smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])[C@H]1CO ZINC001142508811 806607961 /nfs/dbraw/zinc/60/79/61/806607961.db2.gz MFCHHGAXDGFITC-ZANVPECISA-N 0 1 271.307 2.263 20 10 CECDMN CC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527060 806619633 /nfs/dbraw/zinc/61/96/33/806619633.db2.gz IZJUVCCVWLKKKL-JTQLQIEISA-N 0 1 269.291 2.471 20 10 CECDMN CC[NH+]1C[C@@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@H]2C1 ZINC001142530381 806622916 /nfs/dbraw/zinc/62/29/16/806622916.db2.gz GONIMOMYURXIER-VXGBXAGGSA-N 0 1 282.334 2.054 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC000693424112 802897920 /nfs/dbraw/zinc/89/79/20/802897920.db2.gz OFYTWQCQLZGVPT-DOMZBBRYSA-N 0 1 276.380 2.295 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2c([O-])cc(F)cc2F)CC[C@@]1(C)O ZINC001140582367 803177627 /nfs/dbraw/zinc/17/76/27/803177627.db2.gz HBWWBBJBUDHFDN-YMTOWFKASA-N 0 1 271.307 2.263 20 10 CECDMN CCN(CC)c1ccc(CN2CC[C@@](F)(CO)C2)c(O)c1 ZINC001140850215 803583025 /nfs/dbraw/zinc/58/30/25/803583025.db2.gz GUIOFHUFYSWUTM-INIZCTEOSA-N 0 1 296.386 2.145 20 10 CECDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237122477 808194256 /nfs/dbraw/zinc/19/42/56/808194256.db2.gz UZCWXDLSLZRVGL-SFYZADRCSA-N 0 1 259.708 2.140 20 10 CECDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237122477 808194265 /nfs/dbraw/zinc/19/42/65/808194265.db2.gz UZCWXDLSLZRVGL-SFYZADRCSA-N 0 1 259.708 2.140 20 10 CECDMN Cc1cc(F)cc(CN2CCCC3(C2)OCCO3)c1O ZINC001238070609 808293942 /nfs/dbraw/zinc/29/39/42/808293942.db2.gz NQBBWKVBIYUPQO-UHFFFAOYSA-N 0 1 281.327 2.179 20 10 CECDMN Cn1cncc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701161581 809399412 /nfs/dbraw/zinc/39/94/12/809399412.db2.gz CWBMYKZXFOMOAY-UHFFFAOYSA-N 0 1 296.168 2.178 20 10 CECDMN C[N@H+]1CC[C@@]2(CCN(Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC000703457852 809651063 /nfs/dbraw/zinc/65/10/63/809651063.db2.gz FUDPKBKJCOIYAM-OAHLLOKOSA-N 0 1 282.334 2.198 20 10 CECDMN C[C@H]1C[NH+](Cc2ccc(F)c(F)c2[O-])C[C@H](C)O1 ZINC000703562879 809668566 /nfs/dbraw/zinc/66/85/66/809668566.db2.gz KRQSYSBIRDHDDT-IUCAKERBSA-N 0 1 257.280 2.280 20 10 CECDMN CC1([NH3+])CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000704594056 809739156 /nfs/dbraw/zinc/73/91/56/809739156.db2.gz CLGUQLGOTQLLOR-UHFFFAOYSA-N 0 1 254.761 2.359 20 10 CECDMN CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2[O-])C1=O ZINC001273164478 810073594 /nfs/dbraw/zinc/07/35/94/810073594.db2.gz WGBIXPAZNMLSOF-OAHLLOKOSA-N 0 1 294.782 2.242 20 10 CECDMN CN1CC[C@]2(CCC[N@H+]2Cc2ccc(Cl)cc2[O-])C1=O ZINC001273164478 810073598 /nfs/dbraw/zinc/07/35/98/810073598.db2.gz WGBIXPAZNMLSOF-OAHLLOKOSA-N 0 1 294.782 2.242 20 10 CECDMN CC(C)COCC[C@H](C)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001172465753 815448337 /nfs/dbraw/zinc/44/83/37/815448337.db2.gz XQQQNJBLWBWEAN-LBPRGKRZSA-N 0 1 295.379 2.321 20 10 CECDMN Cc1n[nH]cc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000218323370 813539724 /nfs/dbraw/zinc/53/97/24/813539724.db2.gz IXGWPJSSGABHQX-UHFFFAOYSA-N 0 1 296.168 2.476 20 10 CECDMN COC[C@@H]1CCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139683190 814730027 /nfs/dbraw/zinc/73/00/27/814730027.db2.gz BBWVDAMQUPJCSN-VIFPVBQESA-N 0 1 257.280 2.281 20 10 CECDMN C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2F)[C@@H]1CO ZINC001137831727 815690877 /nfs/dbraw/zinc/69/08/77/815690877.db2.gz LHTUIXJDOKLLIL-GXFFZTMASA-N 0 1 253.317 2.124 20 10 CECDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001137832699 815692129 /nfs/dbraw/zinc/69/21/29/815692129.db2.gz DSDPTQXYXJOCKC-AWEZNQCLSA-N 0 1 251.301 2.286 20 10 CECDMN O=C1CC[C@@]2(CCC[N@H+](Cc3cccc(F)c3[O-])C2)O1 ZINC001138129453 815734011 /nfs/dbraw/zinc/73/40/11/815734011.db2.gz DLOJLQXLJSWERY-OAHLLOKOSA-N 0 1 279.311 2.203 20 10 CECDMN CN(C)c1ccc(CN2CC[C@@](N)(C(F)(F)F)C2)cc1 ZINC001206222927 815937530 /nfs/dbraw/zinc/93/75/30/815937530.db2.gz RFTPHLABHKKWNA-ZDUSSCGKSA-N 0 1 287.329 2.218 20 10 CECDMN C[C@]1(O)CCC[N@@H+](Cc2c([O-])c(F)ccc2F)C1 ZINC001139683268 816076120 /nfs/dbraw/zinc/07/61/20/816076120.db2.gz JXUQFEWSLDGJAQ-ZDUSSCGKSA-N 0 1 257.280 2.017 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@]12CCOC2 ZINC001139686588 816083164 /nfs/dbraw/zinc/08/31/64/816083164.db2.gz BNLOTAPIRWRHKX-CYBMUJFWSA-N 0 1 255.264 2.035 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@]12CCOC2 ZINC001139686588 816083170 /nfs/dbraw/zinc/08/31/70/816083170.db2.gz BNLOTAPIRWRHKX-CYBMUJFWSA-N 0 1 255.264 2.035 20 10 CECDMN COC(=O)N1CCCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140462989 816260287 /nfs/dbraw/zinc/26/02/87/816260287.db2.gz RDHKJZREJSFWBE-UHFFFAOYSA-N 0 1 298.770 2.320 20 10 CECDMN O=C1CC2(CN1)CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140461778 816260616 /nfs/dbraw/zinc/26/06/16/816260616.db2.gz UGGHFOGQWRUAKX-UHFFFAOYSA-N 0 1 294.782 2.148 20 10 CECDMN C[C@]1(O)CCC[N@@H+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583050 816291178 /nfs/dbraw/zinc/29/11/78/816291178.db2.gz VAQNTGDTJBNBHM-AWEZNQCLSA-N 0 1 271.307 2.407 20 10 CECDMN C[N@@H+](Cc1c([O-])cc(F)cc1F)[C@@H]1CCCOC1 ZINC001140585263 816295199 /nfs/dbraw/zinc/29/51/99/816295199.db2.gz BXQQRQOJXJMHQV-SNVBAGLBSA-N 0 1 257.280 2.281 20 10 CECDMN Oc1cc2c(cc1O)CN(Cc1cc[nH]c1)CCC2 ZINC001140708306 816329110 /nfs/dbraw/zinc/32/91/10/816329110.db2.gz YMMDYJQNPOAWDL-UHFFFAOYSA-N 0 1 258.321 2.374 20 10 CECDMN Cc1c(O)ccc(CN(C)Cc2cncs2)c1O ZINC001140747493 816341062 /nfs/dbraw/zinc/34/10/62/816341062.db2.gz BSDVBBHSCQRSJO-UHFFFAOYSA-N 0 1 264.350 2.495 20 10 CECDMN CN(C)c1ccc(CN2CCN(C)CC2)c(Cl)c1 ZINC001140921577 816410534 /nfs/dbraw/zinc/41/05/34/816410534.db2.gz IMLQVWKHXCBCBC-UHFFFAOYSA-N 0 1 267.804 2.153 20 10 CECDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC001142508496 816677080 /nfs/dbraw/zinc/67/70/80/816677080.db2.gz ASLLBTCJVRPDRM-SNVBAGLBSA-N 0 1 271.307 2.265 20 10 CECDMN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508677 816677162 /nfs/dbraw/zinc/67/71/62/816677162.db2.gz HLEIXHOXGNBSQC-NXEZZACHSA-N 0 1 299.317 2.444 20 10 CECDMN C[N@@H+]1C[C@H]2CCCN(Cc3cc(F)c(F)cc3[O-])[C@H]2C1 ZINC001142524799 816680450 /nfs/dbraw/zinc/68/04/50/816680450.db2.gz LCPMBJHCEKICCP-YGRLFVJLSA-N 0 1 282.334 2.196 20 10 CECDMN C[N@H+]1C[C@H]2CCCN(Cc3cc(F)c(F)cc3[O-])[C@H]2C1 ZINC001142524799 816680455 /nfs/dbraw/zinc/68/04/55/816680455.db2.gz LCPMBJHCEKICCP-YGRLFVJLSA-N 0 1 282.334 2.196 20 10 CECDMN C[N@@H+]1CC[C@]2(CCN(Cc3cc(F)c(F)cc3[O-])C2)C1 ZINC001142526951 816680648 /nfs/dbraw/zinc/68/06/48/816680648.db2.gz CRVHPJOEWFOBPF-HNNXBMFYSA-N 0 1 282.334 2.198 20 10 CECDMN C[N@H+]1CC[C@]2(CCN(Cc3cc(F)c(F)cc3[O-])C2)C1 ZINC001142526951 816680653 /nfs/dbraw/zinc/68/06/53/816680653.db2.gz CRVHPJOEWFOBPF-HNNXBMFYSA-N 0 1 282.334 2.198 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1O ZINC000178897949 344504512 /nfs/dbraw/zinc/50/45/12/344504512.db2.gz QUYFZZDENRIZTC-SECBINFHSA-N 0 1 297.738 2.155 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCOC2)c1[O-] ZINC000135148818 366402451 /nfs/dbraw/zinc/40/24/51/366402451.db2.gz NEQJPNXONGSXJC-LBPRGKRZSA-N 0 1 283.755 2.469 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCOC2)c1[O-] ZINC000135148818 366402456 /nfs/dbraw/zinc/40/24/56/366402456.db2.gz NEQJPNXONGSXJC-LBPRGKRZSA-N 0 1 283.755 2.469 20 10 CECDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(=O)NCCF ZINC000282791853 299345170 /nfs/dbraw/zinc/34/51/70/299345170.db2.gz QGWQSNNDESBELX-IUCAKERBSA-N 0 1 288.750 2.170 20 10 CECDMN Cc1noc(C)c1CNCc1cc2c(cc1O)OCO2 ZINC000112017526 364769579 /nfs/dbraw/zinc/76/95/79/364769579.db2.gz ZVSOZUOCANSXMQ-UHFFFAOYSA-N 0 1 276.292 2.016 20 10 CECDMN Cc1ccc(O)c(CN2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000245721533 