smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)cc1 ZINC001566562769 1125736386 /nfs/dbraw/zinc/73/63/86/1125736386.db2.gz NQFTUMWMFPOTEU-INIZCTEOSA-N 1 1 331.460 2.076 10 10 EECEMO Cc1conc1C[NH2+]C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001498203232 1107075798 /nfs/dbraw/zinc/07/57/98/1107075798.db2.gz OJGHGDLEVJZINI-NSHDSACASA-N 1 1 344.375 2.054 10 10 EECEMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001466665491 1110440540 /nfs/dbraw/zinc/44/05/40/1110440540.db2.gz KEXOHTXYHSXKNT-WMLDXEAASA-N 1 1 340.423 2.277 10 10 EECEMO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN3CCCC3)C2)cc1C ZINC001565856885 1125437041 /nfs/dbraw/zinc/43/70/41/1125437041.db2.gz VUJSVOCPLXDJFP-HDICACEKSA-N 1 1 345.487 2.084 10 10 EECEMO CCOc1cccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)c1O ZINC000119792028 462927509 /nfs/dbraw/zinc/92/75/09/462927509.db2.gz CMUIVWNHBLULJN-MRXNPFEDSA-N 1 1 326.396 2.203 10 10 EECEMO CCOc1cccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(N)=O)c1O ZINC000119792028 462927516 /nfs/dbraw/zinc/92/75/16/462927516.db2.gz CMUIVWNHBLULJN-MRXNPFEDSA-N 1 1 326.396 2.203 10 10 EECEMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H](C)CC[C@@H]1C)cc2=O ZINC000072897557 463561128 /nfs/dbraw/zinc/56/11/28/463561128.db2.gz SAWBIPMSOBYMCG-RYUDHWBXSA-N 1 1 332.404 2.232 10 10 EECEMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)cc2)CC1 ZINC000775736024 577444271 /nfs/dbraw/zinc/44/42/71/577444271.db2.gz JJDSNXLMQFJXLD-UYAOXDASSA-N 1 1 329.488 2.439 10 10 EECEMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]4COCC[C@H]43)cc2)CC1 ZINC000775736024 577444272 /nfs/dbraw/zinc/44/42/72/577444272.db2.gz JJDSNXLMQFJXLD-UYAOXDASSA-N 1 1 329.488 2.439 10 10 EECEMO C[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000769468085 577578634 /nfs/dbraw/zinc/57/86/34/577578634.db2.gz ADUKAQNEZGQSGK-JTQLQIEISA-N 1 1 348.262 2.021 10 10 EECEMO Oc1cc2c(cc1C[N@@H+]1CCS[C@@H](C(F)(F)F)C1)[C@@H](O)CO2 ZINC000905705463 1189875341 /nfs/dbraw/zinc/87/53/41/1189875341.db2.gz NQEAYDMNKHDLKO-WCQYABFASA-N 1 1 335.347 2.298 10 10 EECEMO Oc1cc2c(cc1C[N@H+]1CCS[C@@H](C(F)(F)F)C1)[C@@H](O)CO2 ZINC000905705463 1189875344 /nfs/dbraw/zinc/87/53/44/1189875344.db2.gz NQEAYDMNKHDLKO-WCQYABFASA-N 1 1 335.347 2.298 10 10 EECEMO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCN1S(C)(=O)=O ZINC000827267032 1238880203 /nfs/dbraw/zinc/88/02/03/1238880203.db2.gz VJTFZVBJBWRAFN-CYBMUJFWSA-N 1 1 334.441 2.011 10 10 EECEMO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCN1S(C)(=O)=O ZINC000827267032 1238880218 /nfs/dbraw/zinc/88/02/18/1238880218.db2.gz VJTFZVBJBWRAFN-CYBMUJFWSA-N 1 1 334.441 2.011 10 10 EECEMO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000857243112 1293770366 /nfs/dbraw/zinc/77/03/66/1293770366.db2.gz WMALOTRDFSAQJB-KRWDZBQOSA-N 1 1 344.411 2.470 10 10 EECEMO CCOc1ccc(N2CC[NH+](C[C@H]3CN(C4CC4)C(=O)O3)CC2)cc1 ZINC001326706648 1334146850 /nfs/dbraw/zinc/14/68/50/1334146850.db2.gz GVYGAKOLGSKRAF-SFHVURJKSA-N 1 1 345.443 2.191 10 10 EECEMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001638347135 1352687743 /nfs/dbraw/zinc/68/77/43/1352687743.db2.gz DIZJLRXQWNGROR-LBPRGKRZSA-N 1 1 338.367 2.040 10 10 EECEMO COC(=O)C1=C(C)O[C@@H](C[N@@H+](C)CCN(C)c2ccc(OC)cc2)C1 ZINC001659281027 1354378566 /nfs/dbraw/zinc/37/85/66/1354378566.db2.gz NRKQSDGLQLFSKC-QGZVFWFLSA-N 1 1 348.443 2.299 10 10 EECEMO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCCN2C)cc1C ZINC001662263629 1354770790 /nfs/dbraw/zinc/77/07/90/1354770790.db2.gz VGGRYYLVZCCWIC-NVXWUHKLSA-N 1 1 333.476 2.082 10 10 EECEMO O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001136832095 788074684 /nfs/dbraw/zinc/07/46/84/788074684.db2.gz ARXDFUCJCMUYFK-QGZVFWFLSA-N 1 1 340.423 2.421 10 10 EECEMO O=C(N1CCCC1)N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000844257954 788973476 /nfs/dbraw/zinc/97/34/76/788973476.db2.gz UWLFYGLBMTVOLQ-UHFFFAOYSA-N 1 1 329.444 2.214 10 10 EECEMO CC[C@H](CNC(=O)[C@@H]1CCCN1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567951960 1124201936 /nfs/dbraw/zinc/20/19/36/1124201936.db2.gz DKXCYIRVWWPEOK-SJORKVTESA-N 1 1 333.476 2.082 10 10 EECEMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](O)[C@H]2CCCO2)c1 ZINC000527756699 317257679 /nfs/dbraw/zinc/25/76/79/317257679.db2.gz FXVLPAMEXMKPRS-CHWSQXEVSA-N 1 1 330.222 2.093 10 10 EECEMO c1ncn(C[C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000128487483 462644920 /nfs/dbraw/zinc/64/49/20/462644920.db2.gz FBTYPYXRXLWOMM-GOSISDBHSA-N 1 1 341.459 2.027 10 10 EECEMO C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000375792958 466875395 /nfs/dbraw/zinc/87/53/95/466875395.db2.gz RMFXJZCHCFHWGR-AABGKKOBSA-N 1 1 329.488 2.486 10 10 EECEMO CN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000375792958 466875399 /nfs/dbraw/zinc/87/53/99/466875399.db2.gz RMFXJZCHCFHWGR-AABGKKOBSA-N 1 1 329.488 2.486 10 10 EECEMO CC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1O ZINC000375861339 529207387 /nfs/dbraw/zinc/20/73/87/529207387.db2.gz MYUGFWNZZUZEBR-CVEARBPZSA-N 1 1 336.407 2.352 10 10 EECEMO Cc1cc(Cl)cc(C[NH+]2CCN(Cc3cnn(C)c3)CC2)c1O ZINC000775679182 577442680 /nfs/dbraw/zinc/44/26/80/577442680.db2.gz PVBXRUMZQDYKKJ-UHFFFAOYSA-N 1 1 334.851 2.405 10 10 EECEMO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(F)cc1O ZINC000757658114 577861992 /nfs/dbraw/zinc/86/19/92/577861992.db2.gz VAIHZKNQPNODPL-SWLSCSKDSA-N 1 1 346.406 2.107 10 10 EECEMO COC(=O)[C@]12C[C@H]1CCC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000933168281 1207736408 /nfs/dbraw/zinc/73/64/08/1207736408.db2.gz ZMJWNENEMCMBHN-APWZRJJASA-N 1 1 330.428 2.051 10 10 EECEMO COC(=O)[C@]12C[C@H]1CCC[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000933168281 1207736410 /nfs/dbraw/zinc/73/64/10/1207736410.db2.gz ZMJWNENEMCMBHN-APWZRJJASA-N 1 1 330.428 2.051 10 10 EECEMO CCOc1ccc(C[NH2+]C(c2ccnn2C)c2ccnn2C)c(O)c1 ZINC000858321740 1294082426 /nfs/dbraw/zinc/08/24/26/1294082426.db2.gz MKRHYJGLXOWKQV-UHFFFAOYSA-N 1 1 341.415 2.137 10 10 EECEMO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000858509705 1294138722 /nfs/dbraw/zinc/13/87/22/1294138722.db2.gz RVZSLTMQLIZWRS-FZMZJTMJSA-N 1 1 333.384 2.481 10 10 EECEMO CN(C)c1cc(F)c(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1F ZINC000862384632 1295819478 /nfs/dbraw/zinc/81/94/78/1295819478.db2.gz FMPJPKPXPUKOEP-MRRJBJDNSA-N 1 1 340.414 2.393 10 10 EECEMO O=C1OC[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC000862544600 1295873597 /nfs/dbraw/zinc/87/35/97/1295873597.db2.gz CGWGIDWVQFEFCQ-HUUCEWRRSA-N 1 1 345.399 2.190 10 10 EECEMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000862549944 1295876769 /nfs/dbraw/zinc/87/67/69/1295876769.db2.gz AVXPZIMRPJNQRE-LBPRGKRZSA-N 1 1 346.880 2.115 10 10 EECEMO Cc1cc(O)c(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c(Cl)c1 ZINC000840908268 1315433426 /nfs/dbraw/zinc/43/34/26/1315433426.db2.gz RDXHKHCLQHHWNE-GFCCVEGCSA-N 1 1 346.880 2.115 10 10 EECEMO C[NH+]1CCC2(CC1)CN(Cc1c(O)ccc(Cl)c1F)CCO2 ZINC000843431395 1315914071 /nfs/dbraw/zinc/91/40/71/1315914071.db2.gz FKGNNDXLOSXAMR-UHFFFAOYSA-N 1 1 328.815 2.481 10 10 EECEMO CN1CCN(c2ccc(C[N@H+]3C[C@H]4COC[C@]4(C)C3)cc2F)CC1 ZINC001261688882 1322155272 /nfs/dbraw/zinc/15/52/72/1322155272.db2.gz YIDCZJYWHJLRQL-LPHOPBHVSA-N 1 1 333.451 2.046 10 10 EECEMO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1C ZINC001317597058 1332317044 /nfs/dbraw/zinc/31/70/44/1332317044.db2.gz AEOWASCAXFMVLL-HZPDHXFCSA-N 1 1 342.443 2.078 10 10 EECEMO C[C@H]1CC[N@@H+](CC(=O)NCc2cc(Br)ccc2O)C1 ZINC000848067771 1338481252 /nfs/dbraw/zinc/48/12/52/1338481252.db2.gz BHZBLBLXIMKJBC-JTQLQIEISA-N 1 1 327.222 2.113 10 10 EECEMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816607767 784148767 /nfs/dbraw/zinc/14/87/67/784148767.db2.gz FIVXPWIQEFIOET-MRXNPFEDSA-N 1 1 348.468 2.401 10 10 EECEMO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cccc(Br)c1O ZINC000790619336 808848151 /nfs/dbraw/zinc/84/81/51/808848151.db2.gz QKVDFUUHGHFZRS-YPMHNXCESA-N 1 1 346.265 2.402 10 10 EECEMO COc1ccc(C[NH2+][C@@H](CNC(=O)c2[nH]ncc2F)C2CC2)cc1C ZINC001480043544 1099544775 /nfs/dbraw/zinc/54/47/75/1099544775.db2.gz IMZBDDYHZSVOPE-HNNXBMFYSA-N 1 1 346.406 2.164 10 10 EECEMO COc1cccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1O ZINC000093147802 533481230 /nfs/dbraw/zinc/48/12/30/533481230.db2.gz UYKFKPWWKAVVPR-KRWDZBQOSA-N 1 1 333.476 2.003 10 10 EECEMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cccc(OCC)c1O ZINC000373587492 466857716 /nfs/dbraw/zinc/85/77/16/466857716.db2.gz XNTDZYRGKYHWSQ-GJZGRUSLSA-N 1 1 337.416 2.333 10 10 EECEMO C[C@H]([NH2+]Cc1nnnn1C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000766845205 577525758 /nfs/dbraw/zinc/52/57/58/577525758.db2.gz XWAARKMMLLLOBA-AWEZNQCLSA-N 1 1 344.463 2.116 10 10 EECEMO COC[C@H]1C[N@@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)CCO1 ZINC000742157338 578128163 /nfs/dbraw/zinc/12/81/63/578128163.db2.gz KRKUCJXQMOJGSP-CQSZACIVSA-N 1 1 345.395 2.179 10 10 EECEMO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cccc(F)c1O ZINC000310060059 679814311 /nfs/dbraw/zinc/81/43/11/679814311.db2.gz ZYPSKJWURRZQCV-CYBMUJFWSA-N 1 1 340.395 2.257 10 10 EECEMO COC(=O)c1c(C[N@H+]2CCC[C@@H](O)CC2)c2cc(F)ccc2n1C ZINC000894866701 683240046 /nfs/dbraw/zinc/24/00/46/683240046.db2.gz YLYCSGQWMVTBMF-CYBMUJFWSA-N 1 1 334.391 2.451 10 10 EECEMO c1cc(CNCc2ccc3c(c2)CCCO3)c(O[C@H]2CC[NH2+]C2)cn1 ZINC000904451230 694399376 /nfs/dbraw/zinc/39/93/76/694399376.db2.gz XXGPBAQRMYUIAP-SFHVURJKSA-N 1 1 339.439 2.437 10 10 EECEMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](O)CCC2(O)CCC2)cc1 ZINC000930849951 1206587472 /nfs/dbraw/zinc/58/74/72/1206587472.db2.gz RLZPXDMGCWPJAO-KRWDZBQOSA-N 1 1 336.476 2.119 10 10 EECEMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC000900405387 1234321684 /nfs/dbraw/zinc/32/16/84/1234321684.db2.gz WCWWWNCCJVLLKU-HXUWFJFHSA-N 1 1 345.487 2.140 10 10 EECEMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000801991617 1236621435 /nfs/dbraw/zinc/62/14/35/1236621435.db2.gz VDMSVAKEDRLFJA-HNNXBMFYSA-N 1 1 341.402 2.025 10 10 EECEMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000801991617 1236621437 /nfs/dbraw/zinc/62/14/37/1236621437.db2.gz VDMSVAKEDRLFJA-HNNXBMFYSA-N 1 1 341.402 2.025 10 10 EECEMO CCN(C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000854297747 1292708900 /nfs/dbraw/zinc/70/89/00/1292708900.db2.gz WDMNZNSXIMXMDO-DOTOQJQBSA-N 1 1 346.475 2.010 10 10 EECEMO COc1ccc(O)c(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000857058303 1293709845 /nfs/dbraw/zinc/70/98/45/1293709845.db2.gz LCHOSYZHQAUJQK-INIZCTEOSA-N 1 1 333.409 2.160 10 10 EECEMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000862549943 1295877029 /nfs/dbraw/zinc/87/70/29/1295877029.db2.gz AVXPZIMRPJNQRE-GFCCVEGCSA-N 1 1 346.880 2.115 10 10 EECEMO C[C@]1(F)C[NH2+]CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000841853066 1315623825 /nfs/dbraw/zinc/62/38/25/1315623825.db2.gz VVZSDSOADKAHPK-KRWDZBQOSA-N 1 1 348.447 2.090 10 10 EECEMO COc1cc(Cl)cc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c1O ZINC001331582856 1335040638 /nfs/dbraw/zinc/04/06/38/1335040638.db2.gz YQJUCGISKPFZBS-CQSZACIVSA-N 1 1 341.835 2.418 10 10 EECEMO COc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cn1 ZINC001331691054 1335059332 /nfs/dbraw/zinc/05/93/32/1335059332.db2.gz LGKJUGXNWNYYRR-UHFFFAOYSA-N 1 1 333.344 2.045 10 10 EECEMO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccccc3O)n2)nn1 ZINC001654532228 1354151681 /nfs/dbraw/zinc/15/16/81/1354151681.db2.gz LDHDGWMWELIHDG-JTQLQIEISA-N 1 1 327.344 2.092 10 10 EECEMO CCN(CC[NH2+]Cc1ccon1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001668656571 1355980820 /nfs/dbraw/zinc/98/08/20/1355980820.db2.gz FDNSVMNHVJIMFI-UHFFFAOYSA-N 1 1 344.375 2.089 10 10 EECEMO C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C(=O)[O-] ZINC000818631082 785310778 /nfs/dbraw/zinc/31/07/78/785310778.db2.gz CAOUOGFEGAMLJZ-CRAIPNDOSA-N 1 1 331.460 2.124 10 10 EECEMO COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1O ZINC000844744637 789342754 /nfs/dbraw/zinc/34/27/54/789342754.db2.gz PMMGIZFFFVZUPA-ORPWPGRKSA-N 1 1 345.420 2.037 10 10 EECEMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C)cc2=O ZINC000789450775 808015103 /nfs/dbraw/zinc/01/51/03/808015103.db2.gz HFDKRWVFMSSLGG-AGIUHOORSA-N 1 1 346.431 2.478 10 10 EECEMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)C(C)(C)O ZINC001459566754 1110224072 /nfs/dbraw/zinc/22/40/72/1110224072.db2.gz BMPJVJDEFNUMPC-ZDUSSCGKSA-N 1 1 332.238 2.108 10 10 EECEMO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cnc(C)[nH]2)cc1C ZINC001507060129 1115087033 /nfs/dbraw/zinc/08/70/33/1115087033.db2.gz GUNSHWDTNKHDIY-ZDUSSCGKSA-N 1 1 330.432 2.285 10 10 EECEMO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000121242760 463103018 /nfs/dbraw/zinc/10/30/18/463103018.db2.gz KHZFXZYVTMTXRQ-CQSZACIVSA-N 1 1 329.448 2.323 10 10 EECEMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000187929659 464174281 /nfs/dbraw/zinc/17/42/81/464174281.db2.gz SPWKQZDNDWRXGT-OXQOHEQNSA-N 1 1 347.503 2.194 10 10 EECEMO CC[C@@H]1CCN1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000291686656 529329175 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CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000747847126 577951366 /nfs/dbraw/zinc/95/13/66/577951366.db2.gz LJTMOGNIEGTPDR-HXUWFJFHSA-N 1 1 345.487 2.261 10 10 EECEMO O=C(NCc1cc(Br)ccc1O)[C@H]1CCC[N@H+]1C1CC1 ZINC000804738546 675611481 /nfs/dbraw/zinc/61/14/81/675611481.db2.gz UMBVGMHCGBQLBO-CYBMUJFWSA-N 1 1 339.233 2.398 10 10 EECEMO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)C2)cc1 ZINC000898581226 693382965 /nfs/dbraw/zinc/38/29/65/693382965.db2.gz VHPMYWARXKTNQU-YOEHRIQHSA-N 1 1 331.460 2.263 10 10 EECEMO CCc1cc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)n[nH]1 ZINC001481209485 1180208124 /nfs/dbraw/zinc/20/81/24/1180208124.db2.gz PBIXTJAIDLGPRG-UHFFFAOYSA-N 1 1 330.432 2.151 10 10 EECEMO CC1(C)[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925501973 1206120314 /nfs/dbraw/zinc/12/03/14/1206120314.db2.gz JVSIUDGLCMKRKF-QYZOEREBSA-N 1 1 329.488 2.389 10 10 EECEMO CCN1CCN(c2ccc(CN[C@H]3CC[NH2+]C34CCC4)cc2F)CC1 ZINC000925557881 1206127875 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EECEMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c2ncnn21 ZINC001262201076 1322254152 /nfs/dbraw/zinc/25/41/52/1322254152.db2.gz NHGPVDDXJMGIBJ-DYVFJYSZSA-N 1 1 327.432 2.035 10 10 EECEMO CCCCN(Cc1ccccc1O)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908045416 785045953 /nfs/dbraw/zinc/04/59/53/785045953.db2.gz NWZAPCXXIPNCPN-LJQANCHMSA-N 1 1 334.460 2.368 10 10 EECEMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C(=O)[O-] ZINC000818631083 785309679 /nfs/dbraw/zinc/30/96/79/785309679.db2.gz CAOUOGFEGAMLJZ-MAUKXSAKSA-N 1 1 331.460 2.124 10 10 EECEMO O[C@H]1COCC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000824626315 788263508 /nfs/dbraw/zinc/26/35/08/788263508.db2.gz WITLUDJXZCFUHH-HXUWFJFHSA-N 1 1 338.451 2.442 10 10 EECEMO COc1ccc(O)c(CN2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000793369523 810290930 /nfs/dbraw/zinc/29/09/30/810290930.db2.gz JKFXCSAVSKHVMB-UHFFFAOYSA-N 1 1 329.400 2.127 10 10 EECEMO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)CC2 ZINC000293728060 464419411 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Cc1cc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)ccc1N(C)C ZINC000815014518 1197829251 /nfs/dbraw/zinc/82/92/51/1197829251.db2.gz QTUAZPXTJBNSCC-GOSISDBHSA-N 1 1 345.487 2.132 10 10 EECEMO CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868104325 1201744229 /nfs/dbraw/zinc/74/42/29/1201744229.db2.gz XLCMBRVUQBBXQQ-INIZCTEOSA-N 1 1 348.491 2.170 10 10 EECEMO C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccccc1O ZINC000868410456 1201807816 /nfs/dbraw/zinc/80/78/16/1201807816.db2.gz MIZINCUBMMVQSY-UAGQMJEPSA-N 1 1 347.459 2.396 10 10 EECEMO CC[C@@H](C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1)OC ZINC001276010292 1205634087 /nfs/dbraw/zinc/63/40/87/1205634087.db2.gz GASBLCCWZDPBFV-DOMZBBRYSA-N 1 1 349.435 2.324 10 10 EECEMO [NH3+][C@H]1C[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)C12CCC2 ZINC000925500355 1206120138 /nfs/dbraw/zinc/12/01/38/1206120138.db2.gz DNTLNEAYWJUQNW-RBUKOAKNSA-N 1 1 329.488 2.255 10 10 EECEMO c1cn([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)nn1 ZINC000931005682 1206598983 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NC(=O)N=Nc1ccc(C(=O)NCC[N@@H+](CCCF)C2CC2)cc1 ZINC001317560229 1332297843 /nfs/dbraw/zinc/29/78/43/1332297843.db2.gz IJCRTZRLBXEQMM-UHFFFAOYSA-N 1 1 335.383 2.403 10 10 EECEMO Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc(C)[nH+]1 ZINC001322916707 1333352525 /nfs/dbraw/zinc/35/25/25/1333352525.db2.gz VXVUVPNPHBXVLP-UHFFFAOYSA-N 1 1 340.427 2.279 10 10 EECEMO CCN1C[C@H](C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)OC1=O ZINC000846824064 790599846 /nfs/dbraw/zinc/59/98/46/790599846.db2.gz GSWCWPNJMFYXCI-CVEARBPZSA-N 1 1 334.416 2.214 10 10 EECEMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000822570778 787273514 /nfs/dbraw/zinc/27/35/14/787273514.db2.gz QWQKJVIMGOKRMY-GOSISDBHSA-N 1 1 345.487 2.354 10 10 EECEMO COCCOCC[NH+]1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000846116492 790055069 /nfs/dbraw/zinc/05/50/69/790055069.db2.gz IHAQYGOOQGYHRG-UHFFFAOYSA-N 1 1 342.867 2.135 10 10 EECEMO C[N@@H+](CCNC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000805183022 811173946 /nfs/dbraw/zinc/17/39/46/811173946.db2.gz AHEUDSCMVNPQJN-UHFFFAOYSA-N 1 1 342.237 2.048 10 10 EECEMO COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CCCC[N@H+]2C)cc1 ZINC001479490530 1098563049 /nfs/dbraw/zinc/56/30/49/1098563049.db2.gz KHCYQFZLKKKTHG-KRWDZBQOSA-N 1 1 348.491 2.257 10 10 EECEMO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001452518196 1105534921 /nfs/dbraw/zinc/53/49/21/1105534921.db2.gz CCOAHNSDZUZOJB-RWMBFGLXSA-N 1 1 347.419 2.077 10 10 EECEMO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001452518196 1105534926 /nfs/dbraw/zinc/53/49/26/1105534926.db2.gz CCOAHNSDZUZOJB-RWMBFGLXSA-N 1 1 347.419 2.077 10 10 EECEMO CCOc1ccc(O)c(CN2CCO[C@@H](c3nnc(CC)[nH]3)C2)c1 ZINC000129196830 462693492 /nfs/dbraw/zinc/69/34/92/462693492.db2.gz SPLBBQFVEYBWNE-OAHLLOKOSA-N 1 1 332.404 2.045 10 10 EECEMO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(F)cc3O)C2=O)n(C)n1 ZINC000186327610 463977957 /nfs/dbraw/zinc/97/79/57/463977957.db2.gz HWBBFWHKCDAOMX-WFASDCNBSA-N 1 1 346.406 2.419 10 10 EECEMO COc1cc(Cl)cc(C[NH+]2CCN(c3cc(C)[nH]n3)CC2)c1O ZINC000189015302 464415648 /nfs/dbraw/zinc/41/56/48/464415648.db2.gz CCQUYGWSMKIJOV-UHFFFAOYSA-N 1 1 336.823 2.408 10 10 EECEMO COc1cc(O)c(C[N@@H+]2CC=C(c3ccnn3C)CC2)cc1OC ZINC000285041103 464435070 /nfs/dbraw/zinc/43/50/70/464435070.db2.gz JCEDESFNNCYYML-UHFFFAOYSA-N 1 1 329.400 2.432 10 10 EECEMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1O ZINC000175661179 464596996 /nfs/dbraw/zinc/59/69/96/464596996.db2.gz HEVBAGSCIOHRBF-CYBMUJFWSA-N 1 1 332.379 2.238 10 10 EECEMO