@H](c3ccccc3)OCC2(C)C)cn1 ZINC000092973483 165322674 /nfs/dbraw/zinc/32/26/74/165322674.db2.gz XTQWDYHTUHJBKF-QGZVFWFLSA-N 1 1 299.418 3.255 10 0 CGAEMO CCCOc1ccc([C@H](CN)[N@@H+](C)CC(C)C)cc1 ZINC000020226553 171091204 /nfs/dbraw/zinc/09/12/04/171091204.db2.gz TWLRFYJVYKTCKY-INIZCTEOSA-N 1 1 264.413 3.063 10 0 CGAEMO CCCOc1ccc([C@H](C[NH3+])N(C)CC(C)C)cc1 ZINC000020226553 171091205 /nfs/dbraw/zinc/09/12/05/171091205.db2.gz TWLRFYJVYKTCKY-INIZCTEOSA-N 1 1 264.413 3.063 10 0 CGAEMO C[C@@H]1C[C@H](C)C[N@@H+](C2(CN)CCCCCCC2)C1 ZINC000021026886 171291164 /nfs/dbraw/zinc/29/11/64/171291164.db2.gz KDSLMOCBCDULJO-GASCZTMLSA-N 1 1 252.446 3.406 10 0 CGAEMO C[C@@H]1CCCC[N@H+]1CCCC(=O)Nc1ccc(F)cc1N ZINC000022155182 171361945 /nfs/dbraw/zinc/36/19/45/171361945.db2.gz HXSPOWWOKBDZME-GFCCVEGCSA-N 1 1 293.386 3.001 10 0 CGAEMO CC(C)[N@H+](C)[C@@H](CN)c1ccc(C(F)(F)F)cc1 ZINC000022178605 171371828 /nfs/dbraw/zinc/37/18/28/171371828.db2.gz VHLXLVGFNLMXCC-LBPRGKRZSA-N 1 1 260.303 3.045 10 0 CGAEMO CC(C)[N@@H+](C)[C@@H](CN)c1ccc(C(F)(F)F)cc1 ZINC000022178605 171371830 /nfs/dbraw/zinc/37/18/30/171371830.db2.gz VHLXLVGFNLMXCC-LBPRGKRZSA-N 1 1 260.303 3.045 10 0 CGAEMO COc1ccc([C@H](N)[C@@H](C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022563509 171391072 /nfs/dbraw/zinc/39/10/72/171391072.db2.gz SOFHGKGWRWJUEO-UMPJEAMMSA-N 1 1 276.424 3.061 10 0 CGAEMO COc1ccc(F)cc1[C@H]([NH3+])c1c(F)cccc1F ZINC000034957115 171902666 /nfs/dbraw/zinc/90/26/66/171902666.db2.gz HGBFTQBXZJSWFB-AWEZNQCLSA-N 1 1 267.250 3.161 10 0 CGAEMO C[C@H]1CCC[C@](CN)([N@H+](C)Cc2cccs2)C1 ZINC000035717233 172371628 /nfs/dbraw/zinc/37/16/28/172371628.db2.gz SAGZDFBLCVMTHE-JSGCOSHPSA-N 1 1 252.427 3.088 10 0 CGAEMO C[C@H]1CCC[C@](CN)([N@@H+](C)Cc2cccs2)C1 ZINC000035717233 172371630 /nfs/dbraw/zinc/37/16/30/172371630.db2.gz SAGZDFBLCVMTHE-JSGCOSHPSA-N 1 1 252.427 3.088 10 0 CGAEMO CCOc1ccc([C@H](CN)[N@@H+](C)C[C@@H](C)CC)cc1 ZINC000037172619 173006797 /nfs/dbraw/zinc/00/67/97/173006797.db2.gz MSDHPEFWXXPFGG-BBRMVZONSA-N 1 1 264.413 3.063 10 0 CGAEMO CCOc1ccc([C@H](C[NH3+])N(C)C[C@@H](C)CC)cc1 ZINC000037172619 173006798 /nfs/dbraw/zinc/00/67/98/173006798.db2.gz MSDHPEFWXXPFGG-BBRMVZONSA-N 1 1 264.413 3.063 10 0 CGAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)Nc2ccc(F)c(F)c2)C1 ZINC000037209779 173032150 /nfs/dbraw/zinc/03/21/50/173032150.db2.gz LBVZOJGHEIAPHO-VXGBXAGGSA-N 1 1 268.351 3.497 10 0 CGAEMO CCOc1ccc(C(=O)C[N@@H+](CC)CC(C)C)cc1 ZINC000037336261 173136352 /nfs/dbraw/zinc/13/63/52/173136352.db2.gz GXJJPSIGASSELY-UHFFFAOYSA-N 1 1 263.381 3.246 10 0 CGAEMO CC[N@H+]1CCC[C@H]1Cn1c2cccc(F)c2[nH]c1=S ZINC000037422261 173198686 /nfs/dbraw/zinc/19/86/86/173198686.db2.gz UXXTXMXYMGWUPW-JTQLQIEISA-N 1 1 279.384 3.322 10 0 CGAEMO CCC[C@@H]([NH3+])c1nc2ccc(Br)cc2[nH]1 ZINC000037441173 173211274 /nfs/dbraw/zinc/21/12/74/173211274.db2.gz OWFNDVMWKFJTQY-MRVPVSSYSA-N 1 1 268.158 3.125 10 0 CGAEMO [NH3+][C@@H](c1nc(-c2ccc(O)cc2)no1)C1CCCCC1 ZINC000038036970 174036483 /nfs/dbraw/zinc/03/64/83/174036483.db2.gz MEPGYAIKBXMBLM-CYBMUJFWSA-N 1 1 273.336 3.022 10 0 CGAEMO CCC[NH+](CCC)[C@H](CN)c1ccccc1OCC ZINC000038860230 174158423 /nfs/dbraw/zinc/15/84/23/174158423.db2.gz NAZCNJYRQGOGAP-OAHLLOKOSA-N 1 1 264.413 3.207 10 0 CGAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)c1cccs1 ZINC000042608975 174821548 /nfs/dbraw/zinc/82/15/48/174821548.db2.gz XFDPQGBCLZKYEW-NEPJUHHUSA-N 1 1 251.395 3.441 10 0 CGAEMO CC1(C)CC(NCc2ccc(O)c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000043477233 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/nfs/dbraw/zinc/58/51/61/170585161.db2.gz VEBPJTHQZBIXPY-UHFFFAOYSA-N 1 1 264.303 3.400 10 0 CGAEMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccncc2)C12CCCC2 ZINC000125639194 287248276 /nfs/dbraw/zinc/24/82/76/287248276.db2.gz SKWCDACPGVJLTP-CVEARBPZSA-N 1 1 274.408 3.251 10 0 CGAEMO CCc1csc([C@H]2CCC[N@@H+](CCCF)C2)n1 ZINC000125644479 287248353 /nfs/dbraw/zinc/24/83/53/287248353.db2.gz IWHDOWYSNDRUOS-NSHDSACASA-N 1 1 256.390 3.245 10 0 CGAEMO C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cccc(O)c1 ZINC000020129390 171017239 /nfs/dbraw/zinc/01/72/39/171017239.db2.gz FELQOOCCCKMUIG-KDOFPFPSSA-N 1 1 284.403 3.346 10 0 CGAEMO CC[C@@H](NC[C@@H](C(C)C)[NH+](C)C)c1ccc(O)cc1 ZINC000020145693 171031208 /nfs/dbraw/zinc/03/12/08/171031208.db2.gz FXLCWIZMSKIIGY-CVEARBPZSA-N 1 1 264.413 3.019 10 0 CGAEMO Cn1cc(CNc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)cn1 ZINC000020187720 171052443 /nfs/dbraw/zinc/05/24/43/171052443.db2.gz IRSLNSILFAILAO-UHFFFAOYSA-N 1 1 283.379 3.206 10 0 CGAEMO Cc1cc(C)c([C@@H]([NH3+])CN2CCCCCC2)c(C)c1 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CGAEMO Cc1ccc([C@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)o1 ZINC000037280841 173089277 /nfs/dbraw/zinc/08/92/77/173089277.db2.gz NIPOHYKUPDOSAY-LBPRGKRZSA-N 1 1 261.369 3.390 10 0 CGAEMO C[C@H](C1CC1)[N@H+](C)CC(=O)c1coc2ccccc12 ZINC000037338818 173140340 /nfs/dbraw/zinc/14/03/40/173140340.db2.gz KINVJAMJMPLKNT-LLVKDONJSA-N 1 1 257.333 3.346 10 0 CGAEMO C[C@H](C1CC1)[N@@H+](C)CC(=O)c1coc2ccccc12 ZINC000037338818 173140342 /nfs/dbraw/zinc/14/03/42/173140342.db2.gz KINVJAMJMPLKNT-LLVKDONJSA-N 1 1 257.333 3.346 10 0 CGAEMO CC(C)(C)[NH2+]CCc1nc2ccc(Br)cc2[nH]1 ZINC000037599876 173553276 /nfs/dbraw/zinc/55/32/76/173553276.db2.gz IQQQEACBHJNANN-UHFFFAOYSA-N 1 1 296.212 3.256 10 0 CGAEMO C[C@@H]1CCC[C@H](C)[N@H+]1[C@H](CN)c1ccccc1F ZINC000039789054 174173002 /nfs/dbraw/zinc/17/30/02/174173002.db2.gz PHJYKSUFIFYPKN-TYNCELHUSA-N 1 1 250.361 3.088 10 0 CGAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H](CN)c1ccccc1F ZINC000039789054 174173003 /nfs/dbraw/zinc/17/30/03/174173003.db2.gz PHJYKSUFIFYPKN-TYNCELHUSA-N 1 1 250.361 3.088 10 0 CGAEMO Cc1nc(C)c([C@@H](C)[NH2+]C2CCN(C(C)C)CC2)s1 ZINC000040517522 174307763 /nfs/dbraw/zinc/30/77/63/174307763.db2.gz LNXCHVZBTLLNMG-GFCCVEGCSA-N 1 1 281.469 3.283 10 0 CGAEMO CCOc1ccc([C@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000044120592 175142819 /nfs/dbraw/zinc/14/28/19/175142819.db2.gz VDIRLWNHZQNVEA-QGZVFWFLSA-N 1 1 277.408 3.383 10 0 CGAEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1cccc(Cl)c1)CC2 ZINC000128360169 287309314 /nfs/dbraw/zinc/30/93/14/287309314.db2.gz PWIPRCWWWFGIAM-ZBFHGGJFSA-N 1 1 279.811 3.467 10 0 CGAEMO C[C@H]([N@@H+](C)Cc1ccc(F)cc1C(N)=S)C(C)(C)C ZINC000071266146 176100203 /nfs/dbraw/zinc/10/02/03/176100203.db2.gz NDQUXOUAZFLYEZ-JTQLQIEISA-N 1 1 282.428 3.326 10 0 CGAEMO [NH3+]Cc1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 ZINC000071583180 176208168 /nfs/dbraw/zinc/20/81/68/176208168.db2.gz OXXLXRHHEASWCH-UHFFFAOYSA-N 1 1 257.724 3.342 10 0 CGAEMO CCCCOc1ccc(-c2nc(C[NH3+])oc2C)cc1 ZINC000071586480 176213352 /nfs/dbraw/zinc/21/33/52/176213352.db2.gz SIFWMBGWEIDROV-UHFFFAOYSA-N 1 1 260.337 3.288 10 0 CGAEMO CCc1ccc([C@H](C)CCC[NH+]2CCNCC2)cc1 ZINC000071587019 176214189 /nfs/dbraw/zinc/21/41/89/176214189.db2.gz DLCXWJMEAWIHHK-OAHLLOKOSA-N 1 1 260.425 3.038 10 0 CGAEMO CCn1cc(C[NH2+][C@@H](C)c2nc3ccccc3n2CC)cn1 ZINC000076892292 177126388 /nfs/dbraw/zinc/12/63/88/177126388.db2.gz QEDAJZKQMSLIKQ-ZDUSSCGKSA-N 1 1 297.406 3.123 10 0 CGAEMO Cc1c(Cl)cccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000192708414 270077664 /nfs/dbraw/zinc/07/76/64/270077664.db2.gz RMZUSEKMEFACRT-NHYWBVRUSA-N 1 1 294.826 3.107 10 0 CGAEMO CCc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000193636069 270079591 /nfs/dbraw/zinc/07/95/91/270079591.db2.gz HSCBWHCJMUJBQD-CYBMUJFWSA-N 1 1 286.375 3.440 10 0 CGAEMO Brc1sccc1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000529536034 270183073 /nfs/dbraw/zinc/18/30/73/270183073.db2.gz WXTAWXSBRXARRB-PSASIEDQSA-N 1 1 272.211 3.495 10 0 CGAEMO Brc1sccc1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000529536034 270183074 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/nfs/dbraw/zinc/19/58/90/560195890.db2.gz SEUNPTJHBYYPOX-IXDOHACOSA-N 1 1 287.403 3.049 10 0 in-vitro CGAEMO CCc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)s1 ZINC000246859602 617623276 /nfs/dbraw/zinc/62/32/76/617623276.db2.gz DBKROFOIAVWUSB-CHWSQXEVSA-N 1 1 292.448 3.009 10 0 CGAEMO Cc1csc([C@@H]2CCC[N@@H+](C/C=C\Cl)C2)n1 ZINC000255275933 618147849 /nfs/dbraw/zinc/14/78/49/618147849.db2.gz FMJMCJGCTXZTEO-USEMIUTHSA-N 1 1 256.802 3.383 10 0 CGAEMO Clc1cccc(C2CC([NH2+]Cc3c[nH]cn3)C2)c1 ZINC000088750509 618306312 /nfs/dbraw/zinc/30/63/12/618306312.db2.gz VPSHBXISLHIAAQ-UHFFFAOYSA-N 1 1 261.756 3.099 10 0 CGAEMO OCCC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1Cl ZINC000236499698 618859012 /nfs/dbraw/zinc/85/90/12/618859012.db2.gz MGSCEYLJCCWELI-LLVKDONJSA-N 1 1 289.206 3.125 10 0 CGAEMO OCCC[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1Cl ZINC000236499698 618859013 /nfs/dbraw/zinc/85/90/13/618859013.db2.gz MGSCEYLJCCWELI-LLVKDONJSA-N 1 1 289.206 3.125 10 0 CGAEMO C[NH2+][C@H](C)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000054053352 619252862 /nfs/dbraw/zinc/25/28/62/619252862.db2.gz VTLZOSIXMNASPJ-SSDOTTSWSA-N 1 1 286.162 3.248 10 0 CGAEMO Cc1cc2c(nc(N3CCCC3)[nH+]c2NCc2ccco2)[nH]1 ZINC000223920501 622866753 /nfs/dbraw/zinc/86/67/53/622866753.db2.gz DERGRINLQOFJOD-UHFFFAOYSA-N 1 1 297.362 3.072 10 0 CGAEMO Cc1cnc([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)cc2)o1 ZINC000230644176 623255889 /nfs/dbraw/zinc/25/58/89/623255889.db2.gz JFWCYPXENFKWIY-GXFFZTMASA-N 1 1 280.755 3.021 10 0 CGAEMO Cc1nn(C)c(C[NH2+][C@H]2CCc3ccccc32)c1Cl ZINC000089231894 623638255 /nfs/dbraw/zinc/63/82/55/623638255.db2.gz ISYIBEXWGMSYJR-ZDUSSCGKSA-N 1 1 275.783 3.159 10 0 CGAEMO Cc1cc(Cl)cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1O ZINC000180262484 624732521 /nfs/dbraw/zinc/73/25/21/624732521.db2.gz DFHKNYTUESHWPU-SWLSCSKDSA-N 1 1 294.826 3.023 10 0 CGAEMO Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000093757407 640781659 /nfs/dbraw/zinc/78/16/59/640781659.db2.gz GOHKUHKNLQIMGV-CYBMUJFWSA-N 1 1 294.395 3.077 10 0 CGAEMO C(=C\c1ccccc1)\C[NH+]1CC(c2ccccn2)C1 ZINC000096781197 640838425 /nfs/dbraw/zinc/83/84/25/640838425.db2.gz AUCIEEIHZBRBNH-TWGQIWQCSA-N 1 1 250.345 3.194 10 0 CGAEMO CCC[C@@H]([NH3+])c1nc(-c2cc(C)c3ccccc3n2)no1 ZINC000097815075 640875886 /nfs/dbraw/zinc/87/58/86/640875886.db2.gz CUYTYCAFCMZTOV-GFCCVEGCSA-N 1 1 282.347 3.393 10 0 CGAEMO COC(=O)CCC[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124688124 187148707 /nfs/dbraw/zinc/14/87/07/187148707.db2.gz DGTUMEZMQYJCMW-CYBMUJFWSA-N 1 1 265.353 3.068 10 0 CGAEMO O=C1CC[C@@H]2CCCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000096951680 185139776 /nfs/dbraw/zinc/13/97/76/185139776.db2.gz HUUFUPDJOPECFS-RDJZCZTQSA-N 1 1 257.377 3.410 10 0 CGAEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000295052998 199320320 /nfs/dbraw/zinc/32/03/20/199320320.db2.gz PPYAJGSEZRBRIP-MFKMUULPSA-N 1 1 294.445 3.217 10 0 CGAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000295052998 199320322 /nfs/dbraw/zinc/32/03/22/199320322.db2.gz PPYAJGSEZRBRIP-MFKMUULPSA-N 1 1 294.445 3.217 10 0 CGAEMO COc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000003602779 344858814 /nfs/dbraw/zinc/85/88/14/344858814.db2.gz SMJNKYXAZPPMTE-CQSZACIVSA-N 1 1 281.355 3.153 10 0 CGAEMO Cc1cc(C)cc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000188410259 542248123 /nfs/dbraw/zinc/24/81/23/542248123.db2.gz AQENNNPUVQXDHZ-QGZVFWFLSA-N 1 1 269.392 3.165 10 0 CGAEMO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114483898 232182778 /nfs/dbraw/zinc/18/27/78/232182778.db2.gz IJBRLYQEWOANGJ-MRXNPFEDSA-N 1 1 255.365 3.445 10 0 CGAEMO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000172052846 232270374 /nfs/dbraw/zinc/27/03/74/232270374.db2.gz VVKRTDFEZYCXJU-YPMHNXCESA-N 1 1 291.345 3.249 10 0 CGAEMO Cc1ccccc1-c1[nH+]cn(Cc2ccccc2)c1N ZINC000106442422 345930615 /nfs/dbraw/zinc/93/06/15/345930615.db2.gz NWQOHOFQQPKYGZ-UHFFFAOYSA-N 1 1 263.344 3.489 10 0 CGAEMO CCCCC[N@@H+](C)Cc1cc(C)cc(C(=O)OC)c1 ZINC000144359237 346117874 /nfs/dbraw/zinc/11/78/74/346117874.db2.gz TUDVXMOZEXWJJP-UHFFFAOYSA-N 1 1 263.381 3.404 10 0 CGAEMO C[C@H]1OCC[C@@H]1[N@@H+](C)Cc1ccc(Br)s1 ZINC000160688817 346171555 /nfs/dbraw/zinc/17/15/55/346171555.db2.gz OWVYCFHKUJRXBD-SCZZXKLOSA-N 1 1 290.226 3.120 10 0 CGAEMO CCCn1cc(C[NH2+][C@H](C)c2cc(F)ccc2F)cn1 ZINC000227282895 346309374 /nfs/dbraw/zinc/30/93/74/346309374.db2.gz OMYNHOWZNULGNY-LLVKDONJSA-N 1 1 279.334 3.422 10 0 CGAEMO C[C@@H]1C[NH2+][C@H](c2sccc2Br)S1 ZINC000228017116 346312691 /nfs/dbraw/zinc/31/26/91/346312691.db2.gz APYXEIQPVSUEGN-XRGYYRRGSA-N 1 1 264.213 3.234 10 0 CGAEMO CC1CC[NH+](Cc2coc(Br)c2)CC1 ZINC000307167992 346460417 /nfs/dbraw/zinc/46/04/17/346460417.db2.gz TUAAAKUELXAVNB-UHFFFAOYSA-N 1 1 258.159 3.274 10 0 CGAEMO C[C@@H]1CCC[C@@H]([C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000307329938 346461681 /nfs/dbraw/zinc/46/16/81/346461681.db2.gz XLFXCRYHMFTESQ-KBAYOESNSA-N 1 1 273.420 3.450 10 0 CGAEMO CN1C[C@@H]2C[N@H+](Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000409429039 346605440 /nfs/dbraw/zinc/60/54/40/346605440.db2.gz HMADQGVNEBTSJJ-AQNXPRMDSA-N 1 1 292.426 3.421 10 0 CGAEMO CN1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000409429039 346605441 /nfs/dbraw/zinc/60/54/41/346605441.db2.gz HMADQGVNEBTSJJ-AQNXPRMDSA-N 1 1 292.426 3.421 10 0 CGAEMO CCOC(=O)[C@@](CC)(c1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC000584634030 346700174 /nfs/dbraw/zinc/70/01/74/346700174.db2.gz ZBUPBGPGRJHQFB-WMZOPIPTSA-N 1 1 289.419 3.239 10 0 CGAEMO C[N@H+]1CC[C@@](O)(c2ccccc2)[C@]1(C)c1ccccc1 ZINC000584635308 346700267 /nfs/dbraw/zinc/70/02/67/346700267.db2.gz RZSWCQWVMNOBDB-ZWKOTPCHSA-N 1 1 267.372 3.125 10 0 CGAEMO C/C(=C/c1ccccc1)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128468201 187372450 /nfs/dbraw/zinc/37/24/50/187372450.db2.gz LLIOZVYIIUJDHR-XBNGYDHASA-N 1 1 281.403 3.313 10 0 CGAEMO CC(C)c1[nH+]c2cc(N)ccc2n1[C@H]1CCCOC1 ZINC000103958690 185868148 /nfs/dbraw/zinc/86/81/48/185868148.db2.gz VIEFQNJYMPFBBG-LBPRGKRZSA-N 1 1 259.353 3.093 10 0 CGAEMO CCOC(=O)c1ccccc1[C@H]1CCCC[N@H+]1CC ZINC000616614559 348846712 /nfs/dbraw/zinc/84/67/12/348846712.db2.gz VCBKSSFNFKGSJK-OAHLLOKOSA-N 1 1 261.365 3.410 10 0 CGAEMO CC(C)[N@H+]1CCC[C@H](c2ccc3ccnnc3c2)C1 ZINC000616618528 348847539 /nfs/dbraw/zinc/84/75/39/348847539.db2.gz YRTDOEISSDJQMP-HNNXBMFYSA-N 1 1 255.365 3.218 10 0 CGAEMO CC(C)N1CC[C@@H](c2ccc(N)[nH+]c2)c2ccccc21 ZINC000616585544 348836983 /nfs/dbraw/zinc/83/69/83/348836983.db2.gz GVBRULZHXWDNPV-AWEZNQCLSA-N 1 1 267.376 3.245 10 0 CGAEMO CC(C)N1CC[C@@H](c2cc[nH+]c(N)c2)c2ccccc21 ZINC000616587252 348837282 /nfs/dbraw/zinc/83/72/82/348837282.db2.gz PCUXCWWZYLBHJX-AWEZNQCLSA-N 1 1 267.376 3.245 10 0 CGAEMO CC(C)[N@H+]1CCO[C@H](c2cccc3cnccc32)CC1 ZINC000616594575 348839555 /nfs/dbraw/zinc/83/95/55/348839555.db2.gz RAGOHMFPPCONCC-KRWDZBQOSA-N 1 1 270.376 3.407 10 0 CGAEMO CC(C)[N@H+]1CCCOC[C@H]1c1cccc2cccnc21 ZINC000616597234 348840734 /nfs/dbraw/zinc/84/07/34/348840734.db2.gz OGYYPOLBKWHQGB-INIZCTEOSA-N 1 1 270.376 3.407 10 0 CGAEMO OCCc1ccccc1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000616612200 348845738 /nfs/dbraw/zinc/84/57/38/348845738.db2.gz WKAHEDVSJDLBAN-GOSISDBHSA-N 1 1 281.399 3.211 10 0 CGAEMO OCC[N@H+]1CCCCC[C@@H]1c1ccnc2ccccc21 ZINC000616624324 348849804 /nfs/dbraw/zinc/84/98/04/348849804.db2.gz MDBBSFHICHYKRQ-QGZVFWFLSA-N 1 1 270.376 3.144 10 0 CGAEMO OCC[N@H+]1CCCCC[C@@H]1c1ccc2ccccc2n1 ZINC000616624500 348850018 /nfs/dbraw/zinc/85/00/18/348850018.db2.gz PCXSTBOEWLYPHI-QGZVFWFLSA-N 1 1 270.376 3.144 10 0 CGAEMO CC[N@H+]1CCCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616628099 348851857 /nfs/dbraw/zinc/85/18/57/348851857.db2.gz JZZVSQWMNBTQAF-CYBMUJFWSA-N 1 1 270.417 3.023 10 0 CGAEMO CNc1cccc([C@H]2COCC[N@@H+]2Cc2ccccc2)c1 ZINC000616640582 348853317 /nfs/dbraw/zinc/85/33/17/348853317.db2.gz YDTGSUGOHLPKDR-GOSISDBHSA-N 1 1 282.387 3.302 10 0 CGAEMO CNc1cccc([C@H]2COCC[N@H+]2Cc2ccccc2)c1 ZINC000616640582 348853321 /nfs/dbraw/zinc/85/33/21/348853321.db2.gz YDTGSUGOHLPKDR-GOSISDBHSA-N 1 1 282.387 3.302 10 0 CGAEMO CC(C)[N@H+]1CCCOC[C@H]1c1cccc2cnccc21 ZINC000616644901 348854915 /nfs/dbraw/zinc/85/49/15/348854915.db2.gz JENAUPSFYDQWGT-KRWDZBQOSA-N 1 1 270.376 3.407 10 0 CGAEMO c1n[nH]cc1[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000616655383 348858090 /nfs/dbraw/zinc/85/80/90/348858090.db2.gz VMNAXPAKRASREI-OAHLLOKOSA-N 1 1 255.365 3.179 10 0 CGAEMO CC(C)(C)[N@H+]1CCOC[C@@H](c2cccc3ccncc32)C1 ZINC000616661498 348858807 /nfs/dbraw/zinc/85/88/07/348858807.db2.gz TVUWUGCQBLNAFQ-HNNXBMFYSA-N 1 1 284.403 3.449 10 0 CGAEMO CC(C)(C)[N@H+]1CCc2ccccc2[C@H]1c1ccno1 ZINC000616678846 348864857 /nfs/dbraw/zinc/86/48/57/348864857.db2.gz NHKNDFQCYUTORG-HNNXBMFYSA-N 1 1 256.349 3.421 10 0 CGAEMO OCC[N@H+]1CCc2ccccc2[C@@H]1c1cccc(Cl)c1 ZINC000616679258 348864987 /nfs/dbraw/zinc/86/49/87/348864987.db2.gz SCZFILAMBGSDGC-KRWDZBQOSA-N 1 1 287.790 3.280 10 0 CGAEMO CC(C)(C)[N@H+]1CCc2ccccc2[C@@H]1c1ccon1 ZINC000616679136 348865100 /nfs/dbraw/zinc/86/51/00/348865100.db2.gz QYJGOPOHJOZSHI-OAHLLOKOSA-N 1 1 256.349 3.421 10 0 CGAEMO CC(C)[N@H+]1CCO[C@H](c2cnc3ccccc3c2)CC1 ZINC000616687352 348868592 /nfs/dbraw/zinc/86/85/92/348868592.db2.gz WHRUBZXCKGBEQS-KRWDZBQOSA-N 1 1 270.376 3.407 10 0 CGAEMO CCC[NH2+]C[C@@H]1CCCN(CCc2cccs2)C1 ZINC000104449668 186005977 /nfs/dbraw/zinc/00/59/77/186005977.db2.gz XLJSQIUVSSQZIK-AWEZNQCLSA-N 1 1 266.454 3.002 10 0 CGAEMO [NH3+][C@@H]1CCCCCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000631834607 351149659 /nfs/dbraw/zinc/14/96/59/351149659.db2.gz BIYFRCJOFYBROT-QWHCGFSZSA-N 1 1 260.372 3.015 10 0 CGAEMO N[C@@H]1CCCCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000631834607 351149664 /nfs/dbraw/zinc/14/96/64/351149664.db2.gz BIYFRCJOFYBROT-QWHCGFSZSA-N 1 1 260.372 3.015 10 0 CGAEMO N[C@@H]1CCCCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000631834607 351149667 /nfs/dbraw/zinc/14/96/67/351149667.db2.gz BIYFRCJOFYBROT-QWHCGFSZSA-N 1 1 260.372 3.015 10 0 CGAEMO CC(C)[C@H]1CCC[N@@H+]1Cc1cc(Br)no1 ZINC000292188527 198195333 /nfs/dbraw/zinc/19/53/33/198195333.db2.gz NSDAASKKRKXHDO-SNVBAGLBSA-N 1 1 273.174 3.058 10 0 CGAEMO CC(C)[C@H]1CCC[N@H+]1Cc1cc(Br)no1 ZINC000292188527 198195334 /nfs/dbraw/zinc/19/53/34/198195334.db2.gz NSDAASKKRKXHDO-SNVBAGLBSA-N 1 1 273.174 3.058 10 0 CGAEMO C[N@H+]1CC[C@@H](NC(=O)CCC2CCC2)[C@H]1c1ccccc1 ZINC000252801460 283047514 /nfs/dbraw/zinc/04/75/14/283047514.db2.gz JORLBOVDIPPYHQ-SJLPKXTDSA-N 1 1 286.419 3.128 10 0 CGAEMO COc1ccccc1CC[N@H+](C)Cc1nccn1C(C)C ZINC000104711385 138350596 /nfs/dbraw/zinc/35/05/96/138350596.db2.gz WFGMMDGMVXNJJA-UHFFFAOYSA-N 1 1 287.407 3.147 10 0 CGAEMO COc1ccccc1CC[N@@H+](C)Cc1nccn1C(C)C ZINC000104711385 138350597 /nfs/dbraw/zinc/35/05/97/138350597.db2.gz WFGMMDGMVXNJJA-UHFFFAOYSA-N 1 1 287.407 3.147 10 0 CGAEMO CCc1ccc([C@@H]2CCCC[N@H+]2CCCC(=O)OC)o1 ZINC000124863399 138378609 /nfs/dbraw/zinc/37/86/09/138378609.db2.gz LRBXWEHWTAYVSR-AWEZNQCLSA-N 1 1 279.380 3.322 10 0 CGAEMO Cn1cc([C@H]2CC[N@@H+](Cc3coc4ccccc34)C2)cn1 ZINC000128397742 138393192 /nfs/dbraw/zinc/39/31/92/138393192.db2.gz FEYYBPGDWWDVJS-ZDUSSCGKSA-N 1 1 281.359 3.156 10 0 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/nfs/dbraw/zinc/79/76/84/174797684.db2.gz VMTKZOFFZUQDJI-LLVKDONJSA-N 1 1 270.804 3.169 10 0 CGAEMO CC[N@@H+](CCC(N)=S)Cc1ccc(C(F)(F)F)cc1 ZINC000043512029 175060349 /nfs/dbraw/zinc/06/03/49/175060349.db2.gz VKJBEFOYDMKKJF-UHFFFAOYSA-N 1 1 290.354 3.204 10 0 CGAEMO CC[N@@H+](Cc1ccc(Br)s1)[C@H](C)COC ZINC000043678412 175088919 /nfs/dbraw/zinc/08/89/19/175088919.db2.gz CMTFPXDWVKYNJF-SECBINFHSA-N 1 1 292.242 3.367 10 0 CGAEMO COc1ccccc1Oc1cncc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072361541 176377759 /nfs/dbraw/zinc/37/77/59/176377759.db2.gz KOGOWONTGOIQBR-ZDUSSCGKSA-N 1 1 299.374 3.087 10 0 CGAEMO O[C@H]1CCC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000309798594 416529539 /nfs/dbraw/zinc/52/95/39/416529539.db2.gz REMGLNJFVLVRAB-WBVHZDCISA-N 1 1 259.393 3.202 10 0 CGAEMO CC[N@H+](Cc1ccc(C)cc1)C[C@@H]1CCC[C@@H](O)C1 ZINC000659856684 419014540 /nfs/dbraw/zinc/01/45/40/419014540.db2.gz GOVKMCKVBCNBPH-IAGOWNOFSA-N 1 1 261.409 3.368 10 0 CGAEMO CCc1nnc(C[N@H+](Cc2ccccc2)[C@H](C)CC)n1C ZINC000195430289 270084604 /nfs/dbraw/zinc/08/46/04/270084604.db2.gz ACLKGKZGYKGUJW-CQSZACIVSA-N 1 1 286.423 3.178 10 0 CGAEMO CCc1nnc(C[N@@H+](Cc2ccccc2)[C@H](C)CC)n1C ZINC000195430289 270084605 /nfs/dbraw/zinc/08/46/05/270084605.db2.gz ACLKGKZGYKGUJW-CQSZACIVSA-N 1 1 286.423 3.178 10 0 CGAEMO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000093438224 275075181 /nfs/dbraw/zinc/07/51/81/275075181.db2.gz ZIDINBCOIGKYNM-KRWDZBQOSA-N 1 1 295.386 3.413 10 0 CGAEMO CC[N@@H+](CC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1)C1CC1 ZINC000246288519 276081792 /nfs/dbraw/zinc/08/17/92/276081792.db2.gz OPNMBTUKBSJYRZ-HIFRSBDPSA-N 1 1 290.407 3.064 10 0 CGAEMO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccnc3ccccc32)C1 ZINC000248663263 277156194 /nfs/dbraw/zinc/15/61/94/277156194.db2.gz JSBHADACAAQLIV-WMLDXEAASA-N 1 1 281.403 3.155 10 0 CGAEMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccnc3ccccc32)C1 ZINC000248663263 277156198 /nfs/dbraw/zinc/15/61/98/277156198.db2.gz JSBHADACAAQLIV-WMLDXEAASA-N 1 1 281.403 3.155 10 0 CGAEMO CC(C)(C)OC1CC([N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)C1 ZINC000336275461 277209716 /nfs/dbraw/zinc/20/97/16/277209716.db2.gz OQEOFCPGCHWSJF-YZVRNYIASA-N 1 1 273.367 3.310 10 0 CGAEMO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCn3ncnc32)c2ccccc21 ZINC000164758126 277781517 /nfs/dbraw/zinc/78/15/17/277781517.db2.gz IZNVKEJXKBJXSL-DAXOMENPSA-N 1 1 282.391 3.341 10 0 CGAEMO CC(C)c1nnc(C[N@H+]2CCC[C@@H]2C2CCCC2)n1C ZINC000195101514 278098720 /nfs/dbraw/zinc/09/87/20/278098720.db2.gz NAGDGRWKKRERQQ-CQSZACIVSA-N 1 1 276.428 3.093 10 0 CGAEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1cccc2ccccc21 ZINC000399216984 288050081 /nfs/dbraw/zinc/05/00/81/288050081.db2.gz ULDQOVGDSUVFNZ-BBRMVZONSA-N 1 1 255.361 3.185 10 0 CGAEMO Cc1cc(C)c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C)c1 ZINC000119342789 280384362 /nfs/dbraw/zinc/38/43/62/280384362.db2.gz XBCFRTLRKYUGNZ-HOTGVXAUSA-N 1 1 288.435 3.070 10 0 CGAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1 ZINC000131128669 280942187 /nfs/dbraw/zinc/94/21/87/280942187.db2.gz AXBPONYKGDQGOW-ZIAGYGMSSA-N 1 1 284.407 3.335 10 0 CGAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(C)ccc1C ZINC000247025063 281198448 /nfs/dbraw/zinc/19/84/48/281198448.db2.gz SWDBGEZOUZETCG-HOTGVXAUSA-N 1 1 286.419 3.002 10 0 CGAEMO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccccn1 ZINC000082502990 281284036 /nfs/dbraw/zinc/28/40/36/281284036.db2.gz FIXMGWYKJXKCEN-HNNXBMFYSA-N 1 1 254.333 3.003 10 0 CGAEMO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccc2c1OCO2 ZINC000188950608 281284047 /nfs/dbraw/zinc/28/40/47/281284047.db2.gz PUEUTPABTTZOEJ-HNNXBMFYSA-N 1 1 297.354 3.337 10 0 CGAEMO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2nnc(C(C)C)n2C)C1 ZINC000174343196 335153115 /nfs/dbraw/zinc/15/31/15/335153115.db2.gz QAWSCLYNKGBNNI-CHWSQXEVSA-N 1 1 296.484 3.045 10 0 CGAEMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2nnc(C(C)C)n2C)C1 ZINC000174343196 335153116 /nfs/dbraw/zinc/15/31/16/335153116.db2.gz QAWSCLYNKGBNNI-CHWSQXEVSA-N 1 1 296.484 3.045 10 0 CGAEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000384865802 336133343 /nfs/dbraw/zinc/13/33/43/336133343.db2.gz FGIOZCGSVVWPEV-SKDRFNHKSA-N 1 1 274.191 3.339 10 0 CGAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000384865802 336133344 /nfs/dbraw/zinc/13/33/44/336133344.db2.gz FGIOZCGSVVWPEV-SKDRFNHKSA-N 1 1 274.191 3.339 10 0 CGAEMO CC(C)[C@@H]1CCC[C@H]([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)C1 ZINC000385481723 336148710 /nfs/dbraw/zinc/14/87/10/336148710.db2.gz GFCJWORWYLSXGJ-LVQVYYBASA-N 1 1 252.446 3.118 10 0 CGAEMO CC(C)[C@@H]1CCC[C@H]([N@H+]2C[C@@H](C)[C@](C)(CN)C2)C1 ZINC000385481723 336148711 /nfs/dbraw/zinc/14/87/11/336148711.db2.gz GFCJWORWYLSXGJ-LVQVYYBASA-N 1 1 252.446 3.118 10 0 CGAEMO CC(C)C[C@@H]1C[N@H+]([C@H]2CCC[C@@H](C)C2)CCCN1 ZINC000062624670 519271793 /nfs/dbraw/zinc/27/17/93/519271793.db2.gz XYPJHJJRIQFTSJ-OAGGEKHMSA-N 1 1 252.446 3.275 10 0 CGAEMO CC(C)[C@H](C)[N@H+](C)[C@@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062710045 519811858 /nfs/dbraw/zinc/81/18/58/519811858.db2.gz QNYTWCFYFNRETF-ZANVPECISA-N 1 1 274.330 3.080 10 0 CGAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062710045 519811859 /nfs/dbraw/zinc/81/18/59/519811859.db2.gz QNYTWCFYFNRETF-ZANVPECISA-N 1 1 274.330 3.080 10 0 CGAEMO C[NH2+]CC1(CN(C)Cc2ccc(C)cc2)CCCC1 ZINC000051214067 521965838 /nfs/dbraw/zinc/96/58/38/521965838.db2.gz BSGWTTPMLBXROD-UHFFFAOYSA-N 1 1 260.425 3.207 10 0 CGAEMO CC(C)(C)c1csc([C@@H]2C[N@H+](CC3CC3)CCO2)n1 ZINC000155940387 519087360 /nfs/dbraw/zinc/08/73/60/519087360.db2.gz RUTFVEBRBOJAMT-LBPRGKRZSA-N 1 1 280.437 3.224 10 0 CGAEMO CC(C)(C)c1csc([C@@H]2C[N@@H+](CC3CC3)CCO2)n1 ZINC000155940387 519087369 /nfs/dbraw/zinc/08/73/69/519087369.db2.gz RUTFVEBRBOJAMT-LBPRGKRZSA-N 1 1 280.437 3.224 10 0 CGAEMO CC(C)(C)c1[nH+]c2cc(N)ccc2n1Cc1cccnc1 ZINC000052852124 519106324 /nfs/dbraw/zinc/10/63/24/519106324.db2.gz MUVZSXDNSXBRDG-UHFFFAOYSA-N 1 1 280.375 3.359 10 0 CGAEMO CC(C)C[C@@H]1CNC(C)(C)C[N@@H+]1CCOc1ccccc1 ZINC000062706816 519272270 /nfs/dbraw/zinc/27/22/70/519272270.db2.gz RNNQMYLLWHUAQT-MRXNPFEDSA-N 1 1 290.451 3.164 10 0 CGAEMO CC(C)C[C@@H]1CNC(C)(C)C[N@H+]1CCOc1ccccc1 ZINC000062706816 519272274 /nfs/dbraw/zinc/27/22/74/519272274.db2.gz RNNQMYLLWHUAQT-MRXNPFEDSA-N 1 1 290.451 3.164 10 0 CGAEMO O[C@H](CC[N@H+]1CCC[C@H]1c1nccs1)c1ccccc1 ZINC000367544064 534423471 /nfs/dbraw/zinc/42/34/71/534423471.db2.gz IJYZAGMOHHKRNR-LSDHHAIUSA-N 1 1 288.416 3.404 10 0 CGAEMO CC[NH2+]Cc1ccccc1CN(C)Cc1ccsc1 ZINC000052457437 520006421 /nfs/dbraw/zinc/00/64/21/520006421.db2.gz MFTVUIIAPTUSBU-UHFFFAOYSA-N 1 1 274.433 3.490 10 0 CGAEMO CCCCC[N@H+]1CC(C)(C)NC[C@@H]1Cc1ccccc1 ZINC000062668230 520179772 /nfs/dbraw/zinc/17/97/72/520179772.db2.gz QNZNAMWNDRPPAD-KRWDZBQOSA-N 1 1 274.452 3.472 10 0 CGAEMO CCCCCN1CC(C)(C)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000062668230 520179777 /nfs/dbraw/zinc/17/97/77/520179777.db2.gz QNZNAMWNDRPPAD-KRWDZBQOSA-N 1 1 274.452 3.472 10 0 CGAEMO C[NH2+]Cc1cccc(CN2CCc3sccc3C2)c1 ZINC000052382933 522128108 /nfs/dbraw/zinc/12/81/08/522128108.db2.gz LRSYOSHGDOMOGG-UHFFFAOYSA-N 1 1 272.417 3.026 10 0 CGAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc(C)c1 ZINC000088559629 522519145 /nfs/dbraw/zinc/51/91/45/522519145.db2.gz MMEDEOMCAJDVJW-UKRRQHHQSA-N 1 1 284.407 3.335 10 0 CGAEMO C[N@H+]1CCCC[C@H]1CNc1cccc2c1CCCC2 ZINC000054239639 523800926 /nfs/dbraw/zinc/80/09/26/523800926.db2.gz VWSWIBDHGADYQU-HNNXBMFYSA-N 1 1 258.409 3.462 10 0 CGAEMO Cc1nccc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000038037552 534752803 /nfs/dbraw/zinc/75/28/03/534752803.db2.gz OGFSLYJEOQMDIP-SECBINFHSA-N 1 1 279.746 3.428 10 0 CGAEMO C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000151539874 524282910 /nfs/dbraw/zinc/28/29/10/524282910.db2.gz KXIWKKRPEHGYFS-PMPSAXMXSA-N 1 1 275.440 3.426 10 0 CGAEMO COc1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000061566347 524705781 /nfs/dbraw/zinc/70/57/81/524705781.db2.gz GHSJMMBDHRVXCY-WOSRLPQWSA-N 1 1 262.397 3.144 10 0 CGAEMO C[C@@H](C[NH2+]C(C)(C)C)CN(C)Cc1ccc(F)cc1 ZINC000052346142 524732987 /nfs/dbraw/zinc/73/29/87/524732987.db2.gz DNXGITSYPLDRRZ-ZDUSSCGKSA-N 1 1 266.404 3.282 10 0 CGAEMO c1ccc(C[N@H+]2CCCN[C@@H](c3ccccc3)C2)cc1 ZINC000062662907 526468697 /nfs/dbraw/zinc/46/86/97/526468697.db2.gz AQAHHBHCOUSOQA-GOSISDBHSA-N 1 1 266.388 3.223 10 0 CGAEMO c1ccc(CN2CCC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000062662907 526468702 /nfs/dbraw/zinc/46/87/02/526468702.db2.gz AQAHHBHCOUSOQA-GOSISDBHSA-N 1 1 266.388 3.223 10 0 CGAEMO CC(C)Oc1cccc([C@H](C)N[C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400555264 528243005 /nfs/dbraw/zinc/24/30/05/528243005.db2.gz ZAJBDPXXTBIYFL-DZKIICNBSA-N 1 1 276.424 3.122 10 0 CGAEMO CCn1nccc1C[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000127572448 535869418 /nfs/dbraw/zinc/86/94/18/535869418.db2.gz JXQSVOROALNREE-ZDUSSCGKSA-N 1 1 290.436 3.048 10 0 CGAEMO CCc1ccc(NC(=O)[C@H]2CCc3[nH]c(C)nc3C2)cc1 ZINC000220590349 572427749 /nfs/dbraw/zinc/42/77/49/572427749.db2.gz CMFVINMRPMWCGU-ZDUSSCGKSA-N 1 1 283.375 3.024 10 0 CGAEMO C[N@@H+](C[C@H](O)c1ccc2ccccc2c1)CC1CC1 ZINC000042248096 620712384 /nfs/dbraw/zinc/71/23/84/620712384.db2.gz NSYIGYGULBHUHD-KRWDZBQOSA-N 1 1 255.361 3.215 10 0 CGAEMO [NH3+][C@@H](c1ccccc1)c1cc(Br)c(O)cc1F ZINC000757146166 617804542 /nfs/dbraw/zinc/80/45/42/617804542.db2.gz RMPHDJLPSHSFPS-ZDUSSCGKSA-N 1 1 296.139 3.342 10 0 CGAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)NC2CCCCCCC2)o1 ZINC000193636204 640480567 /nfs/dbraw/zinc/48/05/67/640480567.db2.gz QGEIHHBHJTUVIC-AWEZNQCLSA-N 1 1 292.423 3.468 10 0 CGAEMO CCC[C@@H]([NH3+])c1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000088713776 640622085 /nfs/dbraw/zinc/62/20/85/640622085.db2.gz CGHWWBSMSNJKPQ-LLVKDONJSA-N 1 1 299.296 3.479 10 0 CGAEMO CC[C@@H](NC(=O)c1csc([C@H](C)[NH3+])n1)c1ccccc1 ZINC000090953684 640696217 /nfs/dbraw/zinc/69/62/17/640696217.db2.gz YBMLIPZMPQOXAX-CMPLNLGQSA-N 1 1 289.404 3.044 10 0 CGAEMO Cc1cc2ncn(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)c2cc1C ZINC000249711016 640805718 /nfs/dbraw/zinc/80/57/18/640805718.db2.gz VTJZJSWFUBITTG-SJLPKXTDSA-N 1 1 299.418 3.254 10 0 CGAEMO CC[C@H]1CN(C/C(C)=C\c2ccco2)CC[N@H+]1C(C)C 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C[C@H](c1ccccc1Cl)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000381186313 346557932 /nfs/dbraw/zinc/55/79/32/346557932.db2.gz MMAPDMMNWLOXEP-LALPHHSUSA-N 1 1 266.816 3.318 10 0 CGAEMO F[C@]1(c2ccncc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000409432165 346606045 /nfs/dbraw/zinc/60/60/45/346606045.db2.gz UQDIYQKDCZJVNB-MRXNPFEDSA-N 1 1 256.324 3.152 10 0 CGAEMO CCOC(=O)[C@@]1(c2ccccc2)CC[N@H+]2CCCC[C@H]2C1 ZINC000584625893 346697412 /nfs/dbraw/zinc/69/74/12/346697412.db2.gz YXTCVEPSHDUTMJ-WMZOPIPTSA-N 1 1 287.403 3.136 10 0 CGAEMO C/C(=C/c1ccccc1)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000128467962 187372595 /nfs/dbraw/zinc/37/25/95/187372595.db2.gz LLIOZVYIIUJDHR-MJSCBBHESA-N 1 1 281.403 3.313 10 0 CGAEMO CC(C)[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000616613971 348846571 /nfs/dbraw/zinc/84/65/71/348846571.db2.gz GDDDIUSUXMGNHD-CYBMUJFWSA-N 1 1 270.417 3.164 10 0 CGAEMO CCOC(=O)c1cccc([C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000616613529 348846645 /nfs/dbraw/zinc/84/66/45/348846645.db2.gz LHTPUNIPVPDKGJ-HNNXBMFYSA-N 1 1 261.365 3.061 10 0 CGAEMO CCOC(=O)c1ccc([C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000616614816 348846663 /nfs/dbraw/zinc/84/66/63/348846663.db2.gz VZMALUVEPRUGJV-OAHLLOKOSA-N 1 1 261.365 3.061 10 0 CGAEMO CC(=O)Nc1ccc([C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000616617698 348847439 /nfs/dbraw/zinc/84/74/39/348847439.db2.gz FCSOJGBSKSDIJP-HNNXBMFYSA-N 1 1 260.381 3.233 10 0 CGAEMO CC[N@H+]1CCO[C@H](c2nccc3ccccc32)CC1 ZINC000616594526 348839578 /nfs/dbraw/zinc/83/95/78/348839578.db2.gz QKOMWKYOLVDUHB-HNNXBMFYSA-N 1 1 256.349 3.018 10 0 CGAEMO CC(=O)Nc1ccccc1[C@@H]1CC[N@H+](C(C)(C)C)CCO1 ZINC000616594050 348839637 /nfs/dbraw/zinc/83/96/37/348839637.db2.gz MYLFHROWXCLGST-INIZCTEOSA-N 1 1 290.407 3.207 10 0 CGAEMO CNc1ccc([C@@H]2CCOCC[N@H+]2C(C)(C)C)cc1 ZINC000616598189 348840533 /nfs/dbraw/zinc/84/05/33/348840533.db2.gz MHEQOTHBWILRIS-HNNXBMFYSA-N 1 1 262.397 3.290 10 0 CGAEMO CC(C)[N@H+]1CCCOC[C@@H]1c1ccc2ccccc2n1 ZINC000616599408 348841473 /nfs/dbraw/zinc/84/14/73/348841473.db2.gz KGPCOZRPCCTVTR-QGZVFWFLSA-N 1 1 270.376 3.407 10 0 CGAEMO CC(C)[N@H+]1CCOC[C@@H](c2ccnc3ccccc32)C1 ZINC000616599480 348841498 /nfs/dbraw/zinc/84/14/98/348841498.db2.gz YWXIUPCURDNCRD-AWEZNQCLSA-N 1 1 270.376 3.059 10 0 CGAEMO Nc1cccc([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000616600507 348841699 /nfs/dbraw/zinc/84/16/99/348841699.db2.gz BNYNOYQIQWEHKN-INIZCTEOSA-N 1 1 281.403 3.434 10 0 CGAEMO CC(C)(C)[N@H+]1CCOCC[C@@H]1c1cc2ccccc2nn1 ZINC000616599725 348841720 /nfs/dbraw/zinc/84/17/20/348841720.db2.gz VJHHHEXTAUTYQS-MRXNPFEDSA-N 1 1 285.391 3.192 10 0 CGAEMO CC(C)(C)[N@H+]1CCOC[C@@H]1c1cncc2ccccc21 ZINC000616600891 348842284 /nfs/dbraw/zinc/84/22/84/348842284.db2.gz JTBWZUGPHDACIW-MRXNPFEDSA-N 1 1 270.376 3.407 10 0 CGAEMO CC(C)(C)[N@H+]1CCCC[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616604943 348843130 /nfs/dbraw/zinc/84/31/30/348843130.db2.gz VEDLWEFOQHYCRR-HNNXBMFYSA-N 1 1 274.408 3.154 10 0 CGAEMO CC(C)(C)[N@H+]1CCO[C@@H](c2cccc3ccncc32)C1 ZINC000616603345 348843271 /nfs/dbraw/zinc/84/32/71/348843271.db2.gz MECYKQRLMSEISG-MRXNPFEDSA-N 1 1 270.376 3.407 10 0 CGAEMO CC(=O)Nc1ccccc1[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000616610221 348844510 /nfs/dbraw/zinc/84/45/10/348844510.db2.gz FWDAXYPSDIFQDZ-CQSZACIVSA-N 1 1 260.381 3.233 10 0 CGAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H]1C(C)(C)C ZINC000616611021 348845047 /nfs/dbraw/zinc/84/50/47/348845047.db2.gz QSGROKIMRJNCBH-ZDUSSCGKSA-N 1 1 284.444 3.412 10 0 CGAEMO CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)CC1 ZINC000616612590 348845753 /nfs/dbraw/zinc/84/57/53/348845753.db2.gz WQYUCTIOOTYRNF-CYBMUJFWSA-N 1 1 270.417 3.116 10 0 CGAEMO c1cc([C@H]2CCC[N@H+](Cc3ccccc3)CC2)no1 ZINC000616629116 348851987 /nfs/dbraw/zinc/85/19/87/348851987.db2.gz LLHQNBANKHFKPA-HNNXBMFYSA-N 1 1 256.349 3.444 10 0 CGAEMO c1ccc(C[N@H+]2CCCC[C@H](c3cccnn3)C2)cc1 ZINC000616630414 348852391 /nfs/dbraw/zinc/85/23/91/348852391.db2.gz XMBNHDBBEXKNIL-INIZCTEOSA-N 1 1 267.376 3.246 10 0 CGAEMO CC(C)[N@H+]1CCOC[C@H](c2ccc3ccncc3c2)C1 ZINC000616659511 348858908 /nfs/dbraw/zinc/85/89/08/348858908.db2.gz KMJRQEPPRZVBJG-QGZVFWFLSA-N 1 1 270.376 3.059 10 0 CGAEMO CC(C)[N@H+]1CCOC[C@@H](c2ccccc2Cl)C1 ZINC000616661229 348858938 /nfs/dbraw/zinc/85/89/38/348858938.db2.gz NDXSFQMNXMRJNE-LBPRGKRZSA-N 1 1 253.773 3.164 10 0 CGAEMO CC(C)[N@H+]1CCOC[C@@H](c2cccc(Cl)c2)C1 ZINC000616660490 348859100 /nfs/dbraw/zinc/85/91/00/348859100.db2.gz JBJOOQUZWWVNSA-ZDUSSCGKSA-N 1 1 253.773 3.164 10 0 CGAEMO CC(C)(C)[N@H+]1CCO[C@@H](c2ccc3ccnnc3c2)CC1 ZINC000616666006 348859877 /nfs/dbraw/zinc/85/98/77/348859877.db2.gz CILUBZQMJACGCK-MRXNPFEDSA-N 1 1 285.391 3.192 10 0 CGAEMO CC[N@H+]1CCO[C@@H](c2ccc3ncccc3c2)CC1 ZINC000616666495 348860015 /nfs/dbraw/zinc/86/00/15/348860015.db2.gz VLDRLIHBYORWAL-MRXNPFEDSA-N 1 1 256.349 3.018 10 0 CGAEMO OCC[N@H+]1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000616679363 348864814 /nfs/dbraw/zinc/86/48/14/348864814.db2.gz UNQOHALWYDRTCK-KRWDZBQOSA-N 1 1 287.790 3.280 10 0 CGAEMO C[C@H](N[C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1Br ZINC000358391718 233123985 /nfs/dbraw/zinc/12/39/85/233123985.db2.gz FKIXUAUHNOZFJQ-MJVIPROJSA-N 1 1 297.240 3.050 10 0 CGAEMO C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1ccccc1Br ZINC000358391718 233123987 /nfs/dbraw/zinc/12/39/87/233123987.db2.gz FKIXUAUHNOZFJQ-MJVIPROJSA-N 1 1 297.240 3.050 10 0 CGAEMO [NH3+][C@H]1CCCCCN(C[C@H]2CCCCC2(F)F)C1 ZINC000631834606 351149726 /nfs/dbraw/zinc/14/97/26/351149726.db2.gz BIYFRCJOFYBROT-OLZOCXBDSA-N 1 1 260.372 3.015 10 0 CGAEMO N[C@H]1CCCCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000631834606 351149730 /nfs/dbraw/zinc/14/97/30/351149730.db2.gz BIYFRCJOFYBROT-OLZOCXBDSA-N 1 1 260.372 3.015 10 0 CGAEMO N[C@H]1CCCCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000631834606 351149732 /nfs/dbraw/zinc/14/97/32/351149732.db2.gz BIYFRCJOFYBROT-OLZOCXBDSA-N 1 1 260.372 3.015 10 0 CGAEMO OCCC[C@H]1CCC[N@H+]1CCCCc1ccccc1 ZINC000122302664 187026077 /nfs/dbraw/zinc/02/60/77/187026077.db2.gz RTLIHVUZDPXXLK-QGZVFWFLSA-N 1 1 261.409 3.246 10 0 CGAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000122932944 187060580 /nfs/dbraw/zinc/06/05/80/187060580.db2.gz OSNCYVBZBQPHDU-INIZCTEOSA-N 1 1 299.418 3.291 10 0 CGAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccccc1Cl ZINC000364240052 234026290 /nfs/dbraw/zinc/02/62/90/234026290.db2.gz ATIRQRYSNZDDCH-CHWSQXEVSA-N 1 1 292.810 3.039 10 0 CGAEMO Cc1cccc(N2CCC[C@H]2C[C@H](O)c2ccccc2)[nH+]1 ZINC000157789585 188338091 /nfs/dbraw/zinc/33/80/91/188338091.db2.gz USCOTTFCHRSTDW-IRXDYDNUSA-N 1 1 282.387 3.483 10 0 CGAEMO Fc1cccc(F)c1[C@H]1CC[N@@H+](Cc2cc[nH]c2)C1 ZINC000187594533 283016192 /nfs/dbraw/zinc/01/61/92/283016192.db2.gz YAHZMCZJDFOLGL-LBPRGKRZSA-N 1 1 262.303 3.282 10 0 CGAEMO CC(C)COc1ccc([C@H](C)[NH2+]Cc2ccn(C)n2)cc1 ZINC000167769400 188644335 /nfs/dbraw/zinc/64/43/35/188644335.db2.gz RKGDQFHXDHLDGG-AWEZNQCLSA-N 1 1 287.407 3.306 10 0 CGAEMO CO[C@H](c1noc([C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)n1)C1CC1 ZINC000328881488 202096844 /nfs/dbraw/zinc/09/68/44/202096844.db2.gz MGZRVNKLNNASRS-XZUYRWCXSA-N 1 1 279.384 3.101 10 0 CGAEMO CO[C@H](c1noc([C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1)C1CC1 ZINC000328881488 202096846 /nfs/dbraw/zinc/09/68/46/202096846.db2.gz MGZRVNKLNNASRS-XZUYRWCXSA-N 1 1 279.384 3.101 10 0 CGAEMO c1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)nc1 ZINC000104959711 138350592 /nfs/dbraw/zinc/35/05/92/138350592.db2.gz JWXISZWXGKACGU-HNNXBMFYSA-N 1 1 282.343 3.147 10 0 CGAEMO COc1c(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c(C)nn1C ZINC000093689605 138348566 /nfs/dbraw/zinc/34/85/66/138348566.db2.gz BCJHKTQTDZLGJB-GOEBONIOSA-N 1 1 299.418 3.115 10 0 CGAEMO c1cc(C2CC[NH+](CCSc3ccccc3)CC2)[nH]n1 ZINC000117876613 138366302 /nfs/dbraw/zinc/36/63/02/138366302.db2.gz BQGWDDGREPATAJ-UHFFFAOYSA-N 1 1 287.432 3.381 10 0 CGAEMO CCCn1cc(C[N@@H+]2CCC[C@H]2c2ccco2)cn1 ZINC000124552055 138375743 /nfs/dbraw/zinc/37/57/43/138375743.db2.gz UDFIHPXCAOKTNL-AWEZNQCLSA-N 1 1 259.353 3.223 10 0 CGAEMO CCCn1cc(C[N@H+]2CCC[C@H]2c2ccco2)cn1 ZINC000124552055 138375745 /nfs/dbraw/zinc/37/57/45/138375745.db2.gz UDFIHPXCAOKTNL-AWEZNQCLSA-N 1 1 259.353 3.223 10 0 CGAEMO Cc1ccc([C@H]2CCCC[N@@H+]2CC(=O)NCC2CCC2)o1 ZINC000124610343 138376215 /nfs/dbraw/zinc/37/62/15/138376215.db2.gz RYWKSZANJHPGMF-OAHLLOKOSA-N 1 1 290.407 3.031 10 0 CGAEMO Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)NCC2CCC2)o1 ZINC000124610343 138376216 /nfs/dbraw/zinc/37/62/16/138376216.db2.gz RYWKSZANJHPGMF-OAHLLOKOSA-N 1 1 290.407 3.031 10 0 CGAEMO Cc1cnn([C@@H]2CCC[N@@H+](CCc3ccc(C)cc3)C2)c1 ZINC000124654572 138376973 /nfs/dbraw/zinc/37/69/73/138376973.db2.gz KODYSXKPVHCELW-GOSISDBHSA-N 1 1 283.419 3.380 10 0 CGAEMO CCn1c(C)nnc1C[NH+]1CCC(CC)(CC)CC1 ZINC000186540636 138442045 /nfs/dbraw/zinc/44/20/45/138442045.db2.gz DNWUIPNXZKATHW-UHFFFAOYSA-N 1 1 264.417 3.009 10 0 CGAEMO c1cncc(-c2cccc(CN3CC[N@H+]4CCC[C@H]4C3)c2)c1 ZINC000245760081 138525952 /nfs/dbraw/zinc/52/59/52/138525952.db2.gz POEOBSVFYLHZPI-IBGZPJMESA-N 1 1 293.414 3.029 10 0 CGAEMO CCC[C@@H](C)CC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000177167330 189033599 /nfs/dbraw/zinc/03/35/99/189033599.db2.gz YQRISRMXRVTAMS-HIFRSBDPSA-N 1 1 277.412 3.009 10 0 CGAEMO Cn1cc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C2)cn1 ZINC000179808742 189221844 /nfs/dbraw/zinc/22/18/44/189221844.db2.gz QWQOZPFCMBYAMI-NSHDSACASA-N 1 1 293.773 3.202 10 0 CGAEMO Cn1cc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C2)cn1 ZINC000179808727 189222150 /nfs/dbraw/zinc/22/21/50/189222150.db2.gz QWQOZPFCMBYAMI-LLVKDONJSA-N 1 1 293.773 3.202 10 0 CGAEMO CCc1nnc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)n1C ZINC000181485243 189297688 /nfs/dbraw/zinc/29/76/88/189297688.db2.gz YDYIETPBXVVRGB-ZDUSSCGKSA-N 1 1 294.402 3.382 10 0 CGAEMO CC1(C)CCC(C[N@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000119509570 370682951 /nfs/dbraw/zinc/68/29/51/370682951.db2.gz HGQYANTUBWGJOU-HNNXBMFYSA-N 1 1 276.428 3.131 10 0 CGAEMO O[C@H](CNc1[nH]c2ccccc2[nH+]1)c1ccc(Cl)s1 ZINC000301866020 201239120 /nfs/dbraw/zinc/23/91/20/201239120.db2.gz HDPJLNBNFNQXIV-SNVBAGLBSA-N 1 1 293.779 3.423 10 0 CGAEMO c1csc(-c2n[nH]c(CNc3[nH]c4ccccc4[nH+]3)n2)c1 ZINC000301867372 201239668 /nfs/dbraw/zinc/23/96/68/201239668.db2.gz HQCPKQCTNRVWOB-UHFFFAOYSA-N 1 1 296.359 3.022 10 0 CGAEMO Cc1nc(CN(C)c2cc[nH+]c3ccc(Cl)cc32)no1 ZINC000302205043 201396577 /nfs/dbraw/zinc/39/65/77/201396577.db2.gz WQXMMRMCMGIMSO-UHFFFAOYSA-N 1 1 288.738 3.216 10 0 CGAEMO Nc1ccc(N2CCC(Cc3ccccc3)CC2)[nH+]c1 ZINC000011568730 368592069 /nfs/dbraw/zinc/59/20/69/368592069.db2.gz NNSTUGUUORYPST-UHFFFAOYSA-N 1 1 267.376 3.123 10 0 CGAEMO Cc1noc([C@@H]2[C@H]3CC[C@@H](C[C@@H]2c2ccccc2)[N@@H+]3C)n1 ZINC000013816628 368667412 /nfs/dbraw/zinc/66/74/12/368667412.db2.gz QSHBOMWRGOGQOF-JJXSEGSLSA-N 1 1 283.375 3.112 10 0 in-vitro CGAEMO CCOc1ccc([C@@H](CN)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022854012 368812879 /nfs/dbraw/zinc/81/28/79/368812879.db2.gz ZJYXNAAZHPSOBU-JKIFEVAISA-N 1 1 276.424 3.063 10 0 CGAEMO CCOc1ccc([C@@H](C[NH3+])N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022854012 368812883 /nfs/dbraw/zinc/81/28/83/368812883.db2.gz ZJYXNAAZHPSOBU-JKIFEVAISA-N 1 1 276.424 3.063 10 0 CGAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CCCCC2)o1 ZINC000037976391 369129782 /nfs/dbraw/zinc/12/97/82/369129782.db2.gz JTIIWOWWWNOSIA-STQMWFEESA-N 1 1 278.396 3.076 10 0 CGAEMO CCOc1ccccc1[C@H](C)N[C@@H]1CCC[N@H+](CC)C1 ZINC000040502312 369158441 /nfs/dbraw/zinc/15/84/41/369158441.db2.gz DMJQVCODNSLICY-LSDHHAIUSA-N 1 1 276.424 3.220 10 0 CGAEMO CCOc1ccccc1[C@H](C)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000040502312 369158442 /nfs/dbraw/zinc/15/84/42/369158442.db2.gz DMJQVCODNSLICY-LSDHHAIUSA-N 1 1 276.424 3.220 10 0 CGAEMO OCCC[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1 ZINC000052761834 369470592 /nfs/dbraw/zinc/47/05/92/369470592.db2.gz VGWMMNQFZYRBMN-CQSZACIVSA-N 1 1 253.773 3.077 10 0 CGAEMO CC(C)[C@H](C)NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000059992927 369582924 /nfs/dbraw/zinc/58/29/24/369582924.db2.gz YBDLUDGVKVVWHB-ZNMIVQPWSA-N 1 1 297.487 3.087 10 0 CGAEMO Cc1[nH+]cn(-c2ccc(CNC(=O)C3CCCC3)cc2)c1C ZINC000065201863 369665206 /nfs/dbraw/zinc/66/52/06/369665206.db2.gz GJQTXSFTJFJUFW-UHFFFAOYSA-N 1 1 297.402 3.296 10 0 CGAEMO C[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCCOc1ccccc1 ZINC000083704433 370009828 /nfs/dbraw/zinc/00/98/28/370009828.db2.gz KUBBGRMWNDGALM-DLBZAZTESA-N 1 1 288.435 3.014 10 0 CGAEMO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCOc1ccccc1 ZINC000083704433 370009830 /nfs/dbraw/zinc/00/98/30/370009830.db2.gz KUBBGRMWNDGALM-DLBZAZTESA-N 1 1 288.435 3.014 10 0 CGAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCCOc1ccccc1 ZINC000083704433 370009832 /nfs/dbraw/zinc/00/98/32/370009832.db2.gz KUBBGRMWNDGALM-DLBZAZTESA-N 1 1 288.435 3.014 10 0 CGAEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cccc(C)c3C)C2)no1 ZINC000092813958 370103030 /nfs/dbraw/zinc/10/30/30/370103030.db2.gz VUMPCNDLLGHNKR-MRXNPFEDSA-N 1 1 299.418 3.450 10 0 CGAEMO C[C@H](c1ccc[nH]1)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000095089062 370174079 /nfs/dbraw/zinc/17/40/79/370174079.db2.gz YMCUEJUPGZNRFF-OLZOCXBDSA-N 1 1 293.411 3.065 10 0 CGAEMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cncs2)C12CCCC2 ZINC000093610979 370147653 /nfs/dbraw/zinc/14/76/53/370147653.db2.gz OGAGAJLIDXNYKO-KBPBESRZSA-N 1 1 280.437 3.313 10 0 CGAEMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccn2C)C12CCCC2 ZINC000093611154 370149014 /nfs/dbraw/zinc/14/90/14/370149014.db2.gz QOEHXMFVHHDWHR-JKSUJKDBSA-N 1 1 276.424 3.195 10 0 CGAEMO CC(C)c1csc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000101631900 370293512 /nfs/dbraw/zinc/29/35/12/370293512.db2.gz ZTITYXDNQZNYSJ-TUAOUCFPSA-N 1 1 295.452 3.466 10 0 CGAEMO CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116320732 370557166 /nfs/dbraw/zinc/55/71/66/370557166.db2.gz LJULLSVCXHJDQT-RDJZCZTQSA-N 1 1 269.392 3.361 10 0 CGAEMO C[N@H+]1CC[C@]2(CCN(c3noc4ccc(Cl)cc43)C2)C1 ZINC000292414756 372190215 /nfs/dbraw/zinc/19/02/15/372190215.db2.gz VYUSCMIHLARJCB-HNNXBMFYSA-N 1 1 291.782 3.013 10 0 CGAEMO COc1cccc(C[NH2+][C@@H]2CCOc3ccccc32)c1F ZINC000165842157 372558393 /nfs/dbraw/zinc/55/83/93/372558393.db2.gz FFESKWOWVAOQOU-CQSZACIVSA-N 1 1 287.334 3.448 10 0 CGAEMO CCO[C@H]1C[C@H]([N@@H+](C)CCc2cccnc2)C12CCCC2 ZINC000172670056 373009591 /nfs/dbraw/zinc/00/95/91/373009591.db2.gz YNDOUTDJPBCGBU-IRXDYDNUSA-N 1 1 288.435 3.294 10 0 CGAEMO C[C@@H](c1c(F)cccc1F)N1CCC[N@H+](C2CC2)CC1 ZINC000172540705 372986499 /nfs/dbraw/zinc/98/64/99/372986499.db2.gz UHBTXFPVXZONST-LBPRGKRZSA-N 1 1 280.362 3.196 10 0 CGAEMO c1nc(CN2CC[N@H+]3CCCC[C@@H]3C2)oc1-c1ccccc1 ZINC000172803647 373038072 /nfs/dbraw/zinc/03/80/72/373038072.db2.gz ZBJNELVVPSANLU-MRXNPFEDSA-N 1 1 297.402 3.012 10 0 CGAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc(OC(F)F)cc1 ZINC000175339672 373453607 /nfs/dbraw/zinc/45/36/07/373453607.db2.gz JLBOYWDKEOCGBG-CQSZACIVSA-N 1 1 298.377 3.204 10 0 CGAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C)s1 ZINC000177025466 373649464 /nfs/dbraw/zinc/64/94/64/373649464.db2.gz QNNUOJFMAZGSKK-GFCCVEGCSA-N 1 1 281.425 3.005 10 0 CGAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CC1CCCCC1 ZINC000177180578 373659959 /nfs/dbraw/zinc/65/99/59/373659959.db2.gz ZLLKSSYYKTWPAV-MRXNPFEDSA-N 1 1 289.423 3.153 10 0 CGAEMO Cc1ccc(F)cc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000179942827 373945012 /nfs/dbraw/zinc/94/50/12/373945012.db2.gz MYIXBPMNLUWZSA-HOTGVXAUSA-N 1 1 263.356 3.278 10 0 CGAEMO Cc1ccc(F)cc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000179942827 373945014 /nfs/dbraw/zinc/94/50/14/373945014.db2.gz MYIXBPMNLUWZSA-HOTGVXAUSA-N 1 1 263.356 3.278 10 0 CGAEMO COc1cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)ccc1O ZINC000180088280 373963255 /nfs/dbraw/zinc/96/32/55/373963255.db2.gz DFYOSUWYCIEZKY-XJKSGUPXSA-N 1 1 293.432 3.261 10 0 CGAEMO COc1cc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)ccc1O ZINC000180083199 373963386 /nfs/dbraw/zinc/96/33/86/373963386.db2.gz VJXHKNFTUCLGGX-INIZCTEOSA-N 1 1 298.386 3.441 10 0 CGAEMO CC(C)n1nnnc1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000181355406 374112128 /nfs/dbraw/zinc/11/21/28/374112128.db2.gz XFVAAWXEXLNWPW-MRXNPFEDSA-N 1 1 299.422 3.275 10 0 CGAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC1=Cc2ccccc2OC1 ZINC000182076031 374214900 /nfs/dbraw/zinc/21/49/00/374214900.db2.gz MECCUCQPTNUYFQ-ZWKOTPCHSA-N 1 1 298.430 3.021 10 0 CGAEMO Cc1nnc([C@@H](C)[N@H+]2CC3(CCC3)C[C@@H]2C)s1 ZINC000335928222 375545875 /nfs/dbraw/zinc/54/58/75/375545875.db2.gz LBOFOPIYLZHXPJ-VHSXEESVSA-N 1 1 251.399 3.172 10 0 CGAEMO CCC(=O)CC[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000190206315 375484227 /nfs/dbraw/zinc/48/42/27/375484227.db2.gz KHGPVDSZTFVYQH-LBPRGKRZSA-N 1 1 266.410 3.000 10 0 CGAEMO Cc1c([C@H](C)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cnn1C(C)C ZINC000191378887 375620989 /nfs/dbraw/zinc/62/09/89/375620989.db2.gz NRPANSYMRBSDTF-GRDNDAEWSA-N 1 1 292.471 3.152 10 0 CGAEMO Cc1c([C@H](C)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cnn1C(C)C ZINC000191378887 375620994 /nfs/dbraw/zinc/62/09/94/375620994.db2.gz NRPANSYMRBSDTF-GRDNDAEWSA-N 1 1 292.471 3.152 10 0 CGAEMO FC1(F)CCC[C@@H]1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000336254944 375765157 /nfs/dbraw/zinc/76/51/57/375765157.db2.gz HRTXDKQFLDYUHR-GFCCVEGCSA-N 1 1 291.407 3.020 10 0 CGAEMO C[C@H]1CN(C[C@H]2CCCC2(F)F)CC[N@H+](C2CCC2)C1 ZINC000336264614 375765836 /nfs/dbraw/zinc/76/58/36/375765836.db2.gz IDLZGMVHLVWPQM-UONOGXRCSA-N 1 1 286.410 3.228 10 0 CGAEMO C[C@@H]1CN(C2CCC2)CC[N@H+](C[C@H]2CCCC2(F)F)C1 ZINC000336264614 375765840 /nfs/dbraw/zinc/76/58/40/375765840.db2.gz IDLZGMVHLVWPQM-UONOGXRCSA-N 1 1 286.410 3.228 10 0 CGAEMO C[C@@H]1CN(C2CCC2)CC[N@@H+](C[C@H]2CCCC2(F)F)C1 ZINC000336264614 375765844 /nfs/dbraw/zinc/76/58/44/375765844.db2.gz IDLZGMVHLVWPQM-UONOGXRCSA-N 1 1 286.410 3.228 10 0 CGAEMO COc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)ccc1C ZINC000193759873 375919493 /nfs/dbraw/zinc/91/94/93/375919493.db2.gz CQUXBYRJMINVRY-JKSUJKDBSA-N 1 1 275.392 3.147 10 0 CGAEMO COc1cc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)ccc1C ZINC000193879419 375934784 /nfs/dbraw/zinc/93/47/84/375934784.db2.gz ABPMUBNMBCVKMN-INIZCTEOSA-N 1 1 285.391 3.074 10 0 CGAEMO Cc1nc([C@@H]2CCC[N@H+]2C[C@@H]2CCC=CO2)cs1 ZINC000194757348 376040772 /nfs/dbraw/zinc/04/07/72/376040772.db2.gz VJOQUJWAFLQIIM-JSGCOSHPSA-N 1 1 264.394 3.281 10 0 CGAEMO CCc1cccc(C)c1NC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000194313856 375982239 /nfs/dbraw/zinc/98/22/39/375982239.db2.gz PVJGIXBXDFRVOJ-HNNXBMFYSA-N 1 1 289.423 3.163 10 0 CGAEMO CC(C)(C)OCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195372314 376099807 /nfs/dbraw/zinc/09/98/07/376099807.db2.gz BMHSUIBGQZNKCU-GFCCVEGCSA-N 1 1 268.426 3.485 10 0 CGAEMO CC(C)(C)OCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195372314 376099809 /nfs/dbraw/zinc/09/98/09/376099809.db2.gz BMHSUIBGQZNKCU-GFCCVEGCSA-N 1 1 268.426 3.485 10 0 CGAEMO COc1ccc(Br)c(C[N@@H+]2C[C@H]3CCC[C@@H]32)c1 ZINC000536669581 376116919 /nfs/dbraw/zinc/11/69/19/376116919.db2.gz RNHQNOMTDHSVNA-YGRLFVJLSA-N 1 1 296.208 3.442 10 0 CGAEMO COc1ccc(Br)c(C[N@H+]2C[C@H]3CCC[C@@H]32)c1 ZINC000536669581 376116925 /nfs/dbraw/zinc/11/69/25/376116925.db2.gz RNHQNOMTDHSVNA-YGRLFVJLSA-N 1 1 296.208 3.442 10 0 CGAEMO O=C(c1ccc2ccccc2c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195093482 376078055 /nfs/dbraw/zinc/07/80/55/376078055.db2.gz WWOVQIOTTFTZAQ-GOSISDBHSA-N 1 1 294.398 3.150 10 0 CGAEMO O=C(c1ccc2ccccc2c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195093482 376078061 /nfs/dbraw/zinc/07/80/61/376078061.db2.gz WWOVQIOTTFTZAQ-GOSISDBHSA-N 1 1 294.398 3.150 10 0 CGAEMO CCC[N@H+](CC)CCNCc1ccnc2ccccc12 ZINC000223229510 376248081 /nfs/dbraw/zinc/24/80/81/376248081.db2.gz FEAUHUUDKVNYEJ-UHFFFAOYSA-N 1 1 271.408 3.056 10 0 CGAEMO CCC[N@@H+](CC)CCNCc1ccnc2ccccc12 ZINC000223229510 376248089 /nfs/dbraw/zinc/24/80/89/376248089.db2.gz FEAUHUUDKVNYEJ-UHFFFAOYSA-N 1 1 271.408 3.056 10 0 CGAEMO CC[C@H]1C[N@@H+](Cc2ncc[nH]2)CC[C@H]1c1ccccc1 ZINC000245411403 376808969 /nfs/dbraw/zinc/80/89/69/376808969.db2.gz WRSBIBKRPHHLOS-GOEBONIOSA-N 1 1 269.392 3.425 10 0 CGAEMO O[C@]12CCCC[C@H]1C[N@@H+](CCCc1cccc(F)c1)CC2 ZINC000245524989 376843161 /nfs/dbraw/zinc/84/31/61/376843161.db2.gz NZRFXRXOEFNZLS-WMZOPIPTSA-N 1 1 291.410 3.385 10 0 CGAEMO Cc1ccn(-c2ccccc2N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000245656575 376876105 /nfs/dbraw/zinc/87/61/05/376876105.db2.gz FGKAYPKWRBLIKR-LSDHHAIUSA-N 1 1 284.407 3.075 10 0 CGAEMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000246138817 376974300 /nfs/dbraw/zinc/97/43/00/376974300.db2.gz NKXLLRDQCYLHJA-KBPBESRZSA-N 1 1 292.448 3.068 10 0 CGAEMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCS[C@@H](C)C2)c1 ZINC000246138817 376974307 /nfs/dbraw/zinc/97/43/07/376974307.db2.gz NKXLLRDQCYLHJA-KBPBESRZSA-N 1 1 292.448 3.068 10 0 CGAEMO CCCc1noc(C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)n1 ZINC000246418970 377026332 /nfs/dbraw/zinc/02/63/32/377026332.db2.gz KLLUMNZYTPEANM-HIFRSBDPSA-N 1 1 285.391 3.400 10 0 CGAEMO Cc1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)on1 ZINC000246424581 377029015 /nfs/dbraw/zinc/02/90/15/377029015.db2.gz CDDQHVIELBEZIE-GXTWGEPZSA-N 1 1 292.404 3.133 10 0 CGAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc(Cl)cc2)C1 ZINC000246467593 377038244 /nfs/dbraw/zinc/03/82/44/377038244.db2.gz ZMVFFWWCPKTLCS-SMDDNHRTSA-N 1 1 295.814 3.190 10 0 CGAEMO C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246915213 377119316 /nfs/dbraw/zinc/11/93/16/377119316.db2.gz HPTVWDQOPPMVGR-GXTWGEPZSA-N 1 1 273.355 3.110 10 0 CGAEMO CCn1c(C)nnc1C[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000246987111 377133073 /nfs/dbraw/zinc/13/30/73/377133073.db2.gz SNVICJOCWAAKNS-YOEHRIQHSA-N 1 1 298.434 3.232 10 0 CGAEMO CCn1c(C)nnc1C[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000246987111 377133087 /nfs/dbraw/zinc/13/30/87/377133087.db2.gz SNVICJOCWAAKNS-YOEHRIQHSA-N 1 1 298.434 3.232 10 0 CGAEMO O[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000247045369 377146658 /nfs/dbraw/zinc/14/66/58/377146658.db2.gz OEKPBVCMERKOID-CVEARBPZSA-N 1 1 271.360 3.020 10 0 CGAEMO c1cc2c(s1)CCC[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000247244827 377182637 /nfs/dbraw/zinc/18/26/37/377182637.db2.gz ZDUBVXLMKIJTCO-YDHLFZDLSA-N 1 1 276.449 3.342 10 0 CGAEMO c1cc2c(s1)CCC[C@@H]2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000247244827 377182647 /nfs/dbraw/zinc/18/26/47/377182647.db2.gz ZDUBVXLMKIJTCO-YDHLFZDLSA-N 1 1 276.449 3.342 10 0 CGAEMO C[C@H](C1CC1)[N@@H+](C)CC(=O)N1CCC[C@H]1c1cccs1 ZINC000248027673 377257701 /nfs/dbraw/zinc/25/77/01/377257701.db2.gz SMGPJZLPVURNIE-OCCSQVGLSA-N 1 1 292.448 3.142 10 0 CGAEMO C[C@@H]1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC(C)(C)C1 ZINC000248524134 377337124 /nfs/dbraw/zinc/33/71/24/377337124.db2.gz CELIYSVIHAJQNU-QXSJWSMHSA-N 1 1 292.467 3.144 10 0 CGAEMO C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@H]21 ZINC000248179625 377277633 /nfs/dbraw/zinc/27/76/33/377277633.db2.gz WEISWJJHJUAQEO-QZTJIDSGSA-N 1 1 272.436 3.035 10 0 CGAEMO c1csc([C@@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)n1 ZINC000248761500 377398052 /nfs/dbraw/zinc/39/80/52/377398052.db2.gz DOMAIAQDBZJEGU-CHWSQXEVSA-N 1 1 264.394 3.015 10 0 CGAEMO CCCCOC[C@@H](O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000248653899 377377480 /nfs/dbraw/zinc/37/74/80/377377480.db2.gz PCTODSPIFSRQGV-HOTGVXAUSA-N 1 1 295.423 3.374 10 0 CGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[C@H]1CCC[C@H]1C ZINC000249010234 377442549 /nfs/dbraw/zinc/44/25/49/377442549.db2.gz OLQYXLYCONCCMZ-BMFZPTHFSA-N 1 1 289.423 3.009 10 0 CGAEMO CCC[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000249208535 377478602 /nfs/dbraw/zinc/47/86/02/377478602.db2.gz CEOWZEGYEGOEQK-CABCVRRESA-N 1 1 261.413 3.312 10 0 CGAEMO Cc1nccnc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000249201999 377479453 /nfs/dbraw/zinc/47/94/53/377479453.db2.gz UFXXZULCGXLVJG-LESCRADOSA-N 