370863874 /nfs/dbraw/zinc/86/38/74/370863874.db2.gz DJLCDXSKEHYRHH-CVEARBPZSA-N 0 1 277.364 2.080 20 10 CECDMN CN(Cc1nnc[nH]1)Cc1ccc(N2CCCCC2)cc1 ZINC000179790985 368352250 /nfs/dbraw/zinc/35/22/50/368352250.db2.gz BGRRPHBJEBDQGN-UHFFFAOYSA-N 0 1 285.395 2.427 20 10 CECDMN CNC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(C)c1O ZINC000179786859 368352272 /nfs/dbraw/zinc/35/22/72/368352272.db2.gz RKZOCLICKDJXBH-LBPRGKRZSA-N 0 1 282.771 2.064 20 10 CECDMN CCOC(=O)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000183465963 368628233 /nfs/dbraw/zinc/62/82/33/368628233.db2.gz GXDFTEMCGFNGIH-UHFFFAOYSA-N 0 1 298.770 2.320 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CCN1CCSCC1 ZINC000226648512 370350323 /nfs/dbraw/zinc/35/03/23/370350323.db2.gz NAZKCGIYONDDCE-UHFFFAOYSA-N 0 1 286.828 2.184 20 10 CECDMN Oc1ccccc1CN1CCN(Cc2ccco2)CC1 ZINC000271236673 373185214 /nfs/dbraw/zinc/18/52/14/373185214.db2.gz CPVSRCMKXDDRMU-UHFFFAOYSA-N 0 1 272.348 2.303 20 10 CECDMN Oc1ccc(F)cc1CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000272214346 373364966 /nfs/dbraw/zinc/36/49/66/373364966.db2.gz AZXDYLMBUQEZTF-PWSUYJOCSA-N 0 1 293.260 2.419 20 10 CECDMN Cc1ccc([C@H](C)NCc2nnc3n2CCC3)c(O)c1C ZINC000273404609 373755641 /nfs/dbraw/zinc/75/56/41/373755641.db2.gz OFWJIWPYQUFTMZ-LBPRGKRZSA-N 0 1 286.379 2.398 20 10 CECDMN COC[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-])OC ZINC000273478237 373759767 /nfs/dbraw/zinc/75/97/67/373759767.db2.gz TXKLIWMSBLXKRB-ONGXEEELSA-N 0 1 273.760 2.358 20 10 CECDMN C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000273536957 373762368 /nfs/dbraw/zinc/76/23/68/373762368.db2.gz XOEKHWIGISUDCH-TVQRCGJNSA-N 0 1 295.770 2.163 20 10 CECDMN C[C@H]([NH2+]CCCS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000273587065 373766627 /nfs/dbraw/zinc/76/66/27/373766627.db2.gz OBMBRDJURZHKTB-VIFPVBQESA-N 0 1 291.800 2.131 20 10 CECDMN C[C@@H]([NH2+]CCCS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000273587063 373767400 /nfs/dbraw/zinc/76/74/00/373767400.db2.gz OBMBRDJURZHKTB-SECBINFHSA-N 0 1 291.800 2.131 20 10 CECDMN C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000375410239 374657974 /nfs/dbraw/zinc/65/79/74/374657974.db2.gz GCNIGIZPKOSSGV-ZOBUZTSGSA-N 0 1 291.391 2.144 20 10 CECDMN CN(C)c1ccc(CN2CCC[C@@](F)(CO)C2)cc1 ZINC000286822975 376076375 /nfs/dbraw/zinc/07/63/75/376076375.db2.gz KPGQVOFXKMQMFH-HNNXBMFYSA-N 0 1 266.360 2.049 20 10 CECDMN Cc1cc(CN2CCCC3(C2)OCCO3)ccc1N(C)C ZINC000293721942 377721897 /nfs/dbraw/zinc/72/18/97/377721897.db2.gz FUDXHBDVDHDTAV-UHFFFAOYSA-N 0 1 290.407 2.400 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)C(C)(C)O)c1[O-] ZINC000295047434 378037445 /nfs/dbraw/zinc/03/74/45/378037445.db2.gz AVWXBGNWNBSFQK-JTQLQIEISA-N 0 1 283.343 2.325 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C)C(C)(C)O)c1[O-] ZINC000295047434 378037448 /nfs/dbraw/zinc/03/74/48/378037448.db2.gz AVWXBGNWNBSFQK-JTQLQIEISA-N 0 1 283.343 2.325 20 10 CECDMN CN(C)C(=O)O[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000294817030 378021068 /nfs/dbraw/zinc/02/10/68/378021068.db2.gz ONXPXXXYXOCQCZ-CYBMUJFWSA-N 0 1 296.342 2.194 20 10 CECDMN C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000294878611 378024726 /nfs/dbraw/zinc/02/47/26/378024726.db2.gz KSGUFZNZCCTTTM-QMMMGPOBSA-N 0 1 259.708 2.405 20 10 CECDMN CCc1nnc([C@H](C)N[C@@H]2CCc3cccc(O)c32)[nH]1 ZINC000297073407 378664996 /nfs/dbraw/zinc/66/49/96/378664996.db2.gz WLZYNSIBVQBIAH-GXSJLCMTSA-N 0 1 272.352 2.411 20 10 CECDMN CCOC[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000529666975 380183396 /nfs/dbraw/zinc/18/33/96/380183396.db2.gz PPUIMNOSXXPKIO-LBPRGKRZSA-N 0 1 285.771 2.283 20 10 CECDMN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cnccn1 ZINC000151064431 394975565 /nfs/dbraw/zinc/97/55/65/394975565.db2.gz NAJQPJWZDYMFGH-AWEZNQCLSA-N 0 1 298.390 2.164 20 10 CECDMN Cc1cccc(CN2CC[S@](=O)CC[C@H]2C)c1O ZINC000375929784 395104747 /nfs/dbraw/zinc/10/47/47/395104747.db2.gz DJIQVVYAFOMNHW-KZULUSFZSA-N 0 1 267.394 2.044 20 10 CECDMN C[C@@H]([NH2+]CCOCCO)c1ccc2ccccc2c1[O-] ZINC000020198672 171062346 /nfs/dbraw/zinc/06/23/46/171062346.db2.gz XCTMEPANSSDTEG-GFCCVEGCSA-N 0 1 275.348 2.205 20 10 CECDMN CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000211637546 260344967 /nfs/dbraw/zinc/34/49/67/260344967.db2.gz WBWINSWUPQSJCH-BETUJISGSA-N 0 1 263.337 2.154 20 10 CECDMN CCc1nc(CN(C)c2ccc(OC)c(F)c2)n[nH]1 ZINC000158896680 261173324 /nfs/dbraw/zinc/17/33/24/261173324.db2.gz NDAQVNSMTSRRRU-UHFFFAOYSA-N 0 1 264.304 2.151 20 10 CECDMN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Cl)ccc1[O-] ZINC000185502432 262056870 /nfs/dbraw/zinc/05/68/70/262056870.db2.gz QUQLMOYFWUWLPP-GXSJLCMTSA-N 0 1 282.771 2.317 20 10 CECDMN C[C@@H]([NH2+]CC1(C)OCCO1)c1cc(Cl)ccc1[O-] ZINC000186211569 262084715 /nfs/dbraw/zinc/08/47/15/262084715.db2.gz ADLFEIGXJJWJCP-SECBINFHSA-N 0 1 271.744 2.459 20 10 CECDMN [O-]c1c(F)cccc1C[N@H+]1CCC[C@]12CCOC2 ZINC000310986362 262186340 /nfs/dbraw/zinc/18/63/40/262186340.db2.gz RWDFCVYIGXGSML-CQSZACIVSA-N 0 1 251.301 2.286 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]CC12CC(C1)CO2 ZINC000527791391 330283612 /nfs/dbraw/zinc/28/36/12/330283612.db2.gz YGMDNESXGGLUCI-UHFFFAOYSA-N 0 1 253.729 2.314 20 10 CECDMN CC(C)(C)C(=O)NCC[NH2+]Cc1c([O-])cccc1Cl ZINC000264940724 518583512 /nfs/dbraw/zinc/58/35/12/518583512.db2.gz GHPUQEQEWNKWBU-UHFFFAOYSA-N 0 1 284.787 2.298 20 10 CECDMN COc1c([O-])c(C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000278186726 521866007 /nfs/dbraw/zinc/86/60/07/521866007.db2.gz HJHIKSYVEQZVLH-UHFFFAOYSA-N 0 1 254.286 2.149 20 10 CECDMN C[C@@H](CN1CCCC1=O)[NH2+]Cc1c([O-])cccc1Cl ZINC000083552027 524599794 /nfs/dbraw/zinc/59/97/94/524599794.db2.gz PIWDASFPYXCWBL-JTQLQIEISA-N 0 1 282.771 2.146 20 10 CECDMN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](C2CC2)O1 ZINC000280502525 524986292 /nfs/dbraw/zinc/98/62/92/524986292.db2.gz GGJYRRRXMVHYFK-QLJPJBMISA-N 0 1 291.347 2.120 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000374271464 526347180 /nfs/dbraw/zinc/34/71/80/526347180.db2.gz ODQYZDXCZLCAEU-DZGCQCFKSA-N 0 1 297.782 2.473 20 10 CECDMN C[N@H+](CCn1cccn1)Cc1cc(Cl)ccc1[O-] ZINC000125276584 649883951 /nfs/dbraw/zinc/88/39/51/649883951.db2.gz YKZVHBOUDSHNJB-UHFFFAOYSA-N 0 1 265.744 2.374 20 10 CECDMN C[N@@H+](CCn1cccn1)Cc1cc(Cl)ccc1[O-] ZINC000125276584 649883954 /nfs/dbraw/zinc/88/39/54/649883954.db2.gz YKZVHBOUDSHNJB-UHFFFAOYSA-N 0 1 265.744 2.374 20 10 CECDMN Cc1cc(CCNC(=O)CN(C)C)c(C)n1-c1ccccc1 ZINC000727366735 574450812 /nfs/dbraw/zinc/45/08/12/574450812.db2.gz NSYMVYWZSHTTKM-UHFFFAOYSA-N 0 1 299.418 2.314 20 10 CECDMN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCCN2C)c1 ZINC000732287666 574617999 /nfs/dbraw/zinc/61/79/99/574617999.db2.gz ZKHPNKYEMJUOML-FZMZJTMJSA-N 0 1 292.379 2.062 20 10 CECDMN O=C(Nc1ccn(-c2ccncc2)n1)C1=CC(=O)CS1 ZINC000733809359 574687296 /nfs/dbraw/zinc/68/72/96/574687296.db2.gz JPPXRZAQGPCTOR-UHFFFAOYSA-N 0 1 286.316 2.287 20 10 CECDMN COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756576525 574821969 /nfs/dbraw/zinc/82/19/69/574821969.db2.gz NMHGRFZBHKLJLI-TVQRCGJNSA-N 0 1 273.760 2.094 20 10 CECDMN COC[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000739872467 574935191 /nfs/dbraw/zinc/93/51/91/574935191.db2.gz PRPIPMYHJMCZCN-LBPRGKRZSA-N 0 1 272.348 2.409 20 10 CECDMN COC[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000739872467 574935192 /nfs/dbraw/zinc/93/51/92/574935192.db2.gz PRPIPMYHJMCZCN-LBPRGKRZSA-N 0 1 272.348 2.409 20 10 CECDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC000086752182 600950451 /nfs/dbraw/zinc/95/04/51/600950451.db2.gz LLJNPCKVFLHMEK-LBPRGKRZSA-N 