COC(=O)/C=C/c1ccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000266714524 464797229 /nfs/dbraw/zinc/79/72/29/464797229.db2.gz JXQMWXJXTLXALG-JGNQBTRVSA-N 1 1 345.399 2.454 10 10 EECEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155709248 490678765 /nfs/dbraw/zinc/67/87/65/490678765.db2.gz WQCPLWYXEPNHCA-QFBILLFUSA-N 1 1 340.471 2.441 10 10 EECEMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@H]3C(C)C)CC2)cc1 ZINC000771964990 577242088 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2.032 10 10 EECEMO CC[C@H](CNC(=O)[C@@H]1CCCCN1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567974353 1124212709 /nfs/dbraw/zinc/21/27/09/1124212709.db2.gz XMJKCPICGUHWKV-MSOLQXFVSA-N 1 1 347.503 2.472 10 10 EECEMO Oc1ccc(F)cc1CN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000180098957 464241470 /nfs/dbraw/zinc/24/14/70/464241470.db2.gz OJCACXUUCJVJKA-IBGZPJMESA-N 1 1 330.403 2.383 10 10 EECEMO CC[N@H+]1CC[C@H]2OCCN(Cc3cc(Cl)cc(OC)c3O)[C@H]2C1 ZINC000293669076 464417174 /nfs/dbraw/zinc/41/71/74/464417174.db2.gz OQXMTKYKELFORC-LSDHHAIUSA-N 1 1 340.851 2.349 10 10 EECEMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H](C)CC[C@H]1C)cc2=O ZINC000245454485 464484093 /nfs/dbraw/zinc/48/40/93/464484093.db2.gz SAWBIPMSOBYMCG-NWDGAFQWSA-N 1 1 332.404 2.232 10 10 EECEMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000294638749 464561479 /nfs/dbraw/zinc/56/14/79/464561479.db2.gz KDZJXFHNNYWWAN-DGCLKSJQSA-N 1 1 328.815 2.480 10 10 EECEMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000294638749 464561485 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C[NH+]1CCN(c2ccc(CN[C@H](CO)c3ccsc3)cc2)CC1 ZINC000769931694 577587334 /nfs/dbraw/zinc/58/73/34/577587334.db2.gz BJJHWSUJPATYTB-GOSISDBHSA-N 1 1 331.485 2.323 10 10 EECEMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](C(C)C)C3)CC2)cc1 ZINC000755996933 577835973 /nfs/dbraw/zinc/83/59/73/577835973.db2.gz RDYKIBMLLNMQBF-KRWDZBQOSA-N 1 1 345.487 2.322 10 10 EECEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000756596339 577847367 /nfs/dbraw/zinc/84/73/67/577847367.db2.gz ZFPWMNFWRDQVRV-ZDUSSCGKSA-N 1 1 341.407 2.359 10 10 EECEMO COC(=O)c1c(C[N@@H+](C)C[C@@H](O)C2CC2)c2cc(F)ccc2n1C ZINC000894776660 683083704 /nfs/dbraw/zinc/08/37/04/683083704.db2.gz JDGLGHUWXYSBGL-MRXNPFEDSA-N 1 1 334.391 2.307 10 10 EECEMO CCN(C)c1ccc(C[N@H+]2CCNC(=O)CC23CCOCC3)cc1 ZINC000872285122 1198129062 /nfs/dbraw/zinc/12/90/62/1198129062.db2.gz TZZLELHVQAGZQT-UHFFFAOYSA-N 1 1 331.460 2.014 10 10 EECEMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c1 ZINC000866441723 1201518845 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COC(=O)c1cnc(CC[NH2+]Cc2cc(F)cc(F)c2O)s1 ZINC000922832495 801996381 /nfs/dbraw/zinc/99/63/81/801996381.db2.gz QAFKDWKWSSQHIV-UHFFFAOYSA-N 1 1 328.340 2.246 10 10 EECEMO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001540567309 1124086676 /nfs/dbraw/zinc/08/66/76/1124086676.db2.gz HPDXGITXHHIMHG-RTBURBONSA-N 1 1 345.487 2.090 10 10 EECEMO CC[C@@H](CNC(=O)[C@@H]1CCCN1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567951957 1124201774 /nfs/dbraw/zinc/20/17/74/1124201774.db2.gz DKXCYIRVWWPEOK-IRXDYDNUSA-N 1 1 333.476 2.082 10 10 EECEMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091856006 462910893 /nfs/dbraw/zinc/91/08/93/462910893.db2.gz NZIOENMMUXNXIY-ZWKOTPCHSA-N 1 1 334.485 2.230 10 10 EECEMO Oc1ccc(F)cc1CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000180098943 464241234 /nfs/dbraw/zinc/24/12/34/464241234.db2.gz OJCACXUUCJVJKA-LJQANCHMSA-N 1 1 330.403 2.383 10 10 EECEMO COc1ccc(N2CCC[N@H+](CCCCS(C)(=O)=O)CC2)cc1 ZINC000759692471 577647957 /nfs/dbraw/zinc/64/79/57/577647957.db2.gz 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CN(C)c1ccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c(C(F)(F)F)c1 ZINC000280352784 464199546 /nfs/dbraw/zinc/19/95/46/464199546.db2.gz TZEKFJMMWZHFHA-NSHDSACASA-N 1 1 330.354 2.014 10 10 EECEMO CN(C)c1ccc(C[N@H+]2CC[C@H](NC(N)=O)C2)c(C(F)(F)F)c1 ZINC000280352784 464199553 /nfs/dbraw/zinc/19/95/53/464199553.db2.gz TZEKFJMMWZHFHA-NSHDSACASA-N 1 1 330.354 2.014 10 10 EECEMO COc1ccc(O)c(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000180074651 464236207 /nfs/dbraw/zinc/23/62/07/464236207.db2.gz WYMOODWFQCGIBB-QGZVFWFLSA-N 1 1 333.476 2.003 10 10 EECEMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(O)c2O)[C@H]1c1ccc(F)cc1 ZINC000365790381 466939589 /nfs/dbraw/zinc/93/95/89/466939589.db2.gz SRIQLRWBIBFZOB-GDBMZVCRSA-N 1 1 330.359 2.412 10 10 EECEMO CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC000577494805 468185710 /nfs/dbraw/zinc/18/57/10/468185710.db2.gz CEFKNSQFUSNFAK-UHFFFAOYSA-N 1 1 326.400 2.253 10 10 EECEMO CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000769326423 577575130 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CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000853780629 1292450933 /nfs/dbraw/zinc/45/09/33/1292450933.db2.gz CCBYGXMXEWBJIT-RDJZCZTQSA-N 1 1 346.475 2.057 10 10 EECEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000858540656 1294148739 /nfs/dbraw/zinc/14/87/39/1294148739.db2.gz KWPGWAINHRLQTB-CYBMUJFWSA-N 1 1 348.443 2.478 10 10 EECEMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1c(O)cccc1Br ZINC000862387364 1295820654 /nfs/dbraw/zinc/82/06/54/1295820654.db2.gz KPPMGDYYCKYLPG-GWCFXTLKSA-N 1 1 330.222 2.126 10 10 EECEMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000842640621 1315742211 /nfs/dbraw/zinc/74/22/11/1315742211.db2.gz ARYQBLYSTXJBRN-MRXNPFEDSA-N 1 1 342.361 2.381 10 10 EECEMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327953105 1334369368 /nfs/dbraw/zinc/36/93/68/1334369368.db2.gz UFXNDVAMIOQCIM-WMZOPIPTSA-N 1 1 335.467 2.170 10 10 EECEMO C[NH+]1CCN(c2ccc(CN3CCO[C@@H](CCF)C3)cc2F)CC1 ZINC001351629339 1337832350 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C[C@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1ccccc1O ZINC000788610961 807584362 /nfs/dbraw/zinc/58/43/62/807584362.db2.gz UPBIVPNVMQPLHC-ZDUSSCGKSA-N 1 1 325.412 2.409 10 10 EECEMO C[C@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1ccccc1O ZINC000788610961 807584366 /nfs/dbraw/zinc/58/43/66/807584366.db2.gz UPBIVPNVMQPLHC-ZDUSSCGKSA-N 1 1 325.412 2.409 10 10 EECEMO C[NH+](C)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccco1 ZINC001440560134 1093828747 /nfs/dbraw/zinc/82/87/47/1093828747.db2.gz URPGRGNOQNOUOA-ZDUSSCGKSA-N 1 1 329.360 2.475 10 10 EECEMO O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001464109764 1110387781 /nfs/dbraw/zinc/38/77/81/1110387781.db2.gz ZTMUFTNAZCZWKD-QGZVFWFLSA-N 1 1 340.423 2.421 10 10 EECEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155709142 462932319 /nfs/dbraw/zinc/93/23/19/462932319.db2.gz WQCPLWYXEPNHCA-VQIMIIECSA-N 1 1 340.471 2.441 10 10 EECEMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCCC[C@H]1C)cc2=O ZINC000734001262 577269737 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EECEMO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001294756368 1329137966 /nfs/dbraw/zinc/13/79/66/1329137966.db2.gz VPJIWYVDPWYMIJ-QGZVFWFLSA-N 1 1 345.487 2.466 10 10 EECEMO C[C@H](NC(=O)CC[N@H+]1CC[C@H](F)C1)c1ccc(N2CCOCC2)cc1 ZINC001597915653 1349933371 /nfs/dbraw/zinc/93/33/71/1349933371.db2.gz RXKDIRLBGQWVSF-RDJZCZTQSA-N 1 1 349.450 2.134 10 10 EECEMO COC(=O)/C=C\c1ccc(N(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000588491453 760192452 /nfs/dbraw/zinc/19/24/52/760192452.db2.gz LYPNSGPDADKTBH-UITAMQMPSA-N 1 1 333.388 2.311 10 10 EECEMO CN(C)c1cc(F)c(CNC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1F ZINC000922955128 788432502 /nfs/dbraw/zinc/43/25/02/788432502.db2.gz XRCHULFQDABGHN-HNNXBMFYSA-N 1 1 339.430 2.374 10 10 EECEMO CN(C)c1cc(F)c(CNC[C@@H]2CC[N@H+]2C2CCOCC2)cc1F ZINC000922955128 788432504 /nfs/dbraw/zinc/43/25/04/788432504.db2.gz XRCHULFQDABGHN-HNNXBMFYSA-N 1 1 339.430 2.374 10 10 EECEMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000054468687 214239681 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EECEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2N(C)C)c1 ZINC000756413162 577843686 /nfs/dbraw/zinc/84/36/86/577843686.db2.gz XYMJMNURIJXSPG-LBPRGKRZSA-N 1 1 329.400 2.491 10 10 EECEMO CN(C)c1[nH+]cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1C ZINC000896333381 684942171 /nfs/dbraw/zinc/94/21/71/684942171.db2.gz GYMZCDPGPOXVOP-UHFFFAOYSA-N 1 1 346.412 2.042 10 10 EECEMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)CC[C@@H]21 ZINC000899177361 693647886 /nfs/dbraw/zinc/64/78/86/693647886.db2.gz BBOGNGGUYXKJED-PWSUYJOCSA-N 1 1 332.425 2.479 10 10 EECEMO CC[C@@H]1C[N@@H+](C)CCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000814938235 1199802560 /nfs/dbraw/zinc/80/25/60/1199802560.db2.gz HNLFDBXFATZOML-IZPAUZPXSA-N 1 1 333.388 2.311 10 10 EECEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1ccc(Br)cc1O ZINC000826131679 1201307088 /nfs/dbraw/zinc/30/70/88/1201307088.db2.gz XGEXTXJKZPYSJP-VXGBXAGGSA-N 1 1 343.265 2.042 10 10 EECEMO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C(N)=O)CC[C@H]3C)cc2)CC1 ZINC000827680404 1248637710 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CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c1O ZINC000903027165 1239372404 /nfs/dbraw/zinc/37/24/04/1239372404.db2.gz OMJVRVYUQNVWGY-AWEZNQCLSA-N 1 1 330.363 2.210 10 10 EECEMO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000827099193 1249896244 /nfs/dbraw/zinc/89/62/44/1249896244.db2.gz QEQPQJWQBJFSJL-FZKQIMNGSA-N 1 1 337.391 2.321 10 10 EECEMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000859544116 1294478336 /nfs/dbraw/zinc/47/83/36/1294478336.db2.gz QUKRGKUEDKZNRK-SJORKVTESA-N 1 1 333.501 2.339 10 10 EECEMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000862551832 1295879668 /nfs/dbraw/zinc/87/96/68/1295879668.db2.gz QDNZQXNWEADNCY-LBPRGKRZSA-N 1 1 346.880 2.115 10 10 EECEMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840941261 1315441905 /nfs/dbraw/zinc/44/19/05/1315441905.db2.gz VARWMDDXRPBGSC-UONOGXRCSA-N 1 1 343.851 2.200 10 10 EECEMO [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841088028 1315471612 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2.029 10 10 EECEMO COc1cccc(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000366536670 465788469 /nfs/dbraw/zinc/78/84/69/465788469.db2.gz SQTIPZGNYAZMRG-AWEZNQCLSA-N 1 1 327.446 2.190 10 10 EECEMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)C[C@@]2(CCOC2)O1 ZINC000373477755 466816640 /nfs/dbraw/zinc/81/66/40/466816640.db2.gz BLGQVKKKEWBQIB-RDTXWAMCSA-N 1 1 337.416 2.179 10 10 EECEMO CCOc1cccc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1O ZINC000377721313 467126645 /nfs/dbraw/zinc/12/66/45/467126645.db2.gz MICSRKZGIWDNSZ-ZDUSSCGKSA-N 1 1 328.416 2.543 10 10 EECEMO CN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732456328 577181243 /nfs/dbraw/zinc/18/12/43/577181243.db2.gz HDIWNYNYTFHLED-GOSISDBHSA-N 1 1 342.487 2.447 10 10 EECEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773306994 577331984 /nfs/dbraw/zinc/33/19/84/577331984.db2.gz NBXNRWIIXHPTNQ-CRAIPNDOSA-N 1 1 348.491 2.224 10 10 EECEMO Cc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775258527 577433861 /nfs/dbraw/zinc/43/38/61/577433861.db2.gz DCGUQQQKZXKXIT-AWEZNQCLSA-N 1 1 328.416 2.178 10 10 EECEMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(OCC)cc1O ZINC000776014479 577450539 /nfs/dbraw/zinc/45/05/39/577450539.db2.gz RYFIPCBPJRPIPR-HOCLYGCPSA-N 1 1 337.416 2.333 10 10 EECEMO CCOc1ccc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(O)c1 ZINC000769342386 577575508 /nfs/dbraw/zinc/57/55/08/577575508.db2.gz LZMQYBAZQSPPGB-GOSISDBHSA-N 1 1 347.503 2.393 10 10 EECEMO COC(=O)c1c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c2cc(F)ccc2n1C ZINC000894597409 682990507 /nfs/dbraw/zinc/99/05/07/682990507.db2.gz ZAXIZMKAUURFIZ-OAHLLOKOSA-N 1 1 334.391 2.307 10 10 EECEMO COC(=O)c1c(C[N@H+]2C[C@@H](O)C(C)(C)C2)c2cc(F)ccc2n1C ZINC000894597409 682990509 /nfs/dbraw/zinc/99/05/09/682990509.db2.gz ZAXIZMKAUURFIZ-OAHLLOKOSA-N 1 1 334.391 2.307 10 10 EECEMO Cc1cc([O-])c(C[NH2+]CCN2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000840903282 684620336 /nfs/dbraw/zinc/62/03/36/684620336.db2.gz ZTJKZXBGEUZTHX-UHFFFAOYSA-N 1 1 325.884 2.470 10 10 EECEMO COCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485078529 1191646486 /nfs/dbraw/zinc/64/64/86/1191646486.db2.gz GTHTYBPOUFKJNQ-OAHLLOKOSA-N 1 1 347.419 2.032 10 10 EECEMO CC(=O)c1cc(Cl)cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c1O ZINC000796577409 1221421456 /nfs/dbraw/zinc/42/14/56/1221421456.db2.gz FZQDUDNTLXWJPC-XHDPSFHLSA-N 1 1 327.808 2.220 10 10 EECEMO O=C(NCc1ccccc1O)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001137471644 1248668389 /nfs/dbraw/zinc/66/83/89/1248668389.db2.gz UXDUTPIFJKMWAP-HXUWFJFHSA-N 1 1 340.423 2.036 10 10 EECEMO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000856595106 1293576357 /nfs/dbraw/zinc/57/63/57/1293576357.db2.gz OASWTFOMWUZONZ-KRWDZBQOSA-N 1 1 335.379 2.046 10 10 EECEMO CN(C)c1cc(F)c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1F ZINC000862417379 1295840743 /nfs/dbraw/zinc/84/07/43/1295840743.db2.gz AYRMWRLISFBHQK-HNNXBMFYSA-N 1 1 339.430 2.062 10 10 EECEMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000862545269 1295875261 /nfs/dbraw/zinc/87/52/61/1295875261.db2.gz MZMNBUNUHDLXGI-WCQYABFASA-N 1 1 327.743 2.496 10 10 EECEMO CCc1cc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000863325053 1296221643 /nfs/dbraw/zinc/22/16/43/1296221643.db2.gz RFPRVTRNRFJJKE-HNNXBMFYSA-N 1 1 334.460 2.328 10 10 EECEMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCOCC23CCCCC3)cc1 ZINC000839618603 1315221639 /nfs/dbraw/zinc/22/16/39/1315221639.db2.gz YQTOORCDHLEOAP-UHFFFAOYSA-N 1 1 345.487 2.404 10 10 EECEMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCOCC23CCCCC3)cc1 ZINC000839618603 1315221644 /nfs/dbraw/zinc/22/16/44/1315221644.db2.gz YQTOORCDHLEOAP-UHFFFAOYSA-N 1 1 345.487 2.404 10 10 EECEMO CC(C)OCC[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001265319967 1323069477 /nfs/dbraw/zinc/06/94/77/1323069477.db2.gz VNERQKVZTCBCJB-HNNXBMFYSA-N 1 1 347.419 2.078 10 10 EECEMO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(Cl)c(Cl)cc1O ZINC000818361575 785256440 /nfs/dbraw/zinc/25/64/40/785256440.db2.gz LPIJMDMDTNUJBW-WRWORJQWSA-N 1 1 331.199 2.497 10 10 EECEMO COc1c(O)c(C[NH2+]CC2(CF)CCOCC2)ccc1[N+](=O)[O-] ZINC000824794680 788321385 /nfs/dbraw/zinc/32/13/85/788321385.db2.gz GMCPJDPLQXAFSS-UHFFFAOYSA-N 1 1 328.340 2.165 10 10 EECEMO COc1c([O-])c(C[NH2+]CCC[N@@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000845996517 790028947 /nfs/dbraw/zinc/02/89/47/790028947.db2.gz PWFVPEKSDVQPBG-UHFFFAOYSA-N 1 1 325.409 2.377 10 10 EECEMO COc1c([O-])c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000278521333 463969608 /nfs/dbraw/zinc/96/96/08/463969608.db2.gz SDSIFQYMNWMNCS-AGUYFDCRSA-N 1 1 335.404 2.414 10 10 EECEMO CN(C)c1ccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c(C(F)(F)F)c1 ZINC000280352779 464198864 /nfs/dbraw/zinc/19/88/64/464198864.db2.gz TZEKFJMMWZHFHA-LLVKDONJSA-N 1 1 330.354 2.014 10 10 EECEMO CN(C)c1ccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c(C(F)(F)F)c1 ZINC000280352779 464198869 /nfs/dbraw/zinc/19/88/69/464198869.db2.gz TZEKFJMMWZHFHA-LLVKDONJSA-N 1 1 330.354 2.014 10 10 EECEMO Cc1nn(C)c(C)c1CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180107223 464243776 /nfs/dbraw/zinc/24/37/76/464243776.db2.gz YPXSCZBBKBTVPG-UHFFFAOYSA-N 1 1 332.423 2.199 10 10 EECEMO Oc1cc(F)c(Cl)cc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000294238432 464440571 /nfs/dbraw/zinc/44/05/71/464440571.db2.gz MSPYRHYBIQGBQM-GFCCVEGCSA-N 1 1 328.815 2.339 10 10 EECEMO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(O)c1O ZINC000246437536 464585218 /nfs/dbraw/zinc/58/52/18/464585218.db2.gz LRRUECFDSARTAB-SOUVJXGZSA-N 1 1 348.443 2.120 10 10 EECEMO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000769429315 577577835 /nfs/dbraw/zinc/57/78/35/577577835.db2.gz XSFYOBIAKQRGJZ-QGZVFWFLSA-N 1 1 346.452 2.312 10 10 EECEMO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000924747929 693575971 /nfs/dbraw/zinc/57/59/71/693575971.db2.gz AXJLHBNIQZUANS-CQSZACIVSA-N 1 1 329.448 2.294 10 10 EECEMO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc(C3CC3)[nH]n2)cc1C ZINC001266843425 1177527161 /nfs/dbraw/zinc/52/71/61/1177527161.db2.gz QMSPKZPVCPOZSE-UHFFFAOYSA-N 1 1 342.443 2.466 10 10 EECEMO C/C=C/[C@H](O)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000901127971 1235256908 /nfs/dbraw/zinc/25/69/08/1235256908.db2.gz RENCQRQQXJSRQQ-FKFXUJFPSA-N 1 1 338.835 2.063 10 10 EECEMO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000852064039 1291978254 /nfs/dbraw/zinc/97/82/54/1291978254.db2.gz IRDPPJJUEUEYDG-OAHLLOKOSA-N 1 1 346.475 2.057 10 10 EECEMO CCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000853775739 1292447512 /nfs/dbraw/zinc/44/75/12/1292447512.db2.gz AJAABXOCGSNUEL-SFHVURJKSA-N 1 1 328.460 2.298 10 10 EECEMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000840269588 1315341099 /nfs/dbraw/zinc/34/10/99/1315341099.db2.gz YMONEHZPXRGFJK-DOTOQJQBSA-N 1 1 332.492 2.385 10 10 EECEMO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c2ncnn21 ZINC001262201077 1322254257 /nfs/dbraw/zinc/25/42/57/1322254257.db2.gz NHGPVDDXJMGIBJ-GUYCJALGSA-N 1 1 327.432 2.035 10 10 EECEMO COc1ccc(N2CCC(NC(=O)CC[N@H+]3CC[C@@H](F)C3)CC2)cc1 ZINC001626479165 1352464421 /nfs/dbraw/zinc/46/44/21/1352464421.db2.gz DGMNJHXOGGGBDT-OAHLLOKOSA-N 1 1 349.450 2.214 10 10 EECEMO COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccccc3O)n2)ncn1 ZINC001655349268 1354171100 /nfs/dbraw/zinc/17/11/00/1354171100.db2.gz FXSRMNHQWJWGSV-JTQLQIEISA-N 1 1 327.344 2.092 10 10 EECEMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001655877155 1354188239 /nfs/dbraw/zinc/18/82/39/1354188239.db2.gz GNNXEFDPWUJBMU-MOPGFXCFSA-N 1 1 345.487 2.402 10 10 EECEMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000817415347 784767573 /nfs/dbraw/zinc/76/75/73/784767573.db2.gz RLCSQKQEICQNBH-HNNXBMFYSA-N 1 1 346.431 2.153 10 10 EECEMO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cccc(Br)c1O ZINC000825130389 788450446 /nfs/dbraw/zinc/45/04/46/788450446.db2.gz XDVBQTQIDXJZNA-ZWNOBZJWSA-N 1 1 330.222 2.126 10 10 EECEMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cccc(Br)c1O ZINC000825130389 788450450 /nfs/dbraw/zinc/45/04/50/788450450.db2.gz XDVBQTQIDXJZNA-ZWNOBZJWSA-N 1 1 330.222 2.126 10 10 EECEMO COc1ccc(N(C)CC[N@@H+](C)[C@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000844402919 789069921 /nfs/dbraw/zinc/06/99/21/789069921.db2.gz WSPYCNJOWBORIF-KRWDZBQOSA-N 1 1 333.476 2.463 10 10 EECEMO COc1ccc(N(C)CC[N@H+](C)CN2C[C@H]3CCC[C@H]3C2=O)cc1 ZINC000844725507 789329089 /nfs/dbraw/zinc/32/90/89/789329089.db2.gz LCJAJMSGLGMELV-CRAIPNDOSA-N 1 1 331.460 2.279 10 10 EECEMO COc1ccc(N(C)CC[N@@H+](C)CN2C[C@H]3CCC[C@H]3C2=O)cc1 ZINC000844725507 789329098 /nfs/dbraw/zinc/32/90/98/789329098.db2.gz LCJAJMSGLGMELV-CRAIPNDOSA-N 1 1 331.460 2.279 10 10 EECEMO COc1c(O)c(C[NH2+][C@H]2CNc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000844905765 789445319 /nfs/dbraw/zinc/44/53/19/789445319.db2.gz