1 1 297.402 3.356 10 0 CGAEMO C[C@@H](c1ccc(F)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000090824803 249030114 /nfs/dbraw/zinc/03/01/14/249030114.db2.gz JUYNGNCHZMGPNZ-XJKSGUPXSA-N 1 1 262.372 3.057 10 0 CGAEMO Cc1csc([C@@H]2C[N@@H+](C[C@H]3CC=CCC3)CCO2)n1 ZINC000092789800 249035666 /nfs/dbraw/zinc/03/56/66/249035666.db2.gz SZLYLDUIZLDUOT-KBPBESRZSA-N 1 1 278.421 3.181 10 0 CGAEMO Cc1cc(F)ccc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000093585690 249038043 /nfs/dbraw/zinc/03/80/43/249038043.db2.gz NCQNHSFHIQPYJS-NVXWUHKLSA-N 1 1 277.383 3.261 10 0 CGAEMO C[C@@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000516044581 249224106 /nfs/dbraw/zinc/22/41/06/249224106.db2.gz JKMDICWAJSSGCT-BZPMIXESSA-N 1 1 266.816 3.379 10 0 CGAEMO c1cn2c(cccc2C[N@H+]2CCS[C@@H]3CCCC[C@H]32)n1 ZINC000252733828 377659992 /nfs/dbraw/zinc/65/99/92/377659992.db2.gz ITRXDMBNPDMTKI-HUUCEWRRSA-N 1 1 287.432 3.194 10 0 CGAEMO CC(C)CCOCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253098813 377675782 /nfs/dbraw/zinc/67/57/82/377675782.db2.gz UFMDDBHVKSELPU-BRWVUGGUSA-N 1 1 283.456 3.065 10 0 CGAEMO CC(C)(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253098420 377676273 /nfs/dbraw/zinc/67/62/73/377676273.db2.gz SZGOEOBBBVCRER-KFWWJZLASA-N 1 1 253.430 3.438 10 0 CGAEMO CCCCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182064170 542222369 /nfs/dbraw/zinc/22/23/69/542222369.db2.gz KKMHJUQLHCAREZ-HNNXBMFYSA-N 1 1 276.424 3.203 10 0 CGAEMO CCOC(=O)c1ccccc1[C@@H]1CCC[N@@H+](C)CC1 ZINC000260012489 377806659 /nfs/dbraw/zinc/80/66/59/377806659.db2.gz BSQKJFXTRWZDJT-CYBMUJFWSA-N 1 1 261.365 3.063 10 0 CGAEMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1cccs1 ZINC000182542080 542224638 /nfs/dbraw/zinc/22/46/38/542224638.db2.gz UJJTXHXZILRODY-GFCCVEGCSA-N 1 1 298.415 3.394 10 0 CGAEMO [NH3+][C@H](c1cncs1)c1ccsc1Br ZINC000575491630 377914811 /nfs/dbraw/zinc/91/48/11/377914811.db2.gz HGEVGRNUYQXFIP-ZETCQYMHSA-N 1 1 275.196 3.015 10 0 CGAEMO OC[C@H]1CCCC[N@@H+](CCSc2ccccc2F)C1 ZINC000374034717 379365019 /nfs/dbraw/zinc/36/50/19/379365019.db2.gz ABRSBBZBDJIMAR-ZDUSSCGKSA-N 1 1 283.412 3.012 10 0 CGAEMO CCC(F)(F)C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000639623450 379513452 /nfs/dbraw/zinc/51/34/52/379513452.db2.gz PRCZOTZVOXJUJM-UPJWGTAASA-N 1 1 261.356 3.047 10 0 CGAEMO Cc1cncc(C[N@H+]2CCC[C@](O)(c3ccccc3)CC2)c1 ZINC000377685101 379719480 /nfs/dbraw/zinc/71/94/80/379719480.db2.gz XTZBIOCADDHOML-LJQANCHMSA-N 1 1 296.414 3.264 10 0 CGAEMO Cc1cccc(C[NH2+]Cc2nnc(C3CC3)s2)c1C ZINC000414553175 380314910 /nfs/dbraw/zinc/31/49/10/380314910.db2.gz IFDFDZFRMWSRGH-UHFFFAOYSA-N 1 1 273.405 3.322 10 0 CGAEMO COc1c(C[N@H+]2CCC[C@H]2c2cccc(C)c2)c(C)nn1C ZINC000153522358 533415671 /nfs/dbraw/zinc/41/56/71/533415671.db2.gz NYCGGNQFFMFKPK-KRWDZBQOSA-N 1 1 299.418 3.383 10 0 CGAEMO CCc1nc(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2CC)cs1 ZINC000380853052 542595824 /nfs/dbraw/zinc/59/58/24/542595824.db2.gz UAGJCBHMXYZKCW-LSDHHAIUSA-N 1 1 293.480 3.154 10 0 CGAEMO CC(C)C[C@H](C[NH+](C)C)NCc1cccc(F)c1F ZINC000049555726 392054471 /nfs/dbraw/zinc/05/44/71/392054471.db2.gz GSFYCKXUYFISAD-CYBMUJFWSA-N 1 1 270.367 3.031 10 0 CGAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccccc2C)C1 ZINC000105851348 392295608 /nfs/dbraw/zinc/29/56/08/392295608.db2.gz ZVJRPMHIHXSDQZ-HNNXBMFYSA-N 1 1 297.402 3.231 10 0 CGAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000106212478 392299653 /nfs/dbraw/zinc/29/96/53/392299653.db2.gz BGFMUQZGBSYVJV-INIZCTEOSA-N 1 1 287.382 3.422 10 0 CGAEMO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000253093739 131140484 /nfs/dbraw/zinc/14/04/84/131140484.db2.gz MSYQSFLTEPEYEJ-OQIJWPOYSA-N 1 1 285.431 3.342 10 0 CGAEMO Cc1cn2c(C[N@H+]3CCCC4(CC4)C3)c(C)nc2s1 ZINC000186620728 392784087 /nfs/dbraw/zinc/78/40/87/392784087.db2.gz XBZHSEPIPIRFRN-UHFFFAOYSA-N 1 1 275.421 3.389 10 0 CGAEMO COc1c(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c(C)nn1C ZINC000245707552 393045266 /nfs/dbraw/zinc/04/52/66/393045266.db2.gz FJMRWBYPYPMOOD-CJNGLKHVSA-N 1 1 299.418 3.115 10 0 CGAEMO CCC(C)(C)CC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000483499313 393442604 /nfs/dbraw/zinc/44/26/04/393442604.db2.gz FUVFINPLGKHFGY-GDBMZVCRSA-N 1 1 253.430 3.440 10 0 CGAEMO Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N2CCCCC2)o1 ZINC000124589033 292210392 /nfs/dbraw/zinc/21/03/92/292210392.db2.gz QGUBFLUYZZWAMT-HNNXBMFYSA-N 1 1 290.407 3.128 10 0 CGAEMO Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)N2CCCCC2)o1 ZINC000124589033 292210393 /nfs/dbraw/zinc/21/03/93/292210393.db2.gz QGUBFLUYZZWAMT-HNNXBMFYSA-N 1 1 290.407 3.128 10 0 CGAEMO Cc1cc(C)c(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000063191556 165031940 /nfs/dbraw/zinc/03/19/40/165031940.db2.gz AVQLRVIHOALEHU-NVXWUHKLSA-N 1 1 260.425 3.314 10 0 CGAEMO Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H](C)N)c(C)c1 ZINC000063191556 165031943 /nfs/dbraw/zinc/03/19/43/165031943.db2.gz AVQLRVIHOALEHU-NVXWUHKLSA-N 1 1 260.425 3.314 10 0 CGAEMO Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)N)c(C)c1 ZINC000063191556 165031945 /nfs/dbraw/zinc/03/19/45/165031945.db2.gz AVQLRVIHOALEHU-NVXWUHKLSA-N 1 1 260.425 3.314 10 0 CGAEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3cc(C)on3)C2)cc1 ZINC000076392670 165111265 /nfs/dbraw/zinc/11/12/65/165111265.db2.gz FBCAZKOBAVEVTL-SWLSCSKDSA-N 1 1 286.375 3.370 10 0 CGAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000090223378 165232456 /nfs/dbraw/zinc/23/24/56/165232456.db2.gz IDFOSAMAJHGREH-SCZZXKLOSA-N 1 1 296.827 3.487 10 0 CGAEMO COc1ccccc1[C@@H](C)[NH2+]Cc1cn2ccccc2n1 ZINC000102685497 165412576 /nfs/dbraw/zinc/41/25/76/165412576.db2.gz SLZVDYYFWZVBHB-CYBMUJFWSA-N 1 1 281.359 3.194 10 0 CGAEMO CC[N@@H+](Cc1nnc(C2CC2)n1C)[C@H]1CCCC[C@@H]1C ZINC000120031411 287176840 /nfs/dbraw/zinc/17/68/40/287176840.db2.gz FSEWICSHHQCAIJ-JSGCOSHPSA-N 1 1 276.428 3.093 10 0 CGAEMO CC[N@@H+](Cc1nnc(C(C)C)n1C)[C@@H]1CCCC[C@@H]1C ZINC000120144689 287178847 /nfs/dbraw/zinc/17/88/47/287178847.db2.gz NCMGKEDZTCDYAU-UONOGXRCSA-N 1 1 278.444 3.339 10 0 CGAEMO CCC(CC)(c1c[nH+]c(N)c(C)c1)n1nnc2ccccc21 ZINC000005307593 170084875 /nfs/dbraw/zinc/08/48/75/170084875.db2.gz CFLBTOZNAUQVBZ-UHFFFAOYSA-N 1 1 295.390 3.281 10 0 CGAEMO O[C@]1(c2ccc(Cl)cc2)CC[N@H+]2CCCC[C@H]2C1 ZINC000006093311 170175788 /nfs/dbraw/zinc/17/57/88/170175788.db2.gz LVBVOBFVWHLTBG-LSDHHAIUSA-N 1 1 265.784 3.176 10 0 CGAEMO CC(C)C[N@@H+](C)[C@@H](CN)c1ccc(Br)cc1 ZINC000020226524 171091094 /nfs/dbraw/zinc/09/10/94/171091094.db2.gz IJGQDCJFVQUFOK-ZDUSSCGKSA-N 1 1 285.229 3.037 10 0 CGAEMO CC(C)CN(C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226524 171091096 /nfs/dbraw/zinc/09/10/96/171091096.db2.gz IJGQDCJFVQUFOK-ZDUSSCGKSA-N 1 1 285.229 3.037 10 0 CGAEMO C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc2cc[nH]c2c1 ZINC000020287220 171133613 /nfs/dbraw/zinc/13/36/13/171133613.db2.gz LOCKTIDVYAJQLY-SFHVURJKSA-N 1 1 280.371 3.333 10 0 CGAEMO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2cccs2)no1 ZINC000020553367 171248989 /nfs/dbraw/zinc/24/89/89/171248989.db2.gz KCOOLWLGSZQLCJ-NSHDSACASA-N 1 1 271.345 3.041 10 0 CGAEMO CC1CCN([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])CC1 ZINC000021805096 171327050 /nfs/dbraw/zinc/32/70/50/171327050.db2.gz ANKYCEOCRDQYOH-QLFBSQMISA-N 1 1 252.446 3.260 10 0 CGAEMO CC[N@@H+]([C@H](CN)c1ccc(C)o1)C1CCCCC1 ZINC000022164781 171365127 /nfs/dbraw/zinc/36/51/27/171365127.db2.gz XBQGQMACQLKGAL-CQSZACIVSA-N 1 1 250.386 3.242 10 0 CGAEMO CCN([C@H](C[NH3+])c1ccc(C)o1)C1CCCCC1 ZINC000022164781 171365128 /nfs/dbraw/zinc/36/51/28/171365128.db2.gz XBQGQMACQLKGAL-CQSZACIVSA-N 1 1 250.386 3.242 10 0 CGAEMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1N)C1CCCCC1 ZINC000022219497 171377383 /nfs/dbraw/zinc/37/73/83/171377383.db2.gz HZRKNUAZWCTPLC-UHFFFAOYSA-N 1 1 295.814 3.125 10 0 CGAEMO C[N@@H+](Cc1ccsc1)Cc1cccc(C(N)=S)c1 ZINC000035719235 172373061 /nfs/dbraw/zinc/37/30/61/172373061.db2.gz ZJJFDWKJJVVYBK-UHFFFAOYSA-N 1 1 276.430 3.014 10 0 CGAEMO CCOc1ccc(-c2[nH+]c3c(C)cccn3c2N)cc1 ZINC000036222034 172519677 /nfs/dbraw/zinc/51/96/77/172519677.db2.gz HOOBVVXGOGFDJE-UHFFFAOYSA-N 1 1 267.332 3.291 10 0 CGAEMO CCCC[N@@H+](CC)Cc1ccc(N)c2cccnc12 ZINC000037272845 173084040 /nfs/dbraw/zinc/08/40/40/173084040.db2.gz KBMKHAVFYRDAJV-UHFFFAOYSA-N 1 1 257.381 3.439 10 0 CGAEMO CCOc1ccc(C(=O)C[N@@H+](C)C2CCCC2)cc1 ZINC000037415014 173191940 /nfs/dbraw/zinc/19/19/40/173191940.db2.gz QTWLXTCMGFUAIX-UHFFFAOYSA-N 1 1 261.365 3.142 10 0 CGAEMO Cc1ccc([C@@H](O)C[N@H+](C)Cc2ccccc2)cc1C ZINC000043501813 175058417 /nfs/dbraw/zinc/05/84/17/175058417.db2.gz OOIODYCXXWODDS-SFHVURJKSA-N 1 1 269.388 3.469 10 0 CGAEMO CCOc1ccc([C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044113729 175141055 /nfs/dbraw/zinc/14/10/55/175141055.db2.gz HIRILQCZMQBQQV-JKIFEVAISA-N 1 1 277.408 3.097 10 0 CGAEMO Cc1[nH]c2c(cc(C)cc2CNc2nc(N)cc[nH+]2)c1C ZINC000071760223 176261183 /nfs/dbraw/zinc/26/11/83/176261183.db2.gz FBJPDPJPAKBVNK-UHFFFAOYSA-N 1 1 281.363 3.077 10 0 CGAEMO CC[C@H](C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000263615761 416524032 /nfs/dbraw/zinc/52/40/32/416524032.db2.gz FCLAAKQIHWIKQY-YVSFHVDLSA-N 1 1 287.403 3.349 10 0 CGAEMO C[C@@H]([NH2+]Cc1cnns1)c1cccc(Br)c1 ZINC000309807400 416530077 /nfs/dbraw/zinc/53/00/77/416530077.db2.gz YBAROECOYUWKIZ-MRVPVSSYSA-N 1 1 298.209 3.151 10 0 CGAEMO C[C@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CCS1 ZINC000131385889 287377900 /nfs/dbraw/zinc/37/79/00/287377900.db2.gz UOCGPGHCABOFGF-JDGPPOGSSA-N 1 1 251.370 3.276 10 0 CGAEMO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc(F)c(F)c1F ZINC000657346875 419256657 /nfs/dbraw/zinc/25/66/57/419256657.db2.gz OZNDEQJOFHFWTC-LBPRGKRZSA-N 1 1 288.357 3.170 10 0 CGAEMO C[C@H](CO)[C@@H]1CCCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000661445080 419261722 /nfs/dbraw/zinc/26/17/22/419261722.db2.gz YWIFZJXJXDUDDB-MCIONIFRSA-N 1 1 275.383 3.295 10 0 CGAEMO OCCC[C@@H]1CCC[N@H+]1CC/C=C\c1ccccc1 ZINC000323284263 260845873 /nfs/dbraw/zinc/84/58/73/260845873.db2.gz JTZRDYGZRNMOIX-JDZBVEAQSA-N 1 1 259.393 3.327 10 0 CGAEMO C[C@H](COCc1ccccc1)Nc1cc[nH+]cc1Cl ZINC000390668400 262237200 /nfs/dbraw/zinc/23/72/00/262237200.db2.gz WPGQMPYVWOBRRU-GFCCVEGCSA-N 1 1 276.767 3.174 10 0 CGAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H]1CCCCC1(F)F ZINC000390863453 262355876 /nfs/dbraw/zinc/35/58/76/262355876.db2.gz CIRCDUWFRDOGBJ-ZNMIVQPWSA-N 1 1 286.410 3.371 10 0 CGAEMO O[C@@H]1CC[C@H]2C[N@@H+](CCCCc3ccccc3)C[C@@H]2C1 ZINC000399006503 288049028 /nfs/dbraw/zinc/04/90/28/288049028.db2.gz OYIKXRYMFPQGFS-OKZBNKHCSA-N 1 1 273.420 3.102 10 0 CGAEMO CC(C)C[C@H](C)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000306007792 279095728 /nfs/dbraw/zinc/09/57/28/279095728.db2.gz WIIRRDCHIKHHTR-XHSDSOJGSA-N 1 1 253.430 3.296 10 0 CGAEMO C[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@H]1c1ccccc1 ZINC000248074612 290132752 /nfs/dbraw/zinc/13/27/52/290132752.db2.gz QVGFJNRNKUBGMA-IAGOWNOFSA-N 1 1 286.419 3.128 10 0 CGAEMO FC(F)(F)[C@H]1CC[N@H+](C2CCC2)CC12CCOCC2 ZINC000334636745 303117611 /nfs/dbraw/zinc/11/76/11/303117611.db2.gz FQIWZCLSRISQEH-LBPRGKRZSA-N 1 1 277.330 3.220 10 0 CGAEMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccs1 ZINC000194216754 336009698 /nfs/dbraw/zinc/00/96/98/336009698.db2.gz JGXIQKGGPPEISZ-XBFCOCLRSA-N 1 1 279.405 3.054 10 0 CGAEMO CC[NH2+][C@H](c1cnccn1)c1cc(Cl)ccc1Cl ZINC000055224612 520212817 /nfs/dbraw/zinc/21/28/17/520212817.db2.gz OLFRHYIWRZNCTM-ZDUSSCGKSA-N 1 1 282.174 3.482 10 0 CGAEMO CCN(Cc1occc1C[NH2+]C)Cc1ccccc1 ZINC000052443741 521469998 /nfs/dbraw/zinc/46/99/98/521469998.db2.gz SLDCTHAIZRNCLB-UHFFFAOYSA-N 1 1 258.365 3.021 10 0 CGAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)cc1 ZINC000088559862 522519206 /nfs/dbraw/zinc/51/92/06/522519206.db2.gz HUIJTRYAHCSHBF-BXUZGUMPSA-N 1 1 288.370 3.165 10 0 CGAEMO CNc1ccc(C[N@@H+](C)Cc2ccccc2C)cn1 ZINC000050816972 522608013 /nfs/dbraw/zinc/60/80/13/522608013.db2.gz OKWUNUNTHVIYBD-UHFFFAOYSA-N 1 1 255.365 3.064 10 0 CGAEMO CCn1c(C)nnc1C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000183708706 523153720 /nfs/dbraw/zinc/15/37/20/523153720.db2.gz YUPVDDTVDVZNTO-ZDUSSCGKSA-N 1 1 272.396 3.074 10 0 CGAEMO C[C@H](CC[NH2+]C1CC1)N(C)Cc1cccc(Cl)c1 ZINC000052508314 524192857 /nfs/dbraw/zinc/19/28/57/524192857.db2.gz SFOZQHRTNIWVOA-GFCCVEGCSA-N 1 1 266.816 3.302 10 0 CGAEMO Cc1ccc(C[N@H+]2C[C@@H](C(C)C)NC[C@@H]2C(C)C)cc1 ZINC000062668236 524480327 /nfs/dbraw/zinc/48/03/27/524480327.db2.gz XAHSHBLLKHMEHG-ZWKOTPCHSA-N 1 1 274.452 3.449 10 0 CGAEMO Cc1ccc(C[N@@H+]2C[C@@H](C(C)C)NC[C@@H]2C(C)C)cc1 ZINC000062668236 524480334 /nfs/dbraw/zinc/48/03/34/524480334.db2.gz XAHSHBLLKHMEHG-ZWKOTPCHSA-N 1 1 274.452 3.449 10 0 CGAEMO [NH3+]C[C@@H](c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000061608811 527207447 /nfs/dbraw/zinc/20/74/47/527207447.db2.gz CAIPALXYACJCBK-GFCCVEGCSA-N 1 1 271.751 3.307 10 0 CGAEMO Cc1[nH+]ccn1CCOc1c(Cl)cc(N)cc1Cl ZINC000049329266 527433100 /nfs/dbraw/zinc/43/31/00/527433100.db2.gz RWFNXOIYSWNEGE-UHFFFAOYSA-N 1 1 286.162 3.160 10 0 CGAEMO CCCC[C@@H](C(=O)OC)[NH+]1CCC(c2nccs2)CC1 ZINC000368943895 528746670 /nfs/dbraw/zinc/74/66/70/528746670.db2.gz HZFNGHKOYOKJIL-ZDUSSCGKSA-N 1 1 296.436 3.054 10 0 CGAEMO CCCc1nc(C[N@@H+]2C[C@H](c3cccs3)C[C@H]2C)no1 ZINC000366647997 528749545 /nfs/dbraw/zinc/74/95/45/528749545.db2.gz ZAYCHYILCGJSPN-VXGBXAGGSA-N 1 1 291.420 3.462 10 0 CGAEMO CCCc1nc(C[N@H+]2C[C@H](c3cccs3)C[C@H]2C)no1 ZINC000366647997 528749549 /nfs/dbraw/zinc/74/95/49/528749549.db2.gz ZAYCHYILCGJSPN-VXGBXAGGSA-N 1 1 291.420 3.462 10 0 CGAEMO CCCCC[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000177321684 617926870 /nfs/dbraw/zinc/92/68/70/617926870.db2.gz LXAKVWMZORZDLG-LSDHHAIUSA-N 1 1 283.460 3.081 10 0 CGAEMO Cc1[nH+]cn(-c2cc(Br)ccc2C=O)c1C ZINC000051927223 618802960 /nfs/dbraw/zinc/80/29/60/618802960.db2.gz PFZYBVZLUKILJD-UHFFFAOYSA-N 1 1 279.137 3.064 10 0 CGAEMO CC1(C)CCC[N@H+]1C[C@H](O)c1cc2ccccc2o1 ZINC000063072361 623292024 /nfs/dbraw/zinc/29/20/24/623292024.db2.gz PGMYRYCALPLVKX-ZDUSSCGKSA-N 1 1 259.349 3.341 10 0 CGAEMO Cc1csc([C@@H]2CCC[N@H+](Cn3cc[nH]c3=S)C2)n1 ZINC000173613308 623332340 /nfs/dbraw/zinc/33/23/40/623332340.db2.gz GRTHTYMGEFTRKS-LLVKDONJSA-N 1 1 294.449 3.148 10 0 CGAEMO Cc1csc([C@@H]2CCC[N@@H+](Cn3cc[nH]c3=S)C2)n1 ZINC000173613308 623332347 /nfs/dbraw/zinc/33/23/47/623332347.db2.gz GRTHTYMGEFTRKS-LLVKDONJSA-N 1 1 294.449 3.148 10 0 CGAEMO CCC[N@H+]1CCC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000757572992 630621905 /nfs/dbraw/zinc/62/19/05/630621905.db2.gz WPVFKUOWFUZNRQ-ZDUSSCGKSA-N 1 1 251.345 3.424 10 0 CGAEMO C[C@@H]([NH2+]CC[S@](C)=O)c1c(Cl)ccc(F)c1Cl ZINC000131409166 636653210 /nfs/dbraw/zinc/65/32/10/636653210.db2.gz AGRXUNBXBFZZME-IWEMQMMOSA-N 1 1 298.210 3.162 10 0 CGAEMO CCC[C@H]([NH3+])c1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000088713775 640622331 /nfs/dbraw/zinc/62/23/31/640622331.db2.gz CGHWWBSMSNJKPQ-NSHDSACASA-N 1 1 299.296 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YRUITJFBUQSUET-HNAYVOBHSA-N 1 1 296.414 3.111 10 0 CGAEMO CCc1csc([C@H]2CCC[N@@H+](C[C@H]3CCCCO3)C2)n1 ZINC000249881269 377539009 /nfs/dbraw/zinc/53/90/09/377539009.db2.gz NORHZVFDJQGYKO-DZGCQCFKSA-N 1 1 294.464 3.454 10 0 CGAEMO CC(C)c1nc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cs1 ZINC000250472750 377560501 /nfs/dbraw/zinc/56/05/01/377560501.db2.gz SACZXAPCDLJCSD-BBRMVZONSA-N 1 1 294.464 3.394 10 0 CGAEMO CC(C)c1nc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cs1 ZINC000250472750 377560510 /nfs/dbraw/zinc/56/05/10/377560510.db2.gz SACZXAPCDLJCSD-BBRMVZONSA-N 1 1 294.464 3.394 10 0 CGAEMO CCCCc1nc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cs1 ZINC000252443612 377622119 /nfs/dbraw/zinc/62/21/19/377622119.db2.gz DBGBFIONOZSRSZ-UKRRQHHQSA-N 1 1 293.480 3.154 10 0 CGAEMO CC(C)(C)c1cnc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)o1 ZINC000252476000 377626093 /nfs/dbraw/zinc/62/60/93/377626093.db2.gz WSWPXKJDVHSLFF-SUMWQHHRSA-N 1 1 292.423 3.099 10 0 CGAEMO CC(C)(C)c1cnc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)o1 ZINC000252476000 377626096 /nfs/dbraw/zinc/62/60/96/377626096.db2.gz WSWPXKJDVHSLFF-SUMWQHHRSA-N 1 1 292.423 3.099 10 0 CGAEMO C[C@H]1CN2CCCC[C@H]2C[N@H+]1CCCOc1ccccc1 ZINC000252661464 377646677 /nfs/dbraw/zinc/64/66/77/377646677.db2.gz KUBBGRMWNDGALM-IRXDYDNUSA-N 1 1 288.435 3.014 10 0 CGAEMO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCCOc1ccccc1 ZINC000252661464 377646686 /nfs/dbraw/zinc/64/66/86/377646686.db2.gz KUBBGRMWNDGALM-IRXDYDNUSA-N 1 1 288.435 3.014 10 0 CGAEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCCOc1ccccc1 ZINC000252661464 377646696 /nfs/dbraw/zinc/64/66/96/377646696.db2.gz KUBBGRMWNDGALM-IRXDYDNUSA-N 1 1 288.435 3.014 10 0 CGAEMO Cc1ccc(C[N@@H+]2C[C@@H]3CCCCN3C[C@H]2C)cc1 ZINC000252662070 377647690 /nfs/dbraw/zinc/64/76/90/377647690.db2.gz UCMUEQHATBJONE-WBVHZDCISA-N 1 1 258.409 3.054 10 0 CGAEMO Cc1ccc(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1 ZINC000252662070 377647693 /nfs/dbraw/zinc/64/76/93/377647693.db2.gz UCMUEQHATBJONE-WBVHZDCISA-N 1 1 258.409 3.054 10 0 CGAEMO Cc1ccc(CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc1 ZINC000252662070 377647699 /nfs/dbraw/zinc/64/76/99/377647699.db2.gz UCMUEQHATBJONE-WBVHZDCISA-N 1 1 258.409 3.054 10 0 CGAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(C(F)(F)F)c1 ZINC000252672496 377648104 /nfs/dbraw/zinc/64/81/04/377648104.db2.gz AQXHLLCWZIGBNU-WFASDCNBSA-N 1 1 298.352 3.374 10 0 CGAEMO Cc1ncsc1CC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253099761 377675673 /nfs/dbraw/zinc/67/56/73/377675673.db2.gz VMYLJMBHLCDUFD-RRFJBIMHSA-N 1 1 294.464 3.010 10 0 CGAEMO OC[C@H]1CCCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000371067867 379103365 /nfs/dbraw/zinc/10/33/65/379103365.db2.gz ZXKGHOUBUCABIM-LBPRGKRZSA-N 1 1 290.794 3.487 10 0 CGAEMO OC[C@@H]1CCCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000374052595 379369809 /nfs/dbraw/zinc/36/98/09/379369809.db2.gz SFWGZVSTJGMPCV-LLVKDONJSA-N 1 1 271.763 3.074 10 0 CGAEMO Cc1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1C ZINC000245777783 542323744 /nfs/dbraw/zinc/32/37/44/542323744.db2.gz SVYCIQLORBWYPJ-ROUUACIJSA-N 1 1 273.420 3.430 10 0 CGAEMO C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H]2Cn2ccnc2)C1 ZINC000249463557 542339947 /nfs/dbraw/zinc/33/99/47/542339947.db2.gz GEMQZIMKUWJHRJ-OAGGEKHMSA-N 1 1 261.413 3.174 10 0 CGAEMO C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000249462582 542339966 /nfs/dbraw/zinc/33/99/66/542339966.db2.gz FUUZTIDQHWSCNC-AEFFLSMTSA-N 1 1 283.419 3.226 10 0 CGAEMO C(=C\c1ccccc1)\C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000255674476 542353653 /nfs/dbraw/zinc/35/36/53/542353653.db2.gz WREUYFOJQFCTML-GNJLHFKMSA-N 1 1 280.371 3.248 10 0 CGAEMO O[C@H](C[N@H+]1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000158471715 285351337 /nfs/dbraw/zinc/35/13/37/285351337.db2.gz JZIHLBWZJBQQKV-QWHCGFSZSA-N 1 1 279.346 3.202 10 0 CGAEMO CCCN1CCC([NH2+][C@@H](C)COCc2ccccc2)CC1 ZINC000390594643 542611373 /nfs/dbraw/zinc/61/13/73/542611373.db2.gz RYDXFDOJMHAAKN-INIZCTEOSA-N 1 1 290.451 3.056 10 0 CGAEMO Cc1csc(C[NH2+][C@H]2CCOc3ccccc32)n1 ZINC000038090598 391982878 /nfs/dbraw/zinc/98/28/78/391982878.db2.gz IXGLKDMJSHLZOO-LBPRGKRZSA-N 1 1 260.362 3.065 10 0 CGAEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC2CCCCCC2)o1 ZINC000048695651 392009525 /nfs/dbraw/zinc/00/95/25/392009525.db2.gz IFZUTHSGPKUXBI-CYBMUJFWSA-N 1 1 278.396 3.078 10 0 CGAEMO CC[C@H](c1ccccc1)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105800400 392294345 /nfs/dbraw/zinc/29/43/45/392294345.db2.gz VVYKBKKSGZZGAQ-QGZVFWFLSA-N 1 1 296.418 3.140 10 0 CGAEMO c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245514895 131086478 /nfs/dbraw/zinc/08/64/78/131086478.db2.gz GSKLHCIRACRQPE-IAGOWNOFSA-N 1 1 297.402 3.220 10 0 CGAEMO CCS[C@@H]1CCCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000153697671 392525659 /nfs/dbraw/zinc/52/56/59/392525659.db2.gz KFDMKXMULHHFOH-OAHLLOKOSA-N 1 1 270.486 3.080 10 0 CGAEMO CCS[C@@H]1CCCC[N@H+](CCCN2CCCC2)C1 ZINC000153697671 392525667 /nfs/dbraw/zinc/52/56/67/392525667.db2.gz KFDMKXMULHHFOH-OAHLLOKOSA-N 1 1 270.486 3.080 10 0 CGAEMO CCS[C@@H]1CCCC[N@@H+](CCCN2CCCC2)C1 ZINC000153697671 392525673 /nfs/dbraw/zinc/52/56/73/392525673.db2.gz KFDMKXMULHHFOH-OAHLLOKOSA-N 1 1 270.486 3.080 10 0 CGAEMO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1C ZINC000164699240 392607276 /nfs/dbraw/zinc/60/72/76/392607276.db2.gz BWKOKUPNORYNOT-DZGCQCFKSA-N 1 1 270.380 3.081 10 0 CGAEMO CC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1cccc(F)c1 ZINC000188228026 392797708 /nfs/dbraw/zinc/79/77/08/392797708.db2.gz UFGFJBBKSAVZNO-GJZGRUSLSA-N 1 1 288.370 3.301 10 0 CGAEMO C[C@H](c1cccs1)[N@@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000383532803 392922222 /nfs/dbraw/zinc/92/22/22/392922222.db2.gz RLOUTGUJKRNPIS-JHJVBQTASA-N 1 1 253.411 3.292 10 0 CGAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(C(F)(F)F)cc1 ZINC000252675281 393125821 /nfs/dbraw/zinc/12/58/21/393125821.db2.gz ZDYVEYMWTVRHJU-WFASDCNBSA-N 1 1 298.352 3.374 10 0 CGAEMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCCOC(C)(C)C ZINC000674911022 543306143 /nfs/dbraw/zinc/30/61/43/543306143.db2.gz SMROQAQCRQZLEF-CVEARBPZSA-N 1 1 282.472 3.140 10 0 CGAEMO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCCOC(C)(C)C ZINC000674911022 543306144 /nfs/dbraw/zinc/30/61/44/543306144.db2.gz SMROQAQCRQZLEF-CVEARBPZSA-N 1 1 282.472 3.140 10 0 CGAEMO CC[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCCOC(C)(C)C ZINC000674911022 543306145 /nfs/dbraw/zinc/30/61/45/543306145.db2.gz SMROQAQCRQZLEF-CVEARBPZSA-N 1 1 282.472 3.140 10 0 CGAEMO CC[C@H]1C[NH+](CCOc2cncc(Cl)c2)C[C@H](CC)O1 ZINC000675075953 543313571 /nfs/dbraw/zinc/31/35/71/543313571.db2.gz HGMLYTMLIFUSBS-KBPBESRZSA-N 1 1 298.814 3.003 10 0 CGAEMO C[N@@H+](CCOc1cncc(Cl)c1)C1CCCCC1 ZINC000675075718 543313223 /nfs/dbraw/zinc/31/32/23/543313223.db2.gz DOWILJLJXHLGMI-UHFFFAOYSA-N 1 1 268.788 3.378 10 0 CGAEMO Brc1cccc(C[N@H+]2C[C@H]3CCC[C@H]32)c1 ZINC000676705811 543410647 /nfs/dbraw/zinc/41/06/47/543410647.db2.gz XZCKHNUVYSXYJD-DGCLKSJQSA-N 1 1 266.182 3.433 10 0 CGAEMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1nnc(C2CC2)n1C ZINC000072775696 165073777 /nfs/dbraw/zinc/07/37/77/165073777.db2.gz VBZRVBFCOCPFHQ-JSGCOSHPSA-N 1 1 276.428 3.093 10 0 CGAEMO COc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3ccon3)C2)cc1 ZINC000077318262 165121781 /nfs/dbraw/zinc/12/17/81/165121781.db2.gz QKMAKQXQZGZOBX-OCCSQVGLSA-N 1 1 272.348 3.061 10 0 CGAEMO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C)nc32)s1 ZINC000090226600 165230415 /nfs/dbraw/zinc/23/04/15/165230415.db2.gz AVKCLHAZVGOZLH-ZWNOBZJWSA-N 1 1 290.436 3.396 10 0 CGAEMO CC[C@@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1cccs1 ZINC000090223364 165233086 /nfs/dbraw/zinc/23/30/86/165233086.db2.gz QFVDRTUPBTYYOX-NEPJUHHUSA-N 1 1 276.409 3.224 10 0 CGAEMO Oc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000093868337 165338488 /nfs/dbraw/zinc/33/84/88/165338488.db2.gz JTDNLXXEIPEFFM-PKOBYXMFSA-N 1 1 297.398 3.480 10 0 CGAEMO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(C)n2)cc1F ZINC000094837574 165392166 /nfs/dbraw/zinc/39/21/66/165392166.db2.gz VYCKHQYPQJTKAX-NSHDSACASA-N 1 1 259.328 3.083 10 0 CGAEMO CCn1c(C)nnc1C[N@@H+](CC)[C@H]1CCCC[C@@H]1C ZINC000120055383 287177378 /nfs/dbraw/zinc/17/73/78/287177378.db2.gz DJWTXJOFJSJSBX-JSGCOSHPSA-N 1 1 264.417 3.007 10 0 CGAEMO CC1CC[NH+](CC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000006737054 170236408 /nfs/dbraw/zinc/23/64/08/170236408.db2.gz DLQDBNTZSUFHLF-UHFFFAOYSA-N 1 1 256.349 3.083 10 0 CGAEMO Nc1ccc2c(c1)[nH+]cn2Cc1ccc(Cl)cc1 ZINC000008699368 170346361 /nfs/dbraw/zinc/34/63/61/170346361.db2.gz CKEAJFFHSJHTLM-UHFFFAOYSA-N 1 1 257.724 3.320 10 0 CGAEMO CC(C)C[N@@H+](C)[C@H](CN)c1ccc(Br)cc1 ZINC000020226525 171090817 /nfs/dbraw/zinc/09/08/17/171090817.db2.gz IJGQDCJFVQUFOK-CYBMUJFWSA-N 1 1 285.229 3.037 10 0 CGAEMO CC(C)CN(C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226525 171090819 /nfs/dbraw/zinc/09/08/19/171090819.db2.gz IJGQDCJFVQUFOK-CYBMUJFWSA-N 1 1 285.229 3.037 10 0 CGAEMO C[C@@H]([NH2+]Cc1ccccc1Cl)C(=O)N1CCCCCC1 ZINC000020315203 171145885 /nfs/dbraw/zinc/14/58/85/171145885.db2.gz JJGHBJXYQLYRHL-CYBMUJFWSA-N 1 1 294.826 3.221 10 0 CGAEMO [NH3+][C@@H](c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 ZINC000020369114 171167132 /nfs/dbraw/zinc/16/71/32/171167132.db2.gz IERNYKJGWNTPLM-QGZVFWFLSA-N 1 1 281.311 3.252 10 0 CGAEMO CC(C)[N@H+]1CCc2nc(-c3cccc(O)c3)sc2C1 ZINC000020432989 171197705 /nfs/dbraw/zinc/19/77/05/171197705.db2.gz VXDNIOXCCZMZEI-UHFFFAOYSA-N 1 1 274.389 3.282 10 0 CGAEMO [NH3+][C@H](Cc1ccccc1)c1nc(-c2cccs2)no1 ZINC000020553368 171248799 /nfs/dbraw/zinc/24/87/99/171248799.db2.gz KCOOLWLGSZQLCJ-LLVKDONJSA-N 1 1 271.345 3.041 10 0 CGAEMO CCCc1ccc([C@@H]([NH3+])CN2CCC(C)CC2)cc1 ZINC000021499776 171304397 /nfs/dbraw/zinc/30/43/97/171304397.db2.gz GHUOKXODQDMUGF-KRWDZBQOSA-N 1 1 260.425 3.371 10 0 CGAEMO CC1CCN([C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])CC1 ZINC000021805093 171327040 /nfs/dbraw/zinc/32/70/40/171327040.db2.gz ANKYCEOCRDQYOH-KKUMJFAQSA-N 1 1 252.446 3.260 10 0 CGAEMO COc1ccc([C@@H]([NH3+])c2cc3ccccc3o2)cc1 ZINC000021948748 171338724 /nfs/dbraw/zinc/33/87/24/171338724.db2.gz LJUYWGHCZOSZHE-MRXNPFEDSA-N 1 1 253.301 3.490 10 0 CGAEMO C[N@H+]([C@H](CN)c1ccc(F)c(F)c1)C1CCCCC1 ZINC000022170517 171367681 /nfs/dbraw/zinc/36/76/81/171367681.db2.gz KKDXQZXOJWRPEW-OAHLLOKOSA-N 1 1 268.351 3.229 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CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000245915401 131089973 /nfs/dbraw/zinc/08/99/73/131089973.db2.gz QRTYVZJOZMIZBP-ABAIWWIYSA-N 1 1 296.361 3.016 10 0 CGAEMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1ccc3ccccc3n1)CC2 ZINC000247969966 131108696 /nfs/dbraw/zinc/10/86/96/131108696.db2.gz IWOFJJAVPMNYEY-LPHOPBHVSA-N 1 1 296.414 3.362 10 0 CGAEMO OC[C@@H]1C[N@@H+](C[C@@H]2CC=CCC2)C[C@H]1c1ccsc1 ZINC000250057411 131123989 /nfs/dbraw/zinc/12/39/89/131123989.db2.gz MNNKRFWHZYNYML-KBMXLJTQSA-N 1 1 277.433 3.112 10 0 CGAEMO Cc1ccc([C@@H]2CCCC[N@H+]2CC[C@H]2CCOC2=O)o1 ZINC000252659275 131136126 /nfs/dbraw/zinc/13/61/26/131136126.db2.gz MCNFFOOIEQXFOJ-KBPBESRZSA-N 1 1 277.364 3.068 10 0 CGAEMO Cn1cc([C@@H]2CCC[N@H+]2CCc2ccc(F)c(F)c2)cn1 ZINC000152034518 392493588 /nfs/dbraw/zinc/49/35/88/392493588.db2.gz CPLIMCDTFQJIHW-INIZCTEOSA-N 1 1 291.345 3.078 10 0 CGAEMO C[C@H]1CCC[N@H+]1C1CCN(c2ncnc3ccccc32)CC1 ZINC000301768929 392598087 /nfs/dbraw/zinc/59/80/87/392598087.db2.gz IGPDNKAAFAMULS-AWEZNQCLSA-N 1 1 296.418 3.083 10 0 CGAEMO C[C@H]1CCC[N@H+]1C1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000301868798 392598984 /nfs/dbraw/zinc/59/89/84/392598984.db2.gz HZFJKQVHQPAPDU-ZDUSSCGKSA-N 1 1 284.407 3.016 10 0 CGAEMO