0 1 264.369 2.438 20 10 CECDMN COc1cccc(C[N@@H+](CCC(=O)[O-])C(C)C)c1O ZINC000086748237 604642957 /nfs/dbraw/zinc/64/29/57/604642957.db2.gz QTFRXYSPGCCHNW-UHFFFAOYSA-N 0 1 267.325 2.086 20 10 CECDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cc(F)ccc1O ZINC000833486406 605478792 /nfs/dbraw/zinc/47/87/92/605478792.db2.gz HNFXWZCPNUMQQZ-UHFFFAOYSA-N 0 1 269.316 2.464 20 10 CECDMN CC[NH+](CC)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890758422 622929269 /nfs/dbraw/zinc/92/92/69/622929269.db2.gz XLDIJPZJJYGCMN-UHFFFAOYSA-N 0 1 270.760 2.004 20 10 CECDMN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2O)C1 ZINC000086773087 623351637 /nfs/dbraw/zinc/35/16/37/623351637.db2.gz YLJQNNIAIQTJNQ-LBPRGKRZSA-N 0 1 289.253 2.231 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(CCO)CC1 ZINC000157319074 624973408 /nfs/dbraw/zinc/97/34/08/624973408.db2.gz PCKZNEYHZQKNFC-UHFFFAOYSA-N 0 1 255.745 2.298 20 10 CECDMN COc1ccc(CNCc2c(O)cccc2OC)cc1O ZINC000725851517 625957858 /nfs/dbraw/zinc/95/78/58/625957858.db2.gz SJUGHXCWQNWFAE-UHFFFAOYSA-N 0 1 289.331 2.405 20 10 CECDMN COCCN1CC[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840895408 627883874 /nfs/dbraw/zinc/88/38/74/627883874.db2.gz LKWCHDMWMYTLJT-LBPRGKRZSA-N 0 1 298.814 2.164 20 10 CECDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000092941444 628552445 /nfs/dbraw/zinc/55/24/45/628552445.db2.gz VHEPSSFIRALJFF-RISCZKNCSA-N 0 1 262.353 2.048 20 10 CECDMN CN1CCN(c2ccc(CNC(=O)/C=C\C3CC3)cc2)CC1 ZINC000893608567 628787017 /nfs/dbraw/zinc/78/70/17/628787017.db2.gz WTLKUGVRAPVDNP-TWGQIWQCSA-N 0 1 299.418 2.021 20 10 CECDMN C/C=C(\C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000893608690 628787355 /nfs/dbraw/zinc/78/73/55/628787355.db2.gz ZOWFODMBNUAWLE-LNKIKWGQSA-N 0 1 287.407 2.021 20 10 CECDMN CN(CC(=O)NC(C)(C)C)Cc1cc(F)cc(F)c1O ZINC000893910829 629042347 /nfs/dbraw/zinc/04/23/47/629042347.db2.gz NSBMDZNVYSYGJH-UHFFFAOYSA-N 0 1 286.322 2.017 20 10 CECDMN CC(C)COC(=O)[C@H](C)NCc1cc(F)cc(F)c1O ZINC000894538322 629520453 /nfs/dbraw/zinc/52/04/53/629520453.db2.gz JNKRFUFBEUJUEZ-VIFPVBQESA-N 0 1 287.306 2.348 20 10 CECDMN C[C@@H](CO)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894769344 629624955 /nfs/dbraw/zinc/62/49/55/629624955.db2.gz DTGAKEVIPAVVHX-ZETCQYMHSA-N 0 1 292.148 2.106 20 10 CECDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000894816836 629658340 /nfs/dbraw/zinc/65/83/40/629658340.db2.gz WTYIKXYJDVLTNK-GFCCVEGCSA-N 0 1 279.290 2.314 20 10 CECDMN C[C@H](O)CN(Cc1cc(F)cc(F)c1O)CC(F)F ZINC000894913731 629751394 /nfs/dbraw/zinc/75/13/94/629751394.db2.gz CWYDYZJORCHWAN-ZETCQYMHSA-N 0 1 281.249 2.118 20 10 CECDMN COc1cc(C)cc(CN[C@H](C)c2ccn(C)n2)c1O ZINC000894984509 629784591 /nfs/dbraw/zinc/78/45/91/629784591.db2.gz JTJVVSBBLWZBCV-LLVKDONJSA-N 0 1 275.352 2.294 20 10 CECDMN Cc1nnc([C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)[nH]1 ZINC000895013231 629795471 /nfs/dbraw/zinc/79/54/71/629795471.db2.gz YUUNRFZGDVGGCU-SECBINFHSA-N 0 1 294.305 2.086 20 10 CECDMN Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)n1 ZINC000895013231 629795476 /nfs/dbraw/zinc/79/54/76/629795476.db2.gz YUUNRFZGDVGGCU-SECBINFHSA-N 0 1 294.305 2.086 20 10 CECDMN Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)n1 ZINC000895013231 629795483 /nfs/dbraw/zinc/79/54/83/629795483.db2.gz YUUNRFZGDVGGCU-SECBINFHSA-N 0 1 294.305 2.086 20 10 CECDMN FC[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895575929 630255697 /nfs/dbraw/zinc/25/56/97/630255697.db2.gz WEDRBWMNRKJBQZ-AWEZNQCLSA-N 0 1 296.361 2.454 20 10 CECDMN Cc1cc(Br)cc(CN2C[C@@H]3C[C@]3(O)C2)c1O ZINC000895654533 630290439 /nfs/dbraw/zinc/29/04/39/630290439.db2.gz SIULTKMKBOGMPL-GWCFXTLKSA-N 0 1 298.180 2.030 20 10 CECDMN Oc1cc(F)c(Cl)cc1CN1CCCn2nncc2C1 ZINC000895755309 630331233 /nfs/dbraw/zinc/33/12/33/630331233.db2.gz HBPGHQFQPPPOOC-UHFFFAOYSA-N 0 1 296.733 2.182 20 10 CECDMN CC[C@@H](CO)[N@H+](C)Cc1c([O-])cccc1Br ZINC000862381804 631334719 /nfs/dbraw/zinc/33/47/19/631334719.db2.gz HYNLMZSCNSHZHF-VIFPVBQESA-N 0 1 288.185 2.357 20 10 CECDMN CC[C@@H](CO)[N@@H+](C)Cc1c([O-])cccc1Br ZINC000862381804 631334723 /nfs/dbraw/zinc/33/47/23/631334723.db2.gz HYNLMZSCNSHZHF-VIFPVBQESA-N 0 1 288.185 2.357 20 10 CECDMN CCC[N@H+](CC(=O)[O-])Cc1c(O)ccc(Cl)c1F ZINC000840997839 631346354 /nfs/dbraw/zinc/34/63/54/631346354.db2.gz YEPSZCNHMIHAQT-UHFFFAOYSA-N 0 1 275.707 2.481 20 10 CECDMN CCC[N@@H+](CC(=O)[O-])Cc1c(O)ccc(Cl)c1F ZINC000840997839 631346362 /nfs/dbraw/zinc/34/63/62/631346362.db2.gz YEPSZCNHMIHAQT-UHFFFAOYSA-N 0 1 275.707 2.481 20 10 CECDMN CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(=O)NC ZINC000841752830 631725143 /nfs/dbraw/zinc/72/51/43/631725143.db2.gz CKUQRUOGYQXCFD-LDYMZIIASA-N 0 1 270.760 2.221 20 10 CECDMN Oc1cc(F)c(Cl)cc1CN1CC[C@@H](O)[C@H](F)C1 ZINC000898188596 632102389 /nfs/dbraw/zinc/10/23/89/632102389.db2.gz OCRWLASQRALJFU-GHMZBOCLSA-N 0 1 277.698 2.089 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CC2(CC(N)=O)CC2)cc1Cl ZINC000826131218 635764592 /nfs/dbraw/zinc/76/45/92/635764592.db2.gz PXYWIKWVYSBEPF-UHFFFAOYSA-N 0 1 282.771 2.099 20 10 CECDMN C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCC1(F)F ZINC000811780537 632444608 /nfs/dbraw/zinc/44/46/08/632444608.db2.gz OKYWLVRPEXVOBP-ZANVPECISA-N 0 1 299.317 2.295 20 10 CECDMN C[C@H](NC(=[NH2+])NCc1cc(Cl)ccc1[O-])C1CC1 ZINC000899275861 632771014 /nfs/dbraw/zinc/77/10/14/632771014.db2.gz IZYSWTWXNYBBKA-QMMMGPOBSA-N 0 1 267.760 2.458 20 10 CECDMN CCN(C)c1ccc(CN2CC[C@@](F)(CO)C2)cc1 ZINC000815111453 632961582 /nfs/dbraw/zinc/96/15/82/632961582.db2.gz LYGCXNHUCZPHBB-HNNXBMFYSA-N 0 1 266.360 2.049 20 10 CECDMN CCN(C)c1ccc(CN2CCOC[C@@H]2CCOC)cc1 ZINC000815118414 632962937 /nfs/dbraw/zinc/96/29/37/632962937.db2.gz HHJQTUOKZXDBNX-KRWDZBQOSA-N 0 1 292.423 2.380 20 10 CECDMN Oc1cc(F)c(Cl)cc1CN1CCC2(C1)OCCO2 ZINC000816502725 633402320 /nfs/dbraw/zinc/40/23/20/633402320.db2.gz NEYDMWGDISHNAO-UHFFFAOYSA-N 0 1 287.718 2.134 20 10 CECDMN CO[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1OC ZINC000816591702 633418275 /nfs/dbraw/zinc/41/82/75/633418275.db2.gz LRWYCWAVBKDCBM-IYBDPMFKSA-N 0 1 287.359 2.391 20 10 CECDMN CO[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1OC ZINC000816591702 633418279 /nfs/dbraw/zinc/41/82/79/633418279.db2.gz LRWYCWAVBKDCBM-IYBDPMFKSA-N 0 1 287.359 2.391 20 10 CECDMN [O-]c1c(C[NH2+]C[C@@H](O)C2CC2)ccc2ccccc21 ZINC000816610331 633421501 /nfs/dbraw/zinc/42/15/01/633421501.db2.gz GYRBLWUWGJRIBU-OAHLLOKOSA-N 0 1 257.333 2.406 20 10 CECDMN CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c1O ZINC000818632047 633967693 /nfs/dbraw/zinc/96/76/93/633967693.db2.gz ZLVYSAFGWRBDAV-SMDDNHRTSA-N 0 1 293.363 2.476 20 10 CECDMN C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)[C@@H]1C(=O)[O-] ZINC000818631593 633967715 /nfs/dbraw/zinc/96/77/15/633967715.db2.gz KMZWTMHWEHNJFJ-DOMZBBRYSA-N 0 1 276.380 2.438 20 10 CECDMN CCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1O ZINC000818632046 633967908 /nfs/dbraw/zinc/96/79/08/633967908.db2.gz ZLVYSAFGWRBDAV-RISCZKNCSA-N 0 1 293.363 2.476 20 10 CECDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(F)ccc1O ZINC000824636262 635466782 /nfs/dbraw/zinc/46/67/82/635466782.db2.gz NNMIDFDFTSCGLF-GXFFZTMASA-N 0 1 253.317 2.124 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C2CCC(C(N)=O)CC2)cc1Cl ZINC000825278932 635605821 /nfs/dbraw/zinc/60/58/21/635605821.db2.gz PSIGEWHKLGRRBX-UHFFFAOYSA-N 0 1 296.798 2.488 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1Cl ZINC000826120463 635763830 /nfs/dbraw/zinc/76/38/30/635763830.db2.gz DPUJLHPNBJNLRD-RISCZKNCSA-N 0 1 299.798 2.231 20 10 CECDMN COC[C@H](CC[NH2+]Cc1cc(Cl)c(C)cc1[O-])OC ZINC000826838119 635857488 /nfs/dbraw/zinc/85/74/88/635857488.db2.gz DJOBZKMBBIVGDG-LBPRGKRZSA-N 0 1 287.787 2.495 20 10 CECDMN Cc1nnc(CN(C)Cc2cccc(Cl)c2O)o1 ZINC000827039304 636194556 /nfs/dbraw/zinc/19/45/56/636194556.db2.gz NUGDLOHVRRVSIP-UHFFFAOYSA-N 0 1 267.716 2.369 20 10 CECDMN COC(=O)[C@](C)(CCF)NCc1cccc(Cl)c1O ZINC000827353153 636302395 /nfs/dbraw/zinc/30/23/95/636302395.db2.gz ZZLJQZYIULPTHO-ZDUSSCGKSA-N 0 1 289.734 2.427 20 10 CECDMN COC(=O)N(C)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000827376816 636310430 /nfs/dbraw/zinc/31/04/30/636310430.db2.gz IDPBATUBDBCJBJ-UHFFFAOYSA-N 0 1 288.347 2.333 20 10 CECDMN COC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000827934446 636462678 /nfs/dbraw/zinc/46/26/78/636462678.db2.gz KXOAGBPHXVVVIT-UHFFFAOYSA-N 0 1 298.770 2.366 20 10 CECDMN CCC1C[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000835075642 638049914 /nfs/dbraw/zinc/04/99/14/638049914.db2.gz XQDNRKHPYXDJMC-UHFFFAOYSA-N 0 1 266.297 2.151 20 10 CECDMN COc1cc(C)cc(CN2C[C@@H](C)OC[C@@H]2C)c1O ZINC000163953433 639339972 /nfs/dbraw/zinc/33/99/72/639339972.db2.gz VHLLDWGBZOCDJC-NWDGAFQWSA-N 0 1 265.353 2.318 20 10 CECDMN C[C@@H]1[C@H](C)OCCN1Cc1cc2c(cc1O)CCC2 ZINC000164171536 639353639 /nfs/dbraw/zinc/35/36/39/639353639.db2.gz UKALUZHVVMRIMJ-NEPJUHHUSA-N 0 1 261.365 2.490 20 10 CECDMN Cc1cc(C)c(O)c(CN2CCN(CC(F)F)CC2)c1 ZINC000164236267 639356263 /nfs/dbraw/zinc/35/62/63/639356263.db2.gz LXUKAHMEEBPHDH-UHFFFAOYSA-N 0 1 284.350 2.392 20 10 CECDMN COC(=O)[C@]1(F)CCN(Cc2cc(C)cc(C)c2O)C1 ZINC000164440193 639374965 /nfs/dbraw/zinc/37/49/65/639374965.db2.gz VJWBILPMTKJVOG-HNNXBMFYSA-N 0 1 281.327 2.096 20 10 CECDMN COC(=O)[C@@]1(F)CCN(Cc2cc(C)cc(C)c2O)C1 ZINC000164440053 639375211 /nfs/dbraw/zinc/37/52/11/639375211.db2.gz VJWBILPMTKJVOG-OAHLLOKOSA-N 0 1 281.327 2.096 20 10 CECDMN COCCOCCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840871215 639568046 /nfs/dbraw/zinc/56/80/46/639568046.db2.gz CRFOSUMGKPNRHD-UHFFFAOYSA-N 0 1 287.787 2.497 20 10 CECDMN CN(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000840997381 639611980 /nfs/dbraw/zinc/61/19/80/639611980.db2.gz AKEWLRWLABGPRP-LBPRGKRZSA-N 0 1 280.343 2.188 20 10 CECDMN CC(C)c1nc([C@H](C)NC(=O)Nc2ccc(N)cc2)n[nH]1 ZINC000841297277 639730492 /nfs/dbraw/zinc/73/04/92/639730492.db2.gz DJELUTQPNMMMJA-VIFPVBQESA-N 0 1 288.355 2.393 20 10 CECDMN CCN1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000876989060 650521917 /nfs/dbraw/zinc/52/19/17/650521917.db2.gz SVQXXCZQUPNLKU-NSHDSACASA-N 0 1 284.350 2.492 20 10 CECDMN C[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(Cl)cc1[O-] ZINC000841746165 639856995 /nfs/dbraw/zinc/85/69/95/639856995.db2.gz VVEOTQJJGBNYKU-ONGXEEELSA-N 0 1 271.744 2.112 20 10 CECDMN COC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841762692 639860452 /nfs/dbraw/zinc/86/04/52/639860452.db2.gz JSMFFSQWGMNZGK-NOZJJQNGSA-N 0 1 273.760 2.094 20 10 CECDMN CC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000843039319 640246178 /nfs/dbraw/zinc/24/61/78/640246178.db2.gz PIFXOSFBIAYMSJ-MRVPVSSYSA-N 0 1 261.680 2.138 20 10 CECDMN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)[O-] ZINC000843040284 640248071 /nfs/dbraw/zinc/24/80/71/640248071.db2.gz UBUMHWKZHAIRNP-VIFPVBQESA-N 0 1 261.680 2.138 20 10 CECDMN [O-]c1c(F)cccc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000843118079 640287120 /nfs/dbraw/zinc/28/71/20/640287120.db2.gz WESCNXOAFJIQFA-OAHLLOKOSA-N 0 1 287.338 2.073 20 10 CECDMN CCC[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1CCN(C)C1 ZINC000843422409 640423313 /nfs/dbraw/zinc/42/33/13/640423313.db2.gz 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CECDMN CC[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000858494147 645180922 /nfs/dbraw/zinc/18/09/22/645180922.db2.gz DNXOKBLKLVXGQE-HLUHBDAQSA-N 0 1 282.771 2.350 20 10 CECDMN CC[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000858549653 645198006 /nfs/dbraw/zinc/19/80/06/645198006.db2.gz XZDGYTDVTUEYTG-TZMCWYRMSA-N 0 1 298.814 2.153 20 10 CECDMN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000765794498 645811216 /nfs/dbraw/zinc/81/12/16/645811216.db2.gz CQYHVLIZJBJZRQ-RYUDHWBXSA-N 0 1 282.771 2.050 20 10 CECDMN CN(Cc1cnc(N2CCCC2)nc1)Cc1ccccc1O ZINC000768872092 646177539 /nfs/dbraw/zinc/17/75/39/646177539.db2.gz CDKXNCWEWSJYCQ-UHFFFAOYSA-N 0 1 298.390 2.414 20 10 CECDMN COc1ccc(N2CC[C@@H](NCc3cnc(C)o3)C2)cc1 ZINC000862407790 646442707 /nfs/dbraw/zinc/44/27/07/646442707.db2.gz NGXASRBAGCQCLF-CYBMUJFWSA-N 0 1 287.363 2.360 20 10 CECDMN COc1ccc(N2CC[C@H](NCc3cnc(C)o3)C2)cc1 ZINC000862407791 646443126 /nfs/dbraw/zinc/44/31/26/646443126.db2.gz NGXASRBAGCQCLF-ZDUSSCGKSA-N 0 1 287.363 2.360 20 10 CECDMN C[N@H+](Cc1c([O-])ccc2ccccc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322544 646703920 /nfs/dbraw/zinc/70/39/20/646703920.db2.gz XNULMWDXWLPLAX-BETUJISGSA-N 0 1 284.359 2.241 20 10 CECDMN C[N@@H+](Cc1c([O-])ccc2ccccc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322544 646703924 /nfs/dbraw/zinc/70/39/24/646703924.db2.gz XNULMWDXWLPLAX-BETUJISGSA-N 0 1 284.359 2.241 20 10 CECDMN Cc1cc(Br)c([O-])c(CN(C)C[C@@H](C)[NH3+])c1 ZINC000863651377 646777107 /nfs/dbraw/zinc/77/71/07/646777107.db2.gz HEGQVKUFLHMJMB-SECBINFHSA-N 0 1 287.201 2.242 20 10 CECDMN [O-]c1c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)ccc(F)c1F ZINC000864051755 646872030 /nfs/dbraw/zinc/87/20/30/646872030.db2.gz QUMVGQPWBHWCHM-OAHLLOKOSA-N 0 1 283.318 2.407 20 10 CECDMN COc1c([O-])c(C[N@H+]2C[C@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774904283 646907355 /nfs/dbraw/zinc/90/73/55/646907355.db2.gz GBWMWDRGOFEXPN-AOOOYVTPSA-N 0 1 280.324 2.397 20 10 CECDMN COc1c([O-])c(C[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000775057246 646919918 /nfs/dbraw/zinc/91/99/18/646919918.db2.gz NBMRWCBWJRXKFG-UHFFFAOYSA-N 0 1 264.281 2.071 20 10 CECDMN COc1c([O-])c(C[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000775057246 646919924 /nfs/dbraw/zinc/91/99/24/646919924.db2.gz NBMRWCBWJRXKFG-UHFFFAOYSA-N 0 1 264.281 2.071 20 10 CECDMN CC[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(Cl)ccc1[O-] ZINC000775522914 646963010 /nfs/dbraw/zinc/96/30/10/646963010.db2.gz BQDGEZGNEGPESF-JSGCOSHPSA-N 0 1 285.771 2.238 20 10 CECDMN COc1cc(C)cc(CN2CCO[C@H](C3CC3)C2)c1O ZINC000776770780 647088767 /nfs/dbraw/zinc/08/87/67/647088767.db2.gz CEAMEOORDNILKS-HNNXBMFYSA-N 0 1 277.364 2.320 20 10 CECDMN CCCn1cc(CNCCCSc2nccs2)nn1 ZINC000865468351 647308545 /nfs/dbraw/zinc/30/85/45/647308545.db2.gz GRQSSLVDPPJJTE-UHFFFAOYSA-N 0 1 297.453 2.417 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](CO)C2)c(Cl)c1 ZINC000865663392 647413850 /nfs/dbraw/zinc/41/38/50/647413850.db2.gz QUUVEUHOUPIQEF-AOOOYVTPSA-N 0 1 255.745 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[O-]c1c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)ccc(F)c1F ZINC000703420056 809651702 /nfs/dbraw/zinc/65/17/02/809651702.db2.gz DFVQYFZNVRTTBC-QWRGUYRKSA-N 0 1 269.291 2.139 20 10 CECDMN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137837504 809780202 /nfs/dbraw/zinc/78/02/02/809780202.db2.gz JLHHADJTHMXGBT-MNOVXSKESA-N 0 1 281.327 2.305 20 10 CECDMN CO[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000706533955 809834095 /nfs/dbraw/zinc/83/40/95/809834095.db2.gz WLYOCJYWAMBHLN-XYPYZODXSA-N 0 1 286.169 2.422 20 10 CECDMN CC[C@@H]([NH2+]Cc1c([O-])cccc1Br)[C@@H](C)O ZINC000706831401 809856758 /nfs/dbraw/zinc/85/67/58/809856758.db2.gz CKAVPEPDDAPNOQ-LDYMZIIASA-N 0 1 288.185 2.404 20 10 CECDMN CN(C)C1(C[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000706881111 809863699 /nfs/dbraw/zinc/86/36/99/809863699.db2.gz NOCGGHPSTQYYTH-UHFFFAOYSA-N 0 1 299.212 2.339 20 10 CECDMN C[C@@]1(F)CCN(Cc2c(O)cc(O)cc2O)C[C@H]1F