NNUNOZKPGGTPPU-CYBMUJFWSA-N 1 1 329.356 2.435 10 10 EECEMO CCOc1cccc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1O ZINC000093147334 237049363 /nfs/dbraw/zinc/04/93/63/237049363.db2.gz MJUMUUNQTQFVKX-GOSISDBHSA-N 1 1 347.503 2.393 10 10 EECEMO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCCC1 ZINC000279750296 464141388 /nfs/dbraw/zinc/14/13/88/464141388.db2.gz YNKOAZTXJROSEK-UHFFFAOYSA-N 1 1 338.360 2.275 10 10 EECEMO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1ccccc1O)C2 ZINC000179949150 464213657 /nfs/dbraw/zinc/21/36/57/464213657.db2.gz KWCPVHMZCDHRLB-UHFFFAOYSA-N 1 1 332.425 2.322 10 10 EECEMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1O ZINC000248863655 464812548 /nfs/dbraw/zinc/81/25/48/464812548.db2.gz HCMQCCPVWMIDJP-IUODEOHRSA-N 1 1 340.851 2.207 10 10 EECEMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@@H]3C(C)C)CC2)cc1 ZINC000771964989 577242051 /nfs/dbraw/zinc/24/20/51/577242051.db2.gz BPPQXNYUTLECLC-MOPGFXCFSA-N 1 1 345.487 2.226 10 10 EECEMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000774688907 577411260 /nfs/dbraw/zinc/41/12/60/577411260.db2.gz LBWMFTXKBKRXGH-HUUCEWRRSA-N 1 1 337.416 2.252 10 10 EECEMO COc1ccc(O)c(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 ZINC000775718787 577443708 /nfs/dbraw/zinc/44/37/08/577443708.db2.gz OXBIAHLZWVUNBW-QGZVFWFLSA-N 1 1 348.443 2.004 10 10 EECEMO COc1ccc(O)c(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 ZINC000775718787 577443709 /nfs/dbraw/zinc/44/37/09/577443709.db2.gz OXBIAHLZWVUNBW-QGZVFWFLSA-N 1 1 348.443 2.004 10 10 EECEMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccs3)C1)[C@@H](O)CO2 ZINC000768464745 577556392 /nfs/dbraw/zinc/55/63/92/577556392.db2.gz TVFAGVNYCCMCEN-HOCLYGCPSA-N 1 1 333.409 2.453 10 10 EECEMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccs3)C1)[C@@H](O)CO2 ZINC000768464745 577556393 /nfs/dbraw/zinc/55/63/93/577556393.db2.gz TVFAGVNYCCMCEN-HOCLYGCPSA-N 1 1 333.409 2.453 10 10 EECEMO CCOc1ccc(O)c(C[N@@H+]2CCc3nc(COC)ncc3C2)c1 ZINC000895414770 684592989 /nfs/dbraw/zinc/59/29/89/684592989.db2.gz IRODTCSNROTKQI-UHFFFAOYSA-N 1 1 329.400 2.286 10 10 EECEMO CCOc1ccc(O)c(C[N@H+]2CCc3nc(COC)ncc3C2)c1 ZINC000895414770 684592990 /nfs/dbraw/zinc/59/29/90/684592990.db2.gz IRODTCSNROTKQI-UHFFFAOYSA-N 1 1 329.400 2.286 10 10 EECEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1 ZINC000866530666 1201542397 /nfs/dbraw/zinc/54/23/97/1201542397.db2.gz BCKJFXPHRPHKEA-ZFWWWQNUSA-N 1 1 349.427 2.415 10 10 EECEMO C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000868750882 1201871656 /nfs/dbraw/zinc/87/16/56/1201871656.db2.gz XSZAFILWBBFTAN-KBXIAJHMSA-N 1 1 335.448 2.250 10 10 EECEMO C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000868750882 1201871658 /nfs/dbraw/zinc/87/16/58/1201871658.db2.gz XSZAFILWBBFTAN-KBXIAJHMSA-N 1 1 335.448 2.250 10 10 EECEMO C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC[N@H+]1C ZINC000925314213 1206095199 /nfs/dbraw/zinc/09/51/99/1206095199.db2.gz RUEYSYBHSWYWGE-PVAVHDDUSA-N 1 1 347.459 2.175 10 10 EECEMO CC(=O)c1cc(F)cc(CN2CC[NH+](CCCCCO)CC2)c1O ZINC000931497227 1207398244 /nfs/dbraw/zinc/39/82/44/1207398244.db2.gz KXGXVODYPRSTAK-UHFFFAOYSA-N 1 1 338.423 2.014 10 10 EECEMO COC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)C1CCOCC1 ZINC000850494205 1277245819 /nfs/dbraw/zinc/24/58/19/1277245819.db2.gz OSYFVHOTEOTLAG-LRDDRELGSA-N 1 1 337.416 2.271 10 10 EECEMO CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296650 1292707474 /nfs/dbraw/zinc/70/74/74/1292707474.db2.gz FOLJVLICEVPKRO-HOTGVXAUSA-N 1 1 346.475 2.010 10 10 EECEMO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000856594603 1293577156 /nfs/dbraw/zinc/57/71/56/1293577156.db2.gz WETLWDYEUNDQCX-IBGZPJMESA-N 1 1 344.459 2.268 10 10 EECEMO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(F)cc1O ZINC000858564988 1294155803 /nfs/dbraw/zinc/15/58/03/1294155803.db2.gz FGAOBMQZNUCXCP-RHSMWYFYSA-N 1 1 345.418 2.478 10 10 EECEMO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000862488124 1295857131 /nfs/dbraw/zinc/85/71/31/1295857131.db2.gz BQSHLMWMRBWTEB-GOSISDBHSA-N 1 1 343.471 2.180 10 10 EECEMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cccc(Br)c1[O-] ZINC000841891607 1315631352 /nfs/dbraw/zinc/63/13/52/1315631352.db2.gz MOQPFNVILMTNQE-NWDGAFQWSA-N 1 1 343.265 2.042 10 10 EECEMO 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CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[N@H+]1C ZINC000864932105 1198004124 /nfs/dbraw/zinc/00/41/24/1198004124.db2.gz SJSGPDDNUHGAFW-DOTOQJQBSA-N 1 1 349.450 2.009 10 10 EECEMO COc1cc(Br)cc(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1O ZINC000814173615 1199326386 /nfs/dbraw/zinc/32/63/86/1199326386.db2.gz NMNZYQFJWHEFLW-MFKMUULPSA-N 1 1 341.249 2.299 10 10 EECEMO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)no1 ZINC001275046292 1205243434 /nfs/dbraw/zinc/24/34/34/1205243434.db2.gz QHLYYSYECRLKRT-SNVBAGLBSA-N 1 1 344.375 2.054 10 10 EECEMO Oc1cc(F)c(Cl)cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827699132 1248654500 /nfs/dbraw/zinc/65/45/00/1248654500.db2.gz FRLOJDLLOBMYTA-CYBMUJFWSA-N 1 1 328.815 2.216 10 10 EECEMO Oc1cc(F)c(Cl)cc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000827699132 1248654514 /nfs/dbraw/zinc/65/45/14/1248654514.db2.gz FRLOJDLLOBMYTA-CYBMUJFWSA-N 1 1 328.815 2.216 10 10 EECEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]2(OC)CCSC2)c1 ZINC000903315239 1240233515 /nfs/dbraw/zinc/23/35/15/1240233515.db2.gz VCDBKRSGGYOSKI-MEDUHNTESA-N 1 1 325.430 2.352 10 10 EECEMO Cc1cc(CNC(=O)Cc2ccc(O)c(O)c2)cc(N2CCCC2)[nH+]1 ZINC001160588860 1320206711 /nfs/dbraw/zinc/20/67/11/1320206711.db2.gz UEWBJPIKONQKIO-UHFFFAOYSA-N 1 1 341.411 2.260 10 10 EECEMO CCNC(=O)C1C[NH+](Cc2cc(Br)cc(C)c2O)C1 ZINC000839139538 781395713 /nfs/dbraw/zinc/39/57/13/781395713.db2.gz VQNMCBGVMMTWSB-UHFFFAOYSA-N 1 1 327.222 2.031 10 10 EECEMO CC[N@@H+]1CC[C@H]2OCCN(Cc3c(O)ccc(Cl)c3F)[C@H]2C1 ZINC000816639327 784161983 /nfs/dbraw/zinc/16/19/83/784161983.db2.gz OIKMMFQYGFURGI-DZGCQCFKSA-N 1 1 328.815 2.480 10 10 EECEMO CC[N@H+]1CC[C@H]2OCCN(Cc3c(O)ccc(Cl)c3F)[C@H]2C1 ZINC000816639327 784161987 /nfs/dbraw/zinc/16/19/87/784161987.db2.gz OIKMMFQYGFURGI-DZGCQCFKSA-N 1 1 328.815 2.480 10 10 EECEMO COC(=O)/C=C/c1ccc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000819952775 785737594 /nfs/dbraw/zinc/73/75/94/785737594.db2.gz GAUAHMYJCLCQKS-KLYJYZACSA-N 1 1 345.399 2.311 10 10 EECEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Br)cc1O ZINC000824575880 788221766 /nfs/dbraw/zinc/22/17/66/788221766.db2.gz STOXDRSUNLKNAK-MWLCHTKSSA-N 1 1 327.222 2.241 10 10 EECEMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C)cc2=O ZINC000789450776 808015344 /nfs/dbraw/zinc/01/53/44/808015344.db2.gz HFDKRWVFMSSLGG-FRRDWIJNSA-N 1 1 346.431 2.478 10 10 EECEMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H](O)[C@@H]2CCCO2)c1 ZINC000527756704 317257584 /nfs/dbraw/zinc/25/75/84/317257584.db2.gz FXVLPAMEXMKPRS-STQMWFEESA-N 1 1 330.222 2.093 10 10 EECEMO COc1ccc(N2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)cc1F ZINC000189535940 464527859 /nfs/dbraw/zinc/52/78/59/464527859.db2.gz URGJFYDQIWBGTF-LBPRGKRZSA-N 1 1 336.329 2.270 10 10 EECEMO COCCOC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCOCC1 ZINC000294794059 464606068 /nfs/dbraw/zinc/60/60/68/464606068.db2.gz MEVGLKWYXCKEFQ-UHFFFAOYSA-N 1 1 347.814 2.487 10 10 EECEMO CC[C@H]1CCN1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000291686652 529241337 /nfs/dbraw/zinc/24/13/37/529241337.db2.gz FQVJRBXVIBHOHS-INIZCTEOSA-N 1 1 346.475 2.011 10 10 EECEMO COC(=O)c1c(C[N@@H+](C[C@@H](C)O)C2CC2)c2cc(F)ccc2n1C ZINC000895192147 684267445 /nfs/dbraw/zinc/26/74/45/684267445.db2.gz CCLZMDXSDIIMMS-LLVKDONJSA-N 1 1 334.391 2.449 10 10 EECEMO COCCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481754232 1182554785 /nfs/dbraw/zinc/55/47/85/1182554785.db2.gz KUHSHOVISLZQBP-HNNXBMFYSA-N 1 1 347.419 2.032 10 10 EECEMO CN(C)c1ccc(C=CC[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)cc1 ZINC000865866648 1198407480 /nfs/dbraw/zinc/40/74/80/1198407480.db2.gz OJCMQMMTCLQWGT-ONEGZZNKSA-N 1 1 340.427 2.124 10 10 EECEMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000092510163 1214561902 /nfs/dbraw/zinc/56/19/02/1214561902.db2.gz JNUFREPIDMCVJY-IBGZPJMESA-N 1 1 345.487 2.356 10 10 EECEMO CO[C@@]1(CO)CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000826952897 1248224212 /nfs/dbraw/zinc/22/42/12/1248224212.db2.gz WOXMERKJBHAJOP-HNNXBMFYSA-N 1 1 344.249 2.436 10 10 EECEMO CO[C@@]1(CO)CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000826952897 1248224221 /nfs/dbraw/zinc/22/42/21/1248224221.db2.gz WOXMERKJBHAJOP-HNNXBMFYSA-N 1 1 344.249 2.436 10 10 EECEMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000862551479 1295878025 /nfs/dbraw/zinc/87/80/25/1295878025.db2.gz NJRNEWREJAUAEI-AWEZNQCLSA-N 1 1 348.468 2.307 10 10 EECEMO C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C(=O)[O-] ZINC001332338628 1335805289 /nfs/dbraw/zinc/80/52/89/1335805289.db2.gz GZWAZRNIFACETD-GOEBONIOSA-N 1 1 349.450 2.120 10 10 EECEMO C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C(=O)[O-] ZINC001332338628 1335805292 /nfs/dbraw/zinc/80/52/92/1335805292.db2.gz GZWAZRNIFACETD-GOEBONIOSA-N 1 1 349.450 2.120 10 10 EECEMO O=C(NCc1c(O)cccc1O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001647270656 1353213389 /nfs/dbraw/zinc/21/33/89/1353213389.db2.gz VZVBTNFUDLCRFQ-OAHLLOKOSA-N 1 1 341.411 2.021 10 10 EECEMO COc1c(O)c(C[NH2+]Cc2ccc(CO)c(F)c2)ccc1[N+](=O)[O-] ZINC000278880638 464005425 /nfs/dbraw/zinc/00/54/25/464005425.db2.gz ODTKDMBJGMQOKM-UHFFFAOYSA-N 1 1 336.319 2.230 10 10 EECEMO C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1(C)C ZINC000294718486 464584489 /nfs/dbraw/zinc/58/44/89/464584489.db2.gz PGKXIYROMLGRFY-UHFFFAOYSA-N 1 1 329.847 2.300 10 10 EECEMO CN(CC[C@H]1CCCC[N@H+]1C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301704004 466014670 /nfs/dbraw/zinc/01/46/70/466014670.db2.gz UXCDIUIFRUIIDJ-GFCCVEGCSA-N 1 1 348.403 2.236 10 10 EECEMO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933688917 676831418 /nfs/dbraw/zinc/83/14/18/676831418.db2.gz NDWNCDOSQCUPLI-PMACEKPBSA-N 1 1 346.471 2.293 10 10 EECEMO COc1ccc(N2CCCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)CC2)cc1 ZINC000895809909 684727792 /nfs/dbraw/zinc/72/77/92/684727792.db2.gz UPQBYHBFWMCRGJ-FQEVSTJZSA-N 1 1 343.471 2.220 10 10 EECEMO COCC[N@@H+](Cc1ccc(Br)cc1O)[C@H]1CCOC1 ZINC000825725820 1198883905 /nfs/dbraw/zinc/88/39/05/1198883905.db2.gz ATQVWEYOXRQWMD-ZDUSSCGKSA-N 1 1 330.222 2.392 10 10 EECEMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc(Br)cc1O ZINC000826096992 1200884385 /nfs/dbraw/zinc/88/43/85/1200884385.db2.gz LCQDOYNXNRBRMV-GWCFXTLKSA-N 1 1 330.222 2.126 10 10 EECEMO CC(=O)c1cc(Cl)cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c1O ZINC000796577407 1221421420 /nfs/dbraw/zinc/42/14/20/1221421420.db2.gz FZQDUDNTLXWJPC-IAQYHMDHSA-N 1 1 327.808 2.220 10 10 EECEMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@](C)(C(F)F)O1 ZINC000853630700 1292427566 /nfs/dbraw/zinc/42/75/66/1292427566.db2.gz HOGRWZCJLQYCKB-FMGDLQRFSA-N 1 1 329.343 2.063 10 10 EECEMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@](C)(C(F)F)O1 ZINC000853630700 1292427571 /nfs/dbraw/zinc/42/75/71/1292427571.db2.gz HOGRWZCJLQYCKB-FMGDLQRFSA-N 1 1 329.343 2.063 10 10 EECEMO C[C@@H]1CC[N@@H+](CCNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC001256032042 1318611523 /nfs/dbraw/zinc/61/15/23/1318611523.db2.gz LGJUGLNTQHMTJQ-CQSZACIVSA-N 1 1 331.460 2.412 10 10 EECEMO CC(C)[N@H+]1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC001292065544 1328359286 /nfs/dbraw/zinc/35/92/86/1328359286.db2.gz IRLCLGUGQJRZER-SFHVURJKSA-N 1 1 345.487 2.260 10 10 EECEMO CNC(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000817414912 784768083 /nfs/dbraw/zinc/76/80/83/784768083.db2.gz LUYCUNNZBCZEPU-JTQLQIEISA-N 1 1 327.222 2.031 10 10 EECEMO CNC(=O)[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000817414912 784768095 /nfs/dbraw/zinc/76/80/95/784768095.db2.gz LUYCUNNZBCZEPU-JTQLQIEISA-N 1 1 327.222 2.031 10 10 EECEMO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC000819587646 785597886 /nfs/dbraw/zinc/59/78/86/785597886.db2.gz GDQORALYAUKAPB-BBWFWOEESA-N 1 1 345.487 2.368 10 10 EECEMO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C[NH+](C)C)o1 ZINC001136972185 788388128 /nfs/dbraw/zinc/38/81/28/788388128.db2.gz CWEKTFLQZJPSFP-UHFFFAOYSA-N 1 1 329.400 2.446 10 10 EECEMO C[C@H]1C[N@@H+](CCO)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825337924 788578313 /nfs/dbraw/zinc/57/83/13/788578313.db2.gz IZHDGBFKHYUKSP-ZDUSSCGKSA-N 1 1 345.409 2.270 10 10 EECEMO Cc1cc(Br)c(O)c(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1 ZINC000788535307 807583667 /nfs/dbraw/zinc/58/36/67/807583667.db2.gz LULOFLDLJUWQGZ-IINYFYTJSA-N 1 1 330.222 2.093 10 10 EECEMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000793365510 810286032 /nfs/dbraw/zinc/28/60/32/810286032.db2.gz LZURYABNXSFXOW-UHFFFAOYSA-N 1 1 330.428 2.419 10 10 EECEMO CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]Cc1ccon1 ZINC001495119844 1100778238 /nfs/dbraw/zinc/77/82/38/1100778238.db2.gz YCRLHJYEZLHRAI-LBPRGKRZSA-N 1 1 344.375 2.135 10 10 EECEMO O=S(=O)([C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1)N1CCCC1 ZINC000180756163 464387853 /nfs/dbraw/zinc/38/78/53/464387853.db2.gz IXMWPLCZSCYBOE-ZDUSSCGKSA-N 1 1 344.864 2.046 10 10 EECEMO O=S(=O)([C@H]1CCN(Cc2cccc(Cl)c2[O-])C1)N1CCCC1 ZINC000180756163 464387861 /nfs/dbraw/zinc/38/78/61/464387861.db2.gz IXMWPLCZSCYBOE-ZDUSSCGKSA-N 1 1 344.864 2.046 10 10 EECEMO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cccc(Br)c2O)CC1=O ZINC000742392206 575980316 /nfs/dbraw/zinc/98/03/16/575980316.db2.gz NOLGTJCPZJENTF-IRUJWGPZSA-N 1 1 339.233 2.254 10 10 EECEMO C[C@H](C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)CS(C)(=O)=O ZINC000757842696 577865477 /nfs/dbraw/zinc/86/54/77/577865477.db2.gz CLPIICCVDJLHIT-GDBMZVCRSA-N 1 1 341.473 2.054 10 10 EECEMO CCN(CC)c1ccc(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)cc1 ZINC000865418721 1198207387 /nfs/dbraw/zinc/20/73/87/1198207387.db2.gz OSZMSXQJAAHJDS-KRWDZBQOSA-N 1 1 343.475 2.451 10 10 EECEMO COC(=O)/C=C\c1ccc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866209228 1201465701 /nfs/dbraw/zinc/46/57/01/1201465701.db2.gz ZRQXZPVOVIWWMJ-HMPZPJAKSA-N 1 1 345.399 2.311 10 10 EECEMO COc1ccc(N2CCCN(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1 ZINC000925318234 1206095690 /nfs/dbraw/zinc/09/56/90/1206095690.db2.gz DLRHNTAHTGFKOQ-QAPCUYQASA-N 1 1 346.475 2.010 10 10 EECEMO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C3CC3)C2)cc1 ZINC000855226507 1293119004 /nfs/dbraw/zinc/11/90/04/1293119004.db2.gz QFVGMKPCNICGLE-KBXCAEBGSA-N 1 1 329.444 2.017 10 10 EECEMO NC(=O)C[C@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000863326208 1296222805 /nfs/dbraw/zinc/22/28/05/1296222805.db2.gz LFYKWMYMJGLAID-LBPRGKRZSA-N 1 1 344.411 2.093 10 10 EECEMO COCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001264380127 1322683734 /nfs/dbraw/zinc/68/37/34/1322683734.db2.gz DADHDCJSVPVNQF-HNNXBMFYSA-N 1 1 347.419 2.032 10 10 EECEMO C[C@H](C[NH2+]Cc1cscn1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001321760281 1333154152 /nfs/dbraw/zinc/15/41/52/1333154152.db2.gz MAAGJTVZEAZMFU-SNVBAGLBSA-N 1 1 346.416 2.214 10 10 EECEMO C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000847355783 1337974526 /nfs/dbraw/zinc/97/45/26/1337974526.db2.gz GPDGUASZEBPEIA-HNNXBMFYSA-N 1 1 333.501 2.198 10 10 EECEMO COc1ccc(C[NH2+][C@H](CNC(=O)CN2CCCC2)C(C)C)cc1C ZINC001667519613 1355753747 /nfs/dbraw/zinc/75/37/47/1355753747.db2.gz JUERKFGZJCACJG-GOSISDBHSA-N 1 1 347.503 2.330 10 10 EECEMO Cc1cc(Br)cc(C[N@H+](C)C[C@H]2CN(C)CCO2)c1O ZINC000709429143 786949809 /nfs/dbraw/zinc/94/98/09/786949809.db2.gz XUMCPWHZBWSTRX-CQSZACIVSA-N 1 1 343.265 2.226 10 10 EECEMO COc1ccc(N2CC[NH+]([C@H]3CCN(C(C)(C)C)C3=O)CC2)cc1 ZINC000822570902 787273747 /nfs/dbraw/zinc/27/37/47/787273747.db2.gz SAJDJFBGSNWFIE-KRWDZBQOSA-N 1 1 331.460 2.217 10 10 EECEMO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000825117992 788445124 /nfs/dbraw/zinc/44/51/24/788445124.db2.gz NMRHHJWVXUBPST-NSHDSACASA-N 1 1 346.349 2.437 10 10 EECEMO COc1ccc(N2CC[NH+](CCNC(=O)N3[C@@H](C)C[C@@H]3C)CC2)cc1 ZINC000792056651 809554368 /nfs/dbraw/zinc/55/43/68/809554368.db2.gz DFOAQGVERPCXKG-HOTGVXAUSA-N 1 1 346.475 2.010 10 10 EECEMO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c1O ZINC000792713462 809956970 /nfs/dbraw/zinc/95/69/70/809956970.db2.gz LGOJMUGVMAFDAF-CALCHBBNSA-N 1 1 345.395 2.178 10 10 EECEMO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)CN1 ZINC000092105136 462927566 /nfs/dbraw/zinc/92/75/66/462927566.db2.gz VEMDECZGHLNZOQ-MJGOQNOKSA-N 1 1 343.471 2.014 10 10 EECEMO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000155705618 462930834 /nfs/dbraw/zinc/93/08/34/462930834.db2.gz CIZBEAOUUWEIIN-LJQANCHMSA-N 1 1 340.471 2.443 10 10 EECEMO CC[N@H+]1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000264659358 464411931 /nfs/dbraw/zinc/41/19/31/464411931.db2.gz QMMRWDIQRKEWJF-SOFGYWHQSA-N 1 1 333.388 2.313 10 10 EECEMO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Cl)c(F)cc3O)[C@H]2C1 ZINC000293657613 464415771 /nfs/dbraw/zinc/41/57/71/464415771.db2.gz NPNIDEKHTRICTR-GOEBONIOSA-N 1 1 328.815 2.480 10 10 EECEMO CC[N@H+]1CC[C@H]2OCCN(Cc3cc(Cl)c(F)cc3O)[C@H]2C1 ZINC000293657613 464415777 /nfs/dbraw/zinc/41/57/77/464415777.db2.gz NPNIDEKHTRICTR-GOEBONIOSA-N 1 1 328.815 2.480 10 10 EECEMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000175344027 464530738 /nfs/dbraw/zinc/53/07/38/464530738.db2.gz MYEOHQSHEBISJO-LJQANCHMSA-N 1 1 346.519 2.127 10 10 EECEMO C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccccc1 ZINC000295594797 464895277 /nfs/dbraw/zinc/89/52/77/464895277.db2.gz TXTZIJAMJRXFEM-XJKSGUPXSA-N 1 1 330.359 2.412 10 10 EECEMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000774685505 577411141 /nfs/dbraw/zinc/41/11/41/577411141.db2.gz BQEXBMDDTHTZSB-GJZGRUSLSA-N 1 1 337.416 2.252 10 10 EECEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)OCCCO)C1 ZINC000769664576 577582028 /nfs/dbraw/zinc/58/20/28/577582028.db2.gz IISKUEZOTGJOCR-UHFFFAOYSA-N 1 1 330.428 2.333 10 10 EECEMO CCN(C)c1ccc(C[NH+]2CCN(c3nccc(OC)n3)CC2)cc1 ZINC000741754502 578123593 /nfs/dbraw/zinc/12/35/93/578123593.db2.gz RDUWPSLDGHSWIK-UHFFFAOYSA-N 1 1 341.459 2.264 10 10 EECEMO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cnn(C)n2)c1O ZINC000806166866 675379135 /nfs/dbraw/zinc/37/91/35/675379135.db2.gz CIYLVHVTOPPHDB-VIFPVBQESA-N 1 1 325.210 2.442 10 10 EECEMO C[N@@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C[C@H]1CCCCO1 ZINC001267233564 1178559996 /nfs/dbraw/zinc/55/99/96/1178559996.db2.gz QIHGRZNPLNHPBE-OAHLLOKOSA-N 1 1 347.419 2.080 10 10 EECEMO CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001691683106 1197490716 /nfs/dbraw/zinc/49/07/16/1197490716.db2.gz PEOWLYSMLXTODR-OAHLLOKOSA-N 1 1 347.419 2.032 10 10 EECEMO COc1ccc(N2CCC[N@@H+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1 ZINC000929317034 1206464585 /nfs/dbraw/zinc/46/45/85/1206464585.db2.gz VKLZHERYKAMWKZ-MNEFBYGVSA-N 1 1 332.444 2.011 10 10 EECEMO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(F)cc1O ZINC000850519185 1277257728 /nfs/dbraw/zinc/25/77/28/1277257728.db2.gz LQODWUTWFRBHHB-MRVPVSSYSA-N 1 1 329.315 2.159 10 10 EECEMO Oc1cc2c(cc1C[N@@H+]1CCC=C(Br)C1)[C@@H](O)CO2 ZINC000799575427 1305310601 /nfs/dbraw/zinc/31/06/01/1305310601.db2.gz YPUGSWLUZBYTNB-ZDUSSCGKSA-N 1 1 326.190 2.303 10 10 EECEMO Oc1cc2c(cc1C[N@H+]1CCC=C(Br)C1)[C@@H](O)CO2 ZINC000799575427 1305310609 /nfs/dbraw/zinc/31/06/09/1305310609.db2.gz YPUGSWLUZBYTNB-ZDUSSCGKSA-N 1 1 326.190 2.303 10 10 EECEMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000840909198 1315433529 /nfs/dbraw/zinc/43/35/29/1315433529.db2.gz BXJWVIWDMQHLMI-SFHVURJKSA-N 1 1 345.487 2.132 10 10 EECEMO COc1c([O-])c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043958 1315827408 /nfs/dbraw/zinc/82/74/08/1315827408.db2.gz DUIBYEOZHBQNBB-GXTWGEPZSA-N 1 1 335.404 2.273 10 10 EECEMO COc1c(O)c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043958 1315827410 /nfs/dbraw/zinc/82/74/10/1315827410.db2.gz DUIBYEOZHBQNBB-GXTWGEPZSA-N 1 1 335.404 2.273 10 10 EECEMO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)c2ncn[nH]2)cc1C ZINC001319631563 1332731294 /nfs/dbraw/zinc/73/12/94/1332731294.db2.gz PIJPVCSTAZDHKH-OAHLLOKOSA-N 1 1 345.447 2.056 10 10 EECEMO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)c2nc[nH]n2)cc1C ZINC001319631563 1332731295 /nfs/dbraw/zinc/73/12/95/1332731295.db2.gz PIJPVCSTAZDHKH-OAHLLOKOSA-N 1 1 345.447 2.056 10 10 EECEMO COC(=O)c1c(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c2cc(F)ccc2n1C ZINC001353593283 1338298283 /nfs/dbraw/zinc/29/82/83/1338298283.db2.gz MOFNZYWACUITAR-YVEFUNNKSA-N 1 1 345.418 2.240 10 10 EECEMO C[C@H]1Cc2n[nH]cc2C[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001560144155 1342508235 /nfs/dbraw/zinc/50/82/35/1342508235.db2.gz UGNODBVKDZDLCP-HNNXBMFYSA-N 1 1 326.444 2.441 10 10 EECEMO O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001136832094 788075229 /nfs/dbraw/zinc/07/52/29/788075229.db2.gz ARXDFUCJCMUYFK-KRWDZBQOSA-N 1 1 340.423 2.421 10 10 EECEMO CC(C)N1CC[NH+](CCCC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000913725975 794182947 /nfs/dbraw/zinc/18/29/47/794182947.db2.gz FKEGKISAXZDCSV-UHFFFAOYSA-N 1 1 331.460 2.041 10 10 EECEMO CC(=O)C(=O)COC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000808517067 812686849 /nfs/dbraw/zinc/68/68/49/812686849.db2.gz WQBFJTGVQJEEBJ-AWEZNQCLSA-N 1 1 347.411 2.255 10 10 EECEMO CC(=O)C(=O)COC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000808517071 812686938 /nfs/dbraw/zinc/68/69/38/812686938.db2.gz WQBFJTGVQJEEBJ-CQSZACIVSA-N 1 1 347.411 2.255 10 10 EECEMO CCOc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cc1 ZINC001566562770 1125736520 /nfs/dbraw/zinc/73/65/20/1125736520.db2.gz NQFTUMWMFPOTEU-MRXNPFEDSA-N 1 1 331.460 2.076 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COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](NC(C)=O)C2)c1O ZINC000817364014 784742636 /nfs/dbraw/zinc/74/26/36/784742636.db2.gz BHVYROXGCQCTKW-AWEZNQCLSA-N 1 1 342.395 2.042 10 10 EECEMO [O-]c1cc(Br)ccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000825119386 788445238 /nfs/dbraw/zinc/44/52/38/788445238.db2.gz AOIRRWUJHALRGV-UHFFFAOYSA-N 1 1 343.265 2.357 10 10 EECEMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC34CCCC4)CC2)cc1 ZINC000844358242 789040513 /nfs/dbraw/zinc/04/05/13/789040513.db2.gz IKKMXORZSKBCIM-UHFFFAOYSA-N 1 1 343.471 2.362 10 10 EECEMO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC001471871572 1110534120 /nfs/dbraw/zinc/53/41/20/1110534120.db2.gz SFBKPMCOQPVMMM-KGLIPLIRSA-N 1 1 347.444 2.159 10 10 EECEMO CCOc1cccc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)c1O ZINC000121564045 463157734 /nfs/dbraw/zinc/15/77/34/463157734.db2.gz FXMXDIXJICRSPQ-UHFFFAOYSA-N 1 1 344.459 2.232 10 10 EECEMO C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000294096764 464432185 /nfs/dbraw/zinc/43/21/85/464432185.db2.gz ZXZZAEKCVOBNGK-UHFFFAOYSA-N 1 1 329.847 2.254 10 10 EECEMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC000273456886 464717210 /nfs/dbraw/zinc/71/72/10/464717210.db2.gz YZUGIFSKRVCNKV-ROUUACIJSA-N 1 1 347.503 2.098 10 10 EECEMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000248837143 464808146 /nfs/dbraw/zinc/80/81/46/464808146.db2.gz MSYSOVBWBLWDBP-WDSOQIARSA-N 1 1 344.455 2.297 10 10 EECEMO COc1ccc(N(C)C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1Cl ZINC000662634265 472180625 /nfs/dbraw/zinc/18/06/25/472180625.db2.gz DSOLWXPWZTYCMW-JTQLQIEISA-N 1 1 334.807 2.425 10 10 EECEMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000376020324 529296527 /nfs/dbraw/zinc/29/65/27/529296527.db2.gz FRJNLGYTKJICOB-VQTJNVASSA-N 1 1 346.471 2.293 10 10 EECEMO COC1(CO)CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000775206645 577432690 /nfs/dbraw/zinc/43/26/90/577432690.db2.gz XEOJDZOSAPKAKC-UHFFFAOYSA-N 1 1 344.249 2.436 10 10 EECEMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)cc2)CC1 ZINC000775736023 577444239 /nfs/dbraw/zinc/44/42/39/577444239.db2.gz JJDSNXLMQFJXLD-QUCCMNQESA-N 1 1 329.488 2.439 10 10 EECEMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]4COCC[C@@H]43)cc2)CC1 ZINC000775736023 577444240 /nfs/dbraw/zinc/44/42/40/577444240.db2.gz JJDSNXLMQFJXLD-QUCCMNQESA-N 1 1 329.488 2.439 10 10 EECEMO C[N@@H+](CCF)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267708948 1180230113 /nfs/dbraw/zinc/23/01/13/1180230113.db2.gz RYGZYVHDAGNQTB-GFCCVEGCSA-N 1 1 335.383 2.212 10 10 EECEMO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc2cnc[nH]2)cc1C ZINC001275361772 1205320916 /nfs/dbraw/zinc/32/09/16/1205320916.db2.gz XRYNAAAUBFKWRN-GJZGRUSLSA-N 1 1 344.459 2.200 10 10 EECEMO Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929969986 1206523366 /nfs/dbraw/zinc/52/33/66/1206523366.db2.gz GSYLWXDZLFHVSV-DWRORGKVSA-N 1 1 333.428 2.177 10 10 EECEMO [NH3+][C@@H]1CN(Cc2cccc(Br)c2O)C[C@H]1C(F)(F)F ZINC000903982129 1242854226 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1 1 329.444 2.017 10 10 EECEMO CN1CCN(c2ccc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4O)cc2)CC1 ZINC001319813629 1332774217 /nfs/dbraw/zinc/77/42/17/1332774217.db2.gz FWCMZLWOSKNCBV-UFRUDQCGSA-N 1 1 329.488 2.031 10 10 EECEMO CN1CCN(c2ccc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4O)cc2)CC1 ZINC001319813629 1332774219 /nfs/dbraw/zinc/77/42/19/1332774219.db2.gz FWCMZLWOSKNCBV-UFRUDQCGSA-N 1 1 329.488 2.031 10 10 EECEMO C[N@@H+]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](Cc2ccccc2)C1 ZINC001639822929 1352702097 /nfs/dbraw/zinc/70/20/97/1352702097.db2.gz QUYCZAHOPNUJIK-KRWDZBQOSA-N 1 1 340.423 2.026 10 10 EECEMO C[N@H+]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](Cc2ccccc2)C1 ZINC001639822929 1352702099 /nfs/dbraw/zinc/70/20/99/1352702099.db2.gz QUYCZAHOPNUJIK-KRWDZBQOSA-N 1 1 340.423 2.026 10 10 EECEMO C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)Cc1ccccn1 ZINC001663343203 1354951423 /nfs/dbraw/zinc/95/14/23/1354951423.db2.gz YZZUDGPEPAYENT-UHFFFAOYSA-N 1 1 340.387 2.106 10 10 EECEMO C[N@@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)Cc1ccccn1 ZINC001663343203 1354951426 /nfs/dbraw/zinc/95/14/26/1354951426.db2.gz YZZUDGPEPAYENT-UHFFFAOYSA-N 1 1 340.387 2.106 10 10 EECEMO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CO1 ZINC000722502976 778980295 /nfs/dbraw/zinc/98/02/95/778980295.db2.gz SFHHYJNGMCUTEY-NSHDSACASA-N 1 1 330.331 2.311 10 10 EECEMO Cc1cc(Br)c(O)c(C[N@@H+](C[C@H](O)CO)C(C)C)c1 ZINC000817417717 784769237 /nfs/dbraw/zinc/76/92/37/784769237.db2.gz ODSQANNANKAGSH-LBPRGKRZSA-N 1 1 332.238 2.027 10 10 EECEMO Cc1cc(Br)c(O)c(C[N@H+](C[C@H](O)CO)C(C)C)c1 ZINC000817417717 784769243 /nfs/dbraw/zinc/76/92/43/784769243.db2.gz ODSQANNANKAGSH-LBPRGKRZSA-N 1 1 332.238 2.027 10 10 EECEMO C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817983975 785134221 /nfs/dbraw/zinc/13/42/21/785134221.db2.gz SVPDBOOSBLNBPF-WLYUNCDWSA-N 1 1 348.447 2.167 10 10 EECEMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cc(Br)ccc1O ZINC000825130285 788450673 /nfs/dbraw/zinc/45/06/73/788450673.db2.gz RQPYLIXGRRBZJZ-GXFFZTMASA-N 1 1 330.222 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CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@H](C)C1 ZINC000278229519 463958527 /nfs/dbraw/zinc/95/85/27/463958527.db2.gz MOGSSKGQTPZUMS-OCCSQVGLSA-N 1 1 337.420 2.471 10 10 EECEMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246457714 464586497 /nfs/dbraw/zinc/58/64/97/464586497.db2.gz NZIOENMMUXNXIY-QZTJIDSGSA-N 1 1 334.485 2.230 10 10 EECEMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085791585 528147786 /nfs/dbraw/zinc/14/77/86/528147786.db2.gz HDLICHJOGLFWCG-HNNXBMFYSA-N 1 1 340.489 2.276 10 10 EECEMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCCC[C@@H]1C)cc2=O ZINC000734001263 577269713 /nfs/dbraw/zinc/26/97/13/577269713.db2.gz PDDGAWIBJOBJNK-LBPRGKRZSA-N 1 1 332.404 2.376 10 10 EECEMO COC(=O)c1c(CNCC2([NH+](C)C)CC2)c2cc(F)ccc2n1C ZINC000895025476 683485488 /nfs/dbraw/zinc/48/54/88/683485488.db2.gz RACHGSRVKJOUNC-UHFFFAOYSA-N 1 1 333.407 2.288 10 10 EECEMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1N=NC(=O)N1C ZINC000895175626 684216954 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EECEMO CN(CC[C@@H]1CCCC[N@H+]1C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301704005 466015092 /nfs/dbraw/zinc/01/50/92/466015092.db2.gz UXCDIUIFRUIIDJ-LBPRGKRZSA-N 1 1 348.403 2.236 10 10 EECEMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1O ZINC000362076638 466536595 /nfs/dbraw/zinc/53/65/95/466536595.db2.gz HOHHXVAOTGBXMA-BLLLJJGKSA-N 1 1 334.391 2.225 10 10 EECEMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1O ZINC000362076638 466536601 /nfs/dbraw/zinc/53/66/01/466536601.db2.gz HOHHXVAOTGBXMA-BLLLJJGKSA-N 1 1 334.391 2.225 10 10 EECEMO Cc1c[nH+]cn1CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000528881467 467771730 /nfs/dbraw/zinc/77/17/30/467771730.db2.gz HORSHNAABMFJEX-MRXNPFEDSA-N 1 1 329.400 2.105 10 10 EECEMO COc1ccc(O)c(CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000734070694 577276216 /nfs/dbraw/zinc/27/62/16/577276216.db2.gz ZKTNPYFDDSPJGF-OKILXGFUSA-N 1 1 335.448 2.463 10 10 EECEMO COc1ccc(O)c([C@H](C)NC(=O)Cn2c[nH+]c3c2CCCC3)c1 ZINC000758059007 577615339 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COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2cnc[nH]2)cc1C ZINC001275361771 1205320868 /nfs/dbraw/zinc/32/08/68/1205320868.db2.gz XRYNAAAUBFKWRN-CABCVRRESA-N 1 1 344.459 2.200 10 10 EECEMO C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC[N@H+]1C ZINC000925314207 1206094711 /nfs/dbraw/zinc/09/47/11/1206094711.db2.gz RUEYSYBHSWYWGE-DJIMGWMZSA-N 1 1 347.459 2.175 10 10 EECEMO C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Br)ccc1[O-] ZINC000925809832 1206156327 /nfs/dbraw/zinc/15/63/27/1206156327.db2.gz AMLZBEVLDARIAM-LLVKDONJSA-N 1 1 342.281 2.228 10 10 EECEMO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093611854 1214909667 /nfs/dbraw/zinc/90/96/67/1214909667.db2.gz SQWGAEYDJFQSIR-OAHLLOKOSA-N 1 1 348.340 2.161 10 10 EECEMO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093611854 1214909672 /nfs/dbraw/zinc/90/96/72/1214909672.db2.gz SQWGAEYDJFQSIR-OAHLLOKOSA-N 1 1 348.340 2.161 10 10 EECEMO c1c(C[NH+]2CCCCC2)nnn1Cc1ccc(N2CCOCC2)cc1 ZINC000900602044 1234548422 /nfs/dbraw/zinc/54/84/22/1234548422.db2.gz SJHFMXDRRSICRA-UHFFFAOYSA-N 1 1 341.459 2.149 10 10 EECEMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825337923 788577304 /nfs/dbraw/zinc/57/73/04/788577304.db2.gz IZHDGBFKHYUKSP-CYBMUJFWSA-N 1 1 345.409 2.270 10 10 EECEMO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001527595671 1120827697 /nfs/dbraw/zinc/82/76/97/1120827697.db2.gz OCQOADNRXBBHPY-SFHVURJKSA-N 1 1 333.476 2.463 10 10 EECEMO COc1cccc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1O ZINC000093147799 533481791 /nfs/dbraw/zinc/48/17/91/533481791.db2.gz UYKFKPWWKAVVPR-QGZVFWFLSA-N 1 1 333.476 2.003 10 10 EECEMO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000093530998 463039992 /nfs/dbraw/zinc/03/99/92/463039992.db2.gz VCXMRKBMPPPTIJ-KRWDZBQOSA-N 1 1 346.452 2.183 10 10 EECEMO Cn1cc(CN2CCC[N@@H+](Cc3cc(Cl)ccc3O)CC2)cn1 ZINC000121564982 463158882 /nfs/dbraw/zinc/15/88/82/463158882.db2.gz QOCBIRJWANQKSW-UHFFFAOYSA-N 1 1 334.851 2.487 10 10 EECEMO Oc1cc(F)c(Cl)cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000295010644 464678225 /nfs/dbraw/zinc/67/82/25/464678225.db2.gz VNTVYTNLAQLDLG-UHFFFAOYSA-N 1 1 341.858 2.398 10 10 EECEMO COc1c(O)c(C[NH2+][C@H]2CCCc3nn(C)cc32)ccc1[N+](=O)[O-] ZINC000282845220 464971323 /nfs/dbraw/zinc/97/13/23/464971323.db2.gz DAPYPJIICPHAED-LBPRGKRZSA-N 1 1 332.360 2.210 10 10 EECEMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000757404848 577859544 /nfs/dbraw/zinc/85/95/44/577859544.db2.gz GBJBOTHQCPICPW-HKUYNNGSSA-N 1 1 345.487 2.212 10 10 EECEMO O=C(NCC[N@@H+]1CCc2sccc2C1)NCc1c(O)cccc1F ZINC000914328551 683499208 /nfs/dbraw/zinc/49/92/08/683499208.db2.gz PORCTZVUDQUITO-UHFFFAOYSA-N 1 1 349.431 2.450 10 10 EECEMO O=C(NCC[N@H+]1CCc2sccc2C1)NCc1c(O)cccc1F ZINC000914328551 683499211 /nfs/dbraw/zinc/49/92/11/683499211.db2.gz PORCTZVUDQUITO-UHFFFAOYSA-N 1 1 349.431 2.450 10 10 EECEMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)CC[C@@H]21 ZINC000899177359 693647709 /nfs/dbraw/zinc/64/77/09/693647709.db2.gz BBOGNGGUYXKJED-JQWIXIFHSA-N 1 1 332.425 2.479 10 10 EECEMO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1C ZINC001266948652 1177874763 /nfs/dbraw/zinc/87/47/63/1177874763.db2.gz FOZVXZIEPZVCMU-FVQBIDKESA-N 1 1 342.443 2.125 10 10 EECEMO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCCN3C)CC2)cc1C ZINC001483745433 1190897925 /nfs/dbraw/zinc/89/79/25/1190897925.db2.gz DIMAXFWDUGBRQI-QGZVFWFLSA-N 1 1 345.487 2.226 10 10 EECEMO COc1cc(CN2CCN(c3cc[nH+]cc3OC)CC2)c(O)cc1C ZINC000794698745 1197834468 /nfs/dbraw/zinc/83/44/68/1197834468.db2.gz JACQGNIAQAKDHL-UHFFFAOYSA-N 1 1 343.427 2.435 10 10 EECEMO CC[C@H]1C[N@@H+](C)CCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000814938236 1199802310 /nfs/dbraw/zinc/80/23/10/1199802310.db2.gz HNLFDBXFATZOML-OWNNVSBGSA-N 1 1 333.388 2.311 10 10 EECEMO [NH3+][C@H]1C[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)C12CCC2 ZINC000925500354 1206119970 /nfs/dbraw/zinc/11/99/70/1206119970.db2.gz DNTLNEAYWJUQNW-OALUTQOASA-N 1 1 329.488 2.255 10 10 EECEMO O=C(NCc1ccccc1O)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC001137471643 1248668993 /nfs/dbraw/zinc/66/89/93/1248668993.db2.gz UXDUTPIFJKMWAP-FQEVSTJZSA-N 1 1 340.423 2.036 10 10 EECEMO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900337481 1234233868 /nfs/dbraw/zinc/23/38/68/1234233868.db2.gz HTFGSTUXPHLLIO-MOPGFXCFSA-N 1 1 343.471 2.156 10 10 EECEMO CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903889635 1242344335 /nfs/dbraw/zinc/34/43/35/1242344335.db2.gz UQWXQWQNEOGCJE-MRXNPFEDSA-N 1 1 330.476 2.464 10 10 EECEMO CCC[N@H+](Cc1ccccc1[O-])C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903889635 1242344341 /nfs/dbraw/zinc/34/43/41/1242344341.db2.gz UQWXQWQNEOGCJE-MRXNPFEDSA-N 1 1 330.476 2.464 10 10 EECEMO c1cc(N2CCOCC2)ccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045591 1315828484 /nfs/dbraw/zinc/82/84/84/1315828484.db2.gz VUJVSUZWXBIBCY-ICSRJNTNSA-N 1 1 329.488 2.487 10 10 EECEMO COc1ccc(N2CCC[N@@H+](C[C@@H](O)CCC3(O)CCC3)CC2)cc1 ZINC000905914865 783571835 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337.420 2.471 10 10 EECEMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@@H](C)C1 ZINC000278229511 463957169 /nfs/dbraw/zinc/95/71/69/463957169.db2.gz MOGSSKGQTPZUMS-GXTWGEPZSA-N 1 1 337.420 2.471 10 10 EECEMO COc1cccc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1O ZINC000194924877 463960293 /nfs/dbraw/zinc/96/02/93/463960293.db2.gz KIGBEGOJBKVKRC-CYBMUJFWSA-N 1 1 332.404 2.229 10 10 EECEMO c1cn(C[C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000188418174 464275215 /nfs/dbraw/zinc/27/52/15/464275215.db2.gz HUQPCRNCSSANQH-IBGZPJMESA-N 1 1 326.444 2.384 10 10 EECEMO O=S(=O)([C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1)N1CCCC1 ZINC000180756183 464387555 /nfs/dbraw/zinc/38/75/55/464387555.db2.gz IXMWPLCZSCYBOE-CYBMUJFWSA-N 1 1 344.864 2.046 10 10 EECEMO O=S(=O)([C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1)N1CCCC1 ZINC000180756183 464387558 /nfs/dbraw/zinc/38/75/58/464387558.db2.gz IXMWPLCZSCYBOE-CYBMUJFWSA-N 1 1 344.864 2.046 10 10 EECEMO COC(=O)CC1([NH2+]Cc2cc(Cl)c(F)cc2O)CCOCC1 ZINC000293583099 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1304967480 /nfs/dbraw/zinc/96/74/80/1304967480.db2.gz WSSODBLRKCRZGN-GMBSWORKSA-N 1 1 330.476 2.407 10 10 EECEMO COc1ccc(N2CC[C@@H](CNC(=O)CC[N@H+]3CC[C@@H](F)C3)C2)cc1 ZINC001643346674 1352746844 /nfs/dbraw/zinc/74/68/44/1352746844.db2.gz OPAZLBKHXHCEKZ-JKSUJKDBSA-N 1 1 349.450 2.072 10 10 EECEMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000844467266 789137572 /nfs/dbraw/zinc/13/75/72/789137572.db2.gz BOUAAAVWOCRPQN-QGZVFWFLSA-N 1 1 337.414 2.442 10 10 EECEMO COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](CC(N)=O)C2)c1O ZINC000808226280 812529248 /nfs/dbraw/zinc/52/92/48/812529248.db2.gz AXCBRLZSONMZQH-GFCCVEGCSA-N 1 1 342.395 2.029 10 10 EECEMO O=C(CC[N@H+]1CC[C@H](F)C1)NCc1cccc(Br)c1O ZINC001448955953 1093966761 /nfs/dbraw/zinc/96/67/61/1093966761.db2.gz CPKOHURTCVPWBY-NSHDSACASA-N 1 1 345.212 2.205 10 10 EECEMO COc1cccc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1O ZINC000120233168 462976431 /nfs/dbraw/zinc/97/64/31/462976431.db2.gz SJVHXQBWEKIRNM-HNNXBMFYSA-N 1 1 328.416 2.292 10 10 EECEMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1 ZINC000194939235 463963301 /nfs/dbraw/zinc/96/33/01/463963301.db2.gz AVSLKEKHWSYHMY-GFCCVEGCSA-N 1 1 332.404 2.229 10 10 EECEMO COc1ccccc1[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278573598 463970546 /nfs/dbraw/zinc/97/05/46/463970546.db2.gz DDEBOPYCZXEONT-CQSZACIVSA-N 1 1 348.355 2.141 10 10 EECEMO COc1cccc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)c1O ZINC000366536671 465789687 /nfs/dbraw/zinc/78/96/87/465789687.db2.gz SQTIPZGNYAZMRG-CQSZACIVSA-N 1 1 327.446 2.190 10 10 EECEMO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)C2)cc1 ZINC000898581225 693383238 /nfs/dbraw/zinc/38/32/38/693383238.db2.gz VHPMYWARXKTNQU-WMLDXEAASA-N 1 1 331.460 2.263 10 10 EECEMO Oc1cc2c(cc1C[N@@H+]1CCS[C@@H](C(F)(F)F)C1)[C@H](O)CO2 ZINC000905705462 1189875031 /nfs/dbraw/zinc/87/50/31/1189875031.db2.gz NQEAYDMNKHDLKO-DGCLKSJQSA-N 1 1 335.347 2.298 10 10 EECEMO Oc1cc2c(cc1C[N@H+]1CCS[C@@H](C(F)(F)F)C1)[C@H](O)CO2 ZINC000905705462 1189875038 /nfs/dbraw/zinc/87/50/38/1189875038.db2.gz NQEAYDMNKHDLKO-DGCLKSJQSA-N 1 1 335.347 2.298 10 10 EECEMO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC[N@H+]1C ZINC000869228589 1201969443 /nfs/dbraw/zinc/96/94/43/1201969443.db2.gz LIEVOGFBZWYSSD-JCGIZDLHSA-N 1 1 331.460 2.120 10 10 EECEMO C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC[N@H+]1C ZINC000925314209 1206094891 /nfs/dbraw/zinc/09/48/91/1206094891.db2.gz RUEYSYBHSWYWGE-HYVNUMGLSA-N 1 1 347.459 2.175 10 10 