CCn1c(C)nnc1C[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183467815 392757089 /nfs/dbraw/zinc/75/70/89/392757089.db2.gz DZPLVLZLTZXAMU-INIZCTEOSA-N 1 1 298.434 3.213 10 0 CGAEMO CC(C)[C@](C)(O)C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000186952333 392786305 /nfs/dbraw/zinc/78/63/05/392786305.db2.gz URDYACOYDGCUMQ-JKSUJKDBSA-N 1 1 297.826 3.120 10 0 CGAEMO CC(C)[C@](C)(O)C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000186952333 392786308 /nfs/dbraw/zinc/78/63/08/392786308.db2.gz URDYACOYDGCUMQ-JKSUJKDBSA-N 1 1 297.826 3.120 10 0 CGAEMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000381900871 392915227 /nfs/dbraw/zinc/91/52/27/392915227.db2.gz RHVRKHCWAWVPIV-GRYCIOLGSA-N 1 1 279.346 3.200 10 0 CGAEMO C[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000400805044 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ZINC000092973559 165322055 /nfs/dbraw/zinc/32/20/55/165322055.db2.gz HSEYTXLCPWIRGN-INIZCTEOSA-N 1 1 270.376 3.367 10 0 CGAEMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1c(C)nn(C)c1OC ZINC000093845200 165339092 /nfs/dbraw/zinc/33/90/92/165339092.db2.gz GAJYKNJPHGNYFS-IUODEOHRSA-N 1 1 279.428 3.138 10 0 CGAEMO Cc1ccsc1C[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000094885327 165394726 /nfs/dbraw/zinc/39/47/26/165394726.db2.gz YIKFUDILQCIHAS-KBPBESRZSA-N 1 1 264.438 3.115 10 0 CGAEMO Cc1ccsc1CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094885327 165394728 /nfs/dbraw/zinc/39/47/28/165394728.db2.gz YIKFUDILQCIHAS-KBPBESRZSA-N 1 1 264.438 3.115 10 0 CGAEMO Cc1ccsc1CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094885327 165394733 /nfs/dbraw/zinc/39/47/33/165394733.db2.gz YIKFUDILQCIHAS-KBPBESRZSA-N 1 1 264.438 3.115 10 0 CGAEMO CC[C@H](Cc1ccccc1)[NH2+][C@H](CC(C)C)C(=O)OC ZINC000116384080 287157151 /nfs/dbraw/zinc/15/71/51/287157151.db2.gz BSSZPSKJJNMBSI-HZPDHXFCSA-N 1 1 277.408 3.185 10 0 CGAEMO CC[N@@H+](Cc1ccccc1Cl)C[C@@](C)(O)CC ZINC000123388782 287219265 /nfs/dbraw/zinc/21/92/65/287219265.db2.gz BLHCEEGNISABOS-AWEZNQCLSA-N 1 1 255.789 3.323 10 0 CGAEMO CC[N@@H+]1CCC[C@@H](NCc2cccc(Cl)c2F)C1 ZINC000125122173 287240259 /nfs/dbraw/zinc/24/02/59/287240259.db2.gz SRAJFGTXPQPJLA-GFCCVEGCSA-N 1 1 270.779 3.053 10 0 CGAEMO CC[N@H+]1CCC[C@@H](NCc2cccc(Cl)c2F)C1 ZINC000125122173 287240260 /nfs/dbraw/zinc/24/02/60/287240260.db2.gz SRAJFGTXPQPJLA-GFCCVEGCSA-N 1 1 270.779 3.053 10 0 CGAEMO C[C@H](NCc1ccccc1C[NH+](C)C)c1ccco1 ZINC000020128630 171015260 /nfs/dbraw/zinc/01/52/60/171015260.db2.gz SQDRAQLUZJBLMT-ZDUSSCGKSA-N 1 1 258.365 3.192 10 0 CGAEMO C[N@@H+](CCCc1cccc(N)c1)Cc1ccccc1 ZINC000020192255 171058375 /nfs/dbraw/zinc/05/83/75/171058375.db2.gz ROFDXBHUZHOCKW-UHFFFAOYSA-N 1 1 254.377 3.333 10 0 CGAEMO CC[N@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2N)C1 ZINC000020352082 171155882 /nfs/dbraw/zinc/15/58/82/171155882.db2.gz KCYOPUSNECEHKZ-NSHDSACASA-N 1 1 288.313 3.151 10 0 CGAEMO Cc1ccc(N[C@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC000020440330 171204374 /nfs/dbraw/zinc/20/43/74/171204374.db2.gz LIAPZYAGLAMNPF-AWEZNQCLSA-N 1 1 295.224 3.264 10 0 CGAEMO C[N@H+](Cc1cccc(F)c1)C1(CN)CCCCCC1 ZINC000021787650 171322847 /nfs/dbraw/zinc/32/28/47/171322847.db2.gz TVVZOYZMGJDRHC-UHFFFAOYSA-N 1 1 264.388 3.309 10 0 CGAEMO C[N@@H+](Cc1cccc(F)c1)C1(CN)CCCCCC1 ZINC000021787650 171322848 /nfs/dbraw/zinc/32/28/48/171322848.db2.gz TVVZOYZMGJDRHC-UHFFFAOYSA-N 1 1 264.388 3.309 10 0 CGAEMO C[C@@H]1CCC[C@H](C)C1[NH2+]CCCN1CCCCC1 ZINC000021800796 171325892 /nfs/dbraw/zinc/32/58/92/171325892.db2.gz IXVRAPMLWUDGIG-XYPWUTKMSA-N 1 1 252.446 3.277 10 0 CGAEMO Cc1ccc(N)cc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000022168092 171366899 /nfs/dbraw/zinc/36/68/99/171366899.db2.gz YXKQHJNEAHGIDB-UHFFFAOYSA-N 1 1 289.423 3.170 10 0 CGAEMO C[N@@H+](C1CCCCC1)[C@@]1(CN)CCCc2ccccc21 ZINC000035176687 172029139 /nfs/dbraw/zinc/02/91/39/172029139.db2.gz JKWPECINVBZEDJ-GOSISDBHSA-N 1 1 272.436 3.441 10 0 CGAEMO FC(F)n1ccnc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000035221847 172064897 /nfs/dbraw/zinc/06/48/97/172064897.db2.gz JNVHETLGCOFXRX-ZDUSSCGKSA-N 1 1 277.318 3.445 10 0 CGAEMO C[NH2+][C@@H](c1ccccc1)c1c(F)cc(F)cc1F ZINC000035469418 172219643 /nfs/dbraw/zinc/21/96/43/172219643.db2.gz NVMDMJHSCCEIGF-AWEZNQCLSA-N 1 1 251.251 3.413 10 0 CGAEMO CC[NH2+][C@H](c1occc1C)c1cc(F)ccc1OC ZINC000035554298 172260959 /nfs/dbraw/zinc/26/09/59/172260959.db2.gz LGOJKKKRNKQOBG-AWEZNQCLSA-N 1 1 263.312 3.435 10 0 CGAEMO Cc1c2cc(C)ccc2oc1[C@@H]([NH3+])c1cccnc1 ZINC000035630529 172312351 /nfs/dbraw/zinc/31/23/51/172312351.db2.gz FGACDBBVYQMMFR-HNNXBMFYSA-N 1 1 252.317 3.493 10 0 CGAEMO CCCCC[N@H+](C)CC(=O)c1cc(C)n(CC)c1C ZINC000037336922 173137531 /nfs/dbraw/zinc/13/75/31/173137531.db2.gz RKVAGSVJFCXKEU-UHFFFAOYSA-N 1 1 264.413 3.430 10 0 CGAEMO CCCCC[N@@H+](C)CC(=O)c1cc(C)n(CC)c1C ZINC000037336922 173137534 /nfs/dbraw/zinc/13/75/34/173137534.db2.gz RKVAGSVJFCXKEU-UHFFFAOYSA-N 1 1 264.413 3.430 10 0 CGAEMO CCc1nc2cc([C@@H]([NH3+])c3ccccc3)ccc2[nH]1 ZINC000037400955 173178105 /nfs/dbraw/zinc/17/81/05/173178105.db2.gz RDVVPIMQYMEPQA-INIZCTEOSA-N 1 1 251.333 3.173 10 0 CGAEMO CCc1nc2cc([C@H]([NH3+])c3ccccc3)ccc2[nH]1 ZINC000037400953 173178278 /nfs/dbraw/zinc/17/82/78/173178278.db2.gz RDVVPIMQYMEPQA-MRXNPFEDSA-N 1 1 251.333 3.173 10 0 CGAEMO Cc1ccccc1OCC[N@H+]1CCc2c(N)cccc2C1 ZINC000038032819 174029627 /nfs/dbraw/zinc/02/96/27/174029627.db2.gz KGQOAXPSXPGHAW-UHFFFAOYSA-N 1 1 282.387 3.014 10 0 CGAEMO CCn1c(C[NH2+][C@H](C)c2ccncc2)nc2ccccc21 ZINC000038046651 174054959 /nfs/dbraw/zinc/05/49/59/174054959.db2.gz MZLXPZNNPYDTSQ-CYBMUJFWSA-N 1 1 280.375 3.302 10 0 CGAEMO CCCOc1ccc([C@H](CN)[NH+]2CCC(C)CC2)cc1 ZINC000039789145 174173224 /nfs/dbraw/zinc/17/32/24/174173224.db2.gz LQGIJKOZLSFDNR-KRWDZBQOSA-N 1 1 276.424 3.207 10 0 CGAEMO CC[N@@H+](CCC(N)=S)Cc1cccc2ccccc21 ZINC000042452691 174745391 /nfs/dbraw/zinc/74/53/91/174745391.db2.gz OKXJWXUMZJGSDL-UHFFFAOYSA-N 1 1 272.417 3.338 10 0 CGAEMO [NH3+]Cc1ccc2[nH]c(-c3ccccc3Cl)nc2c1 ZINC000071583175 176208219 /nfs/dbraw/zinc/20/82/19/176208219.db2.gz BQJVXLHPZORNSJ-UHFFFAOYSA-N 1 1 257.724 3.342 10 0 CGAEMO O[C@H]1CCC[C@H](C[N@H+]2CCC3(C2)CCCCC3)C1 ZINC000310981327 416532657 /nfs/dbraw/zinc/53/26/57/416532657.db2.gz JSRHRMHVQKFXLZ-GJZGRUSLSA-N 1 1 251.414 3.194 10 0 CGAEMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[C@H](O)C2)s1 ZINC000659875981 419026079 /nfs/dbraw/zinc/02/60/79/419026079.db2.gz UJHXDCDEBDZPAD-OLZOCXBDSA-N 1 1 253.411 3.039 10 0 CGAEMO CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)c1ccccc1F ZINC000037167094 270028755 /nfs/dbraw/zinc/02/87/55/270028755.db2.gz HGFOPODHEKUGDY-UONOGXRCSA-N 1 1 266.404 3.453 10 0 CGAEMO Cc1ccccc1[C@H](NCC[NH+](C)C)c1ccccc1 ZINC000105689715 270047962 /nfs/dbraw/zinc/04/79/62/270047962.db2.gz QZJKMLQFJYVXQP-GOSISDBHSA-N 1 1 268.404 3.236 10 0 CGAEMO CCC[C@H](C)[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000187670002 270069145 /nfs/dbraw/zinc/06/91/45/270069145.db2.gz LNSPONWLXCTRLD-RYUDHWBXSA-N 1 1 254.399 3.013 10 0 CGAEMO CCC[C@H](C)[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000187670002 270069146 /nfs/dbraw/zinc/06/91/46/270069146.db2.gz LNSPONWLXCTRLD-RYUDHWBXSA-N 1 1 254.399 3.013 10 0 CGAEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C)ccc2C)o1 ZINC000193636151 270079474 /nfs/dbraw/zinc/07/94/74/270079474.db2.gz RDYYQKILDPSDDE-CQSZACIVSA-N 1 1 286.375 3.494 10 0 CGAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C2CCCCC2)o1 ZINC000194022283 270080822 /nfs/dbraw/zinc/08/08/22/270080822.db2.gz OEHHACJZAQAUHG-ZIAGYGMSSA-N 1 1 292.423 3.418 10 0 CGAEMO CCc1nnc(C[N@H+](Cc2ccccc2)[C@@H](C)CC)n1C ZINC000195430282 270084764 /nfs/dbraw/zinc/08/47/64/270084764.db2.gz ACLKGKZGYKGUJW-AWEZNQCLSA-N 1 1 286.423 3.178 10 0 CGAEMO CCc1nnc(C[N@@H+](Cc2ccccc2)[C@@H](C)CC)n1C ZINC000195430282 270084765 /nfs/dbraw/zinc/08/47/65/270084765.db2.gz ACLKGKZGYKGUJW-AWEZNQCLSA-N 1 1 286.423 3.178 10 0 CGAEMO Cc1cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c2cc(F)ccc2n1 ZINC000301678329 274713866 /nfs/dbraw/zinc/71/38/66/274713866.db2.gz QYSSPMRIFOFRRL-GTNSWQLSSA-N 1 1 287.382 3.069 10 0 CGAEMO c1cc2c(c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c1)OCCC2 ZINC000371484717 275064730 /nfs/dbraw/zinc/06/47/30/275064730.db2.gz GOHMJZVVMLJOEN-HUUCEWRRSA-N 1 1 272.392 3.050 10 0 CGAEMO c1cc2c(c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c1)OCCC2 ZINC000371484718 275064754 /nfs/dbraw/zinc/06/47/54/275064754.db2.gz GOHMJZVVMLJOEN-LSDHHAIUSA-N 1 1 272.392 3.050 10 0 CGAEMO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247586339 276283601 /nfs/dbraw/zinc/28/36/01/276283601.db2.gz ZRWWDLSTJUKIKC-MJBXVCDLSA-N 1 1 278.396 3.110 10 0 CGAEMO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247586339 276283603 /nfs/dbraw/zinc/28/36/03/276283603.db2.gz ZRWWDLSTJUKIKC-MJBXVCDLSA-N 1 1 278.396 3.110 10 0 CGAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000167873633 276694482 /nfs/dbraw/zinc/69/44/82/276694482.db2.gz JPPBWGDQLWOOJH-DZGCQCFKSA-N 1 1 284.407 3.335 10 0 CGAEMO C[N@H+]1CCC[C@H]1CCN1CCCC[C@@H]1c1nccs1 ZINC000163215662 277077988 /nfs/dbraw/zinc/07/79/88/277077988.db2.gz OXTSGZZUCSTCFC-UONOGXRCSA-N 1 1 279.453 3.154 10 0 CGAEMO CC(=O)Oc1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000123184683 277094099 /nfs/dbraw/zinc/09/40/99/277094099.db2.gz RKJBYZNIUCTQSR-KRWDZBQOSA-N 1 1 299.374 3.062 10 0 CGAEMO COc1cccc([C@H](C)[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000247931423 278021212 /nfs/dbraw/zinc/02/12/12/278021212.db2.gz CCHZKLUNUQLUAS-ZVZYQTTQSA-N 1 1 289.419 3.383 10 0 CGAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000245954341 279135432 /nfs/dbraw/zinc/13/54/32/279135432.db2.gz LPMFHQFEQPURNQ-OAUYIBNBSA-N 1 1 296.418 3.253 10 0 CGAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(C)c(C)s1 ZINC000246912369 281198362 /nfs/dbraw/zinc/19/83/62/281198362.db2.gz ILSDSHXEXFANDG-KBPBESRZSA-N 1 1 292.448 3.064 10 0 CGAEMO Cc1cccc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000301945830 281248375 /nfs/dbraw/zinc/24/83/75/281248375.db2.gz XHJWVWDTCCOVDK-WBVHZDCISA-N 1 1 281.403 3.465 10 0 CGAEMO CC1(C)C[C@H]1C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000536955296 330383100 /nfs/dbraw/zinc/38/31/00/330383100.db2.gz WFPILDZYOINVRW-KRWDZBQOSA-N 1 1 272.436 3.240 10 0 CGAEMO CC(C)C[C@@H]([NH2+]Cc1nnnn1C(C)C)c1ccccc1 ZINC000181801643 335786248 /nfs/dbraw/zinc/78/62/48/335786248.db2.gz KOBYALRTLWZPTH-OAHLLOKOSA-N 1 1 287.411 3.131 10 0 CGAEMO CCC1CCC([N@H+](C)Cc2ccc(CN)o2)CC1 ZINC000052345572 519853427 /nfs/dbraw/zinc/85/34/27/519853427.db2.gz XPABBHWHAGMSDH-UHFFFAOYSA-N 1 1 250.386 3.139 10 0 CGAEMO CCC1CCC([N@@H+](C)Cc2ccc(CN)o2)CC1 ZINC000052345572 519853428 /nfs/dbraw/zinc/85/34/28/519853428.db2.gz XPABBHWHAGMSDH-UHFFFAOYSA-N 1 1 250.386 3.139 10 0 CGAEMO CCCC[N@H+](Cc1cc(CNCC)no1)[C@@H](C)CC ZINC000052372689 520543679 /nfs/dbraw/zinc/54/36/79/520543679.db2.gz BYRZZYKGRMGNCK-ZDUSSCGKSA-N 1 1 267.417 3.185 10 0 CGAEMO CCCC[N@@H+](Cc1cc(CNCC)no1)[C@@H](C)CC ZINC000052372689 520543686 /nfs/dbraw/zinc/54/36/86/520543686.db2.gz BYRZZYKGRMGNCK-ZDUSSCGKSA-N 1 1 267.417 3.185 10 0 CGAEMO CC(C)C[N@H+]1C[C@@H](C(C)C)NC[C@@H]1Cc1ccccc1 ZINC000062668277 519732139 /nfs/dbraw/zinc/73/21/39/519732139.db2.gz VRLPTPSBXXVIOF-ROUUACIJSA-N 1 1 274.452 3.184 10 0 CGAEMO CC(C)CN1C[C@@H](C(C)C)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000062668277 519732140 /nfs/dbraw/zinc/73/21/40/519732140.db2.gz VRLPTPSBXXVIOF-ROUUACIJSA-N 1 1 274.452 3.184 10 0 CGAEMO CC(C)CSCCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000151785887 519767841 /nfs/dbraw/zinc/76/78/41/519767841.db2.gz CIQPEZPPGSOEMI-UHFFFAOYSA-N 1 1 281.469 3.368 10 0 CGAEMO CCC[NH2+]C[C@H](C)CN(C)[C@@H](C)c1cccs1 ZINC000052506515 519930275 /nfs/dbraw/zinc/93/02/75/519930275.db2.gz IPZAWKSRUJIUPY-STQMWFEESA-N 1 1 254.443 3.377 10 0 CGAEMO CC[NH2+]C[C@@H](C)CN(C)Cc1cccc(Cl)c1 ZINC000052507993 519943190 /nfs/dbraw/zinc/94/31/90/519943190.db2.gz KGFJVYAUVZWPBY-GFCCVEGCSA-N 1 1 254.805 3.017 10 0 CGAEMO CCCN[C@H]1CC[N@@H+]([C@@H](CC)C2CCCCC2)C1 ZINC000052340447 520094102 /nfs/dbraw/zinc/09/41/02/520094102.db2.gz FBWJOBSYCUOEHU-HOTGVXAUSA-N 1 1 252.446 3.419 10 0 CGAEMO CCCN[C@H]1CC[N@H+]([C@@H](CC)C2CCCCC2)C1 ZINC000052340447 520094108 /nfs/dbraw/zinc/09/41/08/520094108.db2.gz FBWJOBSYCUOEHU-HOTGVXAUSA-N 1 1 252.446 3.419 10 0 CGAEMO CC1CCC2(CSC(NCc3ccco3)=[NH+]2)CC1 ZINC000053098575 520969375 /nfs/dbraw/zinc/96/93/75/520969375.db2.gz NIGBTRFSPKBOQB-UHFFFAOYSA-N 1 1 264.394 3.421 10 0 CGAEMO CC[N@H+](Cc1cccs1)C[C@](C)(N)c1ccccc1 ZINC000052883478 521406967 /nfs/dbraw/zinc/40/69/67/521406967.db2.gz TUDPEBDOMSCMFI-INIZCTEOSA-N 1 1 274.433 3.444 10 0 CGAEMO CC[N@@H+](Cc1cccs1)C[C@](C)(N)c1ccccc1 ZINC000052883478 521406970 /nfs/dbraw/zinc/40/69/70/521406970.db2.gz TUDPEBDOMSCMFI-INIZCTEOSA-N 1 1 274.433 3.444 10 0 CGAEMO CN1CCCC[C@H]1CC[NH2+]C1(C2CCC2)CCC1 ZINC000459782662 536356951 /nfs/dbraw/zinc/35/69/51/536356951.db2.gz XVAYFTUHRVOAJH-HNNXBMFYSA-N 1 1 250.430 3.173 10 0 CGAEMO C[C@@H]1CCC[N@@H+](Cc2cc(C(N)=S)ccc2F)[C@@H]1C ZINC000050564858 524233188 /nfs/dbraw/zinc/23/31/88/524233188.db2.gz DPUDVAQLMBQFPQ-GHMZBOCLSA-N 1 1 280.412 3.080 10 0 CGAEMO C[C@H](C[NH2+]C1CC1)CN(C)Cc1ccc(Cl)cc1 ZINC000052346315 524479211 /nfs/dbraw/zinc/47/92/11/524479211.db2.gz SQMDKXIMJDVZSW-GFCCVEGCSA-N 1 1 266.816 3.160 10 0 CGAEMO Cc1ccccc1CN1CCC[NH2+][C@H](CC(C)C)C1 ZINC000062657637 525139108 /nfs/dbraw/zinc/13/91/08/525139108.db2.gz ZRVPEVMVVVXHMD-QGZVFWFLSA-N 1 1 260.425 3.205 10 0 CGAEMO Oc1c2ccccc2ccc1C1=CC(C(F)F)=[NH+]CCN1 ZINC000043464941 526333033 /nfs/dbraw/zinc/33/30/33/526333033.db2.gz BSMPNWQIJGQHIQ-UHFFFAOYSA-N 1 1 288.297 3.087 10 0 CGAEMO Cc1csc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)n1 ZINC000157064004 526423525 /nfs/dbraw/zinc/42/35/25/526423525.db2.gz AIPMAHPWTYNLLB-HNNXBMFYSA-N 1 1 288.416 3.333 10 0 CGAEMO Cc1csc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)n1 ZINC000157064004 526423528 /nfs/dbraw/zinc/42/35/28/526423528.db2.gz AIPMAHPWTYNLLB-HNNXBMFYSA-N 1 1 288.416 3.333 10 0 CGAEMO c1ccc(CCC[N@@H+]2CCNC[C@H]2c2ccccc2)cc1 ZINC000062671224 526463897 /nfs/dbraw/zinc/46/38/97/526463897.db2.gz HHISMLWTQLTPLK-IBGZPJMESA-N 1 1 280.415 3.266 10 0 CGAEMO c1ccc(CCC[N@H+]2CCNC[C@H]2c2ccccc2)cc1 ZINC000062671224 526463905 /nfs/dbraw/zinc/46/39/05/526463905.db2.gz HHISMLWTQLTPLK-IBGZPJMESA-N 1 1 280.415 3.266 10 0 CGAEMO Cc1oc(CN)cc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482316 526771336 /nfs/dbraw/zinc/77/13/36/526771336.db2.gz LDLMYRINFSWCJK-UONOGXRCSA-N 1 1 262.397 3.059 10 0 CGAEMO Cc1oc(CN)cc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482316 526771340 /nfs/dbraw/zinc/77/13/40/526771340.db2.gz LDLMYRINFSWCJK-UONOGXRCSA-N 1 1 262.397 3.059 10 0 CGAEMO CC1CCC(C[N@@H+]2CCO[C@H](c3nccs3)C2)CC1 ZINC000092832035 528178321 /nfs/dbraw/zinc/17/83/21/528178321.db2.gz WKOJNVRCEVQPFD-RUXDESIVSA-N 1 1 280.437 3.343 10 0 CGAEMO CC1CCC(C[N@H+]2CCO[C@H](c3nccs3)C2)CC1 ZINC000092832035 528178329 /nfs/dbraw/zinc/17/83/29/528178329.db2.gz WKOJNVRCEVQPFD-RUXDESIVSA-N 1 1 280.437 3.343 10 0 CGAEMO CC[N@H+]1CC[C@@H]([NH3+])C12CCC(C(C)(C)CC)CC2 ZINC000711933773 567836779 /nfs/dbraw/zinc/83/67/79/567836779.db2.gz NGCFHYSUJOVRBM-NPCAHTBFSA-N 1 1 252.446 3.405 10 0 CGAEMO CC[N@@H+]1CC[C@@H](N)C12CCC(C(C)(C)CC)CC2 ZINC000711933773 567836780 /nfs/dbraw/zinc/83/67/80/567836780.db2.gz NGCFHYSUJOVRBM-NPCAHTBFSA-N 1 1 252.446 3.405 10 0 CGAEMO CC[N@H+]1CC[C@@H](N)C12CCC(C(C)(C)CC)CC2 ZINC000711933773 567836781 /nfs/dbraw/zinc/83/67/81/567836781.db2.gz NGCFHYSUJOVRBM-NPCAHTBFSA-N 1 1 252.446 3.405 10 0 CGAEMO CCN1CC[C@@H]([NH3+])C12CCC(C(C)(C)CC)CC2 ZINC000711933773 567836782 /nfs/dbraw/zinc/83/67/82/567836782.db2.gz NGCFHYSUJOVRBM-NPCAHTBFSA-N 1 1 252.446 3.405 10 0 CGAEMO CC(C)[N@@H+]1CC[C@@H](N)C12CCC(C(C)(C)C)CC2 ZINC000712035916 567837001 /nfs/dbraw/zinc/83/70/01/567837001.db2.gz WCPINLRJXVVSDQ-NPCAHTBFSA-N 1 1 252.446 3.403 10 0 CGAEMO CC(C)[N@H+]1CC[C@@H](N)C12CCC(C(C)(C)C)CC2 ZINC000712035916 567837002 /nfs/dbraw/zinc/83/70/02/567837002.db2.gz WCPINLRJXVVSDQ-NPCAHTBFSA-N 1 1 252.446 3.403 10 0 CGAEMO C[C@@H]1CN([C@H]2CCc3cc(Cl)ccc32)C[C@@]1(C)C[NH3+] ZINC000311904789 572350117 /nfs/dbraw/zinc/35/01/17/572350117.db2.gz GKRBYKKMTYQISL-XFBWCDHKSA-N 1 1 278.827 3.244 10 0 CGAEMO CCc1ccccc1NC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC000220590183 572427311 /nfs/dbraw/zinc/42/73/11/572427311.db2.gz ZYSQEMDGLYCASV-ZDUSSCGKSA-N 1 1 283.375 3.024 10 0 CGAEMO Cc1ncsc1CC[N@H+](C)C/C=C/c1ccco1 ZINC000065531890 618567186 /nfs/dbraw/zinc/56/71/86/618567186.db2.gz ISQNLOPRVRFVPC-HWKANZROSA-N 1 1 262.378 3.232 10 0 CGAEMO CC[NH2+][C@@H](C)c1nc(C(C2CCC2)C2CCC2)no1 ZINC000311720409 618916654 /nfs/dbraw/zinc/91/66/54/618916654.db2.gz UNZBLUUEZJOGDA-JTQLQIEISA-N 1 1 263.385 3.424 10 0 CGAEMO Clc1cccc(O[C@@H]2CC[N@@H+](C[C@H]3CCC=CO3)C2)c1 ZINC000248822542 619215975 /nfs/dbraw/zinc/21/59/75/619215975.db2.gz FJGCOBNUMPONGP-HZPDHXFCSA-N 1 1 293.794 3.486 10 0 CGAEMO CC(C)C[C@@H]([NH3+])c1nc(C2CCC(C)CC2)no1 ZINC000044983052 622832593 /nfs/dbraw/zinc/83/25/93/622832593.db2.gz HZYXDEBVFJZCNZ-HTAVTVPLSA-N 1 1 251.374 3.409 10 0 CGAEMO Cc1cc2ncn(C[N@H+]3CCS[C@@H](C)C3)c2cc1C ZINC000171606615 623179304 /nfs/dbraw/zinc/17/93/04/623179304.db2.gz MRHLVXLGUAYNDM-ZDUSSCGKSA-N 1 1 275.421 3.048 10 0 CGAEMO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)c1O ZINC000182075893 624936246 /nfs/dbraw/zinc/93/62/46/624936246.db2.gz BTTLYMDGKKUFRY-UONOGXRCSA-N 1 1 294.826 3.104 10 0 CGAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)c1O ZINC000182075893 624936250 /nfs/dbraw/zinc/93/62/50/624936250.db2.gz BTTLYMDGKKUFRY-UONOGXRCSA-N 1 1 294.826 3.104 10 0 CGAEMO CC1(C)CC[N@@H+](C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000076015463 624970769 /nfs/dbraw/zinc/97/07/69/624970769.db2.gz UDAAPRXGAGZMHP-CYBMUJFWSA-N 1 1 287.325 3.471 10 0 CGAEMO CCC[N@H+]1CCC[C@@H](c2cccc(OC)c2F)C1 ZINC000757566918 630399636 /nfs/dbraw/zinc/39/96/36/630399636.db2.gz MUDBYPFVIMGDOT-GFCCVEGCSA-N 1 1 251.345 3.424 10 0 CGAEMO CCOc1cc(F)ccc1[C@@H]1CCC[N@@H+](CC)C1 ZINC000757572818 630509783 /nfs/dbraw/zinc/50/97/83/630509783.db2.gz UGZLNUGWOZKGRS-GFCCVEGCSA-N 1 1 251.345 3.424 10 0 CGAEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000106212392 636158818 /nfs/dbraw/zinc/15/88/18/636158818.db2.gz DFFPYLYMJDLBDG-CQSZACIVSA-N 1 1 289.448 3.387 10 0 CGAEMO CC(=O)[C@@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000113652294 638217920 /nfs/dbraw/zinc/21/79/20/638217920.db2.gz IWBBVTWYXGNSCJ-CQSZACIVSA-N 1 1 263.406 3.080 10 0 CGAEMO CC(C)=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248624263 640772716 /nfs/dbraw/zinc/77/27/16/640772716.db2.gz UMRHDZYFUICZEZ-KKUMJFAQSA-N 1 1 294.439 3.188 10 0 CGAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)CC)C12CCCC2 ZINC000249134957 640793746 /nfs/dbraw/zinc/79/37/46/640793746.db2.gz YOPVGDJVRKJLHC-HUUCEWRRSA-N 1 1 267.413 3.025 10 0 CGAEMO Cc1ccc(OCC[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000251254253 640823670 /nfs/dbraw/zinc/82/36/70/640823670.db2.gz COMNMILBYGYGDG-WMZOPIPTSA-N 1 1 289.419 3.001 10 0 CGAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000090225548 282102845 /nfs/dbraw/zinc/10/28/45/282102845.db2.gz WPMHAWRDHLSZQA-YGRLFVJLSA-N 1 1 290.798 3.426 10 0 CGAEMO 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MZOSFYBDIJHEJF-XEZPLFJOSA-N 1 1 264.388 3.205 10 0 CGAEMO CC(C)C[NH2+]Cc1nc(CN(C)[C@H](C)C(C)C)cs1 ZINC000052478332 519748373 /nfs/dbraw/zinc/74/83/73/519748373.db2.gz HLZWJOJMLAKIRK-CYBMUJFWSA-N 1 1 283.485 3.365 10 0 CGAEMO CCCCC[N@@H+](C(C)C)[C@]1(CN)CCCSC1 ZINC000061590223 520149731 /nfs/dbraw/zinc/14/97/31/520149731.db2.gz RIIDVJKJNMLDNK-AWEZNQCLSA-N 1 1 258.475 3.112 10 0 CGAEMO CCCCOC(=O)CC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000157812668 520705746 /nfs/dbraw/zinc/70/57/46/520705746.db2.gz JHAALXWOJKUKBC-CYBMUJFWSA-N 1 1 296.436 3.056 10 0 CGAEMO CCCCOC[C@H](O)C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000227907477 520804541 /nfs/dbraw/zinc/80/45/41/520804541.db2.gz DCMAAYQFEAHYDJ-OAHLLOKOSA-N 1 1 271.445 3.065 10 0 CGAEMO CCOC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000049368852 521027446 /nfs/dbraw/zinc/02/74/46/521027446.db2.gz WGNQKLJWMIZVJD-FRRDWIJNSA-N 1 1 255.402 3.133 10 0 CGAEMO C[N@H+]1C[C@@H](c2ccccc2)NC[C@@H]1c1ccccc1 ZINC000062624438 524014154 /nfs/dbraw/zinc/01/41/54/524014154.db2.gz XDIDOQKRJPJACJ-DLBZAZTESA-N 1 1 252.361 3.004 10 0 CGAEMO CN1C[C@@H](c2ccccc2)[NH2+]C[C@@H]1c1ccccc1 ZINC000062624438 524014156 /nfs/dbraw/zinc/01/41/56/524014156.db2.gz XDIDOQKRJPJACJ-DLBZAZTESA-N 1 1 252.361 3.004 10 0 CGAEMO C[C@H](CCc1ccco1)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601240 524255906 /nfs/dbraw/zinc/25/59/06/524255906.db2.gz XSCHGSRBWPCKDW-MCIONIFRSA-N 1 1 261.365 3.187 10 0 CGAEMO C[C@H](CCc1ccco1)[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601240 524255913 /nfs/dbraw/zinc/25/59/13/524255913.db2.gz XSCHGSRBWPCKDW-MCIONIFRSA-N 1 1 261.365 3.187 10 0 CGAEMO COc1ccccc1N1CCC[C@H](Nc2cccc(C)[nH+]2)C1 ZINC000157611767 524541238 /nfs/dbraw/zinc/54/12/38/524541238.db2.gz LXNYYKNYNANLBO-HNNXBMFYSA-N 1 1 297.402 3.480 10 0 CGAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(C(F)F)cc1 ZINC000183946353 525086074 /nfs/dbraw/zinc/08/60/74/525086074.db2.gz FHXRFAQEGRDWRJ-IUODEOHRSA-N 1 1 280.362 3.293 10 0 CGAEMO Cc1[nH+]ccn1CCNc1ccc(C)cc1Br 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CGAEMO Cc1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)c(C)c1 ZINC000188399512 542248115 /nfs/dbraw/zinc/24/81/15/542248115.db2.gz KIIRDXUVVFWLJN-KRWDZBQOSA-N 1 1 269.392 3.165 10 0 CGAEMO CCC[C@@H]1C[N@H+](Cc2ccccc2)[C@H](CCC)CN1 ZINC000082935711 345723631 /nfs/dbraw/zinc/72/36/31/345723631.db2.gz GEGXGIRNSQWECW-IAGOWNOFSA-N 1 1 260.425 3.429 10 0 CGAEMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](CCC)CN1 ZINC000082935711 345723633 /nfs/dbraw/zinc/72/36/33/345723633.db2.gz GEGXGIRNSQWECW-IAGOWNOFSA-N 1 1 260.425 3.429 10 0 CGAEMO C[C@]1(c2ccc(N)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000117723822 345985715 /nfs/dbraw/zinc/98/57/15/345985715.db2.gz OHGKCVFHWDGLGG-SFHVURJKSA-N 1 1 266.388 3.432 10 0 CGAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(F)ccc2Cl)C1 ZINC000171227327 346204407 /nfs/dbraw/zinc/20/44/07/346204407.db2.gz GAOTUJVKSXKLGL-NSHDSACASA-N 1 1 299.777 3.085 10 0 CGAEMO CCc1ccc([C@H]2CCCC[N@H+]2CC(=O)N[C@@H](C)CC)o1 ZINC000172872150 346231569 /nfs/dbraw/zinc/23/15/69/346231569.db2.gz PKSXDDVBCIYYFJ-DZGCQCFKSA-N 1 1 292.423 3.284 10 0 CGAEMO CCc1ccc([C@H]2CCCC[N@@H+]2CC(=O)N[C@@H](C)CC)o1 ZINC000172872150 346231570 /nfs/dbraw/zinc/23/15/70/346231570.db2.gz PKSXDDVBCIYYFJ-DZGCQCFKSA-N 1 1 292.423 3.284 10 0 CGAEMO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1C[C@H]1CCCCO1 ZINC000245403065 346353709 /nfs/dbraw/zinc/35/37/09/346353709.db2.gz KJGCCYHIVCQLFT-IAGOWNOFSA-N 1 1 289.419 3.408 10 0 CGAEMO COC[C@@H](C)C[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000249780196 346383863 /nfs/dbraw/zinc/38/38/63/346383863.db2.gz KZUYAISBFZNEKH-JSGCOSHPSA-N 1 1 251.370 3.398 10 0 CGAEMO C[C@@H](c1ccco1)[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000257354642 346400153 /nfs/dbraw/zinc/40/01/53/346400153.db2.gz YYHXWDNDDQKVGA-QWHCGFSZSA-N 1 1 294.395 3.330 10 0 CGAEMO C[C@@H](c1ccco1)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000257354642 346400157 /nfs/dbraw/zinc/40/01/57/346400157.db2.gz YYHXWDNDDQKVGA-QWHCGFSZSA-N 1 1 294.395 3.330 10 0 CGAEMO Brc1csnc1[C@H]1CCCCC[NH2+]1 ZINC000404878445 346601467 /nfs/dbraw/zinc/60/14/67/346601467.db2.gz YKDIDRXIIUZCIM-MRVPVSSYSA-N 1 1 261.188 3.110 10 0 CGAEMO CN(C)CCC[N@@H+]1CCC2(C[C@H]3CCCC[C@@H]3C2)C1 ZINC000584652537 346705292 /nfs/dbraw/zinc/70/52/92/346705292.db2.gz OSQDHMIUMMPGLG-HZPDHXFCSA-N 1 1 264.457 3.230 10 0 CGAEMO CN(C)CCC[N@H+]1CCC2(C[C@H]3CCCC[C@@H]3C2)C1 ZINC000584652537 346705297 /nfs/dbraw/zinc/70/52/97/346705297.db2.gz OSQDHMIUMMPGLG-HZPDHXFCSA-N 1 1 264.457 3.230 10 0 CGAEMO Nc1ccc(OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000584592574 346686218 /nfs/dbraw/zinc/68/62/18/346686218.db2.gz MJPGNLJUEJRUOL-WFASDCNBSA-N 1 1 278.371 3.051 10 0 CGAEMO CCC(=O)O[C@@H](c1ccccc1)[C@H]1CC[N@H+](C(C)C)C1 ZINC000584633898 346700430 /nfs/dbraw/zinc/70/04/30/346700430.db2.gz RPGWJVWHCLWMGU-RDJZCZTQSA-N 1 1 275.392 3.411 10 0 CGAEMO CCOC(=O)[C@H](C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000584634005 346700446 /nfs/dbraw/zinc/70/04/46/346700446.db2.gz XBLUQMFODZUKEJ-FMKPAKJESA-N 1 1 275.392 3.269 10 0 CGAEMO CCOC(=O)c1ccccc1[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000616617175 348847512 /nfs/dbraw/zinc/84/75/12/348847512.db2.gz LNRROYSUTZBWEE-CQSZACIVSA-N 1 1 275.392 3.451 10 0 CGAEMO CNc1ccccc1[C@@H]1CCOCC[N@H+]1C(C)(C)C ZINC000616597691 348840495 /nfs/dbraw/zinc/84/04/95/348840495.db2.gz IMMFJYVXYPSFAD-HNNXBMFYSA-N 1 1 262.397 3.290 10 0 CGAEMO c1ccc(C[N@H+]2CCC[C@H](c3cncnc3)CC2)cc1 ZINC000616601119 348842378 /nfs/dbraw/zinc/84/23/78/348842378.db2.gz JPFVDZPDXSUKQR-INIZCTEOSA-N 1 1 267.376 3.246 10 0 CGAEMO CC(C)[N@H+]1CCC[C@@H](c2ccccc2CCO)CC1 ZINC000616602519 348842553 /nfs/dbraw/zinc/84/25/53/348842553.db2.gz YVSMETMGPLRQAJ-OAHLLOKOSA-N 1 1 261.409 3.199 10 0 CGAEMO CC(C)(C)[N@H+]1CCOC[C@@H]1c1cccc2ccncc21 ZINC000616602490 348842572 /nfs/dbraw/zinc/84/25/72/348842572.db2.gz RRRCBXRFBSHYGE-MRXNPFEDSA-N 1 1 270.376 3.407 10 0 CGAEMO CCOC(=O)c1ccccc1[C@@H]1CCCC[N@@H+](C)C1 ZINC000616605016 348843373 /nfs/dbraw/zinc/84/33/73/348843373.db2.gz JZTQLZZAENYNNC-CYBMUJFWSA-N 1 1 261.365 3.063 10 0 CGAEMO CCOC(=O)c1ccc([C@H]2CCCC[N@@H+](CC)C2)cc1 ZINC000616603401 348843397 /nfs/dbraw/zinc/84/33/97/348843397.db2.gz STXUZMIZMRJOGQ-INIZCTEOSA-N 1 1 275.392 3.453 10 0 CGAEMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](C(C)(C)C)CC1 ZINC000616603554 348843410 /nfs/dbraw/zinc/84/34/10/348843410.db2.gz YEISIXCLDLXMJH-ZDUSSCGKSA-N 1 1 284.444 3.412 10 0 CGAEMO CC[N@H+]1CCC[C@@H](c2ccc3nnccc3c2)CC1 ZINC000616610424 348845098 /nfs/dbraw/zinc/84/50/98/348845098.db2.gz JDSBWOUEHBOZHW-CYBMUJFWSA-N 1 1 255.365 3.219 10 0 CGAEMO CC[N@H+]1CCC[C@@H](c2cnnc3ccccc32)CC1 ZINC000616610400 348845153 /nfs/dbraw/zinc/84/51/53/348845153.db2.gz IMMKRBGGZTWBLC-CYBMUJFWSA-N 1 1 255.365 3.219 10 0 CGAEMO OCC[N@H+]1CCCCC[C@H]1c1nccc2ccccc21 ZINC000616626343 348850656 /nfs/dbraw/zinc/85/06/56/348850656.db2.gz FTPRYPBRBFBLHR-INIZCTEOSA-N 1 1 270.376 3.144 10 0 CGAEMO CC(C)(C)[N@H+]1CCC[C@H](c2ccccc2C(N)=O)CC1 ZINC000616627620 348851140 /nfs/dbraw/zinc/85/11/40/348851140.db2.gz IVOWHASEVNQUQQ-ZDUSSCGKSA-N 1 1 274.408 3.154 10 0 CGAEMO CC(C)(C)[N@@H+]1CCOC[C@H]1c1ccc2ccccc2n1 ZINC000616641809 348854325 /nfs/dbraw/zinc/85/43/25/348854325.db2.gz QGYJGMGBTBUMOK-INIZCTEOSA-N 1 1 270.376 3.407 10 0 CGAEMO CC(C)(C)[N@H+]1CCOC[C@H]1c1ccc2ccccc2n1 ZINC000616641809 348854327 /nfs/dbraw/zinc/85/43/27/348854327.db2.gz QGYJGMGBTBUMOK-INIZCTEOSA-N 1 1 270.376 3.407 10 0 CGAEMO CC[N@H+]1CCCOC[C@H]1c1cccc2cnccc21 ZINC000616649987 348855336 /nfs/dbraw/zinc/85/53/36/348855336.db2.gz STPVTLPSMYCMAM-INIZCTEOSA-N 