ZINC001144504098 814092354 /nfs/dbraw/zinc/09/23/54/814092354.db2.gz LSPFYFGBVALFLJ-CHWSQXEVSA-N 0 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C[N@@H+](C1CC1)[C@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140584453 816293403 /nfs/dbraw/zinc/29/34/03/816293403.db2.gz RRDFKMJJOICEKY-LBPRGKRZSA-N 0 1 282.334 2.339 20 10 CECDMN COC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140585448 816294774 /nfs/dbraw/zinc/29/47/74/816294774.db2.gz IZJFREWUKXZGRL-SECBINFHSA-N 0 1 285.290 2.055 20 10 CECDMN CN(C)c1ccc(CN2CC(C3COC3)C2)c(Cl)c1 ZINC001140921964 816411113 /nfs/dbraw/zinc/41/11/13/816411113.db2.gz YKLATANTYHNWLU-UHFFFAOYSA-N 0 1 280.799 2.484 20 10 CECDMN COc1cc(O)c(CN2CCC[C@@H]2CF)c(OC)c1 ZINC001141032467 816453034 /nfs/dbraw/zinc/45/30/34/816453034.db2.gz DIXMTEFCMHDFEO-SNVBAGLBSA-N 0 1 269.316 2.343 20 10 CECDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC001142508495 816676813 /nfs/dbraw/zinc/67/68/13/816676813.db2.gz ASLLBTCJVRPDRM-JTQLQIEISA-N 0 1 271.307 2.265 20 10 CECDMN C[N@@H+]1CCC[C@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142530649 816681036 /nfs/dbraw/zinc/68/10/36/816681036.db2.gz IYKKGBLMWJBRSG-IINYFYTJSA-N 0 1 282.334 2.196 20 10 CECDMN C[N@H+]1CCC[C@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142530649 816681039 /nfs/dbraw/zinc/68/10/39/816681039.db2.gz IYKKGBLMWJBRSG-IINYFYTJSA-N 0 1 282.334 2.196 20 10 CECDMN CC(C)[NH+]1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000160200272 344457809 /nfs/dbraw/zinc/45/78/09/344457809.db2.gz WQGKODCBNVBETQ-UHFFFAOYSA-N 0 1 252.333 2.057 20 10 CECDMN CCCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000111235243 364724651 /nfs/dbraw/zinc/72/46/51/364724651.db2.gz KIHOXFZNLSFSFP-LBPRGKRZSA-N 0 1 264.369 2.129 20 10 CECDMN CCN(CC)c1ccc(CN(C)Cc2nnc[nH]2)cc1F ZINC000179793131 368352318 /nfs/dbraw/zinc/35/23/18/368352318.db2.gz FAQUYLCURZEURJ-UHFFFAOYSA-N 0 1 291.374 2.422 20 10 CECDMN CCCCCN(CC(N)=O)Cc1cc(F)ccc1O ZINC000180807172 368396841 /nfs/dbraw/zinc/39/68/41/368396841.db2.gz YJDFWXUNEYRLLF-UHFFFAOYSA-N 0 1 268.332 2.009 20 10 CECDMN C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180853905 368399587 /nfs/dbraw/zinc/39/95/87/368399587.db2.gz QJYPRXPLJIEKTG-NXEZZACHSA-N 0 1 255.745 2.248 20 10 CECDMN COc1ccc(N2CCN(C[C@H]3CC[C@@H](C)O3)CC2)cc1 ZINC000188535270 369371174 /nfs/dbraw/zinc/37/11/74/369371174.db2.gz NOIMNTOFLLAMJY-RHSMWYFYSA-N 0 1 290.407 2.385 20 10 CECDMN COC(=O)[C@@]1(C)CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271193921 373175168 /nfs/dbraw/zinc/17/51/68/373175168.db2.gz RQFGEWKDULQHAG-AWEZNQCLSA-N 0 1 283.755 2.431 20 10 CECDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271193921 373175175 /nfs/dbraw/zinc/17/51/75/373175175.db2.gz RQFGEWKDULQHAG-AWEZNQCLSA-N 0 1 283.755 2.431 20 10 CECDMN C[C@H]1OCC[C@]12C[N@@H+](Cc1cccc(Cl)c1[O-])CCO2 ZINC000279702511 374958496 /nfs/dbraw/zinc/95/84/96/374958496.db2.gz RITZWNCYFBFARK-ABAIWWIYSA-N 0 1 297.782 2.425 20 10 CECDMN Cc1cc(Br)cc(C[N@@H+](C)CCCO)c1O ZINC000281808537 375395518 /nfs/dbraw/zinc/39/55/18/375395518.db2.gz PYFVQDWGFCJETH-UHFFFAOYSA-N 0 1 288.185 2.277 20 10 CECDMN COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185467009 262056095 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[O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000271171231 394749954 /nfs/dbraw/zinc/74/99/54/394749954.db2.gz IXCGPEPTUKRXMK-LLVKDONJSA-N 0 1 285.771 2.019 20 10 CECDMN COc1cc(Cl)cc(CN2C[C@H](O)C3(CC3)C2)c1O ZINC000364445105 394904160 /nfs/dbraw/zinc/90/41/60/394904160.db2.gz DFVNGGBDUORXOW-LBPRGKRZSA-N 0 1 283.755 2.011 20 10 CECDMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000373739229 395065431 /nfs/dbraw/zinc/06/54/31/395065431.db2.gz VOHJHMFYEHLAQR-BHYNMZESSA-N 0 1 294.782 2.131 20 10 CECDMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000373739229 395065434 /nfs/dbraw/zinc/06/54/34/395065434.db2.gz VOHJHMFYEHLAQR-BHYNMZESSA-N 0 1 294.782 2.131 20 10 CECDMN CC(C)(CO)[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000290897607 395118923 /nfs/dbraw/zinc/11/89/23/395118923.db2.gz LVEWKRVUAKQNTA-CQSZACIVSA-N 0 1 267.344 2.418 20 10 CECDMN CN(Cc1ccccc1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000179560784 395195446 /nfs/dbraw/zinc/19/54/46/395195446.db2.gz RRVNNBMKZFSZFA-ZFWWWQNUSA-N 0 1 297.420 2.180 20 10 CECDMN CS[C@@H](CO)[C@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000152451216 261064486 /nfs/dbraw/zinc/06/44/86/261064486.db2.gz CIAMCBCNGCWLQU-UFBFGSQYSA-N 0 1 275.801 2.248 20 10 CECDMN COC(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000159197039 261180709 /nfs/dbraw/zinc/18/07/09/261180709.db2.gz ICPTXDKKRQZORT-UHFFFAOYSA-N 0 1 294.370 2.277 20 10 CECDMN C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cc(Cl)ccc1[O-] ZINC000294061490 265004854 /nfs/dbraw/zinc/00/48/54/265004854.db2.gz HECYWSHUASRZHS-JLLWLGSASA-N 0 1 285.771 2.236 20 10 CECDMN Cc1cc(Cl)cc(CN2CCNC(=O)C[C@@H]2C)c1O ZINC000367667622 267107761 /nfs/dbraw/zinc/10/77/61/267107761.db2.gz CBWUBRJDJFVOPC-JTQLQIEISA-N 0 1 282.771 2.064 20 10 CECDMN O=C1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@H](C2CC2)N1 ZINC000370285888 267306904 /nfs/dbraw/zinc/30/69/04/267306904.db2.gz QOAYWTWUAJMRDL-WFASDCNBSA-N 0 1 294.782 2.192 20 10 CECDMN COc1ccc(O)c(CN2CCOCC23CCC3)c1 ZINC000180321139 329219704 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ZINC000801544754 631286787 /nfs/dbraw/zinc/28/67/87/631286787.db2.gz UGTMVLHDZMRQEF-GFCCVEGCSA-N 0 1 286.379 2.402 20 10 CECDMN COC[C@H]1CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000840084579 631809808 /nfs/dbraw/zinc/80/98/08/631809808.db2.gz UNROUXIZXALRLZ-GFCCVEGCSA-N 0 1 258.321 2.161 20 10 CECDMN COC[C@H]1CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000840084579 631809813 /nfs/dbraw/zinc/80/98/13/631809813.db2.gz UNROUXIZXALRLZ-GFCCVEGCSA-N 0 1 258.321 2.161 20 10 CECDMN Cc1nccnc1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000815153998 632973572 /nfs/dbraw/zinc/97/35/72/632973572.db2.gz IQNDOXOXIIADGA-UHFFFAOYSA-N 0 1 277.755 2.476 20 10 CECDMN [O-]c1c(C[NH2+]CCCn2ccnn2)ccc2ccccc21 ZINC000816567882 633414505 /nfs/dbraw/zinc/41/45/05/633414505.db2.gz OLTPTEWCVMEFHI-UHFFFAOYSA-N 0 1 282.347 2.317 20 10 CECDMN OC[C@]1(F)CCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816601131 633420737 /nfs/dbraw/zinc/42/07/37/633420737.db2.gz SJDLNWKUWVBZSB-LBPRGKRZSA-N 0 1 277.698 2.091 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000816667891 633460666 /nfs/dbraw/zinc/46/06/66/633460666.db2.gz YYDLDQFBEGUTGE-GFCCVEGCSA-N 0 1 255.745 2.392 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000816667891 633460670 /nfs/dbraw/zinc/46/06/70/633460670.db2.gz YYDLDQFBEGUTGE-GFCCVEGCSA-N 0 1 255.745 2.392 20 10 CECDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000817415503 633654442 /nfs/dbraw/zinc/65/44/42/633654442.db2.gz XYRHDMCTJDDMMK-KOLCDFICSA-N 0 1 255.745 2.391 20 10 CECDMN CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000817881987 633751727 /nfs/dbraw/zinc/75/17/27/633751727.db2.gz SXBWLSFAVAUUHI-AAEUAGOBSA-N 0 1 293.363 2.334 20 10 CECDMN COC[C@@](C)(O)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824559596 635450661 /nfs/dbraw/zinc/45/06/61/635450661.db2.gz WDTPCFQUNDJKJH-KRWDZBQOSA-N 0 1 289.375 2.423 20 10 CECDMN CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824913174 635523746 /nfs/dbraw/zinc/52/37/46/635523746.db2.gz KHHAWZZIJLPPHR-SNVBAGLBSA-N 0 1 284.787 2.168 20 10 CECDMN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824913174 635523749 /nfs/dbraw/zinc/52/37/49/635523749.db2.gz KHHAWZZIJLPPHR-SNVBAGLBSA-N 0 1 284.787 2.168 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(C)C2)cc1Cl ZINC000825247909 635599351 /nfs/dbraw/zinc/59/93/51/635599351.db2.gz ZNVPHNMOOLPVGT-NSHDSACASA-N 0 1 254.761 2.148 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCc2cnccn2)cc1Cl ZINC000825400459 635631069 /nfs/dbraw/zinc/63/10/69/635631069.db2.gz LJDVAVJOANPBRT-UHFFFAOYSA-N 0 1 277.755 2.476 20 10 CECDMN [O-]c1c(F)cc(Cl)cc1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420143 635631465 /nfs/dbraw/zinc/63/14/65/635631465.db2.gz DATHLTYWFVMGKU-GXSJLCMTSA-N 0 1 284.762 2.226 20 10 CECDMN Oc1ccc(Cl)c(F)c1CN1CC[C@H](O)C(F)(F)C1 ZINC000826958438 636173135 /nfs/dbraw/zinc/17/31/35/636173135.db2.gz PYGNBZNFMNBXPR-JTQLQIEISA-N 0 1 295.688 2.387 20 10 CECDMN O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000826995679 636182675 /nfs/dbraw/zinc/18/26/75/636182675.db2.gz ZDVGYYNVRXUWFK-GFCCVEGCSA-N 0 1 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2.098 20 10 CECDMN CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140465422 802949415 /nfs/dbraw/zinc/94/94/15/802949415.db2.gz MWOBLJNCTAWGRL-LBPRGKRZSA-N 0 1 282.771 2.098 20 10 CECDMN CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140465422 802949420 /nfs/dbraw/zinc/94/94/20/802949420.db2.gz MWOBLJNCTAWGRL-LBPRGKRZSA-N 0 1 282.771 2.098 20 10 CECDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724813911 803301194 /nfs/dbraw/zinc/30/11/94/803301194.db2.gz ITDAMGGBJVWBFU-MFKMUULPSA-N 0 1 251.301 2.142 20 10 CECDMN C[C@H]1C[N@@H+](Cc2c([O-])c(F)ccc2F)CCC[C@@H]1O ZINC001139684783 814759514 /nfs/dbraw/zinc/75/95/14/814759514.db2.gz LIZQFJPPKHKJCM-ZANVPECISA-N 0 1 271.307 2.263 20 10 CECDMN COc1ccc(CN2CCO[C@H](C(C)C)C2)c(O)c1 ZINC000709024452 803667484 /nfs/dbraw/zinc/66/74/84/803667484.db2.gz BTRXAESUYRXHQL-HNNXBMFYSA-N 0 1 265.353 2.258 20 10 CECDMN C[C@@H]1C[C@@H](C)CCN1Cc1cc(O)c(O)c(O)c1 ZINC001233013704 807356727 /nfs/dbraw/zinc/35/67/27/807356727.db2.gz SDISOHVHMOBCKH-VHSXEESVSA-N 0 1 251.326 2.424 20 10 CECDMN Cc1nc(C)c(C[N@H+]2CCc3cccc(O)c3C2)[nH]1 ZINC001234644174 807700715 /nfs/dbraw/zinc/70/07/15/807700715.db2.gz ADHFIDXIKMKONY-UHFFFAOYSA-N 0 1 257.337 2.290 20 10 CECDMN Cc1nc(C)c(CN2CCc3cccc(O)c3C2)[nH]1 ZINC001234644174 807700718 /nfs/dbraw/zinc/70/07/18/807700718.db2.gz ADHFIDXIKMKONY-UHFFFAOYSA-N 0 1 257.337 2.290 20 10 CECDMN [NH3+][C@]12CC[C@@H]1CN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001235997985 807916868 /nfs/dbraw/zinc/91/68/68/807916868.db2.gz ZZJBAOXTTAYQGM-MFKMUULPSA-N 0 1 286.297 2.334 20 10 CECDMN Oc1c(CN2CCO[C@@H](C(F)(F)F)C2)ccc(F)c1F ZINC000703437869 809652401 /nfs/dbraw/zinc/65/24/01/809652401.db2.gz OBNLWXYSJGFBDP-SECBINFHSA-N 0 1 297.223 2.434 20 10 CECDMN COC[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703597073 809667081 /nfs/dbraw/zinc/66/70/81/809667081.db2.gz WXZOHLKWTWLJEU-VIFPVBQESA-N 0 1 257.280 2.139 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCCO1 ZINC000691430885 811661454 /nfs/dbraw/zinc/66/14/54/811661454.db2.gz UMNNKHHMFLZRSV-LLVKDONJSA-N 0 1 286.169 2.423 20 10 CECDMN Cc1cc(CN2C[C@@H](F)C[C@H](CO)C2)ccc1N(C)C ZINC001139669564 815619336 /nfs/dbraw/zinc/61/93/36/815619336.db2.gz AZJFOSJCMVXXBS-GJZGRUSLSA-N 0 1 280.387 2.213 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2c([O-])c(F)ccc2F)CC[C@H]1O ZINC001139683270 814731481 /nfs/dbraw/zinc/73/14/81/814731481.db2.gz COYNCVNDEBBGNB-NOZJJQNGSA-N 0 1 271.307 2.263 20 10 CECDMN O=C1CC[C@]2(CCC[N@H+](Cc3c([O-])cccc3F)C2)O1 ZINC001137840313 815695618 /nfs/dbraw/zinc/69/56/18/815695618.db2.gz XCJSBLAMCFLAFE-HNNXBMFYSA-N 0 1 279.311 2.203 20 10 CECDMN O=C(N[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1)C1CC1 ZINC001138131381 815735877 /nfs/dbraw/zinc/73/58/77/815735877.db2.gz YLBJMWOMVAVDID-CYBMUJFWSA-N 0 1 292.354 2.022 20 10 CECDMN CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138130655 815736801 /nfs/dbraw/zinc/73/68/01/815736801.db2.gz FHIMJKCCJYKKOC-GFCCVEGCSA-N 0 1 280.343 2.022 20 10 CECDMN CCN(Cc1ccc2c(c1)CCCN2C)C1COC1 ZINC001138357012 815775325 /nfs/dbraw/zinc/77/53/25/815775325.db2.gz YFISDFYLGKZCJE-UHFFFAOYSA-N 0 1 260.381 2.290 20 10 CECDMN N[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001206229796 816072180 /nfs/dbraw/zinc/07/21/80/816072180.db2.gz RNNUQMQGODNAHW-NSHDSACASA-N 0 1 296.239 2.136 20 10 CECDMN N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001206229796 816072187 /nfs/dbraw/zinc/07/21/87/816072187.db2.gz RNNUQMQGODNAHW-NSHDSACASA-N 0 1 296.239 2.136 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001139684054 816081383 /nfs/dbraw/zinc/08/13/83/816081383.db2.gz GMMYYOKXBDSHRF-AWEZNQCLSA-N 0 1 289.297 2.357 20 10 CECDMN CC(C)[N@@H+](CCCO)Cc1c([O-])c(F)ccc1F ZINC001139683222 816082293 /nfs/dbraw/zinc/08/22/93/816082293.db2.gz IGLVBPBUDDCVIJ-UHFFFAOYSA-N 0 1 259.296 2.263 20 10 CECDMN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684423 816082338 /nfs/dbraw/zinc/08/23/38/816082338.db2.gz JQRVROAUBFIBTG-NXEZZACHSA-N 0 1 299.317 2.444 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@]12CCOC2 ZINC001139686589 816083700 /nfs/dbraw/zinc/08/37/00/816083700.db2.gz BNLOTAPIRWRHKX-ZDUSSCGKSA-N 0 1 255.264 2.035 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@@]12CCOC2 ZINC001139686589 816083703 /nfs/dbraw/zinc/08/37/03/816083703.db2.gz BNLOTAPIRWRHKX-ZDUSSCGKSA-N 0 1 255.264 2.035 20 10 CECDMN CCCNC(=O)[C@H]1CCCCN1Cc1cc(F)ccc1O ZINC001140055123 816179546 /nfs/dbraw/zinc/17/95/46/816179546.db2.gz JZTRCTBNFUCMCB-CQSZACIVSA-N 0 1 294.370 2.412 20 10 CECDMN CN1CC2(C1)CC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140464189 816261098 /nfs/dbraw/zinc/26/10/98/816261098.db2.gz FWKFLYHIOAFGHD-UHFFFAOYSA-N 0 1 266.772 2.183 20 10 CECDMN CN1CC2(C1)CC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140464189 816261102 /nfs/dbraw/zinc/26/11/02/816261102.db2.gz FWKFLYHIOAFGHD-UHFFFAOYSA-N 0 1 266.772 2.183 20 10 CECDMN C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140465690 816261776 /nfs/dbraw/zinc/26/17/76/816261776.db2.gz RISGFOQCTAYYPK-SKDRFNHKSA-N 0 1 255.745 2.391 20 10 CECDMN C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140465690 816261781 /nfs/dbraw/zinc/26/17/81/816261781.db2.gz RISGFOQCTAYYPK-SKDRFNHKSA-N 0 1 255.745 2.391 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001140582639 816290952 /nfs/dbraw/zinc/29/09/52/816290952.db2.gz LCRXJMIWDHAGSQ-CQSZACIVSA-N 0 1 289.297 2.357 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001140582038 816291480 /nfs/dbraw/zinc/29/14/80/816291480.db2.gz ADPXYDKPPUYFRV-SKDRFNHKSA-N 0 1 291.244 2.136 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001140582038 816291486 /nfs/dbraw/zinc/29/14/86/816291486.db2.gz ADPXYDKPPUYFRV-SKDRFNHKSA-N 0 1 291.244 2.136 20 10 CECDMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])cc(F)cc1F ZINC001140581741 816291781 /nfs/dbraw/zinc/29/17/81/816291781.db2.gz YSCMWMVGYDIXJA-AOOOYVTPSA-N 0 1 267.275 2.366 20 10 CECDMN CCN(CC)c1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000840995590 816617341 /nfs/dbraw/zinc/61/73/41/816617341.db2.gz WZVBTRBJWXDQQS-AWEZNQCLSA-N 0 1 276.380 2.439 20 10 CECDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCOC1 ZINC000132069753 366115556 /nfs/dbraw/zinc/11/55/56/366115556.db2.gz CSIRMKFQCFKDDD-JTQLQIEISA-N 0 1 286.715 2.175 20 10 CECDMN [O-]c1ccc(Br)cc1C[NH2+]CCCCCO ZINC000076275399 363532613 /nfs/dbraw/zinc/53/26/13/363532613.db2.gz DXVZYLIETNKYBQ-UHFFFAOYSA-N 0 1 288.185 2.407 20 10 CECDMN CCN(Cc1cc(C)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000016839691 361498109 /nfs/dbraw/zinc/49/81/09/361498109.db2.gz VBRDRJRLRNPYFY-CQSZACIVSA-N 0 1 297.420 2.018 20 10 CECDMN CCOC(=O)[C@H]1CCCN1Cc1cccc(C)c1O ZINC000180763698 368395014 /nfs/dbraw/zinc/39/50/14/368395014.db2.gz ZMZGRISQWLOYLX-CYBMUJFWSA-N 0 1 263.337 2.228 20 10 CECDMN CCC(CC)(CO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226617715 