EECEMO CN(C)c1ccc(/C=C/CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827699464 1248656021 /nfs/dbraw/zinc/65/60/21/1248656021.db2.gz HQMQOSRRWPVZDF-YADGQWAMSA-N 1 1 329.488 2.297 10 10 EECEMO COc1ccnc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1F ZINC000850380935 1277208971 /nfs/dbraw/zinc/20/89/71/1277208971.db2.gz QYYYTRLHKKUZCX-UHFFFAOYSA-N 1 1 349.381 2.495 10 10 EECEMO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000799294112 1305215531 /nfs/dbraw/zinc/21/55/31/1305215531.db2.gz RYOMJXIINUEFCU-GOSISDBHSA-N 1 1 331.391 2.085 10 10 EECEMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117596157 1306122808 /nfs/dbraw/zinc/12/28/08/1306122808.db2.gz WMNDVDAHICVEBX-QGZVFWFLSA-N 1 1 337.483 2.416 10 10 EECEMO C[C@H]1CC[N@@H+](CCNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC001256032041 1318611101 /nfs/dbraw/zinc/61/11/01/1318611101.db2.gz LGJUGLNTQHMTJQ-AWEZNQCLSA-N 1 1 331.460 2.412 10 10 EECEMO COc1cccc(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1O ZINC001622780009 1352388998 /nfs/dbraw/zinc/38/89/98/1352388998.db2.gz ZYPNARHMCAARRI-SJORKVTESA-N 1 1 340.423 2.362 10 10 EECEMO COc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1O ZINC000824655435 788258445 /nfs/dbraw/zinc/25/84/45/788258445.db2.gz WJMQWEOUYRGYFI-GLQYFDAESA-N 1 1 341.835 2.416 10 10 EECEMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000922727460 801744706 /nfs/dbraw/zinc/74/47/06/801744706.db2.gz XXTUAXKXNPJLKJ-BZPMIXESSA-N 1 1 342.233 2.357 10 10 EECEMO C[C@@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1ccccc1O ZINC000788610960 807584313 /nfs/dbraw/zinc/58/43/13/807584313.db2.gz UPBIVPNVMQPLHC-CYBMUJFWSA-N 1 1 325.412 2.409 10 10 EECEMO C[C@@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1ccccc1O ZINC000788610960 807584317 /nfs/dbraw/zinc/58/43/17/807584317.db2.gz UPBIVPNVMQPLHC-CYBMUJFWSA-N 1 1 325.412 2.409 10 10 EECEMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C(C)(C)O ZINC001459566752 1110223963 /nfs/dbraw/zinc/22/39/63/1110223963.db2.gz BMPJVJDEFNUMPC-CYBMUJFWSA-N 1 1 332.238 2.108 10 10 EECEMO CCOc1cccc(C[N@@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)c1O ZINC000122410281 463262028 /nfs/dbraw/zinc/26/20/28/463262028.db2.gz NQXTWXKVHIJWRX-MRXNPFEDSA-N 1 1 331.416 2.197 10 10 EECEMO CCOc1cccc(C[N@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)c1O ZINC000122410281 463262033 /nfs/dbraw/zinc/26/20/33/463262033.db2.gz NQXTWXKVHIJWRX-MRXNPFEDSA-N 1 1 331.416 2.197 10 10 EECEMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1O ZINC000271772746 464379573 /nfs/dbraw/zinc/37/95/73/464379573.db2.gz FQKASRSAJOOVER-GFCCVEGCSA-N 1 1 346.880 2.115 10 10 EECEMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000367082204 466118897 /nfs/dbraw/zinc/11/88/97/466118897.db2.gz YNMVNSXIUCTULL-FQEVSTJZSA-N 1 1 345.487 2.214 10 10 EECEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC/C=C/CO)C1 ZINC000617683735 469759176 /nfs/dbraw/zinc/75/91/76/469759176.db2.gz HVIFAZBVWPNTES-AATRIKPKSA-N 1 1 341.455 2.073 10 10 EECEMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000774677436 577410408 /nfs/dbraw/zinc/41/04/08/577410408.db2.gz DLJVXHNABSIBGU-CABCVRRESA-N 1 1 344.411 2.483 10 10 EECEMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](C(F)F)C2)cc1 ZINC000761107780 577676760 /nfs/dbraw/zinc/67/67/60/577676760.db2.gz HRNWNLJLPRCZCM-AWEZNQCLSA-N 1 1 325.403 2.298 10 10 EECEMO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000263520797 690044546 /nfs/dbraw/zinc/04/45/46/690044546.db2.gz QVOQIPFHPULOMA-UHFFFAOYSA-N 1 1 330.428 2.039 10 10 EECEMO O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000263520797 690044549 /nfs/dbraw/zinc/04/45/49/690044549.db2.gz QVOQIPFHPULOMA-UHFFFAOYSA-N 1 1 330.428 2.039 10 10 EECEMO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2[nH]nc(C)c2C)cc1C ZINC001266929072 1177825599 /nfs/dbraw/zinc/82/55/99/1177825599.db2.gz AMZKWCIWLAACCQ-GFCCVEGCSA-N 1 1 330.432 2.252 10 10 EECEMO C[C@@H](O)CCC[N@@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001272184675 1188000632 /nfs/dbraw/zinc/00/06/32/1188000632.db2.gz COIUIGUCSGHYTC-CYBMUJFWSA-N 1 1 349.435 2.014 10 10 EECEMO COCC[N@@H+](Cc1ccc(Br)cc1O)[C@@H]1CCOC1 ZINC000825725819 1198883753 /nfs/dbraw/zinc/88/37/53/1198883753.db2.gz ATQVWEYOXRQWMD-CYBMUJFWSA-N 1 1 330.222 2.392 10 10 EECEMO COC(=O)[C@]12C[N@@H+](Cc3cc(Cl)c(C)cc3O)C[C@H]1COCC2 ZINC000825748809 1198979072 /nfs/dbraw/zinc/97/90/72/1198979072.db2.gz JVWWWXGLGOFSCR-SUMWQHHRSA-N 1 1 339.819 2.366 10 10 EECEMO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC[N@H+]1C ZINC000868955666 1201911572 /nfs/dbraw/zinc/91/15/72/1201911572.db2.gz NVPOHASQWLJFSV-AYOQOUSVSA-N 1 1 345.487 2.368 10 10 EECEMO COc1c(O)c(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)ccc1[N+](=O)[O-] ZINC000827243421 1238657736 /nfs/dbraw/zinc/65/77/36/1238657736.db2.gz ITGGTOMWUGFUGR-RISCZKNCSA-N 1 1 344.314 2.213 10 10 EECEMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c(Cl)c1 ZINC000840908270 1315433690 /nfs/dbraw/zinc/43/36/90/1315433690.db2.gz RDXHKHCLQHHWNE-LBPRGKRZSA-N 1 1 346.880 2.115 10 10 EECEMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000840909197 1315433761 /nfs/dbraw/zinc/43/37/61/1315433761.db2.gz BXJWVIWDMQHLMI-GOSISDBHSA-N 1 1 345.487 2.132 10 10 EECEMO COc1cccc(CNC(=O)CC[N@H+]2CCc3ccccc3C2)c1O ZINC000841406697 1315548049 /nfs/dbraw/zinc/54/80/49/1315548049.db2.gz SYVWUDXFQXHWOB-UHFFFAOYSA-N 1 1 340.423 2.465 10 10 EECEMO C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C(=O)[O-] ZINC001332338632 1335805495 /nfs/dbraw/zinc/80/54/95/1335805495.db2.gz GZWAZRNIFACETD-ZBFHGGJFSA-N 1 1 349.450 2.120 10 10 EECEMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C(=O)[O-] ZINC001332338632 1335805499 /nfs/dbraw/zinc/80/54/99/1335805499.db2.gz GZWAZRNIFACETD-ZBFHGGJFSA-N 1 1 349.450 2.120 10 10 EECEMO COc1ccc(N2CCC(NC(=O)CC[N@H+]3CC[C@H](F)C3)CC2)cc1 ZINC001626479164 1352464539 /nfs/dbraw/zinc/46/45/39/1352464539.db2.gz DGMNJHXOGGGBDT-HNNXBMFYSA-N 1 1 349.450 2.214 10 10 EECEMO COC(=O)/C=C\c1ccc(N(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000817132047 784526346 /nfs/dbraw/zinc/52/63/46/784526346.db2.gz YYQNJYDFSPORPU-LEJCZOIISA-N 1 1 333.388 2.311 10 10 EECEMO CNC(=O)[C@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000817284630 784627914 /nfs/dbraw/zinc/62/79/14/784627914.db2.gz ZQYZRNLBSWGADF-INIZCTEOSA-N 1 1 339.439 2.345 10 10 EECEMO CNC(=O)[C@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000817284630 784627921 /nfs/dbraw/zinc/62/79/21/784627921.db2.gz ZQYZRNLBSWGADF-INIZCTEOSA-N 1 1 339.439 2.345 10 10 EECEMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C(=O)[O-] ZINC000818631085 785310637 /nfs/dbraw/zinc/31/06/37/785310637.db2.gz CAOUOGFEGAMLJZ-YJBOKZPZSA-N 1 1 331.460 2.124 10 10 EECEMO Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2CN(C)CCO2)c1O ZINC000709429142 786950190 /nfs/dbraw/zinc/95/01/90/786950190.db2.gz XUMCPWHZBWSTRX-AWEZNQCLSA-N 1 1 343.265 2.226 10 10 EECEMO COc1cc(O)c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1OC ZINC000825124319 788447277 /nfs/dbraw/zinc/44/72/77/788447277.db2.gz MZQQGVGWTHKVAZ-YMTOWFKASA-N 1 1 335.322 2.155 10 10 EECEMO COc1cc(O)c(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1OC ZINC000825124318 788447483 /nfs/dbraw/zinc/44/74/83/788447483.db2.gz MZQQGVGWTHKVAZ-XPTSAGLGSA-N 1 1 335.322 2.155 10 10 EECEMO C[NH+]1CCN(C(=O)Cc2cccc(NCc3ccccc3O)c2)CC1 ZINC000152446006 794942263 /nfs/dbraw/zinc/94/22/63/794942263.db2.gz WZUKXENFQMKSJI-UHFFFAOYSA-N 1 1 339.439 2.321 10 10 EECEMO COc1c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)nn1C ZINC000121313552 463115225 /nfs/dbraw/zinc/11/52/25/463115225.db2.gz BPBVJYZXLKMVCT-UHFFFAOYSA-N 1 1 344.459 2.206 10 10 EECEMO COc1c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)nn1C ZINC000121313552 463115230 /nfs/dbraw/zinc/11/52/30/463115230.db2.gz BPBVJYZXLKMVCT-UHFFFAOYSA-N 1 1 344.459 2.206 10 10 EECEMO CCOc1cccc(C[N@@H+]2CCO[C@H](Cn3cc(C)cn3)C2)c1O ZINC000122410013 463262011 /nfs/dbraw/zinc/26/20/11/463262011.db2.gz NQXTWXKVHIJWRX-INIZCTEOSA-N 1 1 331.416 2.197 10 10 EECEMO CCOc1cccc(C[N@H+]2CCO[C@H](Cn3cc(C)cn3)C2)c1O ZINC000122410013 463262012 /nfs/dbraw/zinc/26/20/12/463262012.db2.gz NQXTWXKVHIJWRX-INIZCTEOSA-N 1 1 331.416 2.197 10 10 EECEMO Cc1cc(Cl)cc(C[NH+]2CCN(c3nc(N)ns3)CC2)c1O ZINC000271868798 464396480 /nfs/dbraw/zinc/39/64/80/464396480.db2.gz RTWCCUOYHTXTLO-UHFFFAOYSA-N 1 1 339.852 2.110 10 10 EECEMO COc1ccc(N2CC[NH+](CCCNc3nc(C)ns3)CC2)cc1 ZINC000266159224 464767690 /nfs/dbraw/zinc/76/76/90/464767690.db2.gz WFBLVONEDHIFRE-UHFFFAOYSA-N 1 1 347.488 2.479 10 10 EECEMO COCC[N@H+]1CCN(Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000184690114 465018273 /nfs/dbraw/zinc/01/82/73/465018273.db2.gz BMFSQPXLWSVARL-GFCCVEGCSA-N 1 1 328.840 2.207 10 10 EECEMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301715364 466016912 /nfs/dbraw/zinc/01/69/12/466016912.db2.gz ZYGZCVJHDQCRIL-LBPRGKRZSA-N 1 1 348.403 2.094 10 10 EECEMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cccc(OCC)c1O ZINC000373587498 466857638 /nfs/dbraw/zinc/85/76/38/466857638.db2.gz XNTDZYRGKYHWSQ-LSDHHAIUSA-N 1 1 337.416 2.333 10 10 EECEMO COc1cccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1O ZINC000377694991 467119336 /nfs/dbraw/zinc/11/93/36/467119336.db2.gz LJUWDZPWKLWCQF-JWTNVVGKSA-N 1 1 345.487 2.144 10 10 EECEMO COc1cccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1O ZINC000377694991 467119339 /nfs/dbraw/zinc/11/93/39/467119339.db2.gz LJUWDZPWKLWCQF-JWTNVVGKSA-N 1 1 345.487 2.144 10 10 EECEMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCCNC1=O ZINC000772799386 577298354 /nfs/dbraw/zinc/29/83/54/577298354.db2.gz ZALIFSOFICWRGP-LBPRGKRZSA-N 1 1 327.222 2.255 10 10 EECEMO Cc1cc(Br)c(O)c(C[NH2+][C@@]2(CCO)CCOC2)c1 ZINC000775030932 577427131 /nfs/dbraw/zinc/42/71/31/577427131.db2.gz XGESELGKFMMLFZ-AWEZNQCLSA-N 1 1 330.222 2.094 10 10 EECEMO CC[NH+]1CCN(CCC[NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840875462 679473540 /nfs/dbraw/zinc/47/35/40/679473540.db2.gz HGYIPUYTHWWPOR-UHFFFAOYSA-N 1 1 325.884 2.471 10 10 EECEMO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCCN2C)cc1C ZINC001484994756 1191609801 /nfs/dbraw/zinc/60/98/01/1191609801.db2.gz YEFAQQMRBUNTEX-FUHWJXTLSA-N 1 1 347.503 2.472 10 10 EECEMO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000811448283 1200062958 /nfs/dbraw/zinc/06/29/58/1200062958.db2.gz SWZLQYJIPBYQOH-KRWDZBQOSA-N 1 1 339.363 2.036 10 10 EECEMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC000811448283 1200062967 /nfs/dbraw/zinc/06/29/67/1200062967.db2.gz SWZLQYJIPBYQOH-KRWDZBQOSA-N 1 1 339.363 2.036 10 10 EECEMO C[C@@H]1[C@@H](NC(=O)NCc2cccc(Br)c2O)CC[N@H+]1C ZINC000925334820 1206099221 /nfs/dbraw/zinc/09/92/21/1206099221.db2.gz NWXNKIOXJPDWJB-SKDRFNHKSA-N 1 1 342.237 2.047 10 10 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CCOc1ccc(O)c(C[NH+]2CCN([C@H](C)c3nc(C)no3)CC2)c1 ZINC000121327444 463117357 /nfs/dbraw/zinc/11/73/57/463117357.db2.gz NUIFZOMUMGQAOF-CYBMUJFWSA-N 1 1 346.431 2.361 10 10 EECEMO Cc1cc(Br)cc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c1O ZINC000279383040 464096066 /nfs/dbraw/zinc/09/60/66/464096066.db2.gz JIGQQNMEFPZMNR-OAHLLOKOSA-N 1 1 339.233 2.175 10 10 EECEMO COC(=O)c1c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c2cc(F)ccc2n1C ZINC000894580743 682980005 /nfs/dbraw/zinc/98/00/05/682980005.db2.gz MUYZOVMWGGZPSP-BETUJISGSA-N 1 1 345.418 2.097 10 10 EECEMO C[C@@H](C[NH2+]Cc1ccon1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001271229614 1186093823 /nfs/dbraw/zinc/09/38/23/1186093823.db2.gz ZKLZYUFBCWHLRM-NSHDSACASA-N 1 1 344.375 2.087 10 10 EECEMO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCN3C)CCC2)cc1C ZINC001484628064 1191448161 /nfs/dbraw/zinc/44/81/61/1191448161.db2.gz ONVGECZKAHOBEL-QGZVFWFLSA-N 1 1 345.487 2.226 10 10 EECEMO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cn3)CC2)cc1F ZINC000799305169 1305221240 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333.388 2.310 10 10 EECEMO O=C(NCc1cc(Br)ccc1O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000804738547 675611520 /nfs/dbraw/zinc/61/15/20/675611520.db2.gz UMBVGMHCGBQLBO-ZDUSSCGKSA-N 1 1 339.233 2.398 10 10 EECEMO COC(=O)c1c(C[NH2+]Cc2cncn2C)c2cc(F)ccc2n1C ZINC000894790619 683089193 /nfs/dbraw/zinc/08/91/93/683089193.db2.gz UNSZHISKAVXNCH-UHFFFAOYSA-N 1 1 330.363 2.127 10 10 EECEMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000120839718 683179231 /nfs/dbraw/zinc/17/92/31/683179231.db2.gz FUOUMFQALQKSQO-INIZCTEOSA-N 1 1 332.444 2.080 10 10 EECEMO CC[C@H](CNC(=O)CN1CCCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481877225 1182854866 /nfs/dbraw/zinc/85/48/66/1182854866.db2.gz CEHVJYCWPXBJDC-QGZVFWFLSA-N 1 1 333.476 2.084 10 10 EECEMO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2[nH]ncc2F)cc1C ZINC001270508381 1185136294 /nfs/dbraw/zinc/13/62/94/1185136294.db2.gz SYTFHIONALLCBH-LLVKDONJSA-N 1 1 334.395 2.022 10 10 EECEMO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCN2C)cc1C ZINC001482816164 1187749358 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EECEMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000862551559 1295877251 /nfs/dbraw/zinc/87/72/51/1295877251.db2.gz OIMADZOEYISKKK-CQSZACIVSA-N 1 1 348.468 2.307 10 10 EECEMO C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)[N@@H+](C)Cc1ccccc1 ZINC001293471520 1328726734 /nfs/dbraw/zinc/72/67/34/1328726734.db2.gz WGBJTASJHBGNFH-CQSZACIVSA-N 1 1 328.412 2.277 10 10 EECEMO COc1ccc(C[NH2+]C2(CNC(=O)Cc3cnc[nH]3)CCC2)cc1C ZINC001280507629 1324262924 /nfs/dbraw/zinc/26/29/24/1324262924.db2.gz GZUFCVIILPFPOE-UHFFFAOYSA-N 1 1 342.443 2.098 10 10 EECEMO C[C@@H]1Cc2n[nH]cc2C[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001560144156 1342508004 /nfs/dbraw/zinc/50/80/04/1342508004.db2.gz UGNODBVKDZDLCP-OAHLLOKOSA-N 1 1 326.444 2.441 10 10 EECEMO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCCN2C)cc1C ZINC001571392716 1343202523 /nfs/dbraw/zinc/20/25/23/1343202523.db2.gz CGSBPBQBHBRWGH-SJLPKXTDSA-N 1 1 347.503 2.424 10 10 EECEMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001636120064 1352659317 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Cc1cc(Br)c(O)c(C[N@@H+](C[C@@H](O)CO)C(C)C)c1 ZINC000817417715 784768780 /nfs/dbraw/zinc/76/87/80/784768780.db2.gz ODSQANNANKAGSH-GFCCVEGCSA-N 1 1 332.238 2.027 10 10 EECEMO Cc1cc(Br)c(O)c(C[N@H+](C[C@@H](O)CO)C(C)C)c1 ZINC000817417715 784768787 /nfs/dbraw/zinc/76/87/87/784768787.db2.gz ODSQANNANKAGSH-GFCCVEGCSA-N 1 1 332.238 2.027 10 10 EECEMO COc1ccc(N2CCC[N@H+](Cc3nccnc3OC)CC2)cc1 ZINC000823419291 787762696 /nfs/dbraw/zinc/76/26/96/787762696.db2.gz XGOWIYDBCQSHTI-UHFFFAOYSA-N 1 1 328.416 2.206 10 10 EECEMO COc1ccc(N2CCC[N@@H+](Cc3nccnc3OC)CC2)cc1 ZINC000823419291 787762703 /nfs/dbraw/zinc/76/27/03/787762703.db2.gz XGOWIYDBCQSHTI-UHFFFAOYSA-N 1 1 328.416 2.206 10 10 EECEMO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cccc(Br)c1O ZINC000825130388 788450659 /nfs/dbraw/zinc/45/06/59/788450659.db2.gz XDVBQTQIDXJZNA-MFKMUULPSA-N 1 1 330.222 2.126 10 10 EECEMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cccc(Br)c1O ZINC000825130388 788450665 /nfs/dbraw/zinc/45/06/65/788450665.db2.gz XDVBQTQIDXJZNA-MFKMUULPSA-N 1 1 330.222 2.126 10 10 EECEMO Cc1cc(Br)c(O)c(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c1 ZINC000825130162 788450697 /nfs/dbraw/zinc/45/06/97/788450697.db2.gz OJLMFVBVZIHIMQ-BXUZGUMPSA-N 1 1 344.249 2.435 10 10 EECEMO Cc1cc(Br)c(O)c(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c1 ZINC000825130162 788450701 /nfs/dbraw/zinc/45/07/01/788450701.db2.gz OJLMFVBVZIHIMQ-BXUZGUMPSA-N 1 1 344.249 2.435 10 10 EECEMO COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](C)[C@H]3C)CC2)cc1 ZINC000916225998 797556995 /nfs/dbraw/zinc/55/69/95/797556995.db2.gz MOGGFPQDPXJKLG-KBXCAEBGSA-N 1 1 346.475 2.056 10 10 EECEMO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c1O ZINC000917480469 798236157 /nfs/dbraw/zinc/23/61/57/798236157.db2.gz NIFOYPKSTLGTCQ-CYBMUJFWSA-N 1 1 343.379 2.327 10 10 EECEMO CN(C)c1ccc(CNc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)cc1 ZINC000788530345 807581144 /nfs/dbraw/zinc/58/11/44/807581144.db2.gz YMAHJKFVHOZPCO-UHFFFAOYSA-N 1 1 338.455 2.208 10 10 EECEMO CN(C)c1ccc(CNc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)cc1 ZINC000788530345 807581151 /nfs/dbraw/zinc/58/11/51/807581151.db2.gz YMAHJKFVHOZPCO-UHFFFAOYSA-N 1 1 338.455 2.208 10 10 EECEMO C[NH+](C)Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)o1 ZINC001542302259 1124112096 /nfs/dbraw/zinc/11/20/96/1124112096.db2.gz NEPPAZDVSMOZEQ-UHFFFAOYSA-N 1 1 343.427 2.108 10 10 EECEMO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCCN2C)cc1C ZINC001568645110 1124657442 /nfs/dbraw/zinc/65/74/42/1124657442.db2.gz BCNUQIOETILCNS-FUHWJXTLSA-N 1 1 347.503 2.472 10 10 EECEMO Cc1nc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cs1 ZINC000048353692 462899408 /nfs/dbraw/zinc/89/94/08/462899408.db2.gz PLIOOISKLNXKGB-OAHLLOKOSA-N 1 1 344.484 2.443 10 10 EECEMO CCOc1cccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1O ZINC000093147331 463012261 /nfs/dbraw/zinc/01/22/61/463012261.db2.gz MJUMUUNQTQFVKX-SFHVURJKSA-N 1 1 347.503 2.393 10 10 EECEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2)c1 ZINC000273596378 464721270 /nfs/dbraw/zinc/72/12/70/464721270.db2.gz QRPLJSQNVDJHFK-CYBMUJFWSA-N 1 1 342.395 2.259 10 10 EECEMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373719446 466898703 /nfs/dbraw/zinc/89/87/03/466898703.db2.gz LHAZHWXCNPYMCB-VFVRVIDISA-N 1 1 335.400 2.279 10 10 EECEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOC2)C1 ZINC000435912186 467502238 /nfs/dbraw/zinc/50/22/38/467502238.db2.gz UJNIEBUQEAUJKL-OAHLLOKOSA-N 1 1 341.455 2.313 10 10 EECEMO COc1c(O)c(C[NH2+]CCc2cnc(C3CC3)nc2)ccc1[N+](=O)[O-] ZINC000775038431 577427487 /nfs/dbraw/zinc/42/74/87/577427487.db2.gz GYZREGRKAPILBO-UHFFFAOYSA-N 1 1 344.371 2.309 10 10 EECEMO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000761654839 577687177 /nfs/dbraw/zinc/68/71/77/577687177.db2.gz XXVXBVHYDUZUAE-UHFFFAOYSA-N 1 1 343.475 2.452 10 10 EECEMO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000761654839 577687178 /nfs/dbraw/zinc/68/71/78/577687178.db2.gz XXVXBVHYDUZUAE-UHFFFAOYSA-N 1 1 343.475 2.452 10 10 EECEMO CCN1CCN(c2ccc(C[NH2+][C@@H]3CN(C)C[C@H]3C)cc2F)CC1 ZINC000756117849 577838671 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O=S1(=O)Cc2ccccc2[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000857060896 1293710154 /nfs/dbraw/zinc/71/01/54/1293710154.db2.gz FUWOFRVKLRTNGH-KRWDZBQOSA-N 1 1 329.421 2.381 10 10 EECEMO C[C@H]1CC[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CS1(=O)=O ZINC000858188737 1294038001 /nfs/dbraw/zinc/03/80/01/1294038001.db2.gz BCKLWIQNDFKSIB-JQWIXIFHSA-N 1 1 332.416 2.086 10 10 EECEMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000840097346 1315293888 /nfs/dbraw/zinc/29/38/88/1315293888.db2.gz VTDLGAZPONMOBA-CYBMUJFWSA-N 1 1 327.384 2.215 10 10 EECEMO Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001304794098 1331397784 /nfs/dbraw/zinc/39/77/84/1331397784.db2.gz CMXYQPBAIIZQIK-OAHLLOKOSA-N 1 1 341.459 2.413 10 