1 1 256.349 3.018 10 0 CGAEMO CC[N@H+]1CCCOC[C@H]1c1cccc2ccncc21 ZINC000616648214 348856043 /nfs/dbraw/zinc/85/60/43/348856043.db2.gz BIUCLPZYLZVSCY-INIZCTEOSA-N 1 1 256.349 3.018 10 0 CGAEMO CC(C)(C)[N@H+]1CCCO[C@H](c2cc3ccccc3nn2)C1 ZINC000616650127 348856599 /nfs/dbraw/zinc/85/65/99/348856599.db2.gz UKANBULDELUWOA-INIZCTEOSA-N 1 1 285.391 3.192 10 0 CGAEMO CC(C)[N@H+]1CCCO[C@H](c2ccc3cccnc3c2)C1 ZINC000616650149 348856832 /nfs/dbraw/zinc/85/68/32/348856832.db2.gz VIKWPUUNWPVGTE-KRWDZBQOSA-N 1 1 270.376 3.407 10 0 CGAEMO CC(C)N1C[C@H](c2cc[nH+]c(N)c2)Cc2ccccc21 ZINC000616672202 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/nfs/dbraw/zinc/13/33/81/173133381.db2.gz HJGRHQCMOJMXLY-LBPRGKRZSA-N 1 1 257.333 3.347 10 0 CGAEMO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc[nH]n1 ZINC000037907419 173840139 /nfs/dbraw/zinc/84/01/39/173840139.db2.gz WTWGCNLEGCUNGW-VXGBXAGGSA-N 1 1 259.353 3.139 10 0 CGAEMO COC(=O)[C@@](C)(CCc1ccccc1)[NH2+]C1CCCC1 ZINC000037970049 173919388 /nfs/dbraw/zinc/91/93/88/173919388.db2.gz RRBDREYNZAKGLP-QGZVFWFLSA-N 1 1 275.392 3.083 10 0 CGAEMO C[C@@H]([NH3+])c1nnc(SCc2ccc(F)cc2Cl)o1 ZINC000040173815 174200104 /nfs/dbraw/zinc/20/01/04/174200104.db2.gz SODCDPLKPWFQGT-ZCFIWIBFSA-N 1 1 287.747 3.174 10 0 CGAEMO [NH3+]Cc1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000040173851 174200468 /nfs/dbraw/zinc/20/04/68/174200468.db2.gz ISPDLBPYMWPHDB-UHFFFAOYSA-N 1 1 290.175 3.127 10 0 CGAEMO CCCCNc1[nH+]cnc(NC2CCCCC2)c1N ZINC000040706393 174379788 /nfs/dbraw/zinc/37/97/88/174379788.db2.gz JNRLVLDHOZGKSJ-UHFFFAOYSA-N 1 1 263.389 3.015 10 0 CGAEMO CCCCNc1nc[nH+]c(NC2CCCCC2)c1N ZINC000040706393 174379789 /nfs/dbraw/zinc/37/97/89/174379789.db2.gz JNRLVLDHOZGKSJ-UHFFFAOYSA-N 1 1 263.389 3.015 10 0 CGAEMO COc1ccccc1[C@@H]([NH3+])c1nc2c(s1)CCCC2 ZINC000041183933 174506377 /nfs/dbraw/zinc/50/63/77/174506377.db2.gz BBOLWFBSSIOZAD-CQSZACIVSA-N 1 1 274.389 3.079 10 0 CGAEMO CCCO[C@H]1CCC[N@H+]([C@@H](C)c2cccc(N)c2)C1 ZINC000042408437 174713989 /nfs/dbraw/zinc/71/39/89/174713989.db2.gz MVZTTYHYQPUGLO-BBRMVZONSA-N 1 1 262.397 3.221 10 0 CGAEMO COc1ccccc1[C@H](N)C[N@@H+](CC(C)C)C(C)C ZINC000042581739 174805793 /nfs/dbraw/zinc/80/57/93/174805793.db2.gz KPZKRNWZPRSMGN-OAHLLOKOSA-N 1 1 264.413 3.061 10 0 CGAEMO CC(C)C[N@@H+](Cc1ccc(F)cc1C(N)=S)C1CC1 ZINC000071266093 176100237 /nfs/dbraw/zinc/10/02/37/176100237.db2.gz DEGKLFRNLFBSCW-UHFFFAOYSA-N 1 1 280.412 3.080 10 0 CGAEMO OCCCC[N@H+]1CCC[C@H](CCc2ccccc2F)C1 ZINC000072162410 176330051 /nfs/dbraw/zinc/33/00/51/176330051.db2.gz PQLDVNRUYMCKIV-OAHLLOKOSA-N 1 1 279.399 3.243 10 0 CGAEMO CCc1nnc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000124596636 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CGAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC1CCC(F)(F)CC1 ZINC000459371449 288084838 /nfs/dbraw/zinc/08/48/38/288084838.db2.gz SUNSAGIQSRIFCM-HUUCEWRRSA-N 1 1 286.410 3.371 10 0 CGAEMO CC(C)C[C@H](C)c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000329671182 279119485 /nfs/dbraw/zinc/11/94/85/279119485.db2.gz NCESEOXXTLGUIA-ZENOOKHLSA-N 1 1 293.411 3.145 10 0 CGAEMO CC(C)C[C@H](C)c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000329671182 279119486 /nfs/dbraw/zinc/11/94/86/279119486.db2.gz NCESEOXXTLGUIA-ZENOOKHLSA-N 1 1 293.411 3.145 10 0 CGAEMO CC(C)C[C@H](C[NH+](C)C)N[C@H](C)c1ccc(Cl)cn1 ZINC000274937693 279133713 /nfs/dbraw/zinc/13/37/13/279133713.db2.gz SHEMGXUNPPCORI-TZMCWYRMSA-N 1 1 283.847 3.362 10 0 CGAEMO C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247582567 279191493 /nfs/dbraw/zinc/19/14/93/279191493.db2.gz YXMCEQAJBCIWPD-CABCVRRESA-N 1 1 290.407 3.208 10 0 CGAEMO C[C@H](N[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1Br ZINC000358391715 290026955 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ZINC000049530730 522894345 /nfs/dbraw/zinc/89/43/45/522894345.db2.gz ASQPUIWDBKQSRM-SECBINFHSA-N 1 1 269.801 3.376 10 0 CGAEMO CC[C@H]1CCC[N@@H+]([C@@H](CN)c2ccc(F)c(C)c2)C1 ZINC000050546100 523095264 /nfs/dbraw/zinc/09/52/64/523095264.db2.gz MIXFZANRVPEUBB-BBRMVZONSA-N 1 1 264.388 3.256 10 0 CGAEMO CC[C@H]1CCC[N@H+]([C@@H](CN)c2ccc(F)c(C)c2)C1 ZINC000050546100 523095273 /nfs/dbraw/zinc/09/52/73/523095273.db2.gz MIXFZANRVPEUBB-BBRMVZONSA-N 1 1 264.388 3.256 10 0 CGAEMO C[N@@H+]1CCCC[C@@H]1CCNCc1cc2c(s1)CCC2 ZINC000052205794 523794278 /nfs/dbraw/zinc/79/42/78/523794278.db2.gz YFXAAZNESNVADX-CQSZACIVSA-N 1 1 278.465 3.201 10 0 CGAEMO C[N@H+]1CCCC[C@@H]1CCNCc1cc2c(s1)CCC2 ZINC000052205794 523794283 /nfs/dbraw/zinc/79/42/83/523794283.db2.gz YFXAAZNESNVADX-CQSZACIVSA-N 1 1 278.465 3.201 10 0 CGAEMO CN1CCCC[C@@H]1CC[NH2+]Cc1cc2c(s1)CCC2 ZINC000052205794 523794286 /nfs/dbraw/zinc/79/42/86/523794286.db2.gz YFXAAZNESNVADX-CQSZACIVSA-N 1 1 278.465 3.201 10 0 CGAEMO 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346310697 /nfs/dbraw/zinc/31/06/97/346310697.db2.gz XZWFBAFQJGMZPQ-SNVBAGLBSA-N 1 1 272.167 3.460 10 0 CGAEMO CCc1c(C)[nH+]c2cc(C)c(Br)cn21 ZINC000228025230 346313197 /nfs/dbraw/zinc/31/31/97/346313197.db2.gz CBMQSJKAMNZCNP-UHFFFAOYSA-N 1 1 253.143 3.276 10 0 CGAEMO CC[C@@H](c1ccc(F)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247148732 346368459 /nfs/dbraw/zinc/36/84/59/346368459.db2.gz RUGSKZLQVKSIFN-HOTGVXAUSA-N 1 1 262.372 3.057 10 0 CGAEMO C[C@@H]1C[C@]2(C[N@@H+]1Cc1ccccc1)NC(C)(C)CS2 ZINC000306357596 346453218 /nfs/dbraw/zinc/45/32/18/346453218.db2.gz XDFLJTFYAXJUHQ-CJNGLKHVSA-N 1 1 276.449 3.092 10 0 CGAEMO C[C@@H]1C[C@]2(C[N@H+]1Cc1ccccc1)NC(C)(C)CS2 ZINC000306357596 346453223 /nfs/dbraw/zinc/45/32/23/346453223.db2.gz XDFLJTFYAXJUHQ-CJNGLKHVSA-N 1 1 276.449 3.092 10 0 CGAEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1c1nc2ccccc2s1 ZINC000604995858 348142099 /nfs/dbraw/zinc/14/20/99/348142099.db2.gz IZDGFKVPLHYFCJ-STQMWFEESA-N 1 1 287.432 3.359 10 0 CGAEMO CCOC(=O)c1ccc([C@H]2CC[N@H+](C(C)(C)C)C2)cc1 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295.382 3.441 10 0 CGAEMO CCOC(=O)c1ccccc1[C@H]1c2ccccc2CC[N@@H+]1C ZINC000616677565 348863857 /nfs/dbraw/zinc/86/38/57/348863857.db2.gz SXGTWUDSPHJJNJ-GOSISDBHSA-N 1 1 295.382 3.441 10 0 CGAEMO CC(C)(C)[N@H+]1CCc2ccccc2[C@@H]1c1c[nH]cn1 ZINC000616678252 348864888 /nfs/dbraw/zinc/86/48/88/348864888.db2.gz DKFNMFNYXOCIFH-OAHLLOKOSA-N 1 1 255.365 3.156 10 0 CGAEMO CC(C)(C)[N@@H+]1CCc2ccccc2[C@@H]1c1cnc[nH]1 ZINC000616678252 348864891 /nfs/dbraw/zinc/86/48/91/348864891.db2.gz DKFNMFNYXOCIFH-OAHLLOKOSA-N 1 1 255.365 3.156 10 0 CGAEMO CC(C)(C)[N@H+]1CCc2ccccc2[C@@H]1c1cnc[nH]1 ZINC000616678252 348864892 /nfs/dbraw/zinc/86/48/92/348864892.db2.gz DKFNMFNYXOCIFH-OAHLLOKOSA-N 1 1 255.365 3.156 10 0 CGAEMO CC[N@H+]1CCc2ccccc2[C@H]1c1cccc(N)c1 ZINC000616680430 348865631 /nfs/dbraw/zinc/86/56/31/348865631.db2.gz UEQGWONUOFQDDS-QGZVFWFLSA-N 1 1 252.361 3.236 10 0 CGAEMO CC(C)(C)[N@H+]1CCO[C@H](c2ccccc2F)CC1 ZINC000616686222 348867747 /nfs/dbraw/zinc/86/77/47/348867747.db2.gz 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C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nc(NN)ccc1Cl ZINC000061638473 526255622 /nfs/dbraw/zinc/25/56/22/526255622.db2.gz PVRTYWOOOCFLRK-GWCFXTLKSA-N 1 1 282.819 3.031 10 0 CGAEMO Cc1csc([C@@H]2CCC[N@@H+](CCc3ccncc3)C2)n1 ZINC000157801597 526420979 /nfs/dbraw/zinc/42/09/79/526420979.db2.gz YKOQZKZANNTOKJ-OAHLLOKOSA-N 1 1 287.432 3.269 10 0 CGAEMO [NH3+]Cc1nc2c(o1)c(Br)c(Cl)cc2Cl ZINC000062561159 527266512 /nfs/dbraw/zinc/26/65/12/527266512.db2.gz MOOKHKIZPPUKQG-UHFFFAOYSA-N 1 1 295.951 3.356 10 0 CGAEMO [NH3+][C@@H](c1nc2c(s1)CCC2)c1cc(F)c(F)c(F)c1 ZINC000062719451 527340713 /nfs/dbraw/zinc/34/07/13/527340713.db2.gz CFSBGMQJWKFBDO-GFCCVEGCSA-N 1 1 284.306 3.097 10 0 CGAEMO Cc1[nH+]ccn1CCNc1ccc(Br)c(C)c1 ZINC000049329793 527432850 /nfs/dbraw/zinc/43/28/50/527432850.db2.gz DMLBMGVICDTQHB-UHFFFAOYSA-N 1 1 294.196 3.375 10 0 CGAEMO Cc1[nH+]ccn1CCNc1cccc(Cl)c1F ZINC000049329999 527433485 /nfs/dbraw/zinc/43/34/85/527433485.db2.gz XSHZZJIRMJMUDP-UHFFFAOYSA-N 1 1 253.708 3.096 10 0 CGAEMO 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3.391 10 0 CGAEMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2cc3ccccc3o2)C1 ZINC000044117580 622533228 /nfs/dbraw/zinc/53/32/28/622533228.db2.gz BQXRUMHZFNYRQK-OCCSQVGLSA-N 1 1 259.349 3.198 10 0 CGAEMO Cc1cnc([C@H](C)[NH2+]C[C@H](O)c2ccccc2Cl)o1 ZINC000230643579 623256172 /nfs/dbraw/zinc/25/61/72/623256172.db2.gz MYHMPGFGWAQDAP-GWCFXTLKSA-N 1 1 280.755 3.021 10 0 CGAEMO CCC[C@@H]([NH3+])c1nc([C@@H]2CCc3ccccc3C2)no1 ZINC000087997766 640613045 /nfs/dbraw/zinc/61/30/45/640613045.db2.gz APELIXCSHJJDDZ-ZIAGYGMSSA-N 1 1 271.364 3.142 10 0 CGAEMO C/C(=C/c1ccco1)C[NH+]1CCN(c2ncccc2C)CC1 ZINC000096736546 640837277 /nfs/dbraw/zinc/83/72/77/640837277.db2.gz TZUDMGATQWUJFM-SQFISAMPSA-N 1 1 297.402 3.209 10 0 CGAEMO C[C@H]1CCCC[N@H+]1CCN(C)C(=O)/C=C\c1ccccc1 ZINC000096840014 640841302 /nfs/dbraw/zinc/84/13/02/640841302.db2.gz DUDKSCHZYSBUMW-JNSOCZORSA-N 1 1 286.419 3.033 10 0 CGAEMO C[C@@H](c1ccco1)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100248362 230391687 /nfs/dbraw/zinc/39/16/87/230391687.db2.gz 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377253179 /nfs/dbraw/zinc/25/31/79/377253179.db2.gz HXULQHOGHIWJOC-ZFWWWQNUSA-N 1 1 251.345 3.116 10 0 CGAEMO CCc1nccn1[C@@H]1CCC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248567742 377350213 /nfs/dbraw/zinc/35/02/13/377350213.db2.gz JWLWWLSANYDHQA-HUUCEWRRSA-N 1 1 291.439 3.040 10 0 CGAEMO O=C(C[C@@H]1CCC[N@H+]1C[C@H]1CCC=CO1)c1ccccc1 ZINC000248944285 377432137 /nfs/dbraw/zinc/43/21/37/377432137.db2.gz BZGRGKSNLXVCOX-DLBZAZTESA-N 1 1 285.387 3.417 10 0 CGAEMO C[C@@H]1C[N@@H+](C[C@H]2CCC=CO2)[C@@H](c2ccccc2)CO1 ZINC000249037914 377448054 /nfs/dbraw/zinc/44/80/54/377448054.db2.gz TXFHMWPVIGDRLT-DJIMGWMZSA-N 1 1 273.376 3.141 10 0 CGAEMO CC[C@H](c1ccccc1)[N@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000248802692 377402751 /nfs/dbraw/zinc/40/27/51/377402751.db2.gz QSAYRRAAFNTNEK-QZTJIDSGSA-N 1 1 299.418 3.428 10 0 CGAEMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248819929 377406776 /nfs/dbraw/zinc/40/67/76/377406776.db2.gz FLNKXYJMKFMQAZ-HYVNUMGLSA-N 1 1 299.414 3.350 10 0 CGAEMO COCc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC=CO2)o1 ZINC000248875454 377418042 /nfs/dbraw/zinc/41/80/42/377418042.db2.gz JFXMMGFFKYUAIC-UKRRQHHQSA-N 1 1 277.364 3.256 10 0 CGAEMO C/C(=C\c1ccccc1)CN[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000249297980 377489045 /nfs/dbraw/zinc/48/90/45/377489045.db2.gz RMHJHAVCZDBIQM-XPQPCJHHSA-N 1 1 272.436 3.408 10 0 CGAEMO C/C(=C\c1ccccc1)CN[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000249297980 377489048 /nfs/dbraw/zinc/48/90/48/377489048.db2.gz RMHJHAVCZDBIQM-XPQPCJHHSA-N 1 1 272.436 3.408 10 0 CGAEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000249923116 377542517 /nfs/dbraw/zinc/54/25/17/377542517.db2.gz ZFHNPZNJVLLMJW-ZBFHGGJFSA-N 1 1 284.407 3.239 10 0 CGAEMO OC[C@@H]1C[N@@H+](C[C@H]2CC=CCC2)C[C@@H]1c1ccsc1 ZINC000250057406 377548842 /nfs/dbraw/zinc/54/88/42/377548842.db2.gz MNNKRFWHZYNYML-CWRNSKLLSA-N 1 1 277.433 3.112 10 0 CGAEMO CC(C)(C)c1cnc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)o1 ZINC000252475999 377626320 /nfs/dbraw/zinc/62/63/20/377626320.db2.gz WSWPXKJDVHSLFF-GUYCJALGSA-N 1 1 292.423 3.099 10 0 CGAEMO CC(C)(C)c1cnc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)o1 ZINC000252475999 377626327 /nfs/dbraw/zinc/62/63/27/377626327.db2.gz WSWPXKJDVHSLFF-GUYCJALGSA-N 1 1 292.423 3.099 10 0 CGAEMO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCCOc1ccccc1 ZINC000252661465 377647724 /nfs/dbraw/zinc/64/77/24/377647724.db2.gz KUBBGRMWNDGALM-SJORKVTESA-N 1 1 288.435 3.014 10 0 CGAEMO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCCOc1ccccc1 ZINC000252661465 377647727 /nfs/dbraw/zinc/64/77/27/377647727.db2.gz KUBBGRMWNDGALM-SJORKVTESA-N 1 1 288.435 3.014 10 0 CGAEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCCOc1ccccc1 ZINC000252661465 377647746 /nfs/dbraw/zinc/64/77/46/377647746.db2.gz KUBBGRMWNDGALM-SJORKVTESA-N 1 1 288.435 3.014 10 0 CGAEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCC1CCCC1 ZINC000252677212 377649233 /nfs/dbraw/zinc/64/92/33/377649233.db2.gz WMSRHXYBFUMEDW-ZBFHGGJFSA-N 1 1 250.430 3.125 10 0 CGAEMO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCC1CCCC1 ZINC000252677212 377649239 /nfs/dbraw/zinc/64/92/39/377649239.db2.gz WMSRHXYBFUMEDW-ZBFHGGJFSA-N 1 1 250.430 3.125 10 0 CGAEMO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCC1CCCC1 ZINC000252677212 377649245 /nfs/dbraw/zinc/64/92/45/377649245.db2.gz WMSRHXYBFUMEDW-ZBFHGGJFSA-N 1 1 250.430 3.125 10 0 CGAEMO C[N@H+]1CC[C@H](NC(=O)CCC2CCC2)[C@H]1c1ccccc1 ZINC000252801459 377664571 /nfs/dbraw/zinc/66/45/71/377664571.db2.gz JORLBOVDIPPYHQ-FUHWJXTLSA-N 1 1 286.419 3.128 10 0 CGAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCCOc1ccccc1 ZINC000252582103 377638316 /nfs/dbraw/zinc/63/83/16/377638316.db2.gz ULCZCPJUCGWSFY-IRXDYDNUSA-N 1 1 288.435 3.014 10 0 CGAEMO O=C(CC/C=C\c1ccccc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000255354879 377750964 /nfs/dbraw/zinc/75/09/64/377750964.db2.gz SBTHAGLXYYFHTN-JDTSAYOFSA-N 1 1 298.430 3.177 10 0 CGAEMO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1cscn1 ZINC000271140801 378461232 /nfs/dbraw/zinc/46/12/32/378461232.db2.gz OFAZTZFGXACHJO-STQMWFEESA-N 1 1 276.405 3.399 10 0 CGAEMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000408087518 379993186 /nfs/dbraw/zinc/99/31/86/379993186.db2.gz BMNTZECHQWEXIF-BXKDBHETSA-N 1 1 288.395 3.185 10 0 CGAEMO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(Cl)c1Cl ZINC000414789888 380406824 /nfs/dbraw/zinc/40/68/24/380406824.db2.gz FZMAAVQYTFYFER-BXKDBHETSA-N 1 1 273.207 3.210 10 0 CGAEMO Clc1cccc(C[N@H+]2C[C@@H]3CCCCC[C@H]32)n1 ZINC000363154969 382188973 /nfs/dbraw/zinc/18/89/73/382188973.db2.gz CJOUFERXWZRKCV-WCQYABFASA-N 1 1 250.773 3.500 10 0 CGAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)[C@H]2CCCC[C@H]2C)o1 ZINC000248590636 542336286 /nfs/dbraw/zinc/33/62/86/542336286.db2.gz KXQOIAJYLOBILE-SNPRPXQTSA-N 1 1 292.423 3.276 10 0 CGAEMO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000249065022 542338661 /nfs/dbraw/zinc/33/86/61/542338661.db2.gz IPKLERFKJRUDAA-YESZJQIVSA-N 1 1 273.424 3.340 10 0 CGAEMO C[N@H+]1CC[C@H](OCc2ccncc2)[C@H](Cc2ccccc2)C1 ZINC000248137993 256691790 /nfs/dbraw/zinc/69/17/90/256691790.db2.gz PHAQLPBOQWWQPH-MOPGFXCFSA-N 1 1 296.414 3.161 10 0 CGAEMO C[N@@H+](CCCOCc1ccccc1)C[C@@H]1CCC[C@@H](O)C1 ZINC000383794396 542601298 /nfs/dbraw/zinc/60/12/98/542601298.db2.gz XJIZOHPKIBQRHX-QZTJIDSGSA-N 1 1 291.435 3.076 10 0 CGAEMO CCn1nc(C)c([C@@H](C)NCC[NH+]2CCCCCC2)c1C ZINC000045172188 391988866 /nfs/dbraw/zinc/98/88/66/391988866.db2.gz MJQIPAFKMZOFBS-CQSZACIVSA-N 1 1 292.471 3.046 10 0 CGAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000048769442 392013125 /nfs/dbraw/zinc/01/31/25/392013125.db2.gz XTVXKTLHLRHPSD-GFCCVEGCSA-N 1 1 295.814 3.254 10 0 CGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(CC)CC)C1 ZINC000105852220 392295224 /nfs/dbraw/zinc/29/52/24/392295224.db2.gz MXQQVVAQMXEXLB-CQSZACIVSA-N 1 1 277.412 3.045 10 0 CGAEMO CC(C)=CC[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246523883 131094394 /nfs/dbraw/zinc/09/43/94/131094394.db2.gz CFBJKUHOHGSPDC-WFASDCNBSA-N 1 1 267.319 3.039 10 0 CGAEMO CC(C)=CC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246523883 131094392 /nfs/dbraw/zinc/09/43/92/131094392.db2.gz CFBJKUHOHGSPDC-WFASDCNBSA-N 1 1 267.319 3.039 10 0 CGAEMO Cc1ccc([C@H]2CCCC[N@H+]2CC[C@H]2CCOC2=O)o1 ZINC000252659276 131136266 /nfs/dbraw/zinc/13/62/66/131136266.db2.gz MCNFFOOIEQXFOJ-UONOGXRCSA-N 1 1 277.364 3.068 10 0 CGAEMO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000253092889 131140282 /nfs/dbraw/zinc/14/02/82/131140282.db2.gz LNFUJXXUIRFLBT-RCCFBDPRSA-N 1 1 289.419 3.081 10 0 CGAEMO COc1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253086424 131140520 /nfs/dbraw/zinc/14/05/20/131140520.db2.gz BLJLPEAHSRRSJD-BRWVUGGUSA-N 1 1 289.419 3.211 10 0 CGAEMO Cc1nnc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)[nH]1 ZINC000293052893 392518754 /nfs/dbraw/zinc/51/87/54/392518754.db2.gz FYRQDXNBTFIUGJ-NSHDSACASA-N 1 1 266.348 3.117 10 0 CGAEMO Cc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c2cc(F)ccc2n1 ZINC000301678328 392596928 /nfs/dbraw/zinc/59/69/28/392596928.db2.gz QYSSPMRIFOFRRL-DIFFPNOSSA-N 1 1 287.382 3.069 10 0 CGAEMO CCc1nnc(C[N@H+]2CCCC3(CCCCC3)CC2)n1C ZINC000190317849 392814353 /nfs/dbraw/zinc/81/43/53/392814353.db2.gz ISAPIMQRENKKGN-UHFFFAOYSA-N 1 1 290.455 3.314 10 0 CGAEMO Cc1ccc(-c2noc([C@@H]3CCCc4[nH+]ccn43)n2)cc1 ZINC000377780179 392888734 /nfs/dbraw/zinc/88/87/34/392888734.db2.gz QKIQXGSNLDWPFK-ZDUSSCGKSA-N 1 1 280.331 3.167 10 0 CGAEMO CCc1ccc(C[N@H+]2C[C@H]3CCCCN3C[C@@H]2C)s1 ZINC000219822495 393002540 /nfs/dbraw/zinc/00/25/40/393002540.db2.gz HJWNQVAWJMKYME-UONOGXRCSA-N 1 1 278.465 3.369 10 0 CGAEMO CCc1ccc(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)s1 ZINC000219822495 393002548 /nfs/dbraw/zinc/00/25/48/393002548.db2.gz HJWNQVAWJMKYME-UONOGXRCSA-N 1 1 278.465 3.369 10 0 CGAEMO CCc1ccc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)s1 ZINC000219822495 393002555 /nfs/dbraw/zinc/00/25/55/393002555.db2.gz HJWNQVAWJMKYME-UONOGXRCSA-N 1 1 278.465 3.369 10 0 CGAEMO Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H]1CCCn2ncnc21 ZINC000186188700 292088715 /nfs/dbraw/zinc/08/87/15/292088715.db2.gz RIAQPVOGYBOZER-HZPDHXFCSA-N 1 1 296.418 3.397 10 0 CGAEMO COc1cccc([C@H](C)[N@H+]2CCS[C@H](C)C2)c1 ZINC000079413908 287056473 /nfs/dbraw/zinc/05/64/73/287056473.db2.gz QOQJYHLSUXGGNX-NEPJUHHUSA-N 1 1 251.395 3.194 10 0 CGAEMO CCCCN1CCC([NH2+][C@H]2CC[C@@H](CC)C2)CC1 ZINC000080456531 287065710 /nfs/dbraw/zinc/06/57/10/287065710.db2.gz UNDAGHQAWNSQGG-ZBFHGGJFSA-N 1 1 252.446 3.419 10 0 CGAEMO CC(C)Oc1cccc(C[NH+]2[C@H](C)COC[C@H]2C)c1 ZINC000077368566 165118841 /nfs/dbraw/zinc/11/88/41/165118841.db2.gz HUXNFDOTGXWIRW-ZIAGYGMSSA-N 1 1 263.381 3.083 10 0 CGAEMO COc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3ccon3)C2)cc1 ZINC000077318263 165120115 /nfs/dbraw/zinc/12/01/15/165120115.db2.gz QKMAKQXQZGZOBX-JSGCOSHPSA-N 1 1 272.348 3.061 10 0 CGAEMO Cc1ccc([C@H](C)Nc2cc[nH+]c(N(C)C)n2)cc1F ZINC000088521515 165194054 /nfs/dbraw/zinc/19/40/54/165194054.db2.gz VARAPANLCGKLMF-NSHDSACASA-N 1 1 274.343 3.163 10 0 CGAEMO OCCC[C@H]1CCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000092784864 165313959 /nfs/dbraw/zinc/31/39/59/165313959.db2.gz MVGUUVNQMQVNTR-GFCCVEGCSA-N 1 1 271.763 3.216 10 0 CGAEMO c1coc([C@@H]([NH2+]CCN2CCCC2)c2ccccc2)c1 ZINC000020126938 171011657 /nfs/dbraw/zinc/01/16/57/171011657.db2.gz WKYNYDLKBYGPLA-KRWDZBQOSA-N 1 1 270.376 3.054 10 0 CGAEMO Oc1ccc(C[NH2+]Cc2nc3ccccc3s2)cc1 ZINC000020135888 171023252 /nfs/dbraw/zinc/02/32/52/171023252.db2.gz OTRPJLOOYGSTJJ-UHFFFAOYSA-N 1 1 270.357 3.292 10 0 CGAEMO CC(C)[C@H](CNCc1ccc(Cl)cc1)[NH+](C)C ZINC000020145409 171030444 /nfs/dbraw/zinc/03/04/44/171030444.db2.gz HZHDJLKIUPCHIJ-AWEZNQCLSA-N 1 1 254.805 3.016 10 0 CGAEMO CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1F)N(C)C ZINC000020145642 171030779 /nfs/dbraw/zinc/03/07/79/171030779.db2.gz KPTWNEKVLSDALK-DOMZBBRYSA-N 1 1 252.377 3.063 10 0 CGAEMO CSc1ccc(CNC[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000020145929 171031869 /nfs/dbraw/zinc/03/18/69/171031869.db2.gz VQMQOWWGAAGTIV-HNNXBMFYSA-N 1 1 266.454 3.084 10 0 CGAEMO COc1cccc([C@H](CN)[N@@H+](C)CC2CCCCC2)c1 ZINC000020225835 171089843 /nfs/dbraw/zinc/08/98/43/171089843.db2.gz KRLVCGDCMPZPDT-KRWDZBQOSA-N 1 1 276.424 3.207 10 0 CGAEMO COc1cccc([C@H](C[NH3+])N(C)CC2CCCCC2)c1 ZINC000020225835 171089845 /nfs/dbraw/zinc/08/98/45/171089845.db2.gz KRLVCGDCMPZPDT-KRWDZBQOSA-N 1 1 276.424 3.207 10 0 CGAEMO Fc1ccc(C[NH2+]Cc2ccncc2)c(Cl)c1 ZINC000021012280 171287545 /nfs/dbraw/zinc/28/75/45/171287545.db2.gz XRIAFXUKPHKJAG-UHFFFAOYSA-N 1 1 250.704 3.164 10 0 CGAEMO CCCOc1ccc([C@@H]([NH3+])CN2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000021787168 171322861 /nfs/dbraw/zinc/32/28/61/171322861.db2.gz WVTAJYGXZXOOHO-RKVPGOIHSA-N 1 1 290.451 3.453 10 0 CGAEMO CCCOc1ccc([C@H](N)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000021787165 171323013 /nfs/dbraw/zinc/32/30/13/171323013.db2.gz WVTAJYGXZXOOHO-RVKKMQEKSA-N 1 1 290.451 3.453 10 0 CGAEMO CCCOc1ccc([C@H]([NH3+])CN2C[C@H](C)C[C@H](C)C2)cc1 ZINC000021787165 171323014 /nfs/dbraw/zinc/32/30/14/171323014.db2.gz WVTAJYGXZXOOHO-RVKKMQEKSA-N 1 1 290.451 3.453 10 0 CGAEMO CC[N@@H+]([C@@H](CN)c1cccc(OC)c1)C1CCCCC1 ZINC000022168989 171367156 /nfs/dbraw/zinc/36/71/56/171367156.db2.gz QCZZDVZHRZZKII-KRWDZBQOSA-N 1 1 276.424 3.350 10 0 CGAEMO 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274.191 3.339 10 0 CGAEMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000384865799 336133404 /nfs/dbraw/zinc/13/34/04/336133404.db2.gz FGIOZCGSVVWPEV-BXKDBHETSA-N 1 1 274.191 3.339 10 0 CGAEMO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1CCCCN1 ZINC000385968796 336163568 /nfs/dbraw/zinc/16/35/68/336163568.db2.gz GLURQKLFVSYAJJ-IKWCTNDRSA-N 1 1 278.362 3.228 10 0 CGAEMO CC(C)[NH2+]C[C@H](C)CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482239 519724465 /nfs/dbraw/zinc/72/44/65/519724465.db2.gz UFKIULDKSDEJIN-HRCADAONSA-N 1 1 252.446 3.133 10 0 CGAEMO CC(C)[C@@H]1C[N@@H+](C2CCCCC2)[C@H](C(C)C)CN1 ZINC000062624636 519804515 /nfs/dbraw/zinc/80/45/15/519804515.db2.gz FAHRBYHAKGCARK-HOTGVXAUSA-N 1 1 252.446 3.274 10 0 CGAEMO C[C@H](CC1CCCCC1)C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000172168083 533776318 /nfs/dbraw/zinc/77/63/18/533776318.db2.gz NXCLQEBBRVFZCH-OAHLLOKOSA-N 1 1 292.467 3.290 10 0 CGAEMO Cc1cc[nH+]c(N[C@H](C)COCc2ccccc2)c1 ZINC000178057971 534406737 /nfs/dbraw/zinc/40/67/37/534406737.db2.gz OPRHGAJRRQYGMW-CQSZACIVSA-N 1 1 256.349 3.407 10 0 CGAEMO CC(C)C[C@@H]1CN[C@H](C)C[N@H+]1CCCc1ccccc1 ZINC000062668187 519273970 /nfs/dbraw/zinc/27/39/70/519273970.db2.gz XPECTFUMFPKFSG-SJLPKXTDSA-N 1 1 274.452 3.328 10 0 CGAEMO CC(C)C[C@@H]1C[NH2+][C@H](C)CN1CCCc1ccccc1 ZINC000062668187 519273975 /nfs/dbraw/zinc/27/39/75/519273975.db2.gz XPECTFUMFPKFSG-SJLPKXTDSA-N 1 1 274.452 3.328 10 0 CGAEMO CC(C)[C@H](CNC1CC1)[N@@H+](C)C1CCC(C)CC1 ZINC000052345300 519815861 /nfs/dbraw/zinc/81/58/61/519815861.db2.gz ULJZLJKFEGEZGQ-BCLQGDPASA-N 1 1 252.446 3.274 10 0 CGAEMO CC(C)[C@H](C[NH2+]C1CC1)N(C)C1CCC(C)CC1 ZINC000052345300 519815862 /nfs/dbraw/zinc/81/58/62/519815862.db2.gz ULJZLJKFEGEZGQ-BCLQGDPASA-N 1 1 252.446 3.274 10 0 CGAEMO CCCCCC[N@H+]1C[C@H](C)NC[C@@H]1Cc1ccccc1 ZINC000062668193 520080975 /nfs/dbraw/zinc/08/09/75/520080975.db2.gz QKOKXOGQQLZPPS-WMZOPIPTSA-N 1 1 274.452 3.472 10 0 CGAEMO CCCCCCN1C[C@H](C)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000062668193 520080985 /nfs/dbraw/zinc/08/09/85/520080985.db2.gz QKOKXOGQQLZPPS-WMZOPIPTSA-N 1 1 274.452 3.472 10 0 CGAEMO CCCNc1ccc(Cl)c(C[NH+](CC)CC)n1 ZINC000061630646 520161661 /nfs/dbraw/zinc/16/16/61/520161661.db2.gz JSKHKCJJESMSFC-UHFFFAOYSA-N 1 1 255.793 3.399 10 0 CGAEMO CC1(C)C[N@@H+](C2CCCC2)[C@H](c2ccccc2)CN1 ZINC000062626777 520462439 /nfs/dbraw/zinc/46/24/39/520462439.db2.gz ZJLJDPHTKGRDOD-INIZCTEOSA-N 1 1 258.409 3.354 10 0 CGAEMO CCCOc1cccc2c(N)c3c([nH+]c12)CCCC3 ZINC000050868908 520471183 /nfs/dbraw/zinc/47/11/83/520471183.db2.gz IBDODBCEBPQFSU-UHFFFAOYSA-N 1 1 256.349 3.485 10 0 CGAEMO CC[N@H+]1C[C@H](c2ccccc2)NC[C@@H]1c1ccccc1 ZINC000062662853 521730006 /nfs/dbraw/zinc/73/00/06/521730006.db2.gz UGQVGGYNXLZOIW-QZTJIDSGSA-N 1 1 266.388 3.394 10 0 CGAEMO CCN1C[C@H](c2ccccc2)[NH2+]C[C@@H]1c1ccccc1 ZINC000062662853 521730007 /nfs/dbraw/zinc/73/00/07/521730007.db2.gz UGQVGGYNXLZOIW-QZTJIDSGSA-N 1 1 266.388 3.394 10 0 CGAEMO C[N@@H+](CCCCC(N)=S)Cc1ccccc1Cl ZINC000049582752 522728106 /nfs/dbraw/zinc/72/81/06/522728106.db2.gz GFHMDSVNAYSTSI-UHFFFAOYSA-N 1 1 270.829 3.228 10 0 CGAEMO CC[C@H]1CCC[N@@H+]1[C@@H](CN)c1ccc(F)c(C)c1 ZINC000050546154 523112664 /nfs/dbraw/zinc/11/26/64/523112664.db2.gz BEWHXILTWGMQPM-ZFWWWQNUSA-N 1 1 250.361 3.008 10 0 CGAEMO CC[C@H]1CCC[N@H+]1[C@@H](CN)c1ccc(F)c(C)c1 ZINC000050546154 523112676 /nfs/dbraw/zinc/11/26/76/523112676.db2.gz BEWHXILTWGMQPM-ZFWWWQNUSA-N 1 1 250.361 3.008 10 0 CGAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(C(F)F)cc1 ZINC000183946372 524689063 /nfs/dbraw/zinc/68/90/63/524689063.db2.gz FHXRFAQEGRDWRJ-SWLSCSKDSA-N 1 1 280.362 3.293 10 0 CGAEMO C[C@@H](Cc1ccsc1)n1c[nH+]c2cc(N)ccc21 ZINC000052855205 524941296 /nfs/dbraw/zinc/94/12/96/524941296.db2.gz WPRZPJGCJKNGNC-JTQLQIEISA-N 1 1 257.362 3.484 10 0 CGAEMO Cc1cc([C@@H](CN)[N@H+](C)[C@@H](C)C(C)C)ccc1F ZINC000050546083 525480577 /nfs/dbraw/zinc/48/05/77/525480577.db2.gz KOYQJKRNSYDISB-SWLSCSKDSA-N 1 1 252.377 3.110 10 0 CGAEMO Cc1cc([C@@H](C[NH3+])N(C)[C@@H](C)C(C)C)ccc1F ZINC000050546083 525480584 /nfs/dbraw/zinc/48/05/84/525480584.db2.gz KOYQJKRNSYDISB-SWLSCSKDSA-N 1 1 252.377 3.110 10 0 CGAEMO c1csc(C2=CC[N@@H+](Cc3ccncc3)CC2)c1 ZINC000156129060 526578028 /nfs/dbraw/zinc/57/80/28/526578028.db2.gz YCKIDDGYGXHBMY-UHFFFAOYSA-N 1 1 256.374 3.432 10 0 CGAEMO Cc1oc(CN)cc1C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000052513835 526768622 /nfs/dbraw/zinc/76/86/22/526768622.db2.gz LYGLSXJBKSISCR-FZMZJTMJSA-N 1 1 250.386 3.057 10 0 CGAEMO Cc1oc(CN)cc1C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000052513835 526768616 /nfs/dbraw/zinc/76/86/16/526768616.db2.gz LYGLSXJBKSISCR-FZMZJTMJSA-N 1 1 250.386 3.057 10 0 CGAEMO OCC1(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)CCCC1 ZINC000051293766 527523021 /nfs/dbraw/zinc/52/30/21/527523021.db2.gz VGFJIJZIDZHCDJ-GJZGRUSLSA-N 1 1 251.414 3.051 10 0 CGAEMO CC(C)c1ccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000106175510 535371260 /nfs/dbraw/zinc/37/12/60/535371260.db2.gz WCYSAFWHLAYYCE-KRWDZBQOSA-N 1 1 298.434 3.314 10 0 CGAEMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000106175512 535371397 /nfs/dbraw/zinc/37/13/97/535371397.db2.gz WCYSAFWHLAYYCE-QGZVFWFLSA-N 1 1 298.434 3.314 10 0 CGAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](CC(C)(C)O)C2)n1 ZINC000127823317 535378218 /nfs/dbraw/zinc/37/82/18/535378218.db2.gz XNAGCBCECKZJOQ-GFCCVEGCSA-N 1 1 282.453 3.217 10 0 CGAEMO CCc1nccn1[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000106213158 536174054 /nfs/dbraw/zinc/17/40/54/536174054.db2.gz UYFXJSXFHZSSNO-OAHLLOKOSA-N 1 1 261.413 3.273 10 0 CGAEMO Cc1csc([C@H]2CCC[N@@H+](C/C=C\Cl)C2)n1 ZINC000255275932 618147614 /nfs/dbraw/zinc/14/76/14/618147614.db2.gz FMJMCJGCTXZTEO-MZBZXASESA-N 1 1 256.802 3.383 10 0 CGAEMO C[C@H](CCNc1cc[nH+]cc1Cl)NC(=O)OC(C)(C)C ZINC000176887971 618753353 /nfs/dbraw/zinc/75/33/53/618753353.db2.gz UCUWQVRIUAUHHR-SNVBAGLBSA-N 1 1 299.802 3.450 10 0 CGAEMO CC(C)C[N@@H+](C)C[C@@H](O)c1ccc2ccccc2c1 ZINC000044129612 622534579 /nfs/dbraw/zinc/53/45/79/622534579.db2.gz XMXUXUMYTNZEAE-QGZVFWFLSA-N 1 1 257.377 3.461 10 0 CGAEMO Cc1ccc(-c2noc([C@H]([NH3+])CC(C)C)n2)s1 ZINC000075730012 623246757 /nfs/dbraw/zinc/24/67/57/623246757.db2.gz ADLWGPKAJLVTGY-SECBINFHSA-N 1 1 251.355 3.152 10 0 CGAEMO CC(C)C[C@@H]([NH3+])c1nc(-c2ccc3ncccc3c2)no1 ZINC000062801483 