370349301 /nfs/dbraw/zinc/34/93/01/370349301.db2.gz QHCLOTREURCZNJ-UHFFFAOYSA-N 0 1 255.333 2.420 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000226646649 370349808 /nfs/dbraw/zinc/34/98/08/370349808.db2.gz YJJLDLGQHFUNJQ-SECBINFHSA-N 0 1 269.650 2.058 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000236533737 370590481 /nfs/dbraw/zinc/59/04/81/370590481.db2.gz DYGGNQYNPIVWDG-NXEZZACHSA-N 0 1 255.745 2.296 20 10 CECDMN CCc1nc(CN2CC=C(c3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000364288802 372716852 /nfs/dbraw/zinc/71/68/52/372716852.db2.gz IHPJEBCRUNCLBA-UHFFFAOYSA-N 0 1 297.406 2.332 20 10 CECDMN CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC000271993499 373251876 /nfs/dbraw/zinc/25/18/76/373251876.db2.gz SEWYZFPIQKAXKG-JOYOIKCWSA-N 0 1 255.745 2.248 20 10 CECDMN Cc1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)c(O)c1O ZINC000273567458 373764072 /nfs/dbraw/zinc/76/40/72/373764072.db2.gz HOACPKLXPSKPQF-UHFFFAOYSA-N 0 1 288.307 2.044 20 10 CECDMN COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC000374674221 374626157 /nfs/dbraw/zinc/62/61/57/374626157.db2.gz AVPLRLHPNUBEOM-MLGOLLRUSA-N 0 1 293.338 2.306 20 10 CECDMN COCCn1cc(C[NH2+]Cc2c([O-])cccc2Cl)cn1 ZINC000282187903 375423780 /nfs/dbraw/zinc/42/37/80/375423780.db2.gz ZZYVTMGDTHAZDI-UHFFFAOYSA-N 0 1 295.770 2.178 20 10 CECDMN CCCCN(Cc1ccccc1O)C(=O)CN(C)C ZINC000282424782 375482203 /nfs/dbraw/zinc/48/22/03/375482203.db2.gz HAQKHVKTQVDLGX-UHFFFAOYSA-N 0 1 264.369 2.083 20 10 CECDMN COCCOCC[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000288407774 376376911 /nfs/dbraw/zinc/37/69/11/376376911.db2.gz BUTQIFNHYVYHBI-UHFFFAOYSA-N 0 1 267.369 2.104 20 10 CECDMN COC[C@H]1CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000293780068 377754857 /nfs/dbraw/zinc/75/48/57/377754857.db2.gz ZDERBXKDXDILCT-GFCCVEGCSA-N 0 1 252.333 2.112 20 10 CECDMN C[N@@H+]1C[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])C[C@H]2C1 ZINC000294569622 377997499 /nfs/dbraw/zinc/99/74/99/377997499.db2.gz GIMFKURNAAWCRD-PHIMTYICSA-N 0 1 284.762 2.178 20 10 CECDMN CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000295122739 378043587 /nfs/dbraw/zinc/04/35/87/378043587.db2.gz NLIPYOLMIJBKPB-LLVKDONJSA-N 0 1 298.770 2.318 20 10 CECDMN CCNC(=O)C(C)(C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000120930047 394787745 /nfs/dbraw/zinc/78/77/45/394787745.db2.gz WECQRASCKJFWSU-UHFFFAOYSA-N 0 1 284.787 2.298 20 10 CECDMN Cc1ccc(O)c(CN2CCN(Cc3ccccn3)CC2)c1 ZINC000121966458 394807342 /nfs/dbraw/zinc/80/73/42/394807342.db2.gz DJRGUVSCARVRFB-UHFFFAOYSA-N 0 1 297.402 2.413 20 10 CECDMN O=C1NC[C@]2(CCCN(Cc3cc(Cl)ccc3O)C2)O1 ZINC000372689035 395045070 /nfs/dbraw/zinc/04/50/70/395045070.db2.gz JIGRJSFZWWUZFU-AWEZNQCLSA-N 0 1 296.754 2.120 20 10 CECDMN CC(C)NC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298747280 395363290 /nfs/dbraw/zinc/36/32/90/395363290.db2.gz ZUADSMGHOQWAFP-UHFFFAOYSA-N 0 1 289.423 2.242 20 10 CECDMN CCOc1cccc(CN2CCO[C@@H](C)[C@@H]2C)c1O ZINC000093418098 260275875 /nfs/dbraw/zinc/27/58/75/260275875.db2.gz ZXYYXRRXVCHLMX-RYUDHWBXSA-N 0 1 265.353 2.400 20 10 CECDMN CC(=O)NC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000155585757 261103806 /nfs/dbraw/zinc/10/38/06/261103806.db2.gz SIMBVBVFXSYUHD-LBPRGKRZSA-N 0 1 296.798 2.394 20 10 CECDMN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000155585757 261103808 /nfs/dbraw/zinc/10/38/08/261103808.db2.gz SIMBVBVFXSYUHD-LBPRGKRZSA-N 0 1 296.798 2.394 20 10 CECDMN CC(=O)NC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000155585837 261104095 /nfs/dbraw/zinc/10/40/95/261104095.db2.gz SIMBVBVFXSYUHD-GFCCVEGCSA-N 0 1 296.798 2.394 20 10 CECDMN CC(=O)NC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000155585837 261104097 /nfs/dbraw/zinc/10/40/97/261104097.db2.gz SIMBVBVFXSYUHD-GFCCVEGCSA-N 0 1 296.798 2.394 20 10 CECDMN C[C@H](C[NH2+]Cc1cc(Br)ccc1[O-])N(C)C ZINC000163889068 261333844 /nfs/dbraw/zinc/33/38/44/261333844.db2.gz PPNSKYLRDJPJBO-SECBINFHSA-N 0 1 287.201 2.194 20 10 CECDMN C[C@H]([NH2+]CC1(CO)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000186149509 262081659 /nfs/dbraw/zinc/08/16/59/262081659.db2.gz GFRRXTBQPLNNRE-NSHDSACASA-N 0 1 299.798 2.485 20 10 CECDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000370687147 267339888 /nfs/dbraw/zinc/33/98/88/267339888.db2.gz 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CCOc1ccc(CN2CC(c3nc(C)no3)C2)c(O)c1 ZINC000839131207 644168410 /nfs/dbraw/zinc/16/84/10/644168410.db2.gz PCSLFNKPEZGLCB-UHFFFAOYSA-N 0 1 289.335 2.082 20 10 CECDMN CC(C)C1(O)CN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000839133490 644170440 /nfs/dbraw/zinc/17/04/40/644170440.db2.gz PURJSFFNQAWICK-UHFFFAOYSA-N 0 1 273.735 2.387 20 10 CECDMN CCONC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804869922 644252199 /nfs/dbraw/zinc/25/21/99/644252199.db2.gz IPIRZHPBCHYJBH-UHFFFAOYSA-N 0 1 279.123 2.450 20 10 CECDMN Cc1nccnc1[C@@H](C)NCc1cc(F)ccc1O ZINC000877828601 650924692 /nfs/dbraw/zinc/92/46/92/650924692.db2.gz MPEIFJVYWUDINF-SNVBAGLBSA-N 0 1 261.300 2.481 20 10 CECDMN COc1ccc(O)c(CNCc2cn(C)nc2Cl)c1 ZINC000856771014 644716912 /nfs/dbraw/zinc/71/69/12/644716912.db2.gz VYPSLMADNQGFQZ-UHFFFAOYSA-N 0 1 281.743 2.078 20 10 CECDMN CCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805134530 644784545 /nfs/dbraw/zinc/78/45/45/644784545.db2.gz BTZJCBVCUOUBQK-UHFFFAOYSA-N 0 1 284.164 2.138 20 10 CECDMN 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OJPDYWQJHXJIJM-JOYOIKCWSA-N 0 1 282.771 2.050 20 10 CECDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCc1ccccc1O ZINC000769362357 646251808 /nfs/dbraw/zinc/25/18/08/646251808.db2.gz IURMWGCSYNNVGF-UHFFFAOYSA-N 0 1 299.252 2.373 20 10 CECDMN CCOc1cccc(CN(C)Cc2cn[nH]c2)c1O ZINC000769428077 646265054 /nfs/dbraw/zinc/26/50/54/646265054.db2.gz ZYAHSKLAQJQLBJ-UHFFFAOYSA-N 0 1 261.325 2.146 20 10 CECDMN CCn1nncc1C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000862434247 646459381 /nfs/dbraw/zinc/45/93/81/646459381.db2.gz SQROFJMFNYVNBL-UHFFFAOYSA-N 0 1 282.347 2.447 20 10 CECDMN COC(=O)c1coc(CNCc2cc(C)ccc2O)c1 ZINC000862476456 646473093 /nfs/dbraw/zinc/47/30/93/646473093.db2.gz UUSHVHDDKQVMFH-UHFFFAOYSA-N 0 1 275.304 2.370 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@@H+](CCO)CC1CC1 ZINC000775662859 646977357 /nfs/dbraw/zinc/97/73/57/646977357.db2.gz WRGMCVIEONXZOE-UHFFFAOYSA-N 0 1 255.745 2.250 20 10 CECDMN CN(Cc1ccc(N2CCN(C)CC2)cc1)CC(F)F ZINC000775661726 646977384 /nfs/dbraw/zinc/97/73/84/646977384.db2.gz AECAOXSNGHWKRA-UHFFFAOYSA-N 0 1 283.366 2.135 20 10 CECDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC(C)(C)O ZINC000775699455 646982356 /nfs/dbraw/zinc/98/23/56/646982356.db2.gz DGWISOWNRPTIIT-UHFFFAOYSA-N 0 1 261.724 2.387 20 10 CECDMN CC[N@@H+](CCCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775717070 646983897 /nfs/dbraw/zinc/98/38/97/646983897.db2.gz QYYPWKRTQGQIKI-UHFFFAOYSA-N 0 1 261.724 2.389 20 10 CECDMN C[C@@]1(O)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775734149 646985876 /nfs/dbraw/zinc/98/58/76/646985876.db2.gz LUHDCBKXQDPUJB-GFCCVEGCSA-N 0 1 259.708 2.141 20 10 CECDMN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779088638 647286553 /nfs/dbraw/zinc/28/65/53/647286553.db2.gz SPIJDKVWCPCRTD-MFKMUULPSA-N 0 1 255.333 2.418 20 10 CECDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000865711812 647434331 /nfs/dbraw/zinc/43/43/31/647434331.db2.gz RBBUYFJXUDIPQW-LHLIQPBNSA-N 0 1 283.677 2.447 20 10 CECDMN C[C@H](O)[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000780786877 647470430 /nfs/dbraw/zinc/47/04/30/647470430.db2.gz