10 EECEMO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cnc(C)[nH]2)cc1C ZINC001319437823 1332701546 /nfs/dbraw/zinc/70/15/46/1332701546.db2.gz XAZKHSOIDMKMFE-CYBMUJFWSA-N 1 1 330.432 2.285 10 10 EECEMO CCN(CC)c1ccc(C[NH+]2CCN(c3nncn3C)CC2)cc1F ZINC000848924871 1338807774 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COc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)c2cnc[nH]2)cc1C ZINC001498160466 1107002537 /nfs/dbraw/zinc/00/25/37/1107002537.db2.gz QHUQZPRWYMCQPM-AWEZNQCLSA-N 1 1 344.459 2.299 10 10 EECEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)no1 ZINC000103135104 237074248 /nfs/dbraw/zinc/07/42/48/237074248.db2.gz FIEAJZSHWFEVRL-GFCCVEGCSA-N 1 1 331.372 2.267 10 10 EECEMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c(O)c1 ZINC000005100521 210390085 /nfs/dbraw/zinc/39/00/85/210390085.db2.gz DVTAEQVTEWKDRK-OAHLLOKOSA-N 1 1 345.424 2.304 10 10 EECEMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c(O)c1 ZINC000005100521 210390091 /nfs/dbraw/zinc/39/00/91/210390091.db2.gz DVTAEQVTEWKDRK-OAHLLOKOSA-N 1 1 345.424 2.304 10 10 EECEMO CCc1noc([C@H](C)N2CC[NH+](Cc3cccc(OC)c3O)CC2)n1 ZINC000121400367 463129491 /nfs/dbraw/zinc/12/94/91/463129491.db2.gz TYNJHKNVSVFSKY-ZDUSSCGKSA-N 1 1 346.431 2.225 10 10 EECEMO CO[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@H]1C ZINC000189281878 464469743 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Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929969985 1206523491 /nfs/dbraw/zinc/52/34/91/1206523491.db2.gz GSYLWXDZLFHVSV-DFEOGRTESA-N 1 1 333.428 2.177 10 10 EECEMO Oc1ccc(Cl)c(F)c1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827700406 1248656134 /nfs/dbraw/zinc/65/61/34/1248656134.db2.gz RZJYLEWXGVNDCJ-LBPRGKRZSA-N 1 1 328.815 2.216 10 10 EECEMO Oc1ccc(Cl)c(F)c1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000827700406 1248656147 /nfs/dbraw/zinc/65/61/47/1248656147.db2.gz RZJYLEWXGVNDCJ-LBPRGKRZSA-N 1 1 328.815 2.216 10 10 EECEMO CN(C)c1ccc(CN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C2CC2)cc1 ZINC000900125785 1234032523 /nfs/dbraw/zinc/03/25/23/1234032523.db2.gz YLSPIOOLOAZCDG-FQEVSTJZSA-N 1 1 345.487 2.090 10 10 EECEMO CN1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)CC1 ZINC000903088582 1239702789 /nfs/dbraw/zinc/70/27/89/1239702789.db2.gz LOAQTQWWLLPPTC-WRTQPQOASA-N 1 1 341.499 2.342 10 10 EECEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(OC)CCSC2)c1 ZINC000903315241 1240232720 /nfs/dbraw/zinc/23/27/20/1240232720.db2.gz VCDBKRSGGYOSKI-ZBEGNZNMSA-N 1 1 325.430 2.352 10 10 EECEMO CCON(CC)C(=O)C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000858220366 1294050758 /nfs/dbraw/zinc/05/07/58/1294050758.db2.gz WHTIJMLCHPXDJC-UHFFFAOYSA-N 1 1 345.237 2.353 10 10 EECEMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC13CCCC3)cc2=O ZINC000844355957 789038972 /nfs/dbraw/zinc/03/89/72/789038972.db2.gz DDDAINQTBHOJFB-UHFFFAOYSA-N 1 1 330.388 2.130 10 10 EECEMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1O ZINC000164325540 789144954 /nfs/dbraw/zinc/14/49/54/789144954.db2.gz CLOABOWFYBSORX-INIZCTEOSA-N 1 1 334.460 2.253 10 10 EECEMO Cc1cc(Br)c(O)c(C[NH2+]CC[C@]2(O)CCOC2)c1 ZINC000846050578 790037936 /nfs/dbraw/zinc/03/79/36/790037936.db2.gz VOBISDQNMMKJDK-AWEZNQCLSA-N 1 1 330.222 2.094 10 10 EECEMO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000788973811 807786946 /nfs/dbraw/zinc/78/69/46/807786946.db2.gz XWQVHUSXPIRFKX-SNVBAGLBSA-N 1 1 329.238 2.420 10 10 EECEMO Cc1cccc(CNc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1O ZINC000789769084 808171882 /nfs/dbraw/zinc/17/18/82/808171882.db2.gz KCSCAMMCNZRPTP-UHFFFAOYSA-N 1 1 325.412 2.156 10 10 EECEMO Cc1cccc(CNc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c1O ZINC000789769084 808171885 /nfs/dbraw/zinc/17/18/85/808171885.db2.gz KCSCAMMCNZRPTP-UHFFFAOYSA-N 1 1 325.412 2.156 10 10 EECEMO CC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1O ZINC000375861340 529671211 /nfs/dbraw/zinc/67/12/11/529671211.db2.gz MYUGFWNZZUZEBR-HOTGVXAUSA-N 1 1 336.407 2.352 10 10 EECEMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CC(=O)C1 ZINC000367960125 466560275 /nfs/dbraw/zinc/56/02/75/466560275.db2.gz QZRGVCYRYPKRJU-CQSZACIVSA-N 1 1 336.819 2.105 10 10 EECEMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC(=O)C1 ZINC000367960125 466560283 /nfs/dbraw/zinc/56/02/83/466560283.db2.gz QZRGVCYRYPKRJU-CQSZACIVSA-N 1 1 336.819 2.105 10 10 EECEMO COc1c(O)c(C[N@@H+]2CCC[C@H](c3ccncn3)C2)ccc1[N+](=O)[O-] ZINC000365496474 466837846 /nfs/dbraw/zinc/83/78/46/466837846.db2.gz UUJLFEJKGPMQIH-LBPRGKRZSA-N 1 1 344.371 2.479 10 10 EECEMO COc1c(O)c(C[N@H+]2CCC[C@H](c3ccncn3)C2)ccc1[N+](=O)[O-] ZINC000365496474 466837850 /nfs/dbraw/zinc/83/78/50/466837850.db2.gz UUJLFEJKGPMQIH-LBPRGKRZSA-N 1 1 344.371 2.479 10 10 EECEMO COc1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c(O)c1 ZINC000528297215 467678888 /nfs/dbraw/zinc/67/88/88/467678888.db2.gz UKEJYXRDZJRTIU-OAHLLOKOSA-N 1 1 333.432 2.217 10 10 EECEMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000763316401 577718915 /nfs/dbraw/zinc/71/89/15/577718915.db2.gz YPGZRUVFZZGFSL-AWEZNQCLSA-N 1 1 334.416 2.422 10 10 EECEMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000763316401 577718916 /nfs/dbraw/zinc/71/89/16/577718916.db2.gz YPGZRUVFZZGFSL-AWEZNQCLSA-N 1 1 334.416 2.422 10 10 EECEMO CCN1CCN(c2ccc(C[NH2+][C@H](C)C(C)(C)CO)cc2F)CC1 ZINC000924996177 682345276 /nfs/dbraw/zinc/34/52/76/682345276.db2.gz PLLYVLLSXAPFQQ-OAHLLOKOSA-N 1 1 337.483 2.464 10 10 EECEMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868358264 1201797775 /nfs/dbraw/zinc/79/77/75/1201797775.db2.gz NXCWCDOKRWVYJH-CVEARBPZSA-N 1 1 348.491 2.026 10 10 EECEMO Cc1ccc(O)c(C[N@H+]2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)c1 ZINC000827094426 1249871413 /nfs/dbraw/zinc/87/14/13/1249871413.db2.gz PGMPPWSRIMMAKF-DNVCBOLYSA-N 1 1 333.428 2.491 10 10 EECEMO C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cccc(C(F)(F)F)c1O ZINC000850507339 1277253501 /nfs/dbraw/zinc/25/35/01/1277253501.db2.gz IVJACAHPYDAIKM-ABAIWWIYSA-N 1 1 349.349 2.230 10 10 EECEMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)nc1 ZINC000858011827 1293987499 /nfs/dbraw/zinc/98/74/99/1293987499.db2.gz RRWZMFPFHHXFFQ-AWEZNQCLSA-N 1 1 328.368 2.478 10 10 EECEMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)cc1F ZINC000862382337 1295815914 /nfs/dbraw/zinc/81/59/14/1295815914.db2.gz RHVSQGNOBPOKJN-LBPRGKRZSA-N 1 1 339.386 2.305 10 10 EECEMO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000908210760 785237208 /nfs/dbraw/zinc/23/72/08/785237208.db2.gz CVZVOTPCSWGEKD-OAHLLOKOSA-N 1 1 347.242 2.162 10 10 EECEMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000908210760 785237214 /nfs/dbraw/zinc/23/72/14/785237214.db2.gz CVZVOTPCSWGEKD-OAHLLOKOSA-N 1 1 347.242 2.162 10 10 EECEMO COc1ccc(N2CC[NH+]([C@@H]3CCN(C(C)(C)C)C3=O)CC2)cc1 ZINC000822570904 787273662 /nfs/dbraw/zinc/27/36/62/787273662.db2.gz SAJDJFBGSNWFIE-QGZVFWFLSA-N 1 1 331.460 2.217 10 10 EECEMO COc1nccnc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000823666918 787862348 /nfs/dbraw/zinc/86/23/48/787862348.db2.gz VIGOJKOKJOIXIN-UHFFFAOYSA-N 1 1 330.457 2.328 10 10 EECEMO COC1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[S@]4=O)cc2)CC1 ZINC000844433386 789118431 /nfs/dbraw/zinc/11/84/31/789118431.db2.gz MFZKHMDNPSMIAY-TXBYWVTISA-N 1 1 334.485 2.007 10 10 EECEMO Cc1ccc(N2CCC(C(=O)NCc3c(O)cccc3O)CC2)[nH+]c1 ZINC001178911800 799697412 /nfs/dbraw/zinc/69/74/12/799697412.db2.gz PSTBOWZFHZFJQA-UHFFFAOYSA-N 1 1 341.411 2.334 10 10 EECEMO COC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000843832242 808453468 /nfs/dbraw/zinc/45/34/68/808453468.db2.gz VBNPHTMPSDIGPO-CQSZACIVSA-N 1 1 338.835 2.305 10 10 EECEMO CCc1noc([C@@H](C)N2CC[NH+](Cc3cccc(OC)c3O)CC2)n1 ZINC000121400211 463129416 /nfs/dbraw/zinc/12/94/16/463129416.db2.gz TYNJHKNVSVFSKY-CYBMUJFWSA-N 1 1 346.431 2.225 10 10 EECEMO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(F)cc3O)C2=O)n(C)n1 ZINC000186327641 463977990 /nfs/dbraw/zinc/97/79/90/463977990.db2.gz HWBBFWHKCDAOMX-DOMZBBRYSA-N 1 1 346.406 2.419 10 10 EECEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000273371129 464713894 /nfs/dbraw/zinc/71/38/94/464713894.db2.gz CMRGXMUFXYJUFZ-QGLTVNCISA-N 1 1 334.416 2.277 10 10 EECEMO O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530213255 467964015 /nfs/dbraw/zinc/96/40/15/467964015.db2.gz OFJOAQLKVIUPKM-INIZCTEOSA-N 1 1 343.427 2.173 10 10 EECEMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(OC)c(C)cc1O ZINC000774685507 577411051 /nfs/dbraw/zinc/41/10/51/577411051.db2.gz BQEXBMDDTHTZSB-HUUCEWRRSA-N 1 1 337.416 2.252 10 10 EECEMO COc1cccc(O)c1C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000768903710 577565419 /nfs/dbraw/zinc/56/54/19/577565419.db2.gz SGYBTYCPAPFXKD-MRXNPFEDSA-N 1 1 326.396 2.464 10 10 EECEMO Cc1cc(Br)c(O)c(C[N@H+](C)CCNC(=O)N(C)C)c1 ZINC000757865028 577865811 /nfs/dbraw/zinc/86/58/11/577865811.db2.gz KDHPEZLTHLLBNY-UHFFFAOYSA-N 1 1 344.253 2.166 10 10 EECEMO Cc1cc(Br)c(O)c(C[N@@H+](C)CCNC(=O)N(C)C)c1 ZINC000757865028 577865810 /nfs/dbraw/zinc/86/58/10/577865810.db2.gz KDHPEZLTHLLBNY-UHFFFAOYSA-N 1 1 344.253 2.166 10 10 EECEMO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781907176 679289669 /nfs/dbraw/zinc/28/96/69/679289669.db2.gz FQNVLRKNCJIIDT-JTQLQIEISA-N 1 1 329.238 2.277 10 10 EECEMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781907176 679289671 /nfs/dbraw/zinc/28/96/71/679289671.db2.gz FQNVLRKNCJIIDT-JTQLQIEISA-N 1 1 329.238 2.277 10 10 EECEMO CCOc1cccc(C[N@@H+]2CCc3nc(COC)ncc3C2)c1O ZINC000895414364 684592621 /nfs/dbraw/zinc/59/26/21/684592621.db2.gz DWKWGJASLHLDTL-UHFFFAOYSA-N 1 1 329.400 2.286 10 10 EECEMO CCOc1cccc(C[N@H+]2CCc3nc(COC)ncc3C2)c1O ZINC000895414364 684592622 /nfs/dbraw/zinc/59/26/22/684592622.db2.gz DWKWGJASLHLDTL-UHFFFAOYSA-N 1 1 329.400 2.286 10 10 EECEMO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CCCCN1C ZINC001268463033 1182764997 /nfs/dbraw/zinc/76/49/97/1182764997.db2.gz UNMVATUIUZXAOU-GOSISDBHSA-N 1 1 347.503 2.426 10 10 EECEMO CC[C@@H](CNC(=O)CN1CCCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481877222 1182854174 /nfs/dbraw/zinc/85/41/74/1182854174.db2.gz CEHVJYCWPXBJDC-KRWDZBQOSA-N 1 1 333.476 2.084 10 10 EECEMO Fc1cc(C[NH2+][C@H]2CCc3[nH]cnc3C2)ccc1N1CCOCC1 ZINC000810171595 1199310110 /nfs/dbraw/zinc/31/01/10/1199310110.db2.gz MCYVUESZQLNDFE-AWEZNQCLSA-N 1 1 330.407 2.033 10 10 EECEMO CCOC(=O)C12CC(C1)C[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000931065211 1206603923 /nfs/dbraw/zinc/60/39/23/1206603923.db2.gz GCOCGXFOWMVUGA-UHFFFAOYSA-N 1 1 330.428 2.051 10 10 EECEMO CCOC(=O)C12CC(C1)C[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000931065211 1206603924 /nfs/dbraw/zinc/60/39/24/1206603924.db2.gz GCOCGXFOWMVUGA-UHFFFAOYSA-N 1 1 330.428 2.051 10 10 EECEMO c1c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)nnn1C1CCC1 ZINC000850068600 1277017375 /nfs/dbraw/zinc/01/73/75/1277017375.db2.gz HJSXGOHHIHOTGG-UHFFFAOYSA-N 1 1 327.432 2.130 10 10 EECEMO O=C(NCc1cc(Cl)cc(Cl)c1O)NCC12CC(C1)C[NH2+]2 ZINC000851677989 1277715336 /nfs/dbraw/zinc/71/53/36/1277715336.db2.gz YZBFTBFTGUMJCX-UHFFFAOYSA-N 1 1 330.215 2.250 10 10 EECEMO CO[C@H](C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)[C@@H]1CCOC1 ZINC000851840857 1291879195 /nfs/dbraw/zinc/87/91/95/1291879195.db2.gz JVMRIKISGLGBJO-ZIFCJYIRSA-N 1 1 335.444 2.425 10 10 EECEMO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852066672 1291980289 /nfs/dbraw/zinc/98/02/89/1291980289.db2.gz QJTXBRUULVIYKU-HOTGVXAUSA-N 1 1 348.491 2.303 10 10 EECEMO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(F)cc1O ZINC000858564995 1294155705 /nfs/dbraw/zinc/15/57/05/1294155705.db2.gz FGAOBMQZNUCXCP-YOEHRIQHSA-N 1 1 345.418 2.478 10 10 EECEMO COc1ccc(N2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)cc1 ZINC000847365325 1337983035 /nfs/dbraw/zinc/98/30/35/1337983035.db2.gz KGKDYBOQXAMPGK-INIZCTEOSA-N 1 1 331.460 2.076 10 10 EECEMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001655877158 1354188283 /nfs/dbraw/zinc/18/82/83/1354188283.db2.gz GNNXEFDPWUJBMU-RTBURBONSA-N 1 1 345.487 2.402 10 10 EECEMO CC[C@@H](C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1)OC ZINC001669935988 1356243748 /nfs/dbraw/zinc/24/37/48/1356243748.db2.gz KHDAWUPHQXWGST-DOMZBBRYSA-N 1 1 349.435 2.324 10 10 EECEMO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000825117991 788444905 /nfs/dbraw/zinc/44/49/05/788444905.db2.gz NMRHHJWVXUBPST-LLVKDONJSA-N 1 1 346.349 2.437 10 10 EECEMO Cc1cc(Br)c(O)c(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c1 ZINC000825130164 788449672 /nfs/dbraw/zinc/44/96/72/788449672.db2.gz OJLMFVBVZIHIMQ-RISCZKNCSA-N 1 1 344.249 2.435 10 10 EECEMO Cc1cc(Br)c(O)c(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c1 ZINC000825130164 788449678 /nfs/dbraw/zinc/44/96/78/788449678.db2.gz OJLMFVBVZIHIMQ-RISCZKNCSA-N 1 1 344.249 2.435 10 10 EECEMO c1cc(N2CCOCC2)ccc1C[NH2+]Cc1nnc2n1CCCCC2 ZINC000071831324 463434718 /nfs/dbraw/zinc/43/47/18/463434718.db2.gz CWPDIZRPLXAJIB-UHFFFAOYSA-N 1 1 341.459 2.131 10 10 EECEMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000284399358 464178723 /nfs/dbraw/zinc/17/87/23/464178723.db2.gz MZBNLWZQXSLTRS-AWEZNQCLSA-N 1 1 336.432 2.290 10 10 EECEMO Cc1cccc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)c1O ZINC000180095422 464240825 /nfs/dbraw/zinc/24/08/25/464240825.db2.gz JYAJRQULUYZWTA-UHFFFAOYSA-N 1 1 328.460 2.494 10 10 EECEMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000773732504 577361598 /nfs/dbraw/zinc/36/15/98/577361598.db2.gz CGULODMTQKIZDM-SFHVURJKSA-N 1 1 345.487 2.214 10 10 EECEMO COc1c(O)c(C[NH2+]C[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000774970076 577425115 /nfs/dbraw/zinc/42/51/15/577425115.db2.gz UXRPCNHMNKQTRN-LBPRGKRZSA-N 1 1 346.339 2.239 10 10 EECEMO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000770689671 577601818 /nfs/dbraw/zinc/60/18/18/577601818.db2.gz QXQGGEPUKKRQJG-QGZVFWFLSA-N 1 1 347.484 2.096 10 10 EECEMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](C(C)C)C1)cc2=O ZINC000755993544 577835897 /nfs/dbraw/zinc/83/58/97/577835897.db2.gz CXSKUQBXQBSQFS-LBPRGKRZSA-N 1 1 332.404 2.090 10 10 EECEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000756596338 577847378 /nfs/dbraw/zinc/84/73/78/577847378.db2.gz ZFPWMNFWRDQVRV-CYBMUJFWSA-N 1 1 341.407 2.359 10 10 EECEMO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cc(Br)cc(F)c2O)C1 ZINC000894843803 683182799 /nfs/dbraw/zinc/18/27/99/683182799.db2.gz YSBDQQZCWSXKPK-ZANVPECISA-N 1 1 329.213 2.430 10 10 EECEMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2cc(Br)cc(F)c2O)C1 ZINC000894843803 683182800 /nfs/dbraw/zinc/18/28/00/683182800.db2.gz YSBDQQZCWSXKPK-ZANVPECISA-N 1 1 329.213 2.430 10 10 EECEMO CC[C@@H]1[C@@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000865017940 1198047452 /nfs/dbraw/zinc/04/74/52/1198047452.db2.gz DOCYRXJELBTSJV-AYOQOUSVSA-N 1 1 345.487 2.431 10 10 EECEMO C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Br)cc1[O-] ZINC000925810309 1206156577 /nfs/dbraw/zinc/15/65/77/1206156577.db2.gz DVXPORXNXORHQE-NSHDSACASA-N 1 1 342.281 2.228 10 10 EECEMO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)cc2)CC1 ZINC000827680403 1248637641 /nfs/dbraw/zinc/63/76/41/1248637641.db2.gz SAXKRMAXZBJZOF-RDJZCZTQSA-N 1 1 345.487 2.388 10 10 EECEMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3cn(C)nn3)C2)c1O ZINC001198612219 1285251310 /nfs/dbraw/zinc/25/13/10/1285251310.db2.gz LODPXWKXZKMTFO-GFCCVEGCSA-N 1 1 332.379 2.242 10 10 EECEMO COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)[N@@H+](C)C3CC3)C2)cc1 ZINC000852190790 1292034643 /nfs/dbraw/zinc/03/46/43/1292034643.db2.gz HGHHFVNLSQTMMH-LSDHHAIUSA-N 1 1 346.475 2.056 10 10 EECEMO Cc1cccc(C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1O ZINC000856534998 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CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001655877156 1354188366 /nfs/dbraw/zinc/18/83/66/1354188366.db2.gz GNNXEFDPWUJBMU-OALUTQOASA-N 1 1 345.487 2.402 10 10 EECEMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1O ZINC000824632902 788250343 /nfs/dbraw/zinc/25/03/43/788250343.db2.gz TVBVPVVPACWBCU-GFCCVEGCSA-N 1 1 327.222 2.385 10 10 EECEMO COc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1O ZINC000824655433 788258425 /nfs/dbraw/zinc/25/84/25/788258425.db2.gz WJMQWEOUYRGYFI-DFBGVHRSSA-N 1 1 341.835 2.416 10 10 EECEMO Cc1cc(Br)cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)c1O ZINC000825130361 788450464 /nfs/dbraw/zinc/45/04/64/788450464.db2.gz WKYCVNFCQXANBB-FZMZJTMJSA-N 1 1 344.249 2.435 10 10 EECEMO COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000844401268 789067259 /nfs/dbraw/zinc/06/72/59/789067259.db2.gz IZPMMVRTJUZRSM-KRWDZBQOSA-N 1 1 333.432 2.046 10 10 EECEMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1 ZINC000788535297 807583399 /nfs/dbraw/zinc/58/33/99/807583399.db2.gz LULOFLDLJUWQGZ-HZMBPMFUSA-N 1 1 330.222 2.093 10 10 EECEMO C[NH+](C)[C@]1(C(=O)N2Cc3cccc(O)c3C2)COc2ccccc2C1 ZINC001520380285 1119152945 /nfs/dbraw/zinc/15/29/45/1119152945.db2.gz IHRAQDKLDXVJQN-FQEVSTJZSA-N 1 1 338.407 2.170 10 10 EECEMO Cc1cccc(C[NH+]2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)c1 ZINC001540411005 1124081878 /nfs/dbraw/zinc/08/18/78/1124081878.db2.gz SUGGNMDGSCETGY-UHFFFAOYSA-N 1 1 340.423 2.293 10 10 EECEMO O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000376751084 466930879 /nfs/dbraw/zinc/93/08/79/466930879.db2.gz NJEZOWSSQZOZKA-UHFFFAOYSA-N 1 1 344.864 2.046 10 10 EECEMO O=S(=O)(C1CC1)N1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000376751084 466930886 /nfs/dbraw/zinc/93/08/86/466930886.db2.gz NJEZOWSSQZOZKA-UHFFFAOYSA-N 1 1 344.864 2.046 10 10 EECEMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CC[C@@H]1N1CCN(C)CC1 ZINC000763343983 577719554 /nfs/dbraw/zinc/71/95/54/577719554.db2.gz ZNLSNKWNAQUULZ-UZLBHIALSA-N 1 1 343.515 2.339 10 10 EECEMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CC[C@@H]1N1CCN(C)CC1 ZINC000763343983 577719555 /nfs/dbraw/zinc/71/95/55/577719555.db2.gz ZNLSNKWNAQUULZ-UZLBHIALSA-N 1 1 343.515 2.339 10 10 EECEMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804734731 675610684 /nfs/dbraw/zinc/61/06/84/675610684.db2.gz XOKFFHZAWDIZNR-GFCCVEGCSA-N 1 1 327.222 2.255 10 10 EECEMO O=C(NCCCSc1nccs1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177854686 681551605 /nfs/dbraw/zinc/55/16/05/681551605.db2.gz RUIGJUAEMCUGBJ-GFCCVEGCSA-N 1 1 326.491 2.115 10 10 EECEMO COc1cc(C)cc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c1O ZINC000895439708 684601267 /nfs/dbraw/zinc/60/12/67/684601267.db2.gz IJFMBLRKTIMMIL-UHFFFAOYSA-N 1 1 332.404 2.011 10 10 EECEMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)C1 ZINC000897831058 691795972 /nfs/dbraw/zinc/79/59/72/691795972.db2.gz BQQBFLMQBXXJSL-KRWDZBQOSA-N 1 1 332.425 2.480 10 10 EECEMO CCCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486360778 1193847738 /nfs/dbraw/zinc/84/77/38/1193847738.db2.gz PZAFOIJVNBVTHF-OAHLLOKOSA-N 1 1 349.435 2.014 10 10 EECEMO CN1CCN(c2ccc(C[N@H+]3C[C@]4(C)COC[C@]4(C)C3)cc2)CC1 ZINC000827017589 1249242372 /nfs/dbraw/zinc/24/23/72/1249242372.db2.gz FXGJCFNJMCERSC-BGYRXZFFSA-N 1 1 329.488 2.297 10 10 EECEMO CN1CCN(c2ccc(C[N@@H+]3C[C@]4(C)COC[C@]4(C)C3)cc2)CC1 ZINC000827017589 1249242376 /nfs/dbraw/zinc/24/23/76/1249242376.db2.gz FXGJCFNJMCERSC-BGYRXZFFSA-N 1 1 329.488 2.297 10 10 EECEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(OC)CCSC2)c1 ZINC000903315236 1240233464 /nfs/dbraw/zinc/23/34/64/1240233464.db2.gz VCDBKRSGGYOSKI-BZNIZROVSA-N 1 1 325.430 2.352 10 10 EECEMO OC1CCN(c2ccc(C[NH2+]Cc3cn(C4CCC4)nn3)cc2)CC1 ZINC000850406590 1277216562 /nfs/dbraw/zinc/21/65/62/1277216562.db2.gz MPOPLUZCOGUXCV-UHFFFAOYSA-N 1 1 341.459 2.254 10 10 EECEMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)nc1 ZINC000858011828 1293987770 /nfs/dbraw/zinc/98/77/70/1293987770.db2.gz RRWZMFPFHHXFFQ-CQSZACIVSA-N 1 1 328.368 2.478 10 10 EECEMO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000858509704 1294138874 /nfs/dbraw/zinc/13/88/74/1294138874.db2.gz RVZSLTMQLIZWRS-BXUZGUMPSA-N 1 1 333.384 2.481 10 10 EECEMO COc1ccc(N2CCC[N@H+](Cc3cncc(OC)n3)CC2)cc1 ZINC000859086029 1294313678 /nfs/dbraw/zinc/31/36/78/1294313678.db2.gz GGMYOYNCTMAKHZ-UHFFFAOYSA-N 1 1 328.416 2.206 10 10 EECEMO COc1ccc(N2CCC[N@@H+](Cc3cncc(OC)n3)CC2)cc1 ZINC000859086029 1294313685 /nfs/dbraw/zinc/31/36/85/1294313685.db2.gz GGMYOYNCTMAKHZ-UHFFFAOYSA-N 1 1 328.416 2.206 10 10 EECEMO COc1cncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000859190085 1294344503 /nfs/dbraw/zinc/34/45/03/1294344503.db2.gz FPLMRMUJOOHTOB-INIZCTEOSA-N 1 1 329.400 2.372 10 10 EECEMO COc1cncc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000859190085 1294344508 /nfs/dbraw/zinc/34/45/08/1294344508.db2.gz FPLMRMUJOOHTOB-INIZCTEOSA-N 1 1 329.400 2.372 10 10 EECEMO COc1cncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000859190087 1294345108 /nfs/dbraw/zinc/34/51/08/1294345108.db2.gz FPLMRMUJOOHTOB-MRXNPFEDSA-N 1 1 329.400 2.372 10 10 EECEMO COc1cncc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000859190087 1294345116 /nfs/dbraw/zinc/34/51/16/1294345116.db2.gz FPLMRMUJOOHTOB-MRXNPFEDSA-N 1 1 329.400 2.372 10 10 EECEMO C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C(=O)[O-] ZINC001332338630 1335805547 /nfs/dbraw/zinc/80/55/47/1335805547.db2.gz GZWAZRNIFACETD-HOCLYGCPSA-N 1 1 349.450 2.120 10 10 EECEMO C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C(=O)[O-] ZINC001332338630 1335805549 /nfs/dbraw/zinc/80/55/49/1335805549.db2.gz GZWAZRNIFACETD-HOCLYGCPSA-N 1 1 349.450 2.120 10 10 EECEMO CO[C@@](C)(CO)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000848559260 1338721733 /nfs/dbraw/zinc/72/17/33/1338721733.db2.gz RFRQFSDLOIJDOW-ISVAXAHUSA-N 1 1 336.201 2.342 10 10 EECEMO C[C@@H](NC(=O)CC[N@H+]1CC[C@H](F)C1)c1ccc(N2CCOCC2)cc1 ZINC001597915654 1349933388 /nfs/dbraw/zinc/93/33/88/1349933388.db2.gz RXKDIRLBGQWVSF-WBVHZDCISA-N 1 1 349.450 2.134 10 10 EECEMO CN1CCN(c2ccc(C[NH2+]CC3(CF)CCOCC3)cc2)CC1 ZINC000824795414 788321698 /nfs/dbraw/zinc/32/16/98/788321698.db2.gz YPJVSUWIBAQBQP-UHFFFAOYSA-N 1 1 335.467 2.294 10 10 EECEMO C[C@H]1[C@@H](NC(=O)NCc2cc(Br)ccc2O)CC[N@H+]1C ZINC000925344852 793656310 /nfs/dbraw/zinc/65/63/10/793656310.db2.gz RJYOOGITZRWLMN-CABZTGNLSA-N 1 1 342.237 2.047 10 10 EECEMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1C ZINC000042668005 463585965 /nfs/dbraw/zinc/58/59/65/463585965.db2.gz QBLGPVBQPAXKTL-MRXNPFEDSA-N 1 1 332.444 2.080 10 10 EECEMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000285095692 464452607 /nfs/dbraw/zinc/45/26/07/464452607.db2.gz MYTSVVMQWLVELF-OAHLLOKOSA-N 1 1 348.468 2.401 10 10 EECEMO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294509070 464521803 /nfs/dbraw/zinc/52/18/03/464521803.db2.gz BYJSIHCMXJKIQV-YPMHNXCESA-N 1 1 347.814 2.031 10 10 EECEMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294509070 464521805 /nfs/dbraw/zinc/52/18/05/464521805.db2.gz BYJSIHCMXJKIQV-YPMHNXCESA-N 1 1 347.814 2.031 10 10 EECEMO COC(=O)/C=C/c1ccc(N(C)[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000266063657 464763541 /nfs/dbraw/zinc/76/35/41/464763541.db2.gz ZOVZPGWWXLTRJN-KGXGESDWSA-N 1 1 333.388 2.311 10 10 EECEMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000248837141 464807547 /nfs/dbraw/zinc/80/75/47/464807547.db2.gz MSYSOVBWBLWDBP-UHOSZYNNSA-N 1 1 344.455 2.297 10 10 EECEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOCC2)C1 ZINC000436451684 467537451 /nfs/dbraw/zinc/53/74/51/467537451.db2.gz BCXBDVIEPYUDSY-UHFFFAOYSA-N 1 1 341.455 2.267 10 10 EECEMO COc1c(O)c(C[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000775028564 577426956 /nfs/dbraw/zinc/42/69/56/577426956.db2.gz DIQSGBXCRJGMBO-JTQLQIEISA-N 1 1 348.403 2.380 10 10 EECEMO Cc1cc(Cl)cc(C[NH+]2CCN(Cc3nccn3C)CC2)c1O ZINC000775680878 577442637 /nfs/dbraw/zinc/44/26/37/577442637.db2.gz JZRXGYINDVYKQU-UHFFFAOYSA-N 1 1 334.851 2.405 10 10 EECEMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccs3)C1)[C@H](O)CO2 ZINC000768464746 577556438 /nfs/dbraw/zinc/55/64/38/577556438.db2.gz TVFAGVNYCCMCEN-ZBFHGGJFSA-N 1 1 333.409 2.453 10 10 EECEMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccs3)C1)[C@H](O)CO2 ZINC000768464746 577556439 /nfs/dbraw/zinc/55/64/39/577556439.db2.gz TVFAGVNYCCMCEN-ZBFHGGJFSA-N 1 1 333.409 2.453 10 10 EECEMO C[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000769468086 577578679 /nfs/dbraw/zinc/57/86/79/577578679.db2.gz ADUKAQNEZGQSGK-SNVBAGLBSA-N 1 1 348.262 2.021 10 10 EECEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2c(C)nn(C)c2C)c1 ZINC000756378829 577842923 /nfs/dbraw/zinc/84/29/23/577842923.db2.gz HAJMCLRMPSDJJK-NSHDSACASA-N 1 1 331.416 2.422 10 10 EECEMO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(F)cc(F)c1O ZINC000756737303 577849547 /nfs/dbraw/zinc/84/95/47/577849547.db2.gz SLZIGOWNUPHOMY-BONVTDFDSA-N 1 1 340.370 2.101 10 10 EECEMO COc1cc(C)cc(C[N@H+]2CCc3nc[nH]c3C23CCOCC3)c1O ZINC000895070951 683697165 /nfs/dbraw/zinc/69/71/65/683697165.db2.gz VIHUXXWGWXVAES-UHFFFAOYSA-N 1 1 343.427 2.496 10 10 EECEMO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1N=NC(=O)N1C ZINC000895175625 684216930 /nfs/dbraw/zinc/21/69/30/684216930.db2.gz OEWNFMIJTZMVRE-SECBINFHSA-N 1 1 343.353 2.456 10 10 EECEMO CN1CCN(c2ccc(C[NH2+]C3CC(n4cccn4)C3)cc2)CC1 ZINC000895607643 684661346 /nfs/dbraw/zinc/66/13/46/684661346.db2.gz SEFCNZAKCYZFOL-UHFFFAOYSA-N 1 1 325.460 2.128 10 10 EECEMO Cc1cc(O)c(C[NH+]2CCN(Cc3cnn(C)c3)CC2)c(Cl)c1 ZINC000840914125 684833924 /nfs/dbraw/zinc/83/39/24/684833924.db2.gz PCZWNWJYCRGTPC-UHFFFAOYSA-N 1 1 334.851 2.405 10 10 EECEMO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCCN2C)cc1C ZINC001482319948 1185335767 /nfs/dbraw/zinc/33/57/67/1185335767.db2.gz QNAMGBQWCOLKDV-WMZOPIPTSA-N 1 1 347.503 2.424 10 10 EECEMO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)c2cnn[nH]2)cc1C ZINC001271279436 1186119143 /nfs/dbraw/zinc/11/91/43/1186119143.db2.gz ZTUOPBVBDBIMQA-HNNXBMFYSA-N 1 1 345.447 2.056 10 10 EECEMO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000932054345 1207525291 /nfs/dbraw/zinc/52/52/91/1207525291.db2.gz QFIQXBQKEFAKLX-CEXWTWQISA-N 1 1 344.455 2.154 10 10 EECEMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188753060 1208811769 /nfs/dbraw/zinc/81/17/69/1208811769.db2.gz YXOTWYGBHUAKTK-HNNXBMFYSA-N 1 1 347.484 2.294 10 10 EECEMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188753060 1208811772 /nfs/dbraw/zinc/81/17/72/1208811772.db2.gz YXOTWYGBHUAKTK-HNNXBMFYSA-N 1 1 347.484 2.294 10 10 EECEMO C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1cc(Cl)c(Cl)cc1O ZINC000903280180 1240165958 /nfs/dbraw/zinc/16/59/58/1240165958.db2.gz TVLJZIJNXKIXBA-BMIGLBTASA-N 1 1 349.258 2.043 10 10 EECEMO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000852064849 1291979473 /nfs/dbraw/zinc/97/94/73/1291979473.db2.gz SCVMXQCRUXKTGT-MRXNPFEDSA-N 1 1 348.491 2.303 10 10 EECEMO COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C)[N@@H+](C)C3CC3)C2)cc1 ZINC000852190789 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EECEMO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)c2nc[nH]n2)cc1C ZINC001319631560 1332731432 /nfs/dbraw/zinc/73/14/32/1332731432.db2.gz PIJPVCSTAZDHKH-HNNXBMFYSA-N 1 1 345.447 2.056 10 10 EECEMO O=C(NCc1cc(O)ccc1O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001651223012 1354045078 /nfs/dbraw/zinc/04/50/78/1354045078.db2.gz WFGULIKJVUFYBL-HNNXBMFYSA-N 1 1 341.411 2.021 10 10 EECEMO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000819698806 785646306 /nfs/dbraw/zinc/64/63/06/785646306.db2.gz SNCPNMQUEIPIQU-GJZGRUSLSA-N 1 1 348.443 2.014 10 10 EECEMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c1O ZINC000824455596 788192027 /nfs/dbraw/zinc/19/20/27/788192027.db2.gz UZTULKIHTPPTPP-NSHDSACASA-N 1 1 340.807 2.328 10 10 EECEMO C[C@@H]1[C@H](NC(=O)NCc2cc(Br)ccc2O)CC[N@H+]1C ZINC000925344851 793656116 /nfs/dbraw/zinc/65/61/16/793656116.db2.gz RJYOOGITZRWLMN-BXKDBHETSA-N 1 1 342.237 2.047 10 10 EECEMO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001480596739 1106735875 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CCN1CCN(c2ccc(CN[C@@H]3CC[NH2+]C34CCC4)cc2F)CC1 ZINC000925557884 1206127944 /nfs/dbraw/zinc/12/79/44/1206127944.db2.gz PHXNOXLYPXEYBP-LJQANCHMSA-N 1 1 346.494 2.342 10 10 EECEMO COc1cc(Cl)cc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1O ZINC000827699475 1248655474 /nfs/dbraw/zinc/65/54/74/1248655474.db2.gz HUQNSBBCKPNFPS-HNNXBMFYSA-N 1 1 340.851 2.085 10 10 EECEMO Cc1cc(C[NH+]2CCN(C[C@@H](C)O)CC2)ccc1N1CCCCC1 ZINC000827667921 1248627182 /nfs/dbraw/zinc/62/71/82/1248627182.db2.gz NJGMPHYJJZEUTI-GOSISDBHSA-N 1 1 331.504 2.484 10 10 EECEMO COc1ccc(N2CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C3CC3)C2)cc1 ZINC000854299065 1292709883 /nfs/dbraw/zinc/70/98/83/1292709883.db2.gz KLURPBKMMAAAEA-OAHLLOKOSA-N 1 1 346.475 2.010 10 10 EECEMO COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C3CC3)C2)cc1 ZINC000855226518 1293118525 /nfs/dbraw/zinc/11/85/25/1293118525.db2.gz QFVGMKPCNICGLE-RDTXWAMCSA-N 1 1 329.444 2.017 10 10 EECEMO CCOc1cccc(C[NH2+]C(c2ccnn2C)c2ccnn2C)c1O ZINC000858322219 1294082620 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10 10 EECEMO CCOc1cccc(C[N@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)c1O ZINC000843432586 1315914649 /nfs/dbraw/zinc/91/46/49/1315914649.db2.gz NUPIMTPAOAAWNF-OAHLLOKOSA-N 1 1 346.349 2.291 10 10 EECEMO COc1ccc(C[NH2+][C@H](CNC(=O)CN2CCCC2)C2CC2)cc1C ZINC001265380952 1323108766 /nfs/dbraw/zinc/10/87/66/1323108766.db2.gz XEMLJRVUZDDVMP-GOSISDBHSA-N 1 1 345.487 2.084 10 10 EECEMO C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000816921842 784335426 /nfs/dbraw/zinc/33/54/26/784335426.db2.gz IOMNPOGZHGRYMI-RDJZCZTQSA-N 1 1 332.444 2.242 10 10 EECEMO CC1(C)CCC[N@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000170872879 791108780 /nfs/dbraw/zinc/10/87/80/791108780.db2.gz AWTKYFWCLFKKFC-UHFFFAOYSA-N 1 1 349.450 2.153 10 10 EECEMO O=S1(=O)CCC(CC[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790982125 809028138 /nfs/dbraw/zinc/02/81/38/809028138.db2.gz QRMFDMVLDWJIRD-UHFFFAOYSA-N 1 1 335.828 2.489 10 10 EECEMO CC[N@@H+]1CC[C@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001464311886 1110391515 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329.488 2.486 10 10 EECEMO CN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000375792966 466876124 /nfs/dbraw/zinc/87/61/24/466876124.db2.gz RMFXJZCHCFHWGR-UFYCRDLUSA-N 1 1 329.488 2.486 10 10 EECEMO COC1CN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000444258682 467582324 /nfs/dbraw/zinc/58/23/24/467582324.db2.gz KAFPAYCOOSWHRK-UHFFFAOYSA-N 1 1 341.455 2.265 10 10 EECEMO CN(C)c1ccc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c(C(F)(F)F)c1 ZINC000280517881 490719147 /nfs/dbraw/zinc/71/91/47/490719147.db2.gz HJPPALUTSAVOGT-INIZCTEOSA-N 1 1 341.377 2.483 10 10 EECEMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000291646214 534233218 /nfs/dbraw/zinc/23/32/18/534233218.db2.gz JGLAWMIHUFJNJF-KPZWWZAWSA-N 1 1 338.423 2.358 10 10 EECEMO COc1cc(C)cc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)c1O ZINC000766670540 577523122 /nfs/dbraw/zinc/52/31/22/577523122.db2.gz RKOJMCJHWAASTJ-AWEZNQCLSA-N 1 1 327.446 2.108 10 10 EECEMO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1cc(Br)c(F)cc1O ZINC000756511414 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C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(F)cc(F)c1O ZINC000756737302 577849576 /nfs/dbraw/zinc/84/95/76/577849576.db2.gz SLZIGOWNUPHOMY-BMIGLBTASA-N 1 1 340.370 2.101 10 10 EECEMO COC(=O)/C=C\c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000255891613 681811213 /nfs/dbraw/zinc/81/12/13/681811213.db2.gz PHOZVLUFLDCFBI-BRLPQQTGSA-N 1 1 331.372 2.065 10 10 EECEMO Cc1cc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)ccc1N(C)C ZINC000815014519 1197829010 /nfs/dbraw/zinc/82/90/10/1197829010.db2.gz QTUAZPXTJBNSCC-SFHVURJKSA-N 1 1 345.487 2.132 10 10 EECEMO COC(=O)/C=C/c1ccc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866209231 1201465429 /nfs/dbraw/zinc/46/54/29/1201465429.db2.gz ZRQXZPVOVIWWMJ-UNCXAERMSA-N 1 1 345.399 2.311 10 10 EECEMO COc1ccc(N2CC[NH+](Cc3cc(C)nnc3C)CC2)c(OC)c1 ZINC000931531011 1207406741 /nfs/dbraw/zinc/40/67/41/1207406741.db2.gz VXSGLGIFJHUAGP-UHFFFAOYSA-N 1 1 342.443 2.433 10 10 EECEMO CCCC[N@H+](Cc1ccccc1O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000801595117 1235881907 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ROXAKJCGMYQYCX-UHFFFAOYSA-N 1 1 326.396 2.448 10 10 EECEMO COc1cccc([C@H](C)[NH2+]C(c2ccnn2C)c2ccnn2C)c1O ZINC000858585752 1294160373 /nfs/dbraw/zinc/16/03/73/1294160373.db2.gz OGWUNSZUJJLZKS-LBPRGKRZSA-N 1 1 341.415 2.308 10 10 EECEMO CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@]4(CO)C3)cc2)CC1 ZINC000862529357 1295869189 /nfs/dbraw/zinc/86/91/89/1295869189.db2.gz SMXMELSQXAPYRF-AZUAARDMSA-N 1 1 329.488 2.033 10 10 EECEMO CN1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@]4(CO)C3)cc2)CC1 ZINC000862529357 1295869202 /nfs/dbraw/zinc/86/92/02/1295869202.db2.gz SMXMELSQXAPYRF-AZUAARDMSA-N 1 1 329.488 2.033 10 10 EECEMO OC[C@]1(O)CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000839152876 1315203572 /nfs/dbraw/zinc/20/35/72/1315203572.db2.gz CCUNORPJLXDGOQ-FQEVSTJZSA-N 1 1 343.423 2.290 10 10 EECEMO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000840270932 1315341427 /nfs/dbraw/zinc/34/14/27/1315341427.db2.gz XOSWRJBMLMYKBF-QAPCUYQASA-N 1 1 332.492 2.385 10 10 EECEMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cccc(Br)c1[O-] ZINC000841891608 1315631048 /nfs/dbraw/zinc/63/10/48/1315631048.db2.gz MOQPFNVILMTNQE-RYUDHWBXSA-N 1 1 343.265 2.042 10 10 EECEMO CN(C)c1ccnc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)n1 ZINC001320260356 1332853354 /nfs/dbraw/zinc/85/33/54/1332853354.db2.gz YFVLCZCPZKINTA-UHFFFAOYSA-N 1 1 344.438 2.046 10 10 EECEMO CC(C)N(CC[N@@H+](C)CCCO)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001332740678 1335895595 /nfs/dbraw/zinc/89/55/95/1335895595.db2.gz QHNGXSBEGOOLPC-UHFFFAOYSA-N 1 1 349.435 2.014 10 10 EECEMO O=C(NCCCSc1nccs1)N1CC[NH+](C2CC2)CC1 ZINC000154633167 768882824 /nfs/dbraw/zinc/88/28/24/768882824.db2.gz HQOLPCFHXGPWKX-UHFFFAOYSA-N 1 1 326.491 2.115 10 10 EECEMO C[N@H+](Cc1cccc(Br)c1O)[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501622 788209207 /nfs/dbraw/zinc/20/92/07/788209207.db2.gz QMCFIBRGKOZTHC-KGLIPLIRSA-N 1 1 341.249 2.060 10 10 EECEMO C[N@@H+](Cc1cccc(Br)c1O)[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501622 788209213 /nfs/dbraw/zinc/20/92/13/788209213.db2.gz QMCFIBRGKOZTHC-KGLIPLIRSA-N 1 1 341.249 2.060 10 10 EECEMO Cc1cc(Br)c(O)c(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c1 ZINC000825130163 788450005 /nfs/dbraw/zinc/45/00/05/788450005.db2.gz OJLMFVBVZIHIMQ-FZMZJTMJSA-N 1 1 344.249 2.435 10 10 EECEMO Cc1cc(Br)c(O)c(C[N@H+](CCO)[C@H]2CCO[C@H]2C)c1 ZINC000825130163 788450012 /nfs/dbraw/zinc/45/00/12/788450012.db2.gz OJLMFVBVZIHIMQ-FZMZJTMJSA-N 1 1 344.249 2.435 10 10 EECEMO COc1c(O)c(C[NH2+][C@@H]2CNc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000844905766 789445197 /nfs/dbraw/zinc/44/51/97/789445197.db2.gz NNUNOZKPGGTPPU-ZDUSSCGKSA-N 1 1 329.356 2.435 10 10 EECEMO COc1ccc(N2CC[NH+](CCNC(=O)N3[C@H](C)C[C@H]3C)CC2)cc1 ZINC000792056652 809554387 /nfs/dbraw/zinc/55/43/87/809554387.db2.gz DFOAQGVERPCXKG-HZPDHXFCSA-N 1 1 346.475 2.010 10 10 EECEMO C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)[N@H+]1CCc2ccccc2C1 ZINC001464638165 1110399542 /nfs/dbraw/zinc/39/95/42/1110399542.db2.gz GTHPYAPTJIIBPR-CQSZACIVSA-N 1 1 340.423 2.203 10 10 EECEMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000092096093 533441168 /nfs/dbraw/zinc/44/11/68/533441168.db2.gz XTMPVTLPWGCVNL-VAMGGRTRSA-N 1 1 346.471 2.292 10 10 EECEMO Cc1nc(CN2CCC[N@H+](Cc3ccc(N(C)C)cc3)CC2)no1 ZINC000179212358 464082944 /nfs/dbraw/zinc/08/29/44/464082944.db2.gz FHDFPADJLLTCQC-UHFFFAOYSA-N 1 1 329.448 2.152 10 10 EECEMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294509053 464521986 /nfs/dbraw/zinc/52/19/86/464521986.db2.gz BYJSIHCMXJKIQV-DGCLKSJQSA-N 1 1 347.814 2.031 10 10 EECEMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294509053 464521992 /nfs/dbraw/zinc/52/19/92/464521992.db2.gz BYJSIHCMXJKIQV-DGCLKSJQSA-N 1 1 347.814 2.031 10 10 EECEMO COc1c(O)c(C[NH2+]Cc2cccnc2N(C)C)ccc1[N+](=O)[O-] ZINC000774960762 577424728 /nfs/dbraw/zinc/42/47/28/577424728.db2.gz HXCGQKFPZVGCMX-UHFFFAOYSA-N 1 1 332.360 2.060 10 10 EECEMO COc1c(O)c(C[NH2+]CC[C@@H](OC)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000775108926 577429989 /nfs/dbraw/zinc/42/99/89/577429989.db2.gz RGDZPEUMUTULSP-SNVBAGLBSA-N 1 1 338.282 2.366 10 10 EECEMO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000740867041 578108461 /nfs/dbraw/zinc/10/84/61/578108461.db2.gz LCWSYBCUDFSICK-LBPRGKRZSA-N 1 1 341.473 2.262 10 10 EECEMO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000740867041 578108462 /nfs/dbraw/zinc/10/84/62/578108462.db2.gz LCWSYBCUDFSICK-LBPRGKRZSA-N 1 1 341.473 2.262 10 10 EECEMO C[N@H+]1CCCC[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804734732 675610595 /nfs/dbraw/zinc/61/05/95/675610595.db2.gz XOKFFHZAWDIZNR-LBPRGKRZSA-N 1 1 327.222 2.255 10 10 EECEMO COc1ccc(C[NH2+]C[C@H]2C[C@@H](c3nc(C)n[nH]3)C[C@H]2O)cc1C ZINC000888076194 678674093 /nfs/dbraw/zinc/67/40/93/678674093.db2.gz HHINSGIFXDZEKC-BZUAXINKSA-N 1 1 330.432 2.074 10 10 EECEMO COc1ccc(C[NH2+]C[C@H]2C[C@@H](c3nnc(C)[nH]3)C[C@H]2O)cc1C ZINC000888076194 678674095 /nfs/dbraw/zinc/67/40/95/678674095.db2.gz HHINSGIFXDZEKC-BZUAXINKSA-N 1 1 330.432 2.074 10 10 EECEMO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2[nH]nc(C)c2C)cc1C ZINC001266929073 1177826067 /nfs/dbraw/zinc/82/60/67/1177826067.db2.gz AMZKWCIWLAACCQ-LBPRGKRZSA-N 1 1 330.432 2.252 10 10 EECEMO CCC[N@H+](Cc1ccccc1O)C[C@H]1CN=C(c2cnn(C)c2)O1 ZINC000929753642 1206498380 /nfs/dbraw/zinc/49/83/80/1206498380.db2.gz TWAYQZIIIFAROX-MRXNPFEDSA-N 1 1 328.416 2.183 10 10 EECEMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2c(O)ccc(Cl)c2F)n1 ZINC000858327927 1294085070 /nfs/dbraw/zinc/08/50/70/1294085070.db2.gz CNUAROGBLQHWPZ-GXFFZTMASA-N 1 1 327.743 2.496 10 10 EECEMO C[N@@H+](Cc1c(O)cccc1Br)[C@H]1CCN2CCO[C@H]1C2 