623268198 /nfs/dbraw/zinc/26/81/98/623268198.db2.gz IFVJDKZIENWUMY-CYBMUJFWSA-N 1 1 282.347 3.331 10 0 CGAEMO CCOc1cc(F)ccc1[C@H]1CCC[N@@H+](CC)C1 ZINC000757572825 630509966 /nfs/dbraw/zinc/50/99/66/630509966.db2.gz UGZLNUGWOZKGRS-LBPRGKRZSA-N 1 1 251.345 3.424 10 0 CGAEMO C[C@@H]([NH2+]CC[S@@](C)=O)c1c(Cl)ccc(F)c1Cl ZINC000131409572 636653027 /nfs/dbraw/zinc/65/30/27/636653027.db2.gz AGRXUNBXBFZZME-GJEGPGMTSA-N 1 1 298.210 3.162 10 0 CGAEMO Nc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2Cl)nn1 ZINC000886080377 637401933 /nfs/dbraw/zinc/40/19/33/637401933.db2.gz PIBMSZCBADOALC-CQSZACIVSA-N 1 1 288.782 3.049 10 0 CGAEMO Nc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2Cl)nn1 ZINC000886080377 637401957 /nfs/dbraw/zinc/40/19/57/637401957.db2.gz PIBMSZCBADOALC-CQSZACIVSA-N 1 1 288.782 3.049 10 0 CGAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc3ccccc3c2)C1 ZINC000194314067 640525779 /nfs/dbraw/zinc/52/57/79/640525779.db2.gz UVRKFHMAPFWEPI-QGZVFWFLSA-N 1 1 297.402 3.446 10 0 CGAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccccc1C ZINC000090227048 282101333 /nfs/dbraw/zinc/10/13/33/282101333.db2.gz NZLXBDHOJZHGSA-WFASDCNBSA-N 1 1 270.380 3.081 10 0 CGAEMO CC(C)(C)c1[nH]c2c(cc(Br)cc2N)[nH+]1 ZINC000096947140 185136788 /nfs/dbraw/zinc/13/67/88/185136788.db2.gz DPDXUJIBYABBCY-UHFFFAOYSA-N 1 1 268.158 3.205 10 0 CGAEMO CCC(CC)[N@@H+](CC(C)C)C[C@H](O)COC(C)(C)C ZINC000177064798 282178017 /nfs/dbraw/zinc/17/80/17/282178017.db2.gz WCFGMXUFUMCRBU-HNNXBMFYSA-N 1 1 273.461 3.309 10 0 CGAEMO CCc1nc(C)c(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)o1 ZINC000428242065 529721877 /nfs/dbraw/zinc/72/18/77/529721877.db2.gz FCGMIPJUQFZLRT-OAHLLOKOSA-N 1 1 292.423 3.469 10 0 CGAEMO CC(C)OCC[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000066897165 345309981 /nfs/dbraw/zinc/30/99/81/345309981.db2.gz CZYREKBBOGHWNJ-INIZCTEOSA-N 1 1 277.408 3.264 10 0 CGAEMO C[C@H]1C[N@@H+](Cc2ccccc2)C2(CCCCC2)CN1 ZINC000068698893 345358469 /nfs/dbraw/zinc/35/84/69/345358469.db2.gz AGLSFLMZFCGCGP-HNNXBMFYSA-N 1 1 258.409 3.183 10 0 CGAEMO C[C@H]1CN(Cc2ccccc2)C2(CCCCC2)C[NH2+]1 ZINC000068698893 345358472 /nfs/dbraw/zinc/35/84/72/345358472.db2.gz AGLSFLMZFCGCGP-HNNXBMFYSA-N 1 1 258.409 3.183 10 0 CGAEMO C[C@H]1SCCN(c2cc[nH+]cc2Br)[C@H]1C ZINC000133738757 346078644 /nfs/dbraw/zinc/07/86/44/346078644.db2.gz JZOFTTAGYBDNMY-DTWKUNHWSA-N 1 1 287.226 3.174 10 0 CGAEMO COc1c(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c(C)nn1C ZINC000127576749 187316828 /nfs/dbraw/zinc/31/68/28/187316828.db2.gz FJMRWBYPYPMOOD-BBRMVZONSA-N 1 1 299.418 3.115 10 0 CGAEMO Clc1sc([C@H]2[NH2+]CCS2)cc1Br ZINC000227943212 346312083 /nfs/dbraw/zinc/31/20/83/346312083.db2.gz UHTFYRGSTSCNSC-ZETCQYMHSA-N 1 1 284.631 3.499 10 0 CGAEMO CC(C)(C)c1cnc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000128407204 187368323 /nfs/dbraw/zinc/36/83/23/187368323.db2.gz WSWPXKJDVHSLFF-CXAGYDPISA-N 1 1 292.423 3.099 10 0 CGAEMO CC(C)(C)c1cnc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000128407204 187368324 /nfs/dbraw/zinc/36/83/24/187368324.db2.gz WSWPXKJDVHSLFF-CXAGYDPISA-N 1 1 292.423 3.099 10 0 CGAEMO C[C@@H]1[C@@H](Nc2ccnc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000306729068 346457156 /nfs/dbraw/zinc/45/71/56/346457156.db2.gz OGFAKZWOLTWHSZ-CJNGLKHVSA-N 1 1 285.366 3.296 10 0 CGAEMO Cc1ccncc1N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000307398128 346462157 /nfs/dbraw/zinc/46/21/57/346462157.db2.gz XUHIIMICZOLEBA-RDJZCZTQSA-N 1 1 281.403 3.465 10 0 CGAEMO CSCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390848238 346575087 /nfs/dbraw/zinc/57/50/87/346575087.db2.gz GTGZBRRKGRXSPU-ALOPSCKCSA-N 1 1 290.476 3.135 10 0 CGAEMO Cc1nc([C@@H](C)Nc2cc[nH+]cc2Cl)cs1 ZINC000335607293 212319695 /nfs/dbraw/zinc/31/96/95/212319695.db2.gz JSMHWDGTBTXCCK-SSDOTTSWSA-N 1 1 253.758 3.095 10 0 CGAEMO CC(=O)Nc1cccc([C@@H]2c3ccccc3CC[N@@H+]2C)c1 ZINC000616587622 348836748 /nfs/dbraw/zinc/83/67/48/348836748.db2.gz ZFKBPBWZMSNAQA-GOSISDBHSA-N 1 1 280.371 3.222 10 0 CGAEMO CC(C)(C)[N@H+]1CCc2ccccc2[C@@H]1c1ccnc(N)c1 ZINC000616585206 348836832 /nfs/dbraw/zinc/83/68/32/348836832.db2.gz MUWPXGMUXJSDIJ-KRWDZBQOSA-N 1 1 281.403 3.240 10 0 CGAEMO C[N@H+]1CCc2ccccc2[C@@H]1c1cc2ccccc2nn1 ZINC000616586320 348837224 /nfs/dbraw/zinc/83/72/24/348837224.db2.gz GOFCPTLDWLKEIK-GOSISDBHSA-N 1 1 275.355 3.207 10 0 CGAEMO CC(C)(C)[N@H+]1CCO[C@@H](c2cccc3nnccc32)CC1 ZINC000616596243 348839600 /nfs/dbraw/zinc/83/96/00/348839600.db2.gz TZQUBKDMTJSFFY-MRXNPFEDSA-N 1 1 285.391 3.192 10 0 CGAEMO CC(C)[N@H+]1CCOCC[C@H]1c1cnc2ccccc2c1 ZINC000616597118 348840228 /nfs/dbraw/zinc/84/02/28/348840228.db2.gz ATIISXMITVGAGD-KRWDZBQOSA-N 1 1 270.376 3.407 10 0 CGAEMO CC(C)[N@H+]1CCCC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616604970 348843027 /nfs/dbraw/zinc/84/30/27/348843027.db2.gz HXOPLYQLZVPGLW-QGZVFWFLSA-N 1 1 261.409 3.199 10 0 CGAEMO OCC[N@H+]1CCCCC[C@H]1c1cccc2cccnc21 ZINC000616625575 348850597 /nfs/dbraw/zinc/85/05/97/348850597.db2.gz QITLSBLHKTZXPB-INIZCTEOSA-N 1 1 270.376 3.144 10 0 CGAEMO OCC[N@H+]1CCCCC[C@H]1c1cncc2ccccc21 ZINC000616629479 348851947 /nfs/dbraw/zinc/85/19/47/348851947.db2.gz JVGLAGQMEXBRBE-KRWDZBQOSA-N 1 1 270.376 3.144 10 0 CGAEMO CC(C)[N@H+]1CCCOC[C@H]1c1ccc2cnccc2c1 ZINC000616644481 348854938 /nfs/dbraw/zinc/85/49/38/348854938.db2.gz DISBPRLTUULPAH-KRWDZBQOSA-N 1 1 270.376 3.407 10 0 CGAEMO CC(C)(C)[N@H+]1CCO[C@H](c2cccc3ccncc32)C1 ZINC000616646705 348855688 /nfs/dbraw/zinc/85/56/88/348855688.db2.gz MECYKQRLMSEISG-INIZCTEOSA-N 1 1 270.376 3.407 10 0 CGAEMO CC[N@H+]1CCOCC[C@H]1c1cccc2cnccc21 ZINC000616655769 348857971 /nfs/dbraw/zinc/85/79/71/348857971.db2.gz AUXNSTUAFMRRLG-INIZCTEOSA-N 1 1 256.349 3.018 10 0 CGAEMO OCc1cccc([C@H]2CCOCC[N@H+]2Cc2ccccc2)c1 ZINC000616657495 348858957 /nfs/dbraw/zinc/85/89/57/348858957.db2.gz AWVFDUIKBOOZPM-LJQANCHMSA-N 1 1 297.398 3.143 10 0 CGAEMO c1ccc(C[N@H+]2CCOCC[C@@H]2c2ccccn2)cc1 ZINC000616661018 348858994 /nfs/dbraw/zinc/85/89/94/348858994.db2.gz XVJNOLZKQDLMIM-QGZVFWFLSA-N 1 1 268.360 3.045 10 0 CGAEMO CC(C)(C)[N@H+]1CCOC[C@H](c2cccc3cccnc32)C1 ZINC000616662004 348859090 /nfs/dbraw/zinc/85/90/90/348859090.db2.gz YFOKTXLTPUONQI-OAHLLOKOSA-N 1 1 284.403 3.449 10 0 CGAEMO c1ccc(C[N@H+]2CCO[C@@H](c3ccncc3)CC2)cc1 ZINC000616663586 348859803 /nfs/dbraw/zinc/85/98/03/348859803.db2.gz SYVDCYKLOJGBJK-QGZVFWFLSA-N 1 1 268.360 3.045 10 0 CGAEMO CC(C)(C)[N@H+]1CCc2ccccc2[C@@H]1c1cocn1 ZINC000616679740 348864750 /nfs/dbraw/zinc/86/47/50/348864750.db2.gz ZZONAWSRQMWZPP-OAHLLOKOSA-N 1 1 256.349 3.421 10 0 CGAEMO CC(C)[N@H+]1CCc2ccccc2[C@H]1c1ccc(C(N)=O)cc1 ZINC000616678962 348864797 /nfs/dbraw/zinc/86/47/97/348864797.db2.gz QHMGZCQUZIGIBP-GOSISDBHSA-N 1 1 294.398 3.141 10 0 CGAEMO OCC[N@H+]1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000616679475 348865110 /nfs/dbraw/zinc/86/51/10/348865110.db2.gz UNQOHALWYDRTCK-QGZVFWFLSA-N 1 1 287.790 3.280 10 0 CGAEMO CC(C)[N@H+]1CCO[C@H](c2cccc3ncccc32)CC1 ZINC000616687343 348868623 /nfs/dbraw/zinc/86/86/23/348868623.db2.gz VUJAGYUMSSNTRH-KRWDZBQOSA-N 1 1 270.376 3.407 10 0 CGAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C)C2)c1 ZINC000123048100 187067999 /nfs/dbraw/zinc/06/79/99/187067999.db2.gz IUIBTSXLTKBMHR-QGZVFWFLSA-N 1 1 287.382 3.476 10 0 CGAEMO Cc1cnn([C@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)c1 ZINC000122984651 187063857 /nfs/dbraw/zinc/06/38/57/187063857.db2.gz KIBUUVAUQDVNPC-HOTGVXAUSA-N 1 1 259.397 3.185 10 0 CGAEMO CO[C@@H](c1noc([C@H](C)[NH+]2CCCCCC2)n1)C1CC1 ZINC000328872536 202092472 /nfs/dbraw/zinc/09/24/72/202092472.db2.gz IVPWIWGCGGVGPI-WCQYABFASA-N 1 1 279.384 3.104 10 0 CGAEMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)cc1O ZINC000093335160 138344682 /nfs/dbraw/zinc/34/46/82/138344682.db2.gz SCDAGPSRYPLSGM-CYBMUJFWSA-N 1 1 273.332 3.331 10 0 CGAEMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc[nH]c2)CCN1Cc1ccccc1 ZINC000093318357 138345084 /nfs/dbraw/zinc/34/50/84/138345084.db2.gz QLDMJBNZZVYROW-APWZRJJASA-N 1 1 297.446 3.500 10 0 CGAEMO C[C@@H]1C[C@@H](N(C)Cc2cc[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000093318357 138345085 /nfs/dbraw/zinc/34/50/85/138345085.db2.gz QLDMJBNZZVYROW-APWZRJJASA-N 1 1 297.446 3.500 10 0 CGAEMO C[C@@H]1C[C@@H](N(C)Cc2cc[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000093318357 138345086 /nfs/dbraw/zinc/34/50/86/138345086.db2.gz QLDMJBNZZVYROW-APWZRJJASA-N 1 1 297.446 3.500 10 0 CGAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC1CCCC1 ZINC000106206985 138354148 /nfs/dbraw/zinc/35/41/48/138354148.db2.gz PLJRWYBLJYEDRK-OAHLLOKOSA-N 1 1 261.413 3.364 10 0 CGAEMO Cc1cnn([C@H]2CCC[N@@H+](CCc3ccc(C)cc3)C2)c1 ZINC000124654368 138377061 /nfs/dbraw/zinc/37/70/61/138377061.db2.gz KODYSXKPVHCELW-SFHVURJKSA-N 1 1 283.419 3.380 10 0 CGAEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3cnoc3C)C2)n1 ZINC000128435720 138393423 /nfs/dbraw/zinc/39/34/23/138393423.db2.gz ILFYITHKPAFLPP-GFCCVEGCSA-N 1 1 291.420 3.382 10 0 CGAEMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1nnc(C2CC2)n1C ZINC000177537128 189055325 /nfs/dbraw/zinc/05/53/25/189055325.db2.gz JEBCTJVBMLEXNW-XJKSGUPXSA-N 1 1 296.418 3.071 10 0 CGAEMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000179225481 189178475 /nfs/dbraw/zinc/17/84/75/189178475.db2.gz BHSJJSCUAHEJMI-GANRHZMWSA-N 1 1 296.418 3.094 10 0 CGAEMO Cc1cc(C[C@H](C)[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)n[nH]1 ZINC000180963961 189285295 /nfs/dbraw/zinc/28/52/95/189285295.db2.gz YBAVPZVQTXWPPD-FHSNZYRGSA-N 1 1 283.419 3.481 10 0 CGAEMO Cc1cccc(CCC[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000181114978 189289101 /nfs/dbraw/zinc/28/91/01/189289101.db2.gz NRUPCIPKTPVRLV-QGZVFWFLSA-N 1 1 283.419 3.151 10 0 CGAEMO CC(C)c1nnc(C[NH2+][C@H](C)c2cccc(Cl)c2)n1C ZINC000181419637 189296337 /nfs/dbraw/zinc/29/63/37/189296337.db2.gz IXPUJHRNOQLIND-LLVKDONJSA-N 1 1 292.814 3.443 10 0 CGAEMO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000119607138 370690618 /nfs/dbraw/zinc/69/06/18/370690618.db2.gz PZKGPMMNIRCUBZ-VXGBXAGGSA-N 1 1 251.374 3.376 10 0 CGAEMO CC[C@@H](C)C[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000119607138 370690620 /nfs/dbraw/zinc/69/06/20/370690620.db2.gz PZKGPMMNIRCUBZ-VXGBXAGGSA-N 1 1 251.374 3.376 10 0 CGAEMO C[C@H]1C[C@@H](Nc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000301622698 201101384 /nfs/dbraw/zinc/10/13/84/201101384.db2.gz OEASEYDBJINWQZ-GOEBONIOSA-N 1 1 267.376 3.157 10 0 CGAEMO CC(C)C[N@H+]1CCC[C@@H]1CNc1ncnc2sccc21 ZINC000301780221 201192662 /nfs/dbraw/zinc/19/26/62/201192662.db2.gz RFCVJIAEWDJSFF-GFCCVEGCSA-N 1 1 290.436 3.224 10 0 CGAEMO CC[S@](=O)[C@H]1CCC[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000301849215 201232300 /nfs/dbraw/zinc/23/23/00/201232300.db2.gz AEYKKCQDLGYBHX-PVUDRZGPSA-N 1 1 291.420 3.055 10 0 CGAEMO Cc1ccc([C@@H]2CCCC[N@H+]2CC[C@@H]2CCOC2=O)o1 ZINC000120713001 370794077 /nfs/dbraw/zinc/79/40/77/370794077.db2.gz MCNFFOOIEQXFOJ-KGLIPLIRSA-N 1 1 277.364 3.068 10 0 CGAEMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(C)on2)C12CCCC2 ZINC000121197335 370839551 /nfs/dbraw/zinc/83/95/51/370839551.db2.gz UCWUWMDEAOEOKA-LSDHHAIUSA-N 1 1 278.396 3.153 10 0 CGAEMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C)on2)C12CCCC2 ZINC000121197335 370839556 /nfs/dbraw/zinc/83/95/56/370839556.db2.gz UCWUWMDEAOEOKA-LSDHHAIUSA-N 1 1 278.396 3.153 10 0 CGAEMO COc1ccccc1-c1cccc2c1C[N@@H+](C)CC2 ZINC000001854861 368440619 /nfs/dbraw/zinc/44/06/19/368440619.db2.gz WRAZMKWJXODJHK-UHFFFAOYSA-N 1 1 253.345 3.350 10 0 CGAEMO C[N@H+]1CCc2ccccc2Cc2ccc(O)cc2CC1 ZINC000013679816 368661255 /nfs/dbraw/zinc/66/12/55/368661255.db2.gz ODBZJKXOIQSFOA-UHFFFAOYSA-N 1 1 267.372 3.013 10 0 CGAEMO CC[N@H+]1CCCC[C@H]1CCOC(=O)c1ccccc1 ZINC000033875288 368969233 /nfs/dbraw/zinc/96/92/33/368969233.db2.gz KZYIAMWAXIUXOA-HNNXBMFYSA-N 1 1 261.365 3.108 10 0 CGAEMO [NH3+][C@@H](c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000034939090 368980697 /nfs/dbraw/zinc/98/06/97/368980697.db2.gz JPRKAZKNJIKTAU-CYBMUJFWSA-N 1 1 257.724 3.264 10 0 CGAEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc(C)c(C)c3)C2)no1 ZINC000092814138 370102800 /nfs/dbraw/zinc/10/28/00/370102800.db2.gz OJIASCSZBGONCV-INIZCTEOSA-N 1 1 299.418 3.450 10 0 CGAEMO Cc1ccccc1[C@H](C)[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000094432221 370168352 /nfs/dbraw/zinc/16/83/52/370168352.db2.gz KDMCMMOVDJDUSH-JKSUJKDBSA-N 1 1 258.409 3.226 10 0 CGAEMO Cc1ccccc1[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094432221 370168356 /nfs/dbraw/zinc/16/83/56/370168356.db2.gz KDMCMMOVDJDUSH-JKSUJKDBSA-N 1 1 258.409 3.226 10 0 CGAEMO Cc1ccccc1[C@H](C)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094432221 370168360 /nfs/dbraw/zinc/16/83/60/370168360.db2.gz KDMCMMOVDJDUSH-JKSUJKDBSA-N 1 1 258.409 3.226 10 0 CGAEMO FC(F)(F)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095077053 370170720 /nfs/dbraw/zinc/17/07/20/370170720.db2.gz UEMXVBUOJKPHFF-CYBMUJFWSA-N 1 1 272.314 3.151 10 0 CGAEMO C[N@H+]1CCC(=C(c2ccccc2)c2ccccc2)[C@H](O)C1 ZINC000104833672 370348726 /nfs/dbraw/zinc/34/87/26/370348726.db2.gz UHJDDQNVJDJIKG-GOSISDBHSA-N 1 1 279.383 3.185 10 0 CGAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCC1CCCCC1 ZINC000113232108 370468367 /nfs/dbraw/zinc/46/83/67/370468367.db2.gz VBISSZJNQIUMIQ-GDBMZVCRSA-N 1 1 278.440 3.042 10 0 CGAEMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1F ZINC000114482212 370502791 /nfs/dbraw/zinc/50/27/91/370502791.db2.gz BBDYWJRRZYKYEP-OAHLLOKOSA-N 1 1 289.354 3.285 10 0 CGAEMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1F ZINC000114482212 370502794 /nfs/dbraw/zinc/50/27/94/370502794.db2.gz BBDYWJRRZYKYEP-OAHLLOKOSA-N 1 1 289.354 3.285 10 0 CGAEMO c1n[nH]cc1[C@H]1CCCC[N@@H+]1CCc1ccccc1 ZINC000114482498 370503057 /nfs/dbraw/zinc/50/30/57/370503057.db2.gz OMKLARRCODFPAD-MRXNPFEDSA-N 1 1 255.365 3.179 10 0 CGAEMO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116295143 370554845 /nfs/dbraw/zinc/55/48/45/370554845.db2.gz UMALQDLRXBPVBV-GXTWGEPZSA-N 1 1 278.396 3.110 10 0 CGAEMO CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116295143 370554849 /nfs/dbraw/zinc/55/48/49/370554849.db2.gz UMALQDLRXBPVBV-GXTWGEPZSA-N 1 1 278.396 3.110 10 0 CGAEMO C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116318960 370556406 /nfs/dbraw/zinc/55/64/06/370556406.db2.gz YMNNKXRSROGNDQ-NEPJUHHUSA-N 1 1 291.345 3.249 10 0 CGAEMO Cc1cccc(N[C@H]2CCN(c3ccccc3)C2)[nH+]1 ZINC000131188387 371088576 /nfs/dbraw/zinc/08/85/76/371088576.db2.gz KRLJDZPGEYEJIL-AWEZNQCLSA-N 1 1 253.349 3.081 10 0 CGAEMO CCCOc1ccc(C[N@H+]2CCS[C@H](C)C2)cc1OC ZINC000131388737 371104843 /nfs/dbraw/zinc/10/48/43/371104843.db2.gz KSIZIMSLGZDTPS-CYBMUJFWSA-N 1 1 295.448 3.421 10 0 CGAEMO CC(C)C[N@@H+](C[C@H](O)COC(C)(C)C)CC(C)(C)C ZINC000134956490 371379771 /nfs/dbraw/zinc/37/97/71/371379771.db2.gz RYHZCXZGWBTYMK-AWEZNQCLSA-N 1 1 273.461 3.167 10 0 CGAEMO CCc1csc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000157032270 372004066 /nfs/dbraw/zinc/00/40/66/372004066.db2.gz OKDNDMZBUMVHQA-AWEZNQCLSA-N 1 1 287.432 3.480 10 0 CGAEMO CCOc1ccccc1[C@@H](C)[NH2+]Cc1conc1C ZINC000293553981 372409223 /nfs/dbraw/zinc/40/92/23/372409223.db2.gz LLTSJUBUZKDCAI-GFCCVEGCSA-N 1 1 260.337 3.233 10 0 CGAEMO Cc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1C ZINC000164160199 372510259 /nfs/dbraw/zinc/51/02/59/372510259.db2.gz HHGIZQYLAWPTTB-HOCLYGCPSA-N 1 1 289.423 3.154 10 0 CGAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](CC)c1cccs1 ZINC000167793423 372602869 /nfs/dbraw/zinc/60/28/69/372602869.db2.gz OWUGBYCZSTXUMC-RYUDHWBXSA-N 1 1 290.436 3.478 10 0 CGAEMO Cc1cccc(Sc2ccc3[nH+]c(N)nc(N)c3c2)c1 ZINC000169337665 372629699 /nfs/dbraw/zinc/62/96/99/372629699.db2.gz LWXRYOPTVBPYQQ-UHFFFAOYSA-N 1 1 282.372 3.254 10 0 CGAEMO Cn1cc([C@@H]2CCC[N@H+]2CCc2ccccc2Cl)cn1 ZINC000171411020 372751935 /nfs/dbraw/zinc/75/19/35/372751935.db2.gz BOYQXKLYXGNWEG-INIZCTEOSA-N 1 1 289.810 3.453 10 0 CGAEMO Cc1nc(C[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)no1 ZINC000171405242 372752072 /nfs/dbraw/zinc/75/20/72/372752072.db2.gz MMEKZFYYIWKBOM-KRWDZBQOSA-N 1 1 299.418 3.265 10 0 CGAEMO CCCc1ccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000171503868 372776616 /nfs/dbraw/zinc/77/66/16/372776616.db2.gz UCKXIMBTCSNRIW-GOSISDBHSA-N 1 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ZINC000054602753 526743183 /nfs/dbraw/zinc/74/31/83/526743183.db2.gz LSNZIAGWCBNJME-NDNKKMJESA-N 1 1 279.453 3.165 10 0 CGAEMO CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171705943 529182360 /nfs/dbraw/zinc/18/23/60/529182360.db2.gz ARHRNDWGFAADPW-JKSUJKDBSA-N 1 1 270.380 3.066 10 0 CGAEMO CC[C@H](C)[C@@H](C)N(C(=O)N[C@@H]1CCC[N@@H+](CC)C1)C1CC1 ZINC000175361820 529202063 /nfs/dbraw/zinc/20/20/63/529202063.db2.gz JUWQYLGFSROYIX-RRFJBIMHSA-N 1 1 295.471 3.079 10 0 CGAEMO CC(C)[C@H]([NH3+])CCN(C)CCOc1cccc(Cl)c1 ZINC000123724651 535062476 /nfs/dbraw/zinc/06/24/76/535062476.db2.gz GZSAJGCSWKSHSH-OAHLLOKOSA-N 1 1 284.831 3.024 10 0 CGAEMO Brc1cnccc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712513994 567850749 /nfs/dbraw/zinc/85/07/49/567850749.db2.gz BNJBXXABYLCUTN-NSHDSACASA-N 1 1 295.205 3.141 10 0 CGAEMO CCc1[nH+]ccn1-c1ccc(C=O)c(Br)c1 ZINC000234148931 618007065 /nfs/dbraw/zinc/00/70/65/618007065.db2.gz SHYCWRSWHCMADW-UHFFFAOYSA-N 1 1 279.137 3.010 10 0 CGAEMO C[NH2+][C@H](C)c1nc(CSc2ccc(Cl)cc2)no1 ZINC000090244249 618344317 /nfs/dbraw/zinc/34/43/17/618344317.db2.gz KTTIRPODEIIJEQ-MRVPVSSYSA-N 1 1 283.784 3.296 10 0 CGAEMO Cc1cc(C)cc(Cc2noc([C@H]([NH3+])CC(C)C)n2)c1 ZINC000053749205 619022964 /nfs/dbraw/zinc/02/29/64/619022964.db2.gz AKLSJUWNQOJGHU-CQSZACIVSA-N 1 1 273.380 3.323 10 0 CGAEMO CC(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309703593 619048640 /nfs/dbraw/zinc/04/86/40/619048640.db2.gz GYKUAPOUDKQOHC-KRWDZBQOSA-N 1 1 290.407 3.033 10 0 CGAEMO Cc1cc(Cl)cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1O ZINC000245640272 619215250 /nfs/dbraw/zinc/21/52/50/619215250.db2.gz DFHKNYTUESHWPU-IUODEOHRSA-N 1 1 294.826 3.023 10 0 CGAEMO CCCCCC[C@@H](CC)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172291294 623241541 /nfs/dbraw/zinc/24/15/41/623241541.db2.gz YKAGEGUGRXEFGN-HZPDHXFCSA-N 1 1 280.456 3.290 10 0 CGAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CCCCCCC1 ZINC000172926765 623294573 /nfs/dbraw/zinc/29/45/73/623294573.db2.gz LTPDZTHBDYCNDS-GDBMZVCRSA-N 1 1 278.440 3.042 10 0 CGAEMO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)c1O ZINC000182075871 624936686 /nfs/dbraw/zinc/93/66/86/624936686.db2.gz BTTLYMDGKKUFRY-ZIAGYGMSSA-N 1 1 294.826 3.104 10 0 CGAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)c1O ZINC000182075871 624936691 /nfs/dbraw/zinc/93/66/91/624936691.db2.gz BTTLYMDGKKUFRY-ZIAGYGMSSA-N 1 1 294.826 3.104 10 0 CGAEMO CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000183094447 625048053 /nfs/dbraw/zinc/04/80/53/625048053.db2.gz ODJJWZPUKWMJHG-JSGCOSHPSA-N 1 1 280.412 3.324 10 0 CGAEMO CCn1c(C)nn(C[N@H+](CC)C2CCCCC2)c1=S ZINC000102388520 634738057 /nfs/dbraw/zinc/73/80/57/634738057.db2.gz KXGQPTTZIAYGIL-UHFFFAOYSA-N 1 1 282.457 3.355 10 0 CGAEMO CCn1c(C)nn(C[N@@H+](CC)C2CCCCC2)c1=S ZINC000102388520 634738062 /nfs/dbraw/zinc/73/80/62/634738062.db2.gz KXGQPTTZIAYGIL-UHFFFAOYSA-N 1 1 282.457 3.355 10 0 CGAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc3ccccc3c2)C1 ZINC000194314051 640525899 /nfs/dbraw/zinc/52/58/99/640525899.db2.gz UVRKFHMAPFWEPI-KRWDZBQOSA-N 1 1 297.402 3.446 10 0 CGAEMO CCCCC[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000246239140 640666395 /nfs/dbraw/zinc/66/63/95/640666395.db2.gz ZKSKCKBNTVJEBT-HOTGVXAUSA-N 1 1 280.456 3.146 10 0 CGAEMO CCc1ccc([C@H]2CCCC[N@H+]2CCC2OCCO2)o1 ZINC000124411023 187136724 /nfs/dbraw/zinc/13/67/24/187136724.db2.gz OVXOPXTZSGDZIE-CQSZACIVSA-N 1 1 279.380 3.132 10 0 CGAEMO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cncc(Cl)c1 ZINC000621289737 349490467 /nfs/dbraw/zinc/49/04/67/349490467.db2.gz OYXBSPHMWVBWGL-BZUAXINKSA-N 1 1 294.826 3.251 10 0 CGAEMO C[C@H]([NH3+])c1cnc(-c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000082517042 178078489 /nfs/dbraw/zinc/07/84/89/178078489.db2.gz KOUDWGOPXKUSBX-LURJTMIESA-N 1 1 256.136 3.403 10 0 CGAEMO CC(C)c1csc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000127756901 187330609 /nfs/dbraw/zinc/33/06/09/187330609.db2.gz RHECUWSNUPBJBI-LBPRGKRZSA-N 1 1 290.436 3.369 10 0 CGAEMO CC(C)c1csc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000127756901 187330611 /nfs/dbraw/zinc/33/06/11/187330611.db2.gz RHECUWSNUPBJBI-LBPRGKRZSA-N 1 1 290.436 3.369 10 0 CGAEMO CC[N@@H+]1CCCC12CCN(CCc1ccccc1)CC2 ZINC000096075206 185090394 /nfs/dbraw/zinc/09/03/94/185090394.db2.gz FMRQFJXZVULDDI-UHFFFAOYSA-N 1 1 272.436 3.179 10 0 CGAEMO CC[N@H+]1CCCC12CCN(CCc1ccccc1)CC2 ZINC000096075206 185090395 /nfs/dbraw/zinc/09/03/95/185090395.db2.gz FMRQFJXZVULDDI-UHFFFAOYSA-N 1 1 272.436 3.179 10 0 CGAEMO [NH3+][C@H](c1nc2c(s1)CCC2)c1ccc(Cl)cc1F ZINC000096795206 185115055 /nfs/dbraw/zinc/11/50/55/185115055.db2.gz LOADTXDFHFLXCT-LBPRGKRZSA-N 1 1 282.771 3.472 10 0 CGAEMO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CCCF ZINC000126590106 187249832 /nfs/dbraw/zinc/24/98/32/187249832.db2.gz YGVFXZGMQJCYCS-AWEZNQCLSA-N 1 1 251.345 3.198 10 0 CGAEMO c1cn(C[C@@H]2CCC[N@H+]2Cc2cc3ccccc3o2)cn1 ZINC000188418447 542247294 /nfs/dbraw/zinc/24/72/94/542247294.db2.gz SOQWAUOKTZESJT-HNNXBMFYSA-N 1 1 281.359 3.294 10 0 CGAEMO CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccccn1 ZINC000019957727 344891283 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ZINC000131128495 371086129 /nfs/dbraw/zinc/08/61/29/371086129.db2.gz AXBPONYKGDQGOW-KBPBESRZSA-N 1 1 284.407 3.335 10 0 CGAEMO C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000133379439 371246888 /nfs/dbraw/zinc/24/68/88/371246888.db2.gz NUURCLMBSGAMBT-IIAWOOMASA-N 1 1 261.413 3.383 10 0 CGAEMO CCO[C@H]1C[C@H]([N@H+](C)Cc2nccs2)C12CCCC2 ZINC000135199179 371399705 /nfs/dbraw/zinc/39/97/05/371399705.db2.gz YDYBJCFPVKGBSQ-STQMWFEESA-N 1 1 280.437 3.313 10 0 CGAEMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nccs2)C12CCCC2 ZINC000135199179 371399710 /nfs/dbraw/zinc/39/97/10/371399710.db2.gz YDYBJCFPVKGBSQ-STQMWFEESA-N 1 1 280.437 3.313 10 0 CGAEMO Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H](O)COC(C)(C)C)cc1 ZINC000151133572 371573803 /nfs/dbraw/zinc/57/38/03/371573803.db2.gz YDTJUNPDHJBUCI-RDJZCZTQSA-N 1 1 293.451 3.034 10 0 CGAEMO Fc1ccc(CC[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1F ZINC000153929551 371800318 /nfs/dbraw/zinc/80/03/18/371800318.db2.gz NGNMPBVCQXBQOH-MRXNPFEDSA-N 1 1 291.345 3.458 10 0 CGAEMO 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/nfs/dbraw/zinc/08/57/39/130085739.db2.gz UZWJPYQZPGEMLU-KBPBESRZSA-N 1 1 279.430 3.018 10 0 CGAEMO C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](O)C2)CCc2ccccc21 ZINC000404721425 542624777 /nfs/dbraw/zinc/62/47/77/542624777.db2.gz DYXBOFVOVJNWJM-INMHGKMJSA-N 1 1 273.420 3.199 10 0 CGAEMO C[N@H+](Cc1ccco1)Cc1ccc2ccccc2n1 ZINC000072823550 392212001 /nfs/dbraw/zinc/21/20/01/392212001.db2.gz UPLPOIKEDYJGKT-UHFFFAOYSA-N 1 1 252.317 3.460 10 0 CGAEMO C[N@@H+](Cc1ccco1)Cc1ccc2ccccc2n1 ZINC000072823550 392212002 /nfs/dbraw/zinc/21/20/02/392212002.db2.gz UPLPOIKEDYJGKT-UHFFFAOYSA-N 1 1 252.317 3.460 10 0 CGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC000105853053 392295171 /nfs/dbraw/zinc/29/51/71/392295171.db2.gz VBKJNBSINVJPCY-CYBMUJFWSA-N 1 1 277.412 3.045 10 0 CGAEMO c1ccc2c(c1)C=C(C[N@@H+]1CCO[C@@H]3CCCC[C@H]31)CO2 ZINC000245513137 131086236 /nfs/dbraw/zinc/08/62/36/131086236.db2.gz BXXVVNGDULUPBE-SJLPKXTDSA-N 1 1 285.387 3.106 10 0 CGAEMO c1ccc2c(c1)C=C(C[N@H+]1CCO[C@@H]3CCCC[C@H]31)CO2 ZINC000245513137 131086237 /nfs/dbraw/zinc/08/62/37/131086237.db2.gz BXXVVNGDULUPBE-SJLPKXTDSA-N 1 1 285.387 3.106 10 0 CGAEMO c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245514896 131086638 /nfs/dbraw/zinc/08/66/38/131086638.db2.gz GSKLHCIRACRQPE-SJORKVTESA-N 1 1 297.402 3.220 10 0 CGAEMO CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247402952 131103901 /nfs/dbraw/zinc/10/39/01/131103901.db2.gz YSGAGJJHEIESCM-WBVHZDCISA-N 1 1 284.407 3.141 10 0 CGAEMO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](C(C)C)CC2)n1C ZINC000114728876 392387454 /nfs/dbraw/zinc/38/74/54/392387454.db2.gz VEISUMQRVUDFPE-CQSZACIVSA-N 1 1 278.444 3.197 10 0 CGAEMO Cc1cc(N2CC=C(c3cccs3)CC2)nc(C)[nH+]1 ZINC000301292611 392587129 /nfs/dbraw/zinc/58/71/29/392587129.db2.gz QAOKIIKVSUUPIB-UHFFFAOYSA-N 1 1 271.389 3.449 10 0 CGAEMO c1csc([C@@H]2CCCC[N@H+]2C[C@@H]2CCC=CO2)n1 ZINC000193841291 392887793 /nfs/dbraw/zinc/88/77/93/392887793.db2.gz FIKCLZBKSKCPPT-STQMWFEESA-N 1 1 264.394 3.363 10 0 CGAEMO c1csc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCC=CO2)n1 ZINC000193841291 392887798 /nfs/dbraw/zinc/88/77/98/392887798.db2.gz FIKCLZBKSKCPPT-STQMWFEESA-N 1 1 264.394 3.363 10 0 CGAEMO Brc1c[nH+]ccc1N1C[C@H]2CCCC[C@H]21 ZINC000377978527 392890944 /nfs/dbraw/zinc/89/09/44/392890944.db2.gz SBVHTZMLFONZLA-MWLCHTKSSA-N 1 1 267.170 3.223 10 0 CGAEMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000381900875 392915061 /nfs/dbraw/zinc/91/50/61/392915061.db2.gz RHVRKHCWAWVPIV-QJPTWQEYSA-N 1 1 279.346 3.200 10 0 CGAEMO Cc1nnsc1C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000384301234 392924814 /nfs/dbraw/zinc/92/48/14/392924814.db2.gz YWLZMHNFTFHAAV-GFCCVEGCSA-N 1 1 289.404 3.239 10 0 CGAEMO Cc1cccc(C)c1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246432426 393057977 /nfs/dbraw/zinc/05/79/77/393057977.db2.gz NIGCYWLGRRQMEE-CABCVRRESA-N 1 1 289.423 3.154 10 0 CGAEMO O[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](c3ccccc3)C2)C1 ZINC000389113747 397691232 /nfs/dbraw/zinc/69/12/32/397691232.db2.gz QEBXBRMKMVERBP-DJIMGWMZSA-N 1 1 259.393 3.027 10 0 CGAEMO C[C@@H]1CCC[N@@H+](CCOc2cncc(Cl)c2)[C@H]1C ZINC000675075907 543313612 /nfs/dbraw/zinc/31/36/12/543313612.db2.gz GPVYOOSHCMUUMY-NEPJUHHUSA-N 1 1 268.788 3.234 10 0 CGAEMO CCC[C@@]1(C)CCC[N@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000076145529 165113358 /nfs/dbraw/zinc/11/33/58/165113358.db2.gz KLILZRBWZXWEDY-INIZCTEOSA-N 1 1 276.428 3.095 10 0 CGAEMO CCC[C@@]1(C)CCC[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000076145529 165113362 /nfs/dbraw/zinc/11/33/62/165113362.db2.gz KLILZRBWZXWEDY-INIZCTEOSA-N 1 1 276.428 3.095 10 0 CGAEMO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2Cl)o1 ZINC000088781233 165193793 /nfs/dbraw/zinc/19/37/93/165193793.db2.gz KHUHOCPVTPXMRM-JTQLQIEISA-N 1 1 250.729 3.487 10 0 CGAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000090223939 165230998 /nfs/dbraw/zinc/23/09/98/165230998.db2.gz YTCLFUYDJIBYNH-SJCJKPOMSA-N 1 1 296.418 3.261 10 0 CGAEMO C[C@@H]1C[C@H]1c1ccc(CN2CC[N@H+]3CCCC[C@@H]3C2)o1 ZINC000092616132 165305483 /nfs/dbraw/zinc/30/54/83/165305483.db2.gz HZJCEZAPDMURKC-IIAWOOMASA-N 1 1 274.408 3.073 10 0 CGAEMO CC[N@@H+](Cc1ccc(Cl)s1)C[C@@](C)(O)CC ZINC000123284768 287218080 /nfs/dbraw/zinc/21/80/80/287218080.db2.gz ZTUQWRPIFWJWAF-LBPRGKRZSA-N 