ZINC000862382538 1295816324 /nfs/dbraw/zinc/81/63/24/1295816324.db2.gz UTWANHMLVHVIIJ-ZFWWWQNUSA-N 1 1 341.249 2.060 10 10 EECEMO C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)[N@@H+](C)Cc1ccccc1 ZINC001293471519 1328727132 /nfs/dbraw/zinc/72/71/32/1328727132.db2.gz WGBJTASJHBGNFH-AWEZNQCLSA-N 1 1 328.412 2.277 10 10 EECEMO COC(=O)/C=C\c1ccc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001655630140 1354180201 /nfs/dbraw/zinc/18/02/01/1354180201.db2.gz XDUPCTGQEWJFNH-VASHYATMSA-N 1 1 345.399 2.169 10 10 EECEMO COc1ccc(C[NH2+][C@@H](CNC(=O)CN2CCCC2)C(C)C)cc1C ZINC001667519614 1355753789 /nfs/dbraw/zinc/75/37/89/1355753789.db2.gz JUERKFGZJCACJG-SFHVURJKSA-N 1 1 347.503 2.330 10 10 EECEMO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000824455085 788191284 /nfs/dbraw/zinc/19/12/84/788191284.db2.gz ODKAHJKBGPWVGL-SNVBAGLBSA-N 1 1 328.771 2.459 10 10 EECEMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000824455085 788191298 /nfs/dbraw/zinc/19/12/98/788191298.db2.gz ODKAHJKBGPWVGL-SNVBAGLBSA-N 1 1 328.771 2.459 10 10 EECEMO Oc1cc2c(cc1C[NH+]1CCC(CN3CCOCC3)CC1)CCC2 ZINC000054518665 793951149 /nfs/dbraw/zinc/95/11/49/793951149.db2.gz LSHGCNAGNPXSGV-UHFFFAOYSA-N 1 1 330.472 2.425 10 10 EECEMO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000788973810 807786668 /nfs/dbraw/zinc/78/66/68/807786668.db2.gz XWQVHUSXPIRFKX-JTQLQIEISA-N 1 1 329.238 2.420 10 10 EECEMO C[C@H](O)C[N@H+]1CCN(Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000245705965 464507799 /nfs/dbraw/zinc/50/77/99/464507799.db2.gz FACJTOGEKGVRSM-RYUDHWBXSA-N 1 1 343.265 2.042 10 10 EECEMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1F ZINC000368041856 466571687 /nfs/dbraw/zinc/57/16/87/466571687.db2.gz MBBQBUFAJAAVCT-CQSZACIVSA-N 1 1 329.423 2.644 10 10 EECEMO COC(=O)c1c(C[NH2+]C[C@@H]2CC(C)=NO2)c2cc(F)ccc2n1C ZINC000895300042 684465341 /nfs/dbraw/zinc/46/53/41/684465341.db2.gz RQZODPOXEMSZST-LBPRGKRZSA-N 1 1 333.363 2.358 10 10 EECEMO O=C(NCc1cc(Br)ccc1O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000897748566 691764672 /nfs/dbraw/zinc/76/46/72/691764672.db2.gz WTQDVNXZFUMPBT-HNNXBMFYSA-N 1 1 339.233 2.257 10 10 EECEMO COCCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481754233 1182555026 /nfs/dbraw/zinc/55/50/26/1182555026.db2.gz KUHSHOVISLZQBP-OAHLLOKOSA-N 1 1 347.419 2.032 10 10 EECEMO COc1ccc(CNC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c(O)c1 ZINC000869106334 1201940833 /nfs/dbraw/zinc/94/08/33/1201940833.db2.gz FKPLISFZDIJZBR-KRWDZBQOSA-N 1 1 341.411 2.387 10 10 EECEMO COc1ccc(CNC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c(O)c1 ZINC000869106334 1201940835 /nfs/dbraw/zinc/94/08/35/1201940835.db2.gz FKPLISFZDIJZBR-KRWDZBQOSA-N 1 1 341.411 2.387 10 10 EECEMO Oc1ccccc1C[N@@H+](Cc1[nH]nc2c1COCC2)C[C@@H]1CCCO1 ZINC000929969452 1206523162 /nfs/dbraw/zinc/52/31/62/1206523162.db2.gz AKLACDQHQYDDRS-HNNXBMFYSA-N 1 1 343.427 2.369 10 10 EECEMO Oc1ccccc1C[N@H+](Cc1[nH]nc2c1COCC2)C[C@@H]1CCCO1 ZINC000929969452 1206523164 /nfs/dbraw/zinc/52/31/64/1206523164.db2.gz AKLACDQHQYDDRS-HNNXBMFYSA-N 1 1 343.427 2.369 10 10 EECEMO CC(=O)c1cc(F)cc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c1O ZINC000932762384 1207672829 /nfs/dbraw/zinc/67/28/29/1207672829.db2.gz LZMZKBQJDTZRNK-UHFFFAOYSA-N 1 1 336.363 2.198 10 10 EECEMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000827544653 1248407264 /nfs/dbraw/zinc/40/72/64/1248407264.db2.gz HHYHIKBVKZZCBG-IPLHWJFFSA-N 1 1 330.476 2.454 10 10 EECEMO COC(=O)[C@]12C[N@@H+](Cc3ccc(N(C)C)cc3C)C[C@H]1COCC2 ZINC000840940721 1315441824 /nfs/dbraw/zinc/44/18/24/1315441824.db2.gz CSFUXZCSXXCSIC-QFBILLFUSA-N 1 1 332.444 2.073 10 10 EECEMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001160609963 1320211518 /nfs/dbraw/zinc/21/15/18/1320211518.db2.gz OHULYTJDEVIZIF-UHFFFAOYSA-N 1 1 343.427 2.016 10 10 EECEMO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cnc(C)[nH]2)cc1C ZINC001319437824 1332701421 /nfs/dbraw/zinc/70/14/21/1332701421.db2.gz XAZKHSOIDMKMFE-ZDUSSCGKSA-N 1 1 330.432 2.285 10 10 EECEMO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCCN2C)cc1C ZINC001321563816 1333125151 /nfs/dbraw/zinc/12/51/51/1333125151.db2.gz NZKWQGFUQINDKW-NVXWUHKLSA-N 1 1 333.476 2.082 10 10 EECEMO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[NH+](C)CC2)CCCC1 ZINC001628448335 1352534310 /nfs/dbraw/zinc/53/43/10/1352534310.db2.gz UGDIKXXMYWPGBU-UHFFFAOYSA-N 1 1 341.455 2.303 10 10 EECEMO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001632049655 1352592870 /nfs/dbraw/zinc/59/28/70/1352592870.db2.gz NAUPRQFNSSMERK-SFHVURJKSA-N 1 1 333.476 2.464 10 10 EECEMO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)Cc2ccccc2O)s1 ZINC000822739473 787361178 /nfs/dbraw/zinc/36/11/78/787361178.db2.gz DURLUBDIGXAKOS-UHFFFAOYSA-N 1 1 340.470 2.336 10 10 EECEMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)Cc2ccccc2O)s1 ZINC000822739473 787361184 /nfs/dbraw/zinc/36/11/84/787361184.db2.gz DURLUBDIGXAKOS-UHFFFAOYSA-N 1 1 340.470 2.336 10 10 EECEMO COc1ccc(N(C)CC[N@H+](C)CN2C[C@@H]3CCC[C@@H]3C2=O)cc1 ZINC000844725510 789328961 /nfs/dbraw/zinc/32/89/61/789328961.db2.gz LCJAJMSGLGMELV-YJBOKZPZSA-N 1 1 331.460 2.279 10 10 EECEMO COc1ccc(N(C)CC[N@@H+](C)CN2C[C@@H]3CCC[C@@H]3C2=O)cc1 ZINC000844725510 789328971 /nfs/dbraw/zinc/32/89/71/789328971.db2.gz LCJAJMSGLGMELV-YJBOKZPZSA-N 1 1 331.460 2.279 10 10 EECEMO CC[N@@H+](C)[C@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001458718186 1109947426 /nfs/dbraw/zinc/94/74/26/1109947426.db2.gz KLWBIUKPPRESKT-QPBFKRLHSA-N 1 1 333.388 2.311 10 10 EECEMO CN(C)c1ccc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000121538307 463153107 /nfs/dbraw/zinc/15/31/07/463153107.db2.gz MOISAYPPBAHIAT-UHFFFAOYSA-N 1 1 327.476 2.194 10 10 EECEMO C[C@H]1CC[C@@](CO)([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000187929680 464174560 /nfs/dbraw/zinc/17/45/60/464174560.db2.gz SPWKQZDNDWRXGT-OXJNMPFZSA-N 1 1 347.503 2.194 10 10 EECEMO COc1ccc(O)c(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000180079122 464237306 /nfs/dbraw/zinc/23/73/06/464237306.db2.gz ZZZADFODAAMQRK-OAHLLOKOSA-N 1 1 328.416 2.292 10 10 EECEMO CC[C@H](O)C[NH+]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177194581 464955034 /nfs/dbraw/zinc/95/50/34/464955034.db2.gz LCFWUAGXLJULAI-HNNXBMFYSA-N 1 1 340.851 2.137 10 10 EECEMO CC(C)N1C(=O)C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000769459308 577578255 /nfs/dbraw/zinc/57/82/55/577578255.db2.gz BWVMWYLESVPIPT-UHFFFAOYSA-N 1 1 345.487 2.354 10 10 EECEMO CC(C)N1C(=O)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000769459308 577578256 /nfs/dbraw/zinc/57/82/56/577578256.db2.gz BWVMWYLESVPIPT-UHFFFAOYSA-N 1 1 345.487 2.354 10 10 EECEMO COc1cccc(CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1O ZINC000745807364 577918935 /nfs/dbraw/zinc/91/89/35/577918935.db2.gz BEFRRJTYVIQJFT-OKILXGFUSA-N 1 1 335.448 2.463 10 10 EECEMO CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000741092106 578112890 /nfs/dbraw/zinc/11/28/90/578112890.db2.gz VESPCDLORGBTIX-LJQANCHMSA-N 1 1 340.471 2.441 10 10 EECEMO COC(=O)c1c(C[N@H+]2CCC3(COC3)C2)c2cc(F)ccc2n1C ZINC000895335500 684504434 /nfs/dbraw/zinc/50/44/34/684504434.db2.gz OTDUSFPBIIPEKA-UHFFFAOYSA-N 1 1 332.375 2.326 10 10 EECEMO CC(C)(C)c1cc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000895368568 684552150 /nfs/dbraw/zinc/55/21/50/684552150.db2.gz SQAWLYOGJLQKDQ-ZBFHGGJFSA-N 1 1 348.487 2.408 10 10 EECEMO CC(C)(C)c1cc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000895368568 684552152 /nfs/dbraw/zinc/55/21/52/684552152.db2.gz SQAWLYOGJLQKDQ-ZBFHGGJFSA-N 1 1 348.487 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C[N@@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C[C@@H]1CCCCO1 ZINC001267233563 1178560264 /nfs/dbraw/zinc/56/02/64/1178560264.db2.gz QIHGRZNPLNHPBE-HNNXBMFYSA-N 1 1 347.419 2.080 10 10 EECEMO COc1cc(C[N@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c(O)cc1C ZINC000905702409 1189872960 /nfs/dbraw/zinc/87/29/60/1189872960.db2.gz VXIIVOFQXIXSCL-KBXCAEBGSA-N 1 1 334.416 2.420 10 10 EECEMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000795586415 1214388729 /nfs/dbraw/zinc/38/87/29/1214388729.db2.gz YYADMUURZUQNJP-AAEUAGOBSA-N 1 1 344.249 2.198 10 10 EECEMO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000854300471 1292711179 /nfs/dbraw/zinc/71/11/79/1292711179.db2.gz UEUIYVZQUBVTLE-MRXNPFEDSA-N 1 1 346.475 2.011 10 10 EECEMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1c(O)cccc1Br ZINC000862387369 1295820176 /nfs/dbraw/zinc/82/01/76/1295820176.db2.gz KPPMGDYYCKYLPG-ZWNOBZJWSA-N 1 1 330.222 2.126 10 10 EECEMO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000839675146 1315230511 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EECEMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000790999802 809018602 /nfs/dbraw/zinc/01/86/02/809018602.db2.gz JFPRUCSHZUYCKL-SECBINFHSA-N 1 1 328.128 2.476 10 10 EECEMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000793608577 810435659 /nfs/dbraw/zinc/43/56/59/810435659.db2.gz IESUNJRESXVGRE-IBGZPJMESA-N 1 1 345.487 2.404 10 10 EECEMO CN(C)c1ccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000193450929 529780278 /nfs/dbraw/zinc/78/02/78/529780278.db2.gz JSOYWIWQQINOPQ-WCRBZPEASA-N 1 1 342.531 2.495 10 10 EECEMO CN(C)c1ccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000193450929 529780279 /nfs/dbraw/zinc/78/02/79/529780279.db2.gz JSOYWIWQQINOPQ-WCRBZPEASA-N 1 1 342.531 2.495 10 10 EECEMO CN1CCN(c2ncccc2C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000071834557 463435656 /nfs/dbraw/zinc/43/56/56/463435656.db2.gz ZZIXPWBCPOJPKG-UHFFFAOYSA-N 1 1 338.455 2.058 10 10 EECEMO CCn1c(C)nnc1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000195096966 463990046 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COc1ccc(O)c([C@H](C)[NH2+]C(c2ccnn2C)c2ccnn2C)c1 ZINC000858584643 1294159903 /nfs/dbraw/zinc/15/99/03/1294159903.db2.gz VKEHDQVCNNTMOM-LBPRGKRZSA-N 1 1 341.415 2.308 10 10 EECEMO Oc1ccccc1C[N@@H+](C[C@@H](O)CC1(O)CCC1)C[C@H]1CCCO1 ZINC000859190069 1294344132 /nfs/dbraw/zinc/34/41/32/1294344132.db2.gz FDQZXEZBFSWHPG-DLBZAZTESA-N 1 1 335.444 2.039 10 10 EECEMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccc3cccnc3c1O)CC2 ZINC000862026710 1295659977 /nfs/dbraw/zinc/65/99/77/1295659977.db2.gz XXZOOONFPSGMLN-HNNXBMFYSA-N 1 1 336.395 2.324 10 10 EECEMO NC(=O)C[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000863326206 1296222375 /nfs/dbraw/zinc/22/23/75/1296222375.db2.gz LFYKWMYMJGLAID-GFCCVEGCSA-N 1 1 344.411 2.093 10 10 EECEMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000843418132 1315911428 /nfs/dbraw/zinc/91/14/28/1315911428.db2.gz QWBPXRHKEKZLCS-GOSISDBHSA-N 1 1 334.485 2.231 10 10 EECEMO CCOc1ccc(O)c(C[N@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)c1 ZINC000843432995 1315914801 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COc1ccc(N(C)CC[N@H+](C)CN2C[C@@H](C(F)F)CC2=O)cc1 ZINC000844726217 789330449 /nfs/dbraw/zinc/33/04/49/789330449.db2.gz RQWYXCFOSLISRR-ZDUSSCGKSA-N 1 1 341.402 2.134 10 10 EECEMO COc1ccc(N(C)CC[N@@H+](C)CN2C[C@@H](C(F)F)CC2=O)cc1 ZINC000844726217 789330457 /nfs/dbraw/zinc/33/04/57/789330457.db2.gz RQWYXCFOSLISRR-ZDUSSCGKSA-N 1 1 341.402 2.134 10 10 EECEMO COc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1 ZINC000916226000 797557070 /nfs/dbraw/zinc/55/70/70/797557070.db2.gz MOGGFPQDPXJKLG-KDOFPFPSSA-N 1 1 346.475 2.056 10 10 EECEMO Cc1ccc(O)c(CNc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1 ZINC000788528942 807580428 /nfs/dbraw/zinc/58/04/28/807580428.db2.gz KKVWGRVZGCGPKG-UHFFFAOYSA-N 1 1 325.412 2.156 10 10 EECEMO Cc1ccc(O)c(CNc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c1 ZINC000788528942 807580438 /nfs/dbraw/zinc/58/04/38/807580438.db2.gz KKVWGRVZGCGPKG-UHFFFAOYSA-N 1 1 325.412 2.156 10 10 EECEMO C[NH+](C)[C@@]1(C(=O)N2Cc3cccc(O)c3C2)COc2ccccc2C1 ZINC001520380288 1119152994 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COc1c(O)c(C[NH2+]C[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000774970075 577425074 /nfs/dbraw/zinc/42/50/74/577425074.db2.gz UXRPCNHMNKQTRN-GFCCVEGCSA-N 1 1 346.339 2.239 10 10 EECEMO Cc1cc(Br)c(O)c(C[NH2+][C@]2(CCO)CCOC2)c1 ZINC000775030934 577427075 /nfs/dbraw/zinc/42/70/75/577427075.db2.gz XGESELGKFMMLFZ-CQSZACIVSA-N 1 1 330.222 2.094 10 10 EECEMO COc1c(O)c(C[NH2+]CCCc2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000775048345 577427817 /nfs/dbraw/zinc/42/78/17/577427817.db2.gz RKRDPIUUNVJALG-UHFFFAOYSA-N 1 1 348.403 2.382 10 10 EECEMO CNC(=O)CCC[N@@H+](C)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000753807924 577794084 /nfs/dbraw/zinc/79/40/84/577794084.db2.gz JYVIFPHGXGQTPG-UHFFFAOYSA-N 1 1 344.411 2.290 10 10 EECEMO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000924715094 693262452 /nfs/dbraw/zinc/26/24/52/693262452.db2.gz KFZPXZYIBMKRFU-MCPYQZEQSA-N 1 1 333.451 2.092 10 10 EECEMO CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)[NH+]1CCOCC1 ZINC000868022973 1201728915 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O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000777568029 577481841 /nfs/dbraw/zinc/48/18/41/577481841.db2.gz WGHBSFKTVGCQCX-ZDUSSCGKSA-N 1 1 342.361 2.381 10 10 EECEMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccs3)C1)[C@H](O)CO2 ZINC000768464743 577556446 /nfs/dbraw/zinc/55/64/46/577556446.db2.gz TVFAGVNYCCMCEN-GDBMZVCRSA-N 1 1 333.409 2.453 10 10 EECEMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccs3)C1)[C@H](O)CO2 ZINC000768464743 577556447 /nfs/dbraw/zinc/55/64/47/577556447.db2.gz TVFAGVNYCCMCEN-GDBMZVCRSA-N 1 1 333.409 2.453 10 10 EECEMO COC(=O)CC[N@@H+](Cc1cc(C)cc(OC)c1O)C1CCOCC1 ZINC000754738340 577811815 /nfs/dbraw/zinc/81/18/15/577811815.db2.gz YJJIMIXYEWUIJI-UHFFFAOYSA-N 1 1 337.416 2.253 10 10 EECEMO CCN1CCN(c2ccc(C[NH2+][C@H]3CN(C)C[C@@H]3C)cc2F)CC1 ZINC000756117887 577838702 /nfs/dbraw/zinc/83/87/02/577838702.db2.gz BGAGEBWUEUVPNY-YJBOKZPZSA-N 1 1 334.483 2.007 10 10 EECEMO CC[C@H](CO)[NH+]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177351331 675906791 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CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801595116 1235882033 /nfs/dbraw/zinc/88/20/33/1235882033.db2.gz IHZWCZUBCXJULH-HNNXBMFYSA-N 1 1 340.489 2.276 10 10 EECEMO Cc1cc(C)c(O)c(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000802745940 1238135555 /nfs/dbraw/zinc/13/55/55/1238135555.db2.gz VSZPMUJQZKNRPV-UHFFFAOYSA-N 1 1 338.473 2.009 10 10 EECEMO O=C1CCC2=C(CC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)N1 ZINC000826780830 1248061421 /nfs/dbraw/zinc/06/14/21/1248061421.db2.gz RRLBJJGIHMYLJF-UHFFFAOYSA-N 1 1 345.418 2.032 10 10 EECEMO C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000852589684 1292141595 /nfs/dbraw/zinc/14/15/95/1292141595.db2.gz ZCFUSHXRXLVNFR-CVEARBPZSA-N 1 1 333.476 2.210 10 10 EECEMO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000860158862 1294844419 /nfs/dbraw/zinc/84/44/19/1294844419.db2.gz SJYVNLMOTABWGF-CRAIPNDOSA-N 1 1 338.407 2.382 10 10 EECEMO Cc1cc(C(=O)C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000860158862 1294844427 /nfs/dbraw/zinc/84/44/27/1294844427.db2.gz SJYVNLMOTABWGF-CRAIPNDOSA-N 1 1 338.407 2.382 10 10 EECEMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1c(O)cccc1Br ZINC000862396682 1295827358 /nfs/dbraw/zinc/82/73/58/1295827358.db2.gz WDBZUSPDYHQTMZ-NWDGAFQWSA-N 1 1 343.265 2.042 10 10 EECEMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000863295807 1296205978 /nfs/dbraw/zinc/20/59/78/1296205978.db2.gz FBLCIVNFBRJLSB-GOSISDBHSA-N 1 1 337.416 2.159 10 10 EECEMO C[NH+]1CCN(c2ccc(C[NH+]3CCC(C)(C(=O)[O-])CC3)cc2F)CC1 ZINC001118177100 1306306029 /nfs/dbraw/zinc/30/60/29/1306306029.db2.gz MGIHUSGSAWUZDG-UHFFFAOYSA-N 1 1 349.450 2.264 10 10 EECEMO COc1c([O-])c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043959 1315827221 /nfs/dbraw/zinc/82/72/21/1315827221.db2.gz DUIBYEOZHBQNBB-JSGCOSHPSA-N 1 1 335.404 2.273 10 10 EECEMO COc1c(O)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043959 1315827224 /nfs/dbraw/zinc/82/72/24/1315827224.db2.gz DUIBYEOZHBQNBB-JSGCOSHPSA-N 1 1 335.404 2.273 10 10 EECEMO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H]2CC[N@H+]2C)CCCC1 ZINC001289119496 1327997085 /nfs/dbraw/zinc/99/70/85/1327997085.db2.gz IXZQTIVXYYOWLL-AWEZNQCLSA-N 1 1 341.455 2.349 10 10 EECEMO COC(=O)c1c(C[N@H+]2CC[C@@](O)(C3CC3)C2)c2cc(F)ccc2n1C ZINC001331550908 1335035555 /nfs/dbraw/zinc/03/55/55/1335035555.db2.gz WHPJVHTUXREFIE-IBGZPJMESA-N 1 1 346.402 2.451 10 10 EECEMO C[C@H]([NH2+]Cc1nc(Br)nn1C)c1ccc(N(C)C)cc1 ZINC001332737133 1335894760 /nfs/dbraw/zinc/89/47/60/1335894760.db2.gz NWBQVLWGKRIEKK-JTQLQIEISA-N 1 1 338.253 2.494 10 10 EECEMO COc1ccc(N2CC[C@H](CNC(=O)CC[N@H+]3CC[C@@H](F)C3)C2)cc1 ZINC001643346673 1352746905 /nfs/dbraw/zinc/74/69/05/1352746905.db2.gz OPAZLBKHXHCEKZ-HZPDHXFCSA-N 1 1 349.450 2.072 10 10 EECEMO COC(=O)N(C)CC[N@H+](C)Cc1cccc(Br)c1O ZINC000690817891 768850721 /nfs/dbraw/zinc/85/07/21/768850721.db2.gz ZUKKPFATZYVRLH-UHFFFAOYSA-N 1 1 331.210 2.285 10 10 EECEMO COC(=O)N(C)CC[N@@H+](C)Cc1cccc(Br)c1O ZINC000690817891 768850733 /nfs/dbraw/zinc/85/07/33/768850733.db2.gz ZUKKPFATZYVRLH-UHFFFAOYSA-N 1 1 331.210 2.285 10 10 EECEMO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Cl)c(Cl)cc1O ZINC000818361572 785256216 /nfs/dbraw/zinc/25/62/16/785256216.db2.gz LPIJMDMDTNUJBW-HQJQHLMTSA-N 1 1 331.199 2.497 10 10 EECEMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cc(Br)ccc1O ZINC000825130284 788449904 /nfs/dbraw/zinc/44/99/04/788449904.db2.gz RQPYLIXGRRBZJZ-GWCFXTLKSA-N 1 1 330.222 2.126 10 10 EECEMO COc1ccc(N(C)CC[N@@H+](C)Cc2cnc(OC)nc2C)cc1 ZINC000844401367 789070373 /nfs/dbraw/zinc/07/03/73/789070373.db2.gz KCVNZKGKIAGGCQ-UHFFFAOYSA-N 1 1 330.432 2.370 10 10 EECEMO COCC[N@H+](Cc1ccnn1C)Cc1cc(Cl)cc(OC)c1O ZINC000787332649 807079684 /nfs/dbraw/zinc/07/96/84/807079684.db2.gz SYZRSKJAHLWCMO-UHFFFAOYSA-N 1 1 339.823 2.436 10 10 EECEMO COCC[N@@H+](Cc1ccnn1C)Cc1cc(Cl)cc(OC)c1O ZINC000787332649 807079692 /nfs/dbraw/zinc/07/96/92/807079692.db2.gz SYZRSKJAHLWCMO-UHFFFAOYSA-N 1 1 339.823 2.436 10 10 EECEMO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCCN2C)cc1C ZINC001498567878 1107735675 /nfs/dbraw/zinc/73/56/75/1107735675.db2.gz LMUJJWOLUUMPMC-GOSISDBHSA-N 1 1 347.503 2.426 10 10 EECEMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000191673271 533081984 /nfs/dbraw/zinc/08/19/84/533081984.db2.gz MSYSOVBWBLWDBP-QRQLOZEOSA-N 1 1 344.455 2.297 10 10 EECEMO COC1CCN(c2ccc(C[N@@H+]3CCN(C(C)=O)C[C@H]3C)cc2)CC1 ZINC000296682834 465230450 /nfs/dbraw/zinc/23/04/50/465230450.db2.gz BQYYVWNKUHAYCF-MRXNPFEDSA-N 1 1 345.487 2.354 10 10 EECEMO COC1CCN(c2ccc(C[N@H+]3CCN(C(C)=O)C[C@H]3C)cc2)CC1 ZINC000296682834 465230453 /nfs/dbraw/zinc/23/04/53/465230453.db2.gz BQYYVWNKUHAYCF-MRXNPFEDSA-N 1 1 345.487 2.354 10 10 EECEMO C[C@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000177057007 464919503 /nfs/dbraw/zinc/91/95/03/464919503.db2.gz PZOQSSPRSCGHFS-LPHOPBHVSA-N 1 1 346.519 2.126 10 10 EECEMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000291646216 534142396 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