1 1 261.818 3.384 10 0 CGAEMO COc1ccc([C@H]2CC[C@@H]3CCCC[N@H+]3C2)cc1OC ZINC000006018673 170168661 /nfs/dbraw/zinc/16/86/61/170168661.db2.gz WWZYSFVVLXIGSX-GJZGRUSLSA-N 1 1 275.392 3.436 10 0 CGAEMO C[C@@H]1CCC[N@H+](CC(=O)c2ccc(Br)cc2)C1 ZINC000009996510 170393766 /nfs/dbraw/zinc/39/37/66/170393766.db2.gz GRHQGWPCMYWMJL-LLVKDONJSA-N 1 1 296.208 3.364 10 0 CGAEMO C[C@@H]1CCC[N@@H+](CC(=O)c2ccc(Br)cc2)C1 ZINC000009996510 170393767 /nfs/dbraw/zinc/39/37/67/170393767.db2.gz GRHQGWPCMYWMJL-LLVKDONJSA-N 1 1 296.208 3.364 10 0 CGAEMO CC(C)[C@@H](C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)N(C)C ZINC000020145563 171031067 /nfs/dbraw/zinc/03/10/67/171031067.db2.gz MBUVMFHIUBQTRX-AEGPPILISA-N 1 1 264.413 3.079 10 0 CGAEMO CC(C)[C@H](CN[C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC000020145648 171031259 /nfs/dbraw/zinc/03/12/59/171031259.db2.gz VORHBVSLSGECOG-WFASDCNBSA-N 1 1 252.377 3.063 10 0 CGAEMO Cc1cccc([C@H](CN)[N@@H+](C)CCc2ccccc2)c1 ZINC000020225524 171089028 /nfs/dbraw/zinc/08/90/28/171089028.db2.gz UUFSLRPAVHQCRZ-SFHVURJKSA-N 1 1 268.404 3.169 10 0 CGAEMO Cc1cccc([C@H](C[NH3+])N(C)CCc2ccccc2)c1 ZINC000020225524 171089030 /nfs/dbraw/zinc/08/90/30/171089030.db2.gz UUFSLRPAVHQCRZ-SFHVURJKSA-N 1 1 268.404 3.169 10 0 CGAEMO COc1ccccc1[C@@H](CN)[N@H+](C)CC1CCCCC1 ZINC000020225784 171090141 /nfs/dbraw/zinc/09/01/41/171090141.db2.gz ANIKGQIDZXMOJX-MRXNPFEDSA-N 1 1 276.424 3.207 10 0 CGAEMO COc1ccccc1[C@@H](CN)[N@@H+](C)CC1CCCCC1 ZINC000020225784 171090142 /nfs/dbraw/zinc/09/01/42/171090142.db2.gz ANIKGQIDZXMOJX-MRXNPFEDSA-N 1 1 276.424 3.207 10 0 CGAEMO Cc1cc([C@@H](C)[NH2+]C[C@H](C(C)C)N(C)C)c(C)o1 ZINC000020439186 171203261 /nfs/dbraw/zinc/20/32/61/171203261.db2.gz BRSBHBKXVRWRKE-IUODEOHRSA-N 1 1 252.402 3.133 10 0 CGAEMO CC[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=S)cc1 ZINC000020486440 171225156 /nfs/dbraw/zinc/22/51/56/171225156.db2.gz YJAGMKKYFBOPCS-UHFFFAOYSA-N 1 1 284.428 3.343 10 0 CGAEMO CCc1ccc([C@@H](N)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000021503740 171306959 /nfs/dbraw/zinc/30/69/59/171306959.db2.gz AUEWDBGKBUSOMR-IBGZPJMESA-N 1 1 280.415 3.307 10 0 CGAEMO CCc1ccc([C@@H](N)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000021503740 171306960 /nfs/dbraw/zinc/30/69/60/171306960.db2.gz AUEWDBGKBUSOMR-IBGZPJMESA-N 1 1 280.415 3.307 10 0 CGAEMO CCCOc1ccc([C@H]([NH3+])CN2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000021787172 171323071 /nfs/dbraw/zinc/32/30/71/171323071.db2.gz WVTAJYGXZXOOHO-IIDMSEBBSA-N 1 1 290.451 3.453 10 0 CGAEMO C[C@@H]1C[C@H]1c1ccc([C@@H](CN)[NH+]2CCCCCC2)o1 ZINC000022172370 171368989 /nfs/dbraw/zinc/36/89/89/171368989.db2.gz UYHKWWLUYHMWBD-MGPQQGTHSA-N 1 1 262.397 3.279 10 0 CGAEMO C[C@@H]([NH2+]Cc1nccn1C(F)F)c1cccs1 ZINC000035206884 172051121 /nfs/dbraw/zinc/05/11/21/172051121.db2.gz ZHWZCCHKYNTEAI-MRVPVSSYSA-N 1 1 257.309 3.191 10 0 CGAEMO C[NH2+][C@H](c1ccoc1C)c1c(F)cc(F)cc1F ZINC000035469399 172219898 /nfs/dbraw/zinc/21/98/98/172219898.db2.gz XPPZWTRGEOUXAW-CYBMUJFWSA-N 1 1 255.239 3.314 10 0 CGAEMO Cc1c(N)cccc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000035649102 172325274 /nfs/dbraw/zinc/32/52/74/172325274.db2.gz XQGIDQGDDAVINZ-UHFFFAOYSA-N 1 1 258.340 3.348 10 0 CGAEMO C[C@@H]1CCCC[C@]1(CN)[N@H+](C)Cc1ccsc1 ZINC000035719035 172373158 /nfs/dbraw/zinc/37/31/58/172373158.db2.gz RVFWRTDHZLASSZ-TZMCWYRMSA-N 1 1 252.427 3.088 10 0 CGAEMO C[C@@H]1CCCC[C@]1(CN)[N@@H+](C)Cc1ccsc1 ZINC000035719035 172373160 /nfs/dbraw/zinc/37/31/60/172373160.db2.gz RVFWRTDHZLASSZ-TZMCWYRMSA-N 1 1 252.427 3.088 10 0 CGAEMO CC[N@@H+](C[C@H]1CNc2ccccc2O1)C1CCCC1 ZINC000035766498 172408340 /nfs/dbraw/zinc/40/83/40/172408340.db2.gz SRELETCSDRTFKY-CQSZACIVSA-N 1 1 260.381 3.124 10 0 CGAEMO C[C@@H](Nc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037209879 173031776 /nfs/dbraw/zinc/03/17/76/173031776.db2.gz CAAZORSAGDLKDF-VXGBXAGGSA-N 1 1 252.789 3.482 10 0 CGAEMO CCN(CC)c1ncc(C[NH2+][C@@H](C)c2ccco2)s1 ZINC000037260222 173069749 /nfs/dbraw/zinc/06/97/49/173069749.db2.gz PSWYTYQZCVEPQN-NSHDSACASA-N 1 1 279.409 3.433 10 0 CGAEMO CC(C)c1[nH+]ccn1Cc1c(N)cccc1Br ZINC000037401992 173178849 /nfs/dbraw/zinc/17/88/49/173178849.db2.gz QJQSOLDMNWXVNZ-UHFFFAOYSA-N 1 1 294.196 3.400 10 0 CGAEMO C[C@@H]([NH2+]Cc1cn[nH]c1)c1ccccc1Br ZINC000038005810 173968015 /nfs/dbraw/zinc/96/80/15/173968015.db2.gz ZWQQGFOHRTVCKD-SECBINFHSA-N 1 1 280.169 3.023 10 0 CGAEMO CC[C@@H](C)[NH2+][C@](C)(C(N)=O)c1cc(Cl)ccc1Cl ZINC000038065700 174077100 /nfs/dbraw/zinc/07/71/00/174077100.db2.gz OHPMJFYZLLMDLA-OQPBUACISA-N 1 1 289.206 3.082 10 0 CGAEMO C[C@@H]1C[C@H](C)C[N@H+]([C@H](CN)c2ccccc2Cl)C1 ZINC000039789082 174173049 /nfs/dbraw/zinc/17/30/49/174173049.db2.gz FXLCMONDWURIMH-TYNCELHUSA-N 1 1 266.816 3.318 10 0 CGAEMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H](CN)c2ccccc2Cl)C1 ZINC000039789082 174173050 /nfs/dbraw/zinc/17/30/50/174173050.db2.gz FXLCMONDWURIMH-TYNCELHUSA-N 1 1 266.816 3.318 10 0 CGAEMO CN(C)CC(C)(C)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000042328253 174686710 /nfs/dbraw/zinc/68/67/10/174686710.db2.gz VGVHPRYCUPJUCZ-AWEZNQCLSA-N 1 1 266.454 3.377 10 0 CGAEMO C[NH+](C)CC(C)(C)CN[C@H](c1cccs1)C1CC1 ZINC000042328253 174686711 /nfs/dbraw/zinc/68/67/11/174686711.db2.gz VGVHPRYCUPJUCZ-AWEZNQCLSA-N 1 1 266.454 3.377 10 0 CGAEMO CC[NH2+][C@@H]1CCN([C@@H](C)Cc2cccs2)[C@H](C)C1 ZINC000071271050 176104356 /nfs/dbraw/zinc/10/43/56/176104356.db2.gz BBLSWYLBQNCFHT-HZSPNIEDSA-N 1 1 266.454 3.142 10 0 CGAEMO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CCNC[C@@H]1C ZINC000076436287 177024401 /nfs/dbraw/zinc/02/44/01/177024401.db2.gz ZXMFLUHVYWKTEK-HNNXBMFYSA-N 1 1 274.452 3.395 10 0 CGAEMO Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CCNC[C@@H]1C ZINC000076436287 177024402 /nfs/dbraw/zinc/02/44/02/177024402.db2.gz ZXMFLUHVYWKTEK-HNNXBMFYSA-N 1 1 274.452 3.395 10 0 CGAEMO O[C@@H]1CCC[C@@H](C[N@H+]2CCCC[C@H]2c2nccs2)C1 ZINC000659867632 419019824 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Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCC2CCCCC2)o1 ZINC000194021772 270080818 /nfs/dbraw/zinc/08/08/18/270080818.db2.gz NEBKMSPTOUHSER-KBPBESRZSA-N 1 1 292.423 3.324 10 0 CGAEMO O[C@H]1c2ccccc2C[C@H]1[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186196708 275059689 /nfs/dbraw/zinc/05/96/89/275059689.db2.gz YMHGVIKEQJKROJ-MOPGFXCFSA-N 1 1 291.394 3.192 10 0 CGAEMO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)c1cnccn1 ZINC000124187601 278380622 /nfs/dbraw/zinc/38/06/22/278380622.db2.gz ZLSAZTRJKHHMKY-OCCSQVGLSA-N 1 1 283.375 3.430 10 0 CGAEMO CC1(C)CCC(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)CC1 ZINC000398762350 288047802 /nfs/dbraw/zinc/04/78/02/288047802.db2.gz CNYULNOIUOYBNB-ARFHVFGLSA-N 1 1 265.441 3.296 10 0 CGAEMO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1nnc3n1CCCC3)CC2 ZINC000131052188 278891443 /nfs/dbraw/zinc/89/14/43/278891443.db2.gz DVJGJFFLUISLTJ-XJKSGUPXSA-N 1 1 296.418 3.261 10 0 CGAEMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)C1 ZINC000246806764 279036239 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260.381 3.109 10 0 CGAEMO CCc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1N ZINC000020352020 171156061 /nfs/dbraw/zinc/15/60/61/171156061.db2.gz ACGWOCQNCCVXFY-UHFFFAOYSA-N 1 1 255.243 3.036 10 0 CGAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)C1CCCC1 ZINC000126381696 287263312 /nfs/dbraw/zinc/26/33/12/287263312.db2.gz OPEPHUOGDWAGFW-OAHLLOKOSA-N 1 1 280.456 3.146 10 0 CGAEMO C[NH2+][C@H](c1ccccc1F)c1ccc(F)cc1F ZINC000035491960 172226841 /nfs/dbraw/zinc/22/68/41/172226841.db2.gz YUBUYBKEZRVXBI-CQSZACIVSA-N 1 1 251.251 3.413 10 0 CGAEMO CC[N@@H+]1CCC[C@@H]([C@@H](C)NCc2ccc(C)cc2)C1 ZINC000037210303 173033067 /nfs/dbraw/zinc/03/30/67/173033067.db2.gz DZHYLZXTPJWGRL-NVXWUHKLSA-N 1 1 260.425 3.205 10 0 CGAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)NCc2ccc(C)cc2)C1 ZINC000037210303 173033068 /nfs/dbraw/zinc/03/30/68/173033068.db2.gz DZHYLZXTPJWGRL-NVXWUHKLSA-N 1 1 260.425 3.205 10 0 CGAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)Nc2c(F)cccc2F)C1 ZINC000037221942 173041683 /nfs/dbraw/zinc/04/16/83/173041683.db2.gz 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ZINC000157248866 521477917 /nfs/dbraw/zinc/47/79/17/521477917.db2.gz DPMILXNOGMEBMT-UHFFFAOYSA-N 1 1 270.332 3.179 10 0 CGAEMO CCC(CC)c1[nH+]c(C2CCCCC2)n(N)c1N ZINC000052839777 521634629 /nfs/dbraw/zinc/63/46/29/521634629.db2.gz WQKCVNDKDYEOMJ-UHFFFAOYSA-N 1 1 250.390 3.130 10 0 CGAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc(C)c1 ZINC000088559628 522514957 /nfs/dbraw/zinc/51/49/57/522514957.db2.gz MMEDEOMCAJDVJW-HIFRSBDPSA-N 1 1 284.407 3.335 10 0 CGAEMO CC[C@@H]1CCC[N@@H+]([C@@H](CN)c2ccc(F)c(C)c2)C1 ZINC000050546099 523254472 /nfs/dbraw/zinc/25/44/72/523254472.db2.gz MIXFZANRVPEUBB-CJNGLKHVSA-N 1 1 264.388 3.256 10 0 CGAEMO CC[C@@H]1CCC[N@H+]([C@@H](CN)c2ccc(F)c(C)c2)C1 ZINC000050546099 523254478 /nfs/dbraw/zinc/25/44/78/523254478.db2.gz MIXFZANRVPEUBB-CJNGLKHVSA-N 1 1 264.388 3.256 10 0 CGAEMO CC[C@H]1CN[C@H](C(C)C)C[N@@H+]1Cc1ccccc1C ZINC000068695137 523322345 /nfs/dbraw/zinc/32/23/45/523322345.db2.gz NRWFCPPWFOVQPV-IRXDYDNUSA-N 1 1 260.425 3.203 10 0 CGAEMO CC[C@H]1CN[C@H](C(C)C)C[N@H+]1Cc1ccccc1C ZINC000068695137 523322352 /nfs/dbraw/zinc/32/23/52/523322352.db2.gz NRWFCPPWFOVQPV-IRXDYDNUSA-N 1 1 260.425 3.203 10 0 CGAEMO C[C@H](CCc1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054627012 524239816 /nfs/dbraw/zinc/23/98/16/524239816.db2.gz ZJTSEYHZDISTAM-BMFZPTHFSA-N 1 1 257.377 3.204 10 0 CGAEMO Cc1cccc(C[N@@H+]2C[C@@H](C)NC[C@@H]2CC(C)C)c1 ZINC000062657378 524405982 /nfs/dbraw/zinc/40/59/82/524405982.db2.gz YROKIKLNJPFUSV-WBVHZDCISA-N 1 1 260.425 3.203 10 0 CGAEMO Cc1cccc(CN2C[C@@H](C)[NH2+]C[C@@H]2CC(C)C)c1 ZINC000062657378 524405996 /nfs/dbraw/zinc/40/59/96/524405996.db2.gz YROKIKLNJPFUSV-WBVHZDCISA-N 1 1 260.425 3.203 10 0 CGAEMO C[C@H](C[NH2+]C(C)(C)C)CN(C)Cc1ccc(F)cc1 ZINC000052346143 524475780 /nfs/dbraw/zinc/47/57/80/524475780.db2.gz DNXGITSYPLDRRZ-CYBMUJFWSA-N 1 1 266.404 3.282 10 0 CGAEMO C[C@@H](CCc1ccco1)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601239 524542975 /nfs/dbraw/zinc/54/29/75/524542975.db2.gz 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ZINC000294986550 199286478 /nfs/dbraw/zinc/28/64/78/199286478.db2.gz KFXGJBJIBIFACZ-GWCFXTLKSA-N 1 1 273.298 3.051 10 0 CGAEMO CC(C)OC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295065619 199326036 /nfs/dbraw/zinc/32/60/36/199326036.db2.gz CDXUGVXTZABBNT-GDBMZVCRSA-N 1 1 290.407 3.032 10 0 CGAEMO O=C1CCC[C@@H]([N@@H+]2CC=C(c3ccccc3)CC2)C1 ZINC000034084794 344937574 /nfs/dbraw/zinc/93/75/74/344937574.db2.gz ASEMFRIEBUPRNR-MRXNPFEDSA-N 1 1 255.361 3.287 10 0 CGAEMO c1ccc2[nH]c(C[NH2+][C@H]3CCCc4cccnc43)nc2c1 ZINC000097996827 345909345 /nfs/dbraw/zinc/90/93/45/345909345.db2.gz YIWUDZZUTVWTFZ-HNNXBMFYSA-N 1 1 278.359 3.125 10 0 CGAEMO CC(C)C[C@H]([NH2+]CC(C)(C)C)C(=O)OC(C)(C)C ZINC000113039751 345959479 /nfs/dbraw/zinc/95/94/79/345959479.db2.gz OHGCYVXAEGILFZ-LBPRGKRZSA-N 1 1 257.418 3.379 10 0 CGAEMO Nc1ccc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000116483515 345978529 /nfs/dbraw/zinc/97/85/29/345978529.db2.gz ADXHRNAHDRSWJA-CQSZACIVSA-N 1 1 270.351 3.397 10 0 CGAEMO C[C@@H]1[C@H](C)SCCN1c1cc[nH+]cc1Br ZINC000133738182 346078635 /nfs/dbraw/zinc/07/86/35/346078635.db2.gz JZOFTTAGYBDNMY-BDAKNGLRSA-N 1 1 287.226 3.174 10 0 CGAEMO CCC(=O)CC[N@H+]1CCC2=Cc3ccccc3[C@@H]2C1 ZINC000142063822 346109952 /nfs/dbraw/zinc/10/99/52/346109952.db2.gz PKAIIYQSNJRSKK-QGZVFWFLSA-N 1 1 255.361 3.242 10 0 CGAEMO C[N@@H+]1Cc2ccccc2[C@@H](c2ccc3ncncc3c2)C1 ZINC000149999178 346132354 /nfs/dbraw/zinc/13/23/54/346132354.db2.gz LIJKOAGATWSTTB-QGZVFWFLSA-N 1 1 275.355 3.207 10 0 CGAEMO CC[C@H](c1ccc(F)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172536029 346227458 /nfs/dbraw/zinc/22/74/58/346227458.db2.gz RUGSKZLQVKSIFN-HZPDHXFCSA-N 1 1 262.372 3.057 10 0 CGAEMO Clc1ccc(Br)cc1[C@@H]1[NH2+]CCS1 ZINC000236036939 346338564 /nfs/dbraw/zinc/33/85/64/346338564.db2.gz JKFVWRDHZZJEAO-SECBINFHSA-N 1 1 278.602 3.438 10 0 CGAEMO C[C@H](c1ccco1)[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000257350896 346399684 /nfs/dbraw/zinc/39/96/84/346399684.db2.gz AUOUOJCLSAQLFP-OLZOCXBDSA-N 1 1 294.395 3.330 10 0 CGAEMO Cc1ccncc1N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000307398126 346462103 /nfs/dbraw/zinc/46/21/03/346462103.db2.gz XUHIIMICZOLEBA-DOTOQJQBSA-N 1 1 281.403 3.465 10 0 CGAEMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCSC(C)C ZINC000385454674 346566675 /nfs/dbraw/zinc/56/66/75/346566675.db2.gz FDJNJALBFIMTLC-LSDHHAIUSA-N 1 1 270.486 3.077 10 0 CGAEMO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCSC(C)C ZINC000385454674 346566678 /nfs/dbraw/zinc/56/66/78/346566678.db2.gz FDJNJALBFIMTLC-LSDHHAIUSA-N 1 1 270.486 3.077 10 0 CGAEMO CC[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCSC(C)C ZINC000385454674 346566680 /nfs/dbraw/zinc/56/66/80/346566680.db2.gz FDJNJALBFIMTLC-LSDHHAIUSA-N 1 1 270.486 3.077 10 0 CGAEMO COC(=O)[C@H](C)c1ccc(Nc2cc(C)cc[nH+]2)cc1 ZINC000584595675 346686988 /nfs/dbraw/zinc/68/69/88/346686988.db2.gz XPNVHQWZAXAXQX-GFCCVEGCSA-N 1 1 270.332 3.410 10 0 CGAEMO O[C@@H](c1ccc(F)cc1)[C@H]1CC[N@H+]2CCCC[C@@H]2C1 ZINC000584625294 346697447 /nfs/dbraw/zinc/69/74/47/346697447.db2.gz JVBGIQKPXVCVSA-IMJJTQAJSA-N 1 1 263.356 3.124 10 0 CGAEMO Fc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188419964 542249452 /nfs/dbraw/zinc/24/94/52/542249452.db2.gz KWALOMNKAQGXRO-AWEZNQCLSA-N 1 1 293.773 3.340 10 0 CGAEMO CNc1ccc([C@H]2CC[N@H+](C(C)(C)C)CCO2)cc1 ZINC000616593873 348838659 /nfs/dbraw/zinc/83/86/59/348838659.db2.gz BLLJLJAMRHTNBK-OAHLLOKOSA-N 1 1 262.397 3.290 10 0 CGAEMO CNc1ccccc1[C@H]1CC[N@H+](C(C)(C)C)CCO1 ZINC000616594096 348839393 /nfs/dbraw/zinc/83/93/93/348839393.db2.gz CEEYUNDPABCSHV-OAHLLOKOSA-N 1 1 262.397 3.290 10 0 CGAEMO CC(C)[N@H+]1CCOC[C@@H](c2cccc3cnccc32)C1 ZINC000616598897 348841110 /nfs/dbraw/zinc/84/11/10/348841110.db2.gz UUDDTIUWVDFIHU-HNNXBMFYSA-N 1 1 270.376 3.059 10 0 CGAEMO c1nocc1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000616609527 348844579 /nfs/dbraw/zinc/84/45/79/348844579.db2.gz AREVEIJJALHKTE-OAHLLOKOSA-N 1 1 256.349 3.444 10 0 CGAEMO CC[N@H+]1CCC[C@@H](c2cccc3nnccc32)CC1 ZINC000616610465 348844698 /nfs/dbraw/zinc/84/46/98/348844698.db2.gz KAPLUGYVDKAKKH-CYBMUJFWSA-N 1 1 255.365 3.219 10 0 CGAEMO OCC[N@H+]1CCCCC[C@H]1c1ccc2ncccc2c1 ZINC000616624996 348849937 /nfs/dbraw/zinc/84/99/37/348849937.db2.gz JNIULDHAOFQVNX-KRWDZBQOSA-N 1 1 270.376 3.144 10 0 CGAEMO NCC[N@@H+]1CCCCC[C@@H]1c1cncc2ccccc21 ZINC000616623907 348849977 /nfs/dbraw/zinc/84/99/77/348849977.db2.gz LYPOBQQPPNRZTD-QGZVFWFLSA-N 1 1 269.392 3.111 10 0 CGAEMO NCC[N@H+]1CCCCC[C@@H]1c1cncc2ccccc21 ZINC000616623907 348849981 /nfs/dbraw/zinc/84/99/81/348849981.db2.gz LYPOBQQPPNRZTD-QGZVFWFLSA-N 1 1 269.392 3.111 10 0 CGAEMO OCC[N@H+]1CCCCC[C@H]1c1ccnc2ccccc21 ZINC000616629775 348852522 /nfs/dbraw/zinc/85/25/22/348852522.db2.gz MDBBSFHICHYKRQ-KRWDZBQOSA-N 1 1 270.376 3.144 10 0 CGAEMO COc1ccc([C@H]2COCCC[N@H+]2C(C)(C)C)cc1 ZINC000616644773 348854298 /nfs/dbraw/zinc/85/42/98/348854298.db2.gz DTHULOMOQGBPPQ-OAHLLOKOSA-N 1 1 263.381 3.257 10 0 CGAEMO CC(C)[N@H+]1CCOC[C@H]1c1cccc2ncccc21 ZINC000616641601 348854591 /nfs/dbraw/zinc/85/45/91/348854591.db2.gz KMANHXDOBDNWOM-INIZCTEOSA-N 1 1 256.349 3.017 10 0 CGAEMO CC(C)[N@H+]1CCO[C@H](c2cccc3ncccc32)C1 ZINC000616645298 348854791 /nfs/dbraw/zinc/85/47/91/348854791.db2.gz BINSXRUJKSKJQS-INIZCTEOSA-N 1 1 256.349 3.017 10 0 CGAEMO CC(C)[N@H+]1CCCOC[C@H]1c1cccc2ncccc21 ZINC000616645225 348854835 /nfs/dbraw/zinc/85/48/35/348854835.db2.gz MKNLFIOPVRKKPF-KRWDZBQOSA-N 1 1 270.376 3.407 10 0 CGAEMO CC(C)(C)[N@H+]1CCO[C@H](c2cncc3ccccc32)C1 ZINC000616649442 348855277 /nfs/dbraw/zinc/85/52/77/348855277.db2.gz UDUIXHURTPLAMF-INIZCTEOSA-N 1 1 270.376 3.407 10 0 CGAEMO CC[N@H+]1CCCO[C@H](c2ccc3ccncc3c2)C1 ZINC000616649439 348855368 /nfs/dbraw/zinc/85/53/68/348855368.db2.gz JRSYSBRLTLILRA-INIZCTEOSA-N 1 1 256.349 3.018 10 0 CGAEMO Nc1cccc([C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000616651394 348856583 /nfs/dbraw/zinc/85/65/83/348856583.db2.gz NJJAMEXFHMUSMM-GOSISDBHSA-N 1 1 282.387 3.232 10 0 CGAEMO c1ccc(C[N@H+]2CCCO[C@H](c3ccccn3)C2)cc1 ZINC000616653461 348856882 /nfs/dbraw/zinc/85/68/82/348856882.db2.gz WRJJTCBYAVIVHS-KRWDZBQOSA-N 1 1 268.360 3.045 10 0 CGAEMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+](C(C)(C)C)C1 ZINC000616654058 348857863 /nfs/dbraw/zinc/85/78/63/348857863.db2.gz LBHIYPJAKWWFFE-ZDUSSCGKSA-N 1 1 284.444 3.412 10 0 CGAEMO CNc1cccc([C@H]2C[N@H+](C(C)(C)C)CCCO2)c1 ZINC000616653918 348857993 /nfs/dbraw/zinc/85/79/93/348857993.db2.gz ZCUHWFPMCJVECL-OAHLLOKOSA-N 1 1 262.397 3.290 10 0 CGAEMO CC(C)[N@H+]1CCCC[C@@H](c2cccc(CCO)c2)C1 ZINC000616653987 348858115 /nfs/dbraw/zinc/85/81/15/348858115.db2.gz IDYZFWSCYQDLQF-QGZVFWFLSA-N 1 1 261.409 3.199 10 0 CGAEMO c1ccc(C[N@H+]2CCOCC[C@@H]2c2cccnc2)cc1 ZINC000616660213 348858889 /nfs/dbraw/zinc/85/88/89/348858889.db2.gz UFFOCDNOQLHSLE-QGZVFWFLSA-N 1 1 268.360 3.045 10 0 CGAEMO CC(C)[N@H+]1CCOC[C@H](c2ccccc2Cl)C1 ZINC000616660462 348858978 /nfs/dbraw/zinc/85/89/78/348858978.db2.gz NDXSFQMNXMRJNE-GFCCVEGCSA-N 1 1 253.773 3.164 10 0 CGAEMO COc1cccc([C@H]2COCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000616663560 348859722 /nfs/dbraw/zinc/85/97/22/348859722.db2.gz REOOIFXGPGICGO-GOSISDBHSA-N 1 1 297.398 3.311 10 0 CGAEMO CC(C)N1C[C@@H](c2cccc(N)[nH+]2)Cc2ccccc21 ZINC000616673863 348863220 /nfs/dbraw/zinc/86/32/20/348863220.db2.gz RTHCFGULLXDWNN-AWEZNQCLSA-N 1 1 267.376 3.219 10 0 CGAEMO c1ccc2ncc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000155901220 188234429 /nfs/dbraw/zinc/23/44/29/188234429.db2.gz CCRBKCOEFLUIKE-GDBMZVCRSA-N 1 1 267.376 3.274 10 0 CGAEMO c1coc([C@@H]2CCC[N@@H+]2Cc2ccc3c[nH]nc3c2)c1 ZINC000124542630 138375824 /nfs/dbraw/zinc/37/58/24/138375824.db2.gz IOLBZWQDHZYFCO-HNNXBMFYSA-N 1 1 267.332 3.493 10 0 CGAEMO Cn1c(C[N@H+](C)C2CCC(C)(C)CC2)nnc1C1CC1 ZINC000127669378 138390319 /nfs/dbraw/zinc/39/03/19/138390319.db2.gz OHRPOQZOZUFGSS-UHFFFAOYSA-N 1 1 276.428 3.093 10 0 CGAEMO Cn1c(C[N@@H+](C)C2CCC(C)(C)CC2)nnc1C1CC1 ZINC000127669378 138390320 /nfs/dbraw/zinc/39/03/20/138390320.db2.gz OHRPOQZOZUFGSS-UHFFFAOYSA-N 1 1 276.428 3.093 10 0 CGAEMO CC1CCC(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000128553404 138393826 /nfs/dbraw/zinc/39/38/26/138393826.db2.gz PDDZBUHTMIYNAU-NRXISQOPSA-N 1 1 261.413 3.036 10 0 CGAEMO C[C@@H]1CCCC[C@@H]1c1noc([C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000329579715 202393866 /nfs/dbraw/zinc/39/38/66/202393866.db2.gz KUEFLJXDGDVSTQ-UPJWGTAASA-N 1 1 286.379 3.290 10 0 CGAEMO CCc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000177136941 189031434 /nfs/dbraw/zinc/03/14/34/189031434.db2.gz HNMNFTGUQOGTAW-QGZVFWFLSA-N 1 1 297.402 3.059 10 0 CGAEMO CCn1c(C)nnc1C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000179031207 189162985 /nfs/dbraw/zinc/16/29/85/189162985.db2.gz VQRTYURJZJTFNX-CYBMUJFWSA-N 1 1 298.434 3.336 10 0 CGAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C ZINC000180127969 189238643 /nfs/dbraw/zinc/23/86/43/189238643.db2.gz WIFWYECQUXULCE-KRWDZBQOSA-N 1 1 287.382 3.304 10 0 CGAEMO CC(C)C[N@H+]1CCC[C@@H]1CNc1ncnc2ccccc21 ZINC000301762835 201183168 /nfs/dbraw/zinc/18/31/68/201183168.db2.gz DTKKMWDQGRWKSK-CQSZACIVSA-N 1 1 284.407 3.162 10 0 CGAEMO Cc1cnc(NC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000301843705 201230181 /nfs/dbraw/zinc/23/01/81/201230181.db2.gz RRIJQDWKVBRKHC-RDJZCZTQSA-N 1 1 296.418 3.108 10 0 CGAEMO Cc1cccc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000301945827 201272012 /nfs/dbraw/zinc/27/20/12/201272012.db2.gz XHJWVWDTCCOVDK-NVXWUHKLSA-N 1 1 281.403 3.465 10 0 CGAEMO CCc1cc(NCc2ccnc(OC3CCC3)c2)nc(C)[nH+]1 ZINC000302075399 201332855 /nfs/dbraw/zinc/33/28/55/201332855.db2.gz GURPJHMHNZKIKO-UHFFFAOYSA-N 1 1 298.390 3.286 10 0 CGAEMO CCn1cc(C2CC[NH+](Cc3csc(C)n3)CC2)cn1 ZINC000120604490 370784216 /nfs/dbraw/zinc/78/42/16/370784216.db2.gz QJVZNERFBYZCIW-UHFFFAOYSA-N 1 1 290.436 3.048 10 0 CGAEMO C[N@H+]1CCc2ccccc2Cc2cc(O)ccc2CC1 ZINC000013684099 368661278 /nfs/dbraw/zinc/66/12/78/368661278.db2.gz PWYCTCPWHXJEDU-UHFFFAOYSA-N 1 1 267.372 3.013 10 0 CGAEMO CCc1ccc(C[NH2+][C@@H](CN(C)C)c2ccccc2)o1 ZINC000051721697 369453552 /nfs/dbraw/zinc/45/35/52/369453552.db2.gz CGCAYXCJZFSMDT-KRWDZBQOSA-N 1 1 272.392 3.235 10 0 CGAEMO COCC[N@@H+](C/C=C/c1ccccc1)Cc1ccncc1 ZINC000055404176 369516032 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O[C@]12CCCC[C@H]1C[N@@H+](CCSc1ccccc1)CC2 ZINC000220337529 270085959 /nfs/dbraw/zinc/08/59/59/270085959.db2.gz CHEQJSFCQSDKBJ-RDJZCZTQSA-N 1 1 291.460 3.406 10 0 CGAEMO Brc1sccc1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000529536037 270183171 /nfs/dbraw/zinc/18/31/71/270183171.db2.gz WXTAWXSBRXARRB-WPRPVWTQSA-N 1 1 272.211 3.495 10 0 CGAEMO Brc1sccc1C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000529536037 270183172 /nfs/dbraw/zinc/18/31/72/270183172.db2.gz WXTAWXSBRXARRB-WPRPVWTQSA-N 1 1 272.211 3.495 10 0 CGAEMO CN(C)c1nc(N[C@@H]2CCCc3ccccc32)cc[nH+]1 ZINC000068690109 273825935 /nfs/dbraw/zinc/82/59/35/273825935.db2.gz WRTNEIJHCIKEKZ-CQSZACIVSA-N 1 1 268.364 3.032 10 0 CGAEMO C[C@H](N[C@H]1CCSc2ccc(Cl)cc21)[C@H]1CC[NH2+]C1 ZINC000400336002 274528963 /nfs/dbraw/zinc/52/89/63/274528963.db2.gz DFOYVEKXFGBJLD-MJVIPROJSA-N 1 1 296.867 3.465 10 0 CGAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2)o1 ZINC000037976286 274759724 /nfs/dbraw/zinc/75/97/24/274759724.db2.gz VJVDEFZLGAHJCG-STQMWFEESA-N 1 1 272.348 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GULWFKGALQOFJI-CHWSQXEVSA-N 1 1 278.362 3.278 10 0 CGAEMO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCCCC(F)(F)F ZINC000128966912 288294170 /nfs/dbraw/zinc/29/41/70/288294170.db2.gz GULWFKGALQOFJI-CHWSQXEVSA-N 1 1 278.362 3.278 10 0 CGAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)c(C)c1 ZINC000175032415 281192099 /nfs/dbraw/zinc/19/20/99/281192099.db2.gz FSCQLFRPTPETFU-DLBZAZTESA-N 1 1 286.419 3.002 10 0 CGAEMO Cc1ccccc1[C@@H](C)[N@H+]1CCCN(C2CC2)CC1 ZINC000178003021 281354742 /nfs/dbraw/zinc/35/47/42/281354742.db2.gz XZWWJSAMZOVABD-OAHLLOKOSA-N 1 1 258.409 3.226 10 0 CGAEMO Cc1ccccc1[C@@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000178003021 281354743 /nfs/dbraw/zinc/35/47/43/281354743.db2.gz XZWWJSAMZOVABD-OAHLLOKOSA-N 1 1 258.409 3.226 10 0 CGAEMO Cc1ccccc1[C@@H](C)N1CCC[N@H+](C2CC2)CC1 ZINC000178003021 281354744 /nfs/dbraw/zinc/35/47/44/281354744.db2.gz XZWWJSAMZOVABD-OAHLLOKOSA-N 1 1 258.409 3.226 10 0 CGAEMO NCC[N@@H+](Cc1ccccc1)C[C@H]1CCCC(F)(F)C1 ZINC000261551188 295232905 /nfs/dbraw/zinc/23/29/05/295232905.db2.gz QHEOZADGFQFXBT-HNNXBMFYSA-N 1 1 282.378 3.273 10 0 CGAEMO NCC[N@H+](Cc1ccccc1)C[C@H]1CCCC(F)(F)C1 ZINC000261551188 295232907 /nfs/dbraw/zinc/23/29/07/295232907.db2.gz QHEOZADGFQFXBT-HNNXBMFYSA-N 1 1 282.378 3.273 10 0 CGAEMO Cc1cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)nc(C)[nH+]1 ZINC000275849184 301338629 /nfs/dbraw/zinc/33/86/29/301338629.db2.gz RFTQPICZZPYMNZ-HNNXBMFYSA-N 1 1 297.406 3.037 10 0 CGAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1csc(C)c1 ZINC000381761513 336072536 /nfs/dbraw/zinc/07/25/36/336072536.db2.gz ORKHIRKFUQVAAZ-HUUCEWRRSA-N 1 1 264.438 3.115 10 0 CGAEMO CC(C)[C@@H]1CC[C@H](O)[C@H](C[N@@H+](C)CC(C)(C)C)C1 ZINC000054561503 519803349 /nfs/dbraw/zinc/80/33/49/519803349.db2.gz XHLYHGIBUSHKJW-ILXRZTDVSA-N 1 1 255.446 3.398 10 0 CGAEMO Fc1ccc(/C=C/CN2CCC[N@H+](C3CC3)CC2)cc1 ZINC000179731693 534459535 /nfs/dbraw/zinc/45/95/35/534459535.db2.gz NAISEEDJTJWJCP-HNQUOIGGSA-N 1 1 274.383 3.009 10 0 CGAEMO CCOC[C@H](C)n1c2ccc(N)cc2[nH+]c1C1CC1 ZINC000052854253 520142822 /nfs/dbraw/zinc/14/28/22/520142822.db2.gz LPGSRGUADVMSMJ-JTQLQIEISA-N 1 1 259.353 3.093 10 0 CGAEMO CC[N@@H+](CC(C)C)[C@@H](CC(N)=S)c1ccccc1 ZINC000055024630 520414427 /nfs/dbraw/zinc/41/44/27/520414427.db2.gz QCDIYIDCJAEWAJ-AWEZNQCLSA-N 1 1 264.438 3.382 10 0 CGAEMO CN1CCCC[C@@H]1CC[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000052206144 523793642 /nfs/dbraw/zinc/79/36/42/523793642.db2.gz ZTEFRFZSOUIEMD-BRWVUGGUSA-N 1 1 258.409 3.007 10 0 CGAEMO Cc1nccc(C[NH2+][C@H](C)c2ccc(Cl)s2)n1 ZINC000038037604 534752837 /nfs/dbraw/zinc/75/28/37/534752837.db2.gz NJSGLQGEBJHWCO-MRVPVSSYSA-N 1 1 267.785 3.351 10 0 CGAEMO C[C@H](CN1CCCC1)[NH2+]Cc1ccc(F)cc1Cl ZINC000049180268 524315900 /nfs/dbraw/zinc/31/59/00/524315900.db2.gz PLYPBWRFZRFKRB-LLVKDONJSA-N 1 1 270.779 3.053 10 0 CGAEMO C[C@@H](CCN(C)C)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000049554170 524479351 /nfs/dbraw/zinc/47/93/51/524479351.db2.gz ZJAMMZUHYNETKX-JONQDZQNSA-N 1 1 252.446 3.275 10 0 CGAEMO C[C@H]1C[N@@H+](CCc2ccccc2)[C@H](c2ccccc2)CN1 ZINC000062671210 524603398 /nfs/dbraw/zinc/60/33/98/524603398.db2.gz MWCBUHQEDQTEEN-LPHOPBHVSA-N 1 1 280.415 3.264 10 0 CGAEMO C[C@H]1CN(CCc2ccccc2)[C@H](c2ccccc2)C[NH2+]1 ZINC000062671210 524603406 /nfs/dbraw/zinc/60/34/06/524603406.db2.gz MWCBUHQEDQTEEN-LPHOPBHVSA-N 1 1 280.415 3.264 10 0 CGAEMO Cc1ccc(F)c(-c2nc([C@@H]([NH3+])C(C)(C)C)no2)c1 ZINC000052999373 524779360 /nfs/dbraw/zinc/77/93/60/524779360.db2.gz VMRLBMPXLUNCNQ-LLVKDONJSA-N 1 1 263.316 3.230 10 0 CGAEMO C[C@@H](Cc1ccsc1)[N@H+]1Cc2cccc(N)c2C1 ZINC000049185841 524937674 /nfs/dbraw/zinc/93/76/74/524937674.db2.gz XSLTXJXJFXHERG-NSHDSACASA-N 1 1 258.390 3.277 10 0 CGAEMO Cc1cc(N)c2cccc(OCC(F)(F)F)c2[nH+]1 ZINC000050868801 525035157 /nfs/dbraw/zinc/03/51/57/525035157.db2.gz FCWNSERZSCEJQU-UHFFFAOYSA-N 1 1 256.227 3.067 10 0 CGAEMO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000183950304 525148819 /nfs/dbraw/zinc/14/88/19/525148819.db2.gz UQBLKKNYSFAMNQ-PHIMTYICSA-N 1 1 255.308 3.233 10 0 CGAEMO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000183950304 525148821 /nfs/dbraw/zinc/14/88/21/525148821.db2.gz UQBLKKNYSFAMNQ-PHIMTYICSA-N 1 1 255.308 3.233 10 0 CGAEMO Cc1ccc(NCC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000052205363 525278348 /nfs/dbraw/zinc/27/83/48/525278348.db2.gz RAYZHULMDQRCMI-AWEZNQCLSA-N 1 1 250.361 3.420 10 0 CGAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C)C2)s1 ZINC000049159572 525739167 /nfs/dbraw/zinc/73/91/67/525739167.db2.gz GWBIJFCUXKJZQQ-BFHYXJOUSA-N 1 1 266.454 3.437 10 0 CGAEMO Cc1[nH+]ccn1CCNc1ccc(F)cc1Br ZINC000049329991 527433895 /nfs/dbraw/zinc/43/38/95/527433895.db2.gz RYJRGRCZPHXQMT-UHFFFAOYSA-N 1 1 298.159 3.205 10 0 CGAEMO CC(C)[C@H]([NH3+])CCN(C)CCOc1ccc(Cl)cc1 ZINC000123656022 535062776 /nfs/dbraw/zinc/06/27/76/535062776.db2.gz JHGYQLSMLKWZAD-OAHLLOKOSA-N 1 1 284.831 3.024 10 0 CGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)[C@@H](C)CC)C1 ZINC000180087876 536172712 /nfs/dbraw/zinc/17/27/12/536172712.db2.gz QDCSYMJSJUYISF-RRFJBIMHSA-N 1 1 291.439 3.291 10 0 CGAEMO C[C@@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CCc2cccnc21 ZINC000309903641 619027642 /nfs/dbraw/zinc/02/76/42/619027642.db2.gz POPZHDSAILKUGK-YJBOKZPZSA-N 1 1 295.430 3.179 10 0 CGAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CCc2cccnc21 ZINC000309903641 619027645 /nfs/dbraw/zinc/02/76/45/619027645.db2.gz POPZHDSAILKUGK-YJBOKZPZSA-N 1 1 295.430 3.179 10 0 CGAEMO CC1(C)CC[N@@H+](C[C@H](O)c2cc3ccccc3o2)C1 ZINC000094809184 619287939 /nfs/dbraw/zinc/28/79/39/619287939.db2.gz XZXICLCJDLOGFH-ZDUSSCGKSA-N 1 1 259.349 3.198 10 0 CGAEMO CCC[C@H]([NH3+])c1nc(-c2ccccc2Br)no1 ZINC000043560472 622329857 /nfs/dbraw/zinc/32/98/57/622329857.db2.gz HQFMQVATKCLZCT-JTQLQIEISA-N 1 1 296.168 3.299 10 0 CGAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CCCCCCC1 ZINC000247386213 640719398 /nfs/dbraw/zinc/71/93/98/640719398.db2.gz LTPDZTHBDYCNDS-ZBFHGGJFSA-N 1 1 278.440 3.042 10 0 CGAEMO Cc1cscc1-c1noc([C@H]([NH3+])CC(C)C)n1 ZINC000094862694 640805036 /nfs/dbraw/zinc/80/50/36/640805036.db2.gz LDLKEOCKSZDFEZ-SNVBAGLBSA-N 1 1 251.355 3.152 10 0 CGAEMO CC[C@@H]1CN(C/C(C)=C\c2ccco2)CC[N@H+]1C(C)C ZINC000096851143 640840864 /nfs/dbraw/zinc/84/08/64/640840864.db2.gz CLDGWVZNMUUTOI-UVQBRAAOSA-N 1 1 276.424 3.488 10 0 CGAEMO CC[N@H+]1CC[C@H](N(C)C(=O)/C(C)=C\C(C)(C)C)[C@@H](C)C1 ZINC000588503105 799704146 /nfs/dbraw/zinc/70/41/46/799704146.db2.gz GWRXFCXBVWHIHY-QNCSTDJMSA-N 1 1 280.456 3.168 10 0 CGAEMO Cc1ccc([C@H](C)[NH2+]Cc2nccnc2C)cc1F ZINC000621340596 349501298 /nfs/dbraw/zinc/50/12/98/349501298.db2.gz KJZHEEQLWFHDPI-NSHDSACASA-N 1 1 259.328 3.083 10 0 CGAEMO CC(C)[C@H]1C[N@@H+](CCC2=CCCCC2)[C@H](C)CN1 ZINC000083383845 178387145 /nfs/dbraw/zinc/38/71/45/178387145.db2.gz LLGJMDPTGKHHGS-GDBMZVCRSA-N 1 1 250.430 3.195 10 0 CGAEMO CC(C)[C@H]1CN(CCC2=CCCCC2)[C@H](C)C[NH2+]1 ZINC000083383845 178387149 /nfs/dbraw/zinc/38/71/49/178387149.db2.gz LLGJMDPTGKHHGS-GDBMZVCRSA-N 1 1 250.430 3.195 10 0 CGAEMO [NH3+][C@H](c1nc2c(s1)CCC2)c1ccc(F)cc1Cl ZINC000096795208 185114396 /nfs/dbraw/zinc/11/43/96/185114396.db2.gz JWFHOTNBDANFQF-LBPRGKRZSA-N 1 1 282.771 3.472 10 0 CGAEMO CC(C)COc1ccc([C@H](C)[NH2+]Cc2cnns2)cc1 ZINC000295007902 199297259 /nfs/dbraw/zinc/29/72/59/199297259.db2.gz OYGGTAUDYGYUCY-LBPRGKRZSA-N 1 1 291.420 3.424 10 0 CGAEMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1csc2ccccc12 ZINC000295078798 199334761 /nfs/dbraw/zinc/33/47/61/199334761.db2.gz RSWITGXFRUNYKW-FZMZJTMJSA-N 1 1 261.390 3.247 10 0 CGAEMO CCCCCCc1ccc(C(=O)CC[N@@H+](C)CCO)cc1 ZINC000014968922 344883011 /nfs/dbraw/zinc/88/30/11/344883011.db2.gz GWWLXQSKLVUJGE-UHFFFAOYSA-N 1 1 291.435 3.306 10 0 CGAEMO Nc1ccc([C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000116483580 345977946 /nfs/dbraw/zinc/97/79/46/345977946.db2.gz ZAJJZKNBZLXIOI-HNNXBMFYSA-N 1 1 270.351 3.397 10 0 CGAEMO CCc1ccc([C@H]2CCCC[N@@H+]2CC(=O)NC(C)(C)C)o1 ZINC000124828373 346014269 /nfs/dbraw/zinc/01/42/69/346014269.db2.gz BMCNWLSFFVLNGR-CQSZACIVSA-N 1 1 292.423 3.284 10 0 CGAEMO CCc1ccc([C@H]2CCCC[N@H+]2CC(=O)NC(C)(C)C)o1 ZINC000124828373 346014272 /nfs/dbraw/zinc/01/42/72/346014272.db2.gz BMCNWLSFFVLNGR-CQSZACIVSA-N 1 1 292.423 3.284 10 0 CGAEMO Cc1cc([C@H](C)N[C@H](C)[C@H]2CC[NH2+]C2)c(C)s1 ZINC000400395893 301420348 /nfs/dbraw/zinc/42/03/48/301420348.db2.gz PEKZVROSJNWWIL-MDZLAQPJSA-N 1 1 252.427 3.014 10 0 CGAEMO Cc1cc(C)c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1C ZINC000128349178 187365416 /nfs/dbraw/zinc/36/54/16/187365416.db2.gz XYHKPFSUGFSIMH-INIZCTEOSA-N 1 1 283.419 3.335 10 0 CGAEMO [NH3+]C1(c2cccc(F)c2)CCN(Cc2ccccc2)CC1 ZINC000149851437 346131784 /nfs/dbraw/zinc/13/17/84/346131784.db2.gz KQRYTIGGLKUVBJ-UHFFFAOYSA-N 1 1 284.378 3.276 10 0 CGAEMO C[C@@H]1CC[C@H](C)CN1c1cc[nH+]cc1Br ZINC000164072768 346181810 /nfs/dbraw/zinc/18/18/10/346181810.db2.gz DLIJBISOYCKGIV-VHSXEESVSA-N 1 1 269.186 3.469 10 0 CGAEMO C[C@@H]([NH2+]Cc1ccc(CO)o1)c1ccc(F)c(Cl)c1 ZINC000174302458 346240834 /nfs/dbraw/zinc/24/08/34/346240834.db2.gz VDBWJTCZQLMNAJ-SECBINFHSA-N 1 1 283.730 3.415 10 0 CGAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1sccc1Cl ZINC000248722922 346377871 /nfs/dbraw/zinc/37/78/71/346377871.db2.gz GVQFSXMHUYLTGC-MNOVXSKESA-N 1 1 270.829 3.070 10 0 CGAEMO C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@@]12NCC[C@@H](C)S2 ZINC000306733326 346457343 /nfs/dbraw/zinc/45/73/43/346457343.db2.gz SYGUXDSCMPYFSG-YCPHGPKFSA-N 1 1 276.449 3.092 10 0 CGAEMO C[C@@H]1N(Cc2ccccc2)CC[C@@]12[NH2+]CC[C@@H](C)S2 ZINC000306733326 346457348 /nfs/dbraw/zinc/45/73/48/346457348.db2.gz SYGUXDSCMPYFSG-YCPHGPKFSA-N 1 1 276.449 3.092 10 0 CGAEMO Cn1cc([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C2)cn1 ZINC000128493763 187374210 /nfs/dbraw/zinc/37/42/10/187374210.db2.gz JYMQMAITXFZJJE-NSHDSACASA-N 1 1 293.773 3.202 10 0 CGAEMO CCCC[C@H]([NH2+]C1(C2CCC2)CCC1)C(=O)OC ZINC000459783346 282973070 /nfs/dbraw/zinc/97/30/70/282973070.db2.gz ZFKBHXGFYYFSEB-ZDUSSCGKSA-N 1 1 253.386 3.031 10 0 CGAEMO CC(C)N1C[C@H](c2cccc(N)[nH+]2)Cc2ccccc21 ZINC000616593986 348839545 /nfs/dbraw/zinc/83/95/45/348839545.db2.gz 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10 0 CGAEMO c1ccc(N2CC[C@H](Nc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000301882082 201248761 /nfs/dbraw/zinc/24/87/61/201248761.db2.gz MPNPPWNJMFIYTB-ZDUSSCGKSA-N 1 1 278.359 3.254 10 0 CGAEMO CCn1c(C)nnc1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000120706451 370792689 /nfs/dbraw/zinc/79/26/89/370792689.db2.gz DDUBIWSPYKURBW-SNVBAGLBSA-N 1 1 278.787 3.111 10 0 CGAEMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCCCOC)C12CCCC2 ZINC000121118176 370831214 /nfs/dbraw/zinc/83/12/14/370831214.db2.gz MSXOFJLMRHVARO-JKSUJKDBSA-N 1 1 283.456 3.473 10 0 CGAEMO COc1ccc2c(c1)Cc1ccccc1CC[N@H+](C)CC2 ZINC000013684103 368660928 /nfs/dbraw/zinc/66/09/28/368660928.db2.gz PXWQDDTVMQMYJG-UHFFFAOYSA-N 1 1 281.399 3.316 10 0 CGAEMO COc1ccccc1C[NH2+][C@@H]1CCCN[C@H]1c1ccccc1 ZINC000019360857 368750587 /nfs/dbraw/zinc/75/05/87/368750587.db2.gz DTQNEFOKTXXQKV-MJGOQNOKSA-N 1 1 296.414 3.278 10 0 in-vivo CGAEMO CC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)CC(C)C ZINC000036095396 369007228 /nfs/dbraw/zinc/00/72/28/369007228.db2.gz IMQRKQZPKNYXKT-OAHLLOKOSA-N 1 1 253.361 3.055 10 0 CGAEMO Cc1ccc([C@H](C)N[C@H](CC(C)C)C[NH+](C)C)o1 ZINC000037167152 369074859 /nfs/dbraw/zinc/07/48/59/369074859.db2.gz OBRHHPZZMPGZNZ-UONOGXRCSA-N 1 1 252.402 3.215 10 0 CGAEMO COc1cccc([C@]23CCCC[C@@H]2C[N@@H+](C)CC3)c1 ZINC000039398011 369151096 /nfs/dbraw/zinc/15/10/96/369151096.db2.gz NDEBTTKKQOYLNO-NVXWUHKLSA-N 1 1 259.393 3.459 10 0 CGAEMO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC000040502325 369158422 /nfs/dbraw/zinc/15/84/22/369158422.db2.gz SXJLDVDHHKQHOJ-AAEUAGOBSA-N 1 1 268.351 3.100 10 0 CGAEMO CC[N@H+]1CCC[C@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC000040502325 369158423 /nfs/dbraw/zinc/15/84/23/369158423.db2.gz SXJLDVDHHKQHOJ-AAEUAGOBSA-N 1 1 268.351 3.100 10 0 CGAEMO CCn1nc(C)c([C@@H](C)[NH2+]Cc2nc(C)cs2)c1C ZINC000045172018 369276832 /nfs/dbraw/zinc/27/68/32/369276832.db2.gz JYLHBBJTEYCKDG-SNVBAGLBSA-N 1 1 278.425 3.136 10 0 CGAEMO OCCC[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000052762331 369470501 /nfs/dbraw/zinc/47/05/01/369470501.db2.gz FHRZLCNRPAQGLO-CQSZACIVSA-N 1 1 253.773 3.077 10 0 CGAEMO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCCOc1ccccc1 ZINC000083704431 370009351 /nfs/dbraw/zinc/00/93/51/370009351.db2.gz KUBBGRMWNDGALM-IAGOWNOFSA-N 1 1 288.435 3.014 10 0 CGAEMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCOc1ccccc1 ZINC000083704431 370009355 /nfs/dbraw/zinc/00/93/55/370009355.db2.gz KUBBGRMWNDGALM-IAGOWNOFSA-N 1 1 288.435 3.014 10 0 CGAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCCOc1ccccc1 ZINC000083704431 370009361 /nfs/dbraw/zinc/00/93/61/370009361.db2.gz KUBBGRMWNDGALM-IAGOWNOFSA-N 1 1 288.435 3.014 10 0 CGAEMO Clc1ccc2c(n1)CC[N@H+](Cc1ccccc1)CC2 ZINC000090493946 370062000 /nfs/dbraw/zinc/06/20/00/370062000.db2.gz NRFXDPYHBNTJJE-UHFFFAOYSA-N 1 1 272.779 3.336 10 0 CGAEMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc[nH]c1 ZINC000092101020 370092718 /nfs/dbraw/zinc/09/27/18/370092718.db2.gz KWUDRXASIRKLNK-UHFFFAOYSA-N 1 1 294.402 3.469 10 0 CGAEMO COc1c(C)cc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1C ZINC000092810780 370101841 /nfs/dbraw/zinc/10/18/41/370101841.db2.gz OMICZKQCWRZXGA-UHFFFAOYSA-N 1 1 299.418 3.415 10 0 CGAEMO C[C@@H]1COC[C@H](C)[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000093607406 370146648 /nfs/dbraw/zinc/14/66/48/370146648.db2.gz KBMWFKIRERCUFU-PHIMTYICSA-N 1 1 289.297 3.194 10 0 CGAEMO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000093607406 370146650 /nfs/dbraw/zinc/14/66/50/370146650.db2.gz KBMWFKIRERCUFU-PHIMTYICSA-N 1 1 289.297 3.194 10 0 CGAEMO C[N@@H+](CCc1c(F)cccc1Cl)C[C@@H]1CCCO1 ZINC000102769948 370310373 /nfs/dbraw/zinc/31/03/73/370310373.db2.gz MXIZPOOGFIVULR-NSHDSACASA-N 1 1 271.763 3.132 10 0 CGAEMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116298899 370554698 /nfs/dbraw/zinc/55/46/98/370554698.db2.gz ZUQFHBLMQPMKAG-OAHLLOKOSA-N 1 1 285.343 3.403 10 0 CGAEMO O[C@H](C[N@H+]1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000116293844 370554966 /nfs/dbraw/zinc/55/49/66/370554966.db2.gz PELPLMSKOSRCAB-HUUCEWRRSA-N 1 1 257.333 3.150 10 0 CGAEMO Cn1cc([C@@H]2CC[N@H+]([C@@H]3CCCc4ccc(F)cc43)C2)cn1 ZINC000132916096 371212817 /nfs/dbraw/zinc/21/28/17/371212817.db2.gz CNUNKMQIAYVYEF-RDTXWAMCSA-N 1 1 299.393 3.426 10 0 CGAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)c(C)c1 ZINC000133198720 371236060 /nfs/dbraw/zinc/23/60/60/371236060.db2.gz XEQJCWRIWYQOSY-CQSZACIVSA-N 1 1 294.826 3.205 10 0 CGAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1c(C)cc(C)cc1C ZINC000153555623 371775127 /nfs/dbraw/zinc/77/51/27/371775127.db2.gz IPJWFJPPVPFTIC-INIZCTEOSA-N 1 1 288.435 3.168 10 0 CGAEMO C[C@@H](N[C@H](C)C1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000422742928 371779788 /nfs/dbraw/zinc/77/97/88/371779788.db2.gz HGUICLOVUMBEMY-RKDXNWHRSA-N 1 1 273.207 3.252 10 0 CGAEMO Fc1ccc(CC[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1F ZINC000153929666 371800261 /nfs/dbraw/zinc/80/02/61/371800261.db2.gz NGNMPBVCQXBQOH-INIZCTEOSA-N 1 1 291.345 3.458 10 0 CGAEMO CCc1ccc([C@@H](C)[NH2+]Cc2nnc(C)n2C2CC2)cc1 ZINC000154714080 371871340 /nfs/dbraw/zinc/87/13/40/371871340.db2.gz VKCANZKBPOZOSK-GFCCVEGCSA-N 1 1 284.407 3.335 10 0 CGAEMO Cc1c[nH]c(=S)n1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000156395693 371976786 /nfs/dbraw/zinc/97/67/86/371976786.db2.gz MZMYTUBVPJBWAY-HNNXBMFYSA-N 1 1 287.432 3.317 10 0 CGAEMO Cc1cccc([C@@H](C)[NH2+]Cc2ncnn2CC(C)C)c1 ZINC000157306385 372013339 /nfs/dbraw/zinc/01/33/39/372013339.db2.gz FIPZWUAIDLDDKX-CQSZACIVSA-N 1 1 272.396 3.093 10 0 CGAEMO CCc1ccc([C@H](C)[NH2+][C@H]2CCCn3ncnc32)s1 ZINC000164806331 372534832 /nfs/dbraw/zinc/53/48/32/372534832.db2.gz SXOBOQOKTDNSIK-JQWIXIFHSA-N 1 1 276.409 3.088 10 0 CGAEMO CC(C)c1nnc(C[N@H+](C)CCC2CCCCC2)n1C ZINC000170652166 372647386 /nfs/dbraw/zinc/64/73/86/372647386.db2.gz OEDGBMYRZGKBSP-UHFFFAOYSA-N 1 1 278.444 3.341 10 0 CGAEMO CC(C)c1nnc(C[N@@H+](C)CCC2CCCCC2)n1C ZINC000170652166 372647392 /nfs/dbraw/zinc/64/73/92/372647392.db2.gz OEDGBMYRZGKBSP-UHFFFAOYSA-N 1 1 278.444 3.341 10 0 CGAEMO CC(C)c1nnc(C[N@H+](C(C)C)C2CCCCC2)n1C ZINC000171139249 372718508 /nfs/dbraw/zinc/71/85/08/372718508.db2.gz KQONTSLWEAFEHH-UHFFFAOYSA-N 1 1 278.444 3.482 10 0 CGAEMO CC(C)OCCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000171500896 372774532 /nfs/dbraw/zinc/77/45/32/372774532.db2.gz JGRMIPIHWRWUMX-CYBMUJFWSA-N 1 1 268.426 3.485 10 0 CGAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3cccnc3Cl)C2)c1 ZINC000171623250 372797462 /nfs/dbraw/zinc/79/74/62/372797462.db2.gz FPROUGIWPBCVRL-AWEZNQCLSA-N 1 1 290.798 3.077 10 0 CGAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cccnc3Cl)C2)c1 ZINC000171623250 372797470 /nfs/dbraw/zinc/79/74/70/372797470.db2.gz FPROUGIWPBCVRL-AWEZNQCLSA-N 1 1 290.798 3.077 10 0 CGAEMO O=C(c1cccs1)N1CCC[N@H+]([C@@H]2C=CCCC2)CC1 ZINC000171829257 372836204 /nfs/dbraw/zinc/83/62/04/372836204.db2.gz JCWXEJUKLCPKDD-CQSZACIVSA-N 1 1 290.432 3.005 10 0 CGAEMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1nnc2n1CCCC2 ZINC000173622216 373165809 /nfs/dbraw/zinc/16/58/09/373165809.db2.gz ZPXZHFSEKPAUKW-VXGBXAGGSA-N 1 1 288.370 3.165 10 0 CGAEMO CSCCC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000173650315 373171440 /nfs/dbraw/zinc/17/14/40/373171440.db2.gz FRDFBDBUZAHKLL-LLVKDONJSA-N 1 1 256.440 3.076 10 0 CGAEMO COC[C@H](C)[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173802298 373193081 /nfs/dbraw/zinc/19/30/81/373193081.db2.gz DXPAHAPYAXADPM-QWHCGFSZSA-N 1 1 282.453 3.481 10 0 CGAEMO CCc1nnc(C[N@@H+]2CCCC3(C2)CCCCCC3)n1C ZINC000174172216 373262307 /nfs/dbraw/zinc/26/23/07/373262307.db2.gz MQGVWOYXQNXEGO-UHFFFAOYSA-N 1 1 290.455 3.314 10 0 CGAEMO CCc1nnc(C[N@H+]2CCCC3(C2)CCCCCC3)n1C ZINC000174172216 373262314 /nfs/dbraw/zinc/26/23/14/373262314.db2.gz MQGVWOYXQNXEGO-UHFFFAOYSA-N 1 1 290.455 3.314 10 0 CGAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCC1CCCC1 ZINC000174959576 373386132 /nfs/dbraw/zinc/38/61/32/373386132.db2.gz VHKNGRQTXOANCU-JKSUJKDBSA-N 1 1 278.440 3.042 10 0 CGAEMO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CCCCCCO ZINC000175758777 373516895 /nfs/dbraw/zinc/51/68/95/373516895.db2.gz UYVGQBVVPBQNCK-KRWDZBQOSA-N 1 1 291.435 3.391 10 0 CGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cccc(C)c1C ZINC000177159111 373658737 /nfs/dbraw/zinc/65/87/37/373658737.db2.gz NQXQHSJWNRNXER-INIZCTEOSA-N 1 1 297.402 3.113 10 0 CGAEMO CCc1cc(N[C@H]2CCc3ccccc32)nc(C)[nH+]1 ZINC000301363481 373759926 /nfs/dbraw/zinc/75/99/26/373759926.db2.gz RFXLXMBKCDFTBZ-HNNXBMFYSA-N 1 1 253.349 3.447 10 0 CGAEMO CC(C)C[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000302502475 373883252 /nfs/dbraw/zinc/88/32/52/373883252.db2.gz AMWDLIRIDRDYFU-CAOSSQGBSA-N 1 1 253.430 3.437 10 0 CGAEMO C[C@@H](C[N@H+]1CCC[C@@H]1CCCO)C1CCCCC1 ZINC000311240828 374237300 /nfs/dbraw/zinc/23/73/00/374237300.db2.gz ZCZTTYMWICOVSL-GOEBONIOSA-N 1 1 253.430 3.440 10 0 CGAEMO C[C@H]1C[N@@H+](Cc2cn(C)nc2C2CCCCC2)CCS1 ZINC000183044387 374361929 /nfs/dbraw/zinc/36/19/29/374361929.db2.gz TXHCBIVUYRSMEN-ZDUSSCGKSA-N 1 1 293.480 3.405 10 0 CGAEMO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](CCC2CCCCC2)C1 ZINC000330177182 374448811 /nfs/dbraw/zinc/44/88/11/374448811.db2.gz CVGGMCIFSVZXCL-GJZGRUSLSA-N 1 1 293.411 3.110 10 0 CGAEMO Cn1cc([C@H]2CCC[N@@H+]2CCC(Cl)(Cl)Cl)cn1 ZINC000184511316 374534020 /nfs/dbraw/zinc/53/40/20/374534020.db2.gz LSBCVGBCRZDCBM-SNVBAGLBSA-N 1 1 296.629 3.317 10 0 CGAEMO Cn1cc([C@H]2CCC[N@H+]2CCC(Cl)(Cl)Cl)cn1 ZINC000184511316 374534023 /nfs/dbraw/zinc/53/40/23/374534023.db2.gz LSBCVGBCRZDCBM-SNVBAGLBSA-N 1 1 296.629 3.317 10 0 CGAEMO C[C@H](c1cnccn1)[N@H+]1CC=C(c2cccs2)CC1 ZINC000184562331 374540560 /nfs/dbraw/zinc/54/05/60/374540560.db2.gz YXKBROKCRVEIFT-GFCCVEGCSA-N 1 1 271.389 3.388 10 0 CGAEMO C[C@H](c1cnccn1)[N@@H+]1CC=C(c2cccs2)CC1 ZINC000184562331 374540564 /nfs/dbraw/zinc/54/05/64/374540564.db2.gz YXKBROKCRVEIFT-GFCCVEGCSA-N 1 1 271.389 3.388 10 0 CGAEMO C[C@@H](c1cnccn1)[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000185582639 374691752 /nfs/dbraw/zinc/69/17/52/374691752.db2.gz TYSJKBMQKPXRGM-ZDUSSCGKSA-N 1 1 283.350 3.466 10 0 CGAEMO C[C@@H](c1cnccn1)[N@@H+]1CC=C(c2ccccc2F)CC1 ZINC000185582639 374691756 /nfs/dbraw/zinc/69/17/56/374691756.db2.gz TYSJKBMQKPXRGM-ZDUSSCGKSA-N 1 1 283.350 3.466 10 0 CGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[C@@H]1C ZINC000185973340 374777711 /nfs/dbraw/zinc/77/77/11/374777711.db2.gz OLQYXLYCONCCMZ-BPUTZDHNSA-N 1 1 289.423 3.009 10 0 CGAEMO CCCc1cccc(C[N@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000186937232 374941787 /nfs/dbraw/zinc/94/17/87/374941787.db2.gz MKLRVHPOHQPUKI-KRWDZBQOSA-N 1 1 284.407 3.068 10 0 CGAEMO CCCc1cccc(C[NH2+][C@H]2CCCn3nc(CC)nc32)c1 ZINC000187291119 374998349 /nfs/dbraw/zinc/99/83/49/374998349.db2.gz YIOVXJHBLWBKNV-INIZCTEOSA-N 1 1 298.434 3.418 10 0 CGAEMO Cc1csc([C@@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)n1 ZINC000188981988 375304103 /nfs/dbraw/zinc/30/41/03/375304103.db2.gz CRIDDGYNUWYQBG-KGLIPLIRSA-N 1 1 280.437 3.200 10 0 CGAEMO CCC(CC)C[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000190288861 375491506 /nfs/dbraw/zinc/49/15/06/375491506.db2.gz MRSBIGQJLMNHJC-CABCVRRESA-N 1 1 267.438 3.192 10 0 CGAEMO O=C(c1ccc(C2CCC2)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000190439318 375508645 /nfs/dbraw/zinc/50/86/45/375508645.db2.gz 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CC[C@@H]1C[NH+](CCOc2cncc(Cl)c2)C[C@@H](CC)O1 ZINC000675075956 543313581 /nfs/dbraw/zinc/31/35/81/543313581.db2.gz HGMLYTMLIFUSBS-ZIAGYGMSSA-N 1 1 298.814 3.003 10 0 CGAEMO C[C@H](NCC[C@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000678738560 543552129 /nfs/dbraw/zinc/55/21/29/543552129.db2.gz FIJGPTDOHIJMAB-WCQYABFASA-N 1 1 268.351 3.100 10 0 CGAEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@@H]3CCCO3)C2)cc1 ZINC000076394157 165109987 /nfs/dbraw/zinc/10/99/87/165109987.db2.gz BERURDNEDBVFTM-LXZKKBNFSA-N 1 1 275.392 3.052 10 0 CGAEMO CC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccccc1 ZINC000090224878 165231544 /nfs/dbraw/zinc/23/15/44/165231544.db2.gz LTPBBWQZGRTECL-LSDHHAIUSA-N 1 1 270.380 3.162 10 0 CGAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000090223943 165232470 /nfs/dbraw/zinc/23/24/70/165232470.db2.gz YTCLFUYDJIBYNH-PXAZEXFGSA-N 1 1 296.418 3.261 10 0 CGAEMO CCCn1ccc(CNC[C@H](C(CC)CC)[NH+](C)C)c1 ZINC000091009984 165251861 /nfs/dbraw/zinc/25/18/61/165251861.db2.gz LMDQTXCVTUSQIS-QGZVFWFLSA-N 1 1 279.472 3.354 10 0 CGAEMO Cc1nn(C)cc1C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000092973480 165322698 /nfs/dbraw/zinc/32/26/98/165322698.db2.gz VBQAHAZJOFTHGB-KRWDZBQOSA-N 1 1 299.418 3.081 10 0 CGAEMO Cc1nn(C)cc1C[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000092973480 165322701 /nfs/dbraw/zinc/32/27/01/165322701.db2.gz VBQAHAZJOFTHGB-KRWDZBQOSA-N 1 1 299.418 3.081 10 0 CGAEMO OCCC[C@H]1CCC[N@H+]1Cc1cccc(F)c1Cl ZINC000093170894 165324893 /nfs/dbraw/zinc/32/48/93/165324893.db2.gz BNKFNMIGAIMMDF-GFCCVEGCSA-N 1 1 271.763 3.216 10 0 CGAEMO Cc1ccc([C@H]2C[N@@H+](C[C@H]3CC=CCC3)CCO2)o1 ZINC000093864646 165339016 /nfs/dbraw/zinc/33/90/16/165339016.db2.gz KROYUAJCCCHUDK-GOEBONIOSA-N 1 1 261.365 3.318 10 0 CGAEMO CC[N@H+]1CCC[C@H](Nc2ncc(Br)cc2C)C1 ZINC000094050667 165342925 /nfs/dbraw/zinc/34/29/25/165342925.db2.gz KCHMUXFXADJHIF-LBPRGKRZSA-N 1 1 298.228 3.049 10 0 CGAEMO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CC=C(c2cccs2)CC1 ZINC000172195160 165522355 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268.320 3.085 10 0 CGAEMO CC(C)c1nnc(C[NH2+]C(C)(C)c2ccc(F)cc2)n1C ZINC000171671998 623181962 /nfs/dbraw/zinc/18/19/62/623181962.db2.gz KYNJWHGKZCFTOO-UHFFFAOYSA-N 1 1 290.386 3.103 10 0 CGAEMO CCC[C@@H]([NH3+])c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000062606812 623250094 /nfs/dbraw/zinc/25/00/94/623250094.db2.gz IJCBCCUMRWAUGL-LLVKDONJSA-N 1 1 283.734 3.253 10 0 CGAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CCCCCCC1 ZINC000172926769 623295164 /nfs/dbraw/zinc/29/51/64/623295164.db2.gz LTPDZTHBDYCNDS-GOEBONIOSA-N 1 1 278.440 3.042 10 0 CGAEMO CCC[C@@H]([NH3+])c1nc([C@@H]2CSc3ccccc3O2)no1 ZINC000232009825 623354317 /nfs/dbraw/zinc/35/43/17/623354317.db2.gz KHJSVHZGQPAZPO-KOLCDFICSA-N 1 1 291.376 3.095 10 0 CGAEMO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(Cl)c1O ZINC000248406273 640755681 /nfs/dbraw/zinc/75/56/81/640755681.db2.gz BTTLYMDGKKUFRY-KBPBESRZSA-N 1 1 294.826 3.104 10 0 CGAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(Cl)c1O ZINC000248406273 640755684 /nfs/dbraw/zinc/75/56/84/640755684.db2.gz 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348859014 /nfs/dbraw/zinc/85/90/14/348859014.db2.gz MYJUZPALWBHKRO-MRXNPFEDSA-N 1 1 284.403 3.449 10 0 CGAEMO CC(C)[N@H+]1CCc2ccccc2[C@H]1c1cccnc1 ZINC000616678135 348865077 /nfs/dbraw/zinc/86/50/77/348865077.db2.gz DEEFONOCWKSFCV-QGZVFWFLSA-N 1 1 252.361 3.438 10 0 CGAEMO CNc1ccc([C@@H]2CC[N@H+](C(C)(C)C)CCO2)cc1 ZINC000616684079 348866961 /nfs/dbraw/zinc/86/69/61/348866961.db2.gz BLLJLJAMRHTNBK-HNNXBMFYSA-N 1 1 262.397 3.290 10 0 CGAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cccc(O)c1 ZINC000122802128 187052760 /nfs/dbraw/zinc/05/27/60/187052760.db2.gz GTWPSMKDTJHWML-MRXNPFEDSA-N 1 1 285.391 3.080 10 0 CGAEMO CCOc1cccc(CN(C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000123361986 187087002 /nfs/dbraw/zinc/08/70/02/187087002.db2.gz GNXXDNJYEADCJG-MRXNPFEDSA-N 1 1 276.424 3.001 10 0 CGAEMO CCc1csc([C@@H]2CCC[N@@H+](C[C@](C)(O)CC)C2)n1 ZINC000123474632 187094487 /nfs/dbraw/zinc/09/44/87/187094487.db2.gz CTYKNCGFMXOOAJ-IUODEOHRSA-N 1 1 282.453 3.046 10 0 CGAEMO COc1c(C[N@H+]2CCC[C@H]2c2ccccc2)c(C)nn1C 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ZINC000123724895 138370105 /nfs/dbraw/zinc/37/01/05/138370105.db2.gz GZSAJGCSWKSHSH-HNNXBMFYSA-N 1 1 284.831 3.024 10 0 CGAEMO Cc1csc([C@H]2CCC[N@H+]([C@H](C)c3cnccn3)C2)n1 ZINC000248598470 138553897 /nfs/dbraw/zinc/55/38/97/138553897.db2.gz BHHCTXIKSMWAIV-OLZOCXBDSA-N 1 1 288.420 3.182 10 0 CGAEMO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000176685283 189004578 /nfs/dbraw/zinc/00/45/78/189004578.db2.gz ZKPRWJDRYZTYOF-GXFFZTMASA-N 1 1 276.771 3.117 10 0 CGAEMO CCc1ccc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000177136953 189031569 /nfs/dbraw/zinc/03/15/69/189031569.db2.gz HNMNFTGUQOGTAW-KRWDZBQOSA-N 1 1 297.402 3.059 10 0 CGAEMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1nnc(C2CC2)n1C ZINC000177537162 189055454 /nfs/dbraw/zinc/05/54/54/189055454.db2.gz JEBCTJVBMLEXNW-BBRMVZONSA-N 1 1 296.418 3.071 10 0 CGAEMO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000181081421 189288015 /nfs/dbraw/zinc/28/80/15/189288015.db2.gz WIUYARPRHWOALO-SWLSCSKDSA-N 1 1 296.374 3.459 10 0 CGAEMO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000181081421 189288016 /nfs/dbraw/zinc/28/80/16/189288016.db2.gz WIUYARPRHWOALO-SWLSCSKDSA-N 1 1 296.374 3.459 10 0 CGAEMO Cc1cccc(CCC[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000181114955 189289401 /nfs/dbraw/zinc/28/94/01/189289401.db2.gz NRUPCIPKTPVRLV-KRWDZBQOSA-N 1 1 283.419 3.151 10 0 CGAEMO C[C@@H]1C[C@@H](Nc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000301622695 201101190 /nfs/dbraw/zinc/10/11/90/201101190.db2.gz OEASEYDBJINWQZ-GDBMZVCRSA-N 1 1 267.376 3.157 10 0 CGAEMO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000183067373 189344890 /nfs/dbraw/zinc/34/48/90/189344890.db2.gz MQEGIKMVDRGQFA-ZIAGYGMSSA-N 1 1 278.396 3.030 10 0 CGAEMO CCc1nnc(C[N@H+]2CCCCC[C@H]2CC(C)C)n1C ZINC000120743065 370796206 /nfs/dbraw/zinc/79/62/06/370796206.db2.gz HEMXSDGPFPRQLV-AWEZNQCLSA-N 1 1 278.444 3.168 10 0 CGAEMO CCO[C@H]1C[C@@H]([N@@H+](C)CCc2ccccn2)C12CCCC2 ZINC000121190886 370837675 /nfs/dbraw/zinc/83/76/75/370837675.db2.gz ZWEZUCMAZLQBCR-SJORKVTESA-N 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/nfs/dbraw/zinc/20/62/69/618206269.db2.gz XFIBKKIWHFZMPS-GQSKFBFOSA-N 1 1 288.435 3.123 10 0 CGAEMO Cc1cccc(Cc2noc([C@H]([NH3+])CC(C)C)n2)c1 ZINC000043561000 622330990 /nfs/dbraw/zinc/33/09/90/622330990.db2.gz LWCCTFSNDCMMKV-CYBMUJFWSA-N 1 1 259.353 3.015 10 0 CGAEMO Cc1cccc(NC[C@H]2CC[N@@H+](C[Si](C)(C)C)C2)n1 ZINC000171736082 623187301 /nfs/dbraw/zinc/18/73/01/623187301.db2.gz HTOMXAPCIFADEB-CQSZACIVSA-N 1 1 277.488 3.001 10 0 CGAEMO CCC[C@@H]([NH3+])c1nc(Cc2c(F)cccc2Cl)no1 ZINC000062351514 623226596 /nfs/dbraw/zinc/22/65/96/623226596.db2.gz FSMTUMZASCWFJI-LLVKDONJSA-N 1 1 283.734 3.253 10 0 CGAEMO COc1c(C[N@@H+](C)C2CCCCCCC2)c(C)nn1C ZINC000092737039 640744714 /nfs/dbraw/zinc/74/47/14/640744714.db2.gz NXFAKSIQSLQQQA-UHFFFAOYSA-N 1 1 279.428 3.282 10 0 CGAEMO C/C=C(/C)C[N@@H+]1CCO[C@H](Cc2ccc(F)cc2)C1 ZINC000096797879 640838297 /nfs/dbraw/zinc/83/82/97/640838297.db2.gz HLAOUTDSJJWHGH-QMMNQCBRSA-N 1 1 263.356 3.035 10 0 CGAEMO C/C=C(/C)C[N@H+]1CCO[C@H](Cc2ccc(F)cc2)C1 ZINC000096797879 640838300 /nfs/dbraw/zinc/83/83/00/640838300.db2.gz HLAOUTDSJJWHGH-QMMNQCBRSA-N 1 1 263.356 3.035 10 0 CGAEMO Cc1nccnc1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000621325665 349495505 /nfs/dbraw/zinc/49/55/05/349495505.db2.gz FXKBERQEDSAMLW-JTQLQIEISA-N 1 1 261.756 3.289 10 0 CGAEMO N[C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C1CCCC1 ZINC000096950670 185140142 /nfs/dbraw/zinc/14/01/42/185140142.db2.gz HCVMPMSCFCCDMW-IRXDYDNUSA-N 1 1 258.409 3.169 10 0 CGAEMO N[C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C1CCCC1 ZINC000096950670 185140143 /nfs/dbraw/zinc/14/01/43/185140143.db2.gz HCVMPMSCFCCDMW-IRXDYDNUSA-N 1 1 258.409 3.169 10 0 CGAEMO [NH3+][C@H]1CCCN(Cc2ccccc2)[C@H]1C1CCCC1 ZINC000096950670 185140145 /nfs/dbraw/zinc/14/01/45/185140145.db2.gz HCVMPMSCFCCDMW-IRXDYDNUSA-N 1 1 258.409 3.169 10 0 CGAEMO CCc1ccc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000013586297 344880742 /nfs/dbraw/zinc/88/07/42/344880742.db2.gz IBTPITFWLATLDD-XYPWUTKMSA-N 1 1 273.376 3.031 10 0 CGAEMO COc1ccc(C[NH2+]C2(c3nccs3)CCC2)cc1 ZINC000115954978 345973899 /nfs/dbraw/zinc/97/38/99/345973899.db2.gz PBNLZNFIVXJLJI-UHFFFAOYSA-N 1 1 274.389 3.321 10 0 CGAEMO CC(C)CSCCC[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000155899377 346156293 /nfs/dbraw/zinc/15/62/93/346156293.db2.gz FOUNTOWJDFUSSS-MRXNPFEDSA-N 1 1 294.464 3.314 10 0 CGAEMO C[C@H]1C[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)CCS1 ZINC000171695282 346210175 /nfs/dbraw/zinc/21/01/75/346210175.db2.gz KNHIBJJDWMZEIO-NSHDSACASA-N 1 1 292.379 3.418 10 0 CGAEMO C[C@H]1C[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)CCS1 ZINC000171695282 346210177 /nfs/dbraw/zinc/21/01/77/346210177.db2.gz KNHIBJJDWMZEIO-NSHDSACASA-N 1 1 292.379 3.418 10 0 CGAEMO CC1CCC(C[N@H+]2CCCC[C@@H]2c2nnc[nH]2)CC1 ZINC000182631862 346256864 /nfs/dbraw/zinc/25/68/64/346256864.db2.gz DAKOINWUYBRAKL-JXQTWKCFSA-N 1 1 262.401 3.158 10 0 CGAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2c(C)cccc2Cl)C1 ZINC000186293708 346259568 /nfs/dbraw/zinc/25/95/68/346259568.db2.gz ZPDAAYGYZODZOH-GFCCVEGCSA-N 1 1 295.814 3.254 10 0 CGAEMO CCCc1c(C(F)(F)F)nc2n1[C@H](C)C[NH2+][C@H]2C ZINC000221252547 346297620 /nfs/dbraw/zinc/29/76/20/346297620.db2.gz QFQTZKVKLPIWSE-SFYZADRCSA-N 1 1 261.291 3.080 10 0 CGAEMO CCNc1c(N)c[nH+]c2cc(Cl)c(C)c(Cl)c21 ZINC000584882890 346721507 /nfs/dbraw/zinc/72/15/07/346721507.db2.gz YXPBMXIWSBUBCD-UHFFFAOYSA-N 1 1 270.163 3.286 10 0 CGAEMO Cc1cc(Cl)cc2c(C3CCOCC3)[nH+]cn21 ZINC000584605910 346691126 /nfs/dbraw/zinc/69/11/26/346691126.db2.gz OJDGEQNEKWFIGY-UHFFFAOYSA-N 1 1 250.729 3.190 10 0 CGAEMO CCOC(=O)[C@]1(c2ccccc2)CC[N@H+]2CCCC[C@H]2C1 ZINC000584625891 346697339 /nfs/dbraw/zinc/69/73/39/346697339.db2.gz YXTCVEPSHDUTMJ-FUHWJXTLSA-N 1 1 287.403 3.136 10 0 CGAEMO C[N@H+]1CC[C@](O)(c2ccccc2)[C@]1(C)c1ccccc1 ZINC000584635306 346700284 /nfs/dbraw/zinc/70/02/84/346700284.db2.gz RZSWCQWVMNOBDB-ROUUACIJSA-N 1 1 267.372 3.125 10 0 CGAEMO CCOC(=O)[C@](CC)(c1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC000584634028 346700343 /nfs/dbraw/zinc/70/03/43/346700343.db2.gz ZBUPBGPGRJHQFB-FUHWJXTLSA-N 1 1 289.419 3.239 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