OOMABHGYTBRZJW-UWVGGRQHSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@H](O)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000780786877 647470431 /nfs/dbraw/zinc/47/04/31/647470431.db2.gz OOMABHGYTBRZJW-UWVGGRQHSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000780787559 647471019 /nfs/dbraw/zinc/47/10/19/647471019.db2.gz VYBROLNIGNDUBS-BDAKNGLRSA-N 0 1 273.735 2.387 20 10 CECDMN CCc1cnc(/C=C2/C(=O)NN(c3ccccc3)C2=O)s1 ZINC000783707223 647749802 /nfs/dbraw/zinc/74/98/02/647749802.db2.gz NUMDJPSFXCUTLA-WQLSENKSSA-N 0 1 299.355 2.167 20 10 CECDMN C[N@@H+](CCCCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000788268436 648167443 /nfs/dbraw/zinc/16/74/43/648167443.db2.gz CDEXNPKOUJMAQR-UHFFFAOYSA-N 0 1 261.724 2.389 20 10 CECDMN Oc1ccc(Cl)c(F)c1CN1C[C@H](O)CC(F)(F)C1 ZINC000792179070 648619503 /nfs/dbraw/zinc/61/95/03/648619503.db2.gz FOHSURKCUAFHKP-SSDOTTSWSA-N 0 1 295.688 2.387 20 10 CECDMN COc1ccc(CNC(=O)c2n[nH]c3ccccc32)c(O)c1 ZINC000794382434 648860624 /nfs/dbraw/zinc/86/06/24/648860624.db2.gz WUBNQBFKFVEVGS-UHFFFAOYSA-N 0 1 297.314 2.207 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CCC(O)CC1 ZINC000019918832 649677617 /nfs/dbraw/zinc/67/76/17/649677617.db2.gz QXIYEIZITHKHAU-UHFFFAOYSA-N 0 1 255.745 2.439 20 10 CECDMN CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000128188093 651382420 /nfs/dbraw/zinc/38/24/20/651382420.db2.gz GTVBHBAFISVKRL-VXGBXAGGSA-N 0 1 255.745 2.295 20 10 CECDMN [O-]c1cccc(Br)c1C[NH2+]CCCCCO ZINC000706804738 802837430 /nfs/dbraw/zinc/83/74/30/802837430.db2.gz OQBMCSVOQDGMTN-UHFFFAOYSA-N 0 1 288.185 2.407 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000693424113 802898086 /nfs/dbraw/zinc/89/80/86/802898086.db2.gz OFYTWQCQLZGVPT-IUODEOHRSA-N 0 1 276.380 2.295 20 10 CECDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000725002376 803390445 /nfs/dbraw/zinc/39/04/45/803390445.db2.gz VCNNEWGQSDPDAV-ATVVMRJVSA-N 0 1 298.180 2.158 20 10 CECDMN COc1cc([O-])c(C[NH+]2CC(C3COC3)C2)cc1Cl ZINC001232266961 807238419 /nfs/dbraw/zinc/23/84/19/807238419.db2.gz TWLYBHWZPQCASP-UHFFFAOYSA-N 0 1 283.755 2.132 20 10 CECDMN CC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233335255 807396780 /nfs/dbraw/zinc/39/67/80/807396780.db2.gz NRIWLHJAYPLJDU-SNVBAGLBSA-N 0 1 269.291 2.471 20 10 CECDMN CN1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703327111 809638299 /nfs/dbraw/zinc/63/82/99/809638299.db2.gz GGTZPVWCGNBQNP-SNVBAGLBSA-N 0 1 270.323 2.102 20 10 CECDMN C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(F)c(F)c1[O-] ZINC000703457315 809650808 /nfs/dbraw/zinc/65/08/08/809650808.db2.gz CNZPWXQEOSMULM-PWSUYJOCSA-N 0 1 282.334 2.339 20 10 CECDMN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137838529 809805134 /nfs/dbraw/zinc/80/51/34/809805134.db2.gz BZGFQTHRYRCSOP-HNNXBMFYSA-N 0 1 281.327 2.306 20 10 CECDMN CO[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706809513 809855817 /nfs/dbraw/zinc/85/58/17/809855817.db2.gz CSOQWCJMFFURHI-KYZUINATSA-N 0 1 286.169 2.422 20 10 CECDMN CC[C@@H](O)C[NH2+]Cc1c([O-])cccc1Br ZINC000706852267 809858071 /nfs/dbraw/zinc/85/80/71/809858071.db2.gz ZHCDLTZQORKZBM-MRVPVSSYSA-N 0 1 274.158 2.015 20 10 CECDMN C[C@@H](CCO)[NH2+]Cc1c([O-])cccc1Br ZINC000706846448 809858130 /nfs/dbraw/zinc/85/81/30/809858130.db2.gz ITYLADOTDFWPJP-QMMMGPOBSA-N 0 1 274.158 2.015 20 10 CECDMN CC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@@H](C)O ZINC000691486629 811958944 /nfs/dbraw/zinc/95/89/44/811958944.db2.gz AYITYVZVHNWVKC-KCJUWKMLSA-N 0 1 288.185 2.404 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1[O-] ZINC000398774039 813683554 /nfs/dbraw/zinc/68/35/54/813683554.db2.gz BCDLTAGMJSOHOC-JQWIXIFHSA-N 0 1 295.354 2.184 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c1[O-] ZINC000398774039 813683555 /nfs/dbraw/zinc/68/35/55/813683555.db2.gz BCDLTAGMJSOHOC-JQWIXIFHSA-N 0 1 295.354 2.184 20 10 CECDMN [NH3+][C@H]1CN(Cc2ccc(Cl)cc2[O-])CC(F)(F)C1 ZINC001206132018 814620919 /nfs/dbraw/zinc/62/09/19/814620919.db2.gz LWWOAHRYZQPGMB-SNVBAGLBSA-N 0 1 276.714 2.214 20 10 CECDMN C[C@]1(O)CCCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137831462 815690654 /nfs/dbraw/zinc/69/06/54/815690654.db2.gz AOSHAMHBUVKJAB-AWEZNQCLSA-N 0 1 253.317 2.268 20 10 CECDMN [O-]c1cccc(F)c1C[N@H+]1CCCC2(COC2)C1 ZINC001137832747 815692839 /nfs/dbraw/zinc/69/28/39/815692839.db2.gz GNFWXUTXGSYIHF-UHFFFAOYSA-N 0 1 251.301 2.144 20 10 CECDMN C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1c([O-])cccc1F ZINC001137838898 815694370 /nfs/dbraw/zinc/69/43/70/815694370.db2.gz MEERLONKGVDFAF-FZMZJTMJSA-N 0 1 264.344 2.057 20 10 CECDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001138130701 815737010 /nfs/dbraw/zinc/73/70/10/815737010.db2.gz FYDYSWPZHGENTF-LBPRGKRZSA-N 0 1 281.327 2.259 20 10 CECDMN F[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]2C[C@@H]21 ZINC001138495423 815815900 /nfs/dbraw/zinc/81/59/00/815815900.db2.gz JIAJJLIVGTXRRO-XIRDDKMYSA-N 0 1 290.382 2.313 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001139680958 816079879 /nfs/dbraw/zinc/07/98/79/816079879.db2.gz GTUOYRBGQSLDPN-CQSZACIVSA-N 0 1 269.291 2.425 20 10 CECDMN [O-]c1c(F)ccc(F)c1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001139683061 816082622 /nfs/dbraw/zinc/08/26/22/816082622.db2.gz FSRFINMXAJPIQX-LLVKDONJSA-N 0 1 282.334 2.341 20 10 CECDMN C[N@H+]1CCC[C@@H]2CN(Cc3c(F)ccc(F)c3[O-])C[C@@H]21 ZINC001139687570 816083295 /nfs/dbraw/zinc/08/32/95/816083295.db2.gz OZVAEHMUOPDUBH-YGRLFVJLSA-N 0 1 282.334 2.196 20 10 CECDMN CN1CCC[C@@H]2C[N@H+](Cc3c(F)ccc(F)c3[O-])C[C@@H]21 ZINC001139687570 816083304 /nfs/dbraw/zinc/08/33/04/816083304.db2.gz OZVAEHMUOPDUBH-YGRLFVJLSA-N 0 1 282.334 2.196 20 10 CECDMN CN1CCC[C@@H]2C[N@@H+](Cc3c(F)ccc(F)c3[O-])C[C@@H]21 ZINC001139687570 816083314 /nfs/dbraw/zinc/08/33/14/816083314.db2.gz OZVAEHMUOPDUBH-YGRLFVJLSA-N 0 1 282.334 2.196 20 10 CECDMN C[N@@H+](Cc1c(F)ccc(F)c1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001139687270 816084386 /nfs/dbraw/zinc/08/43/86/816084386.db2.gz KPUCBCAVRYXNLA-SNVBAGLBSA-N 0 1 299.317 2.398 20 10 CECDMN Cc1ccc(C)c(CN2CC[C@](O)(CF)[C@@H](F)C2)c1O ZINC001140178781 816204732 /nfs/dbraw/zinc/20/47/32/816204732.db2.gz XMNQHSJGFDUZTL-ZFWWWQNUSA-N 0 1 285.334 2.253 20 10 CECDMN C[C@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140461148 816258730 /nfs/dbraw/zinc/25/87/30/816258730.db2.gz FKZJPQBGALHBGB-ZDUSSCGKSA-N 0 1 255.745 2.250 20 10 CECDMN C[C@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140461148 816258735 /nfs/dbraw/zinc/25/87/35/816258735.db2.gz FKZJPQBGALHBGB-ZDUSSCGKSA-N 0 1 255.745 2.250 20 10 CECDMN O=C1NC[C@@]2(CCCN(Cc3ccc(Cl)cc3O)C2)O1 ZINC001140464750 816260254 /nfs/dbraw/zinc/26/02/54/816260254.db2.gz BTLOOUQBIRBXRY-CQSZACIVSA-N 0 1 296.754 2.120 20 10 CECDMN O=C1NC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)O1 ZINC001140464750 816260256 /nfs/dbraw/zinc/26/02/56/816260256.db2.gz BTLOOUQBIRBXRY-CQSZACIVSA-N 0 1 296.754 2.120 20 10 CECDMN O=C1NC[C@@]2(CCC[N@H+](Cc3ccc(Cl)cc3[O-])C2)O1 ZINC001140464750 816260260 /nfs/dbraw/zinc/26/02/60/816260260.db2.gz BTLOOUQBIRBXRY-CQSZACIVSA-N 0 1 296.754 2.120 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC001140584591 816292413 /nfs/dbraw/zinc/29/24/13/816292413.db2.gz XYFJBFDINSOBAY-UHFFFAOYSA-N 0 1 299.317 2.052 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCOC2(CCOCC2)C1 ZINC001140584591 816292419 /nfs/dbraw/zinc/29/24/19/816292419.db2.gz XYFJBFDINSOBAY-UHFFFAOYSA-N 0 1 299.317 2.052 20 10 CECDMN C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531031 816681565 /nfs/dbraw/zinc/68/15/65/816681565.db2.gz NZQARRBUYGYHKV-GFCCVEGCSA-N 0 1 282.334 2.339 20 10 CECDMN C[N@@H+](C1CC1)[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531031 816681568 /nfs/dbraw/zinc/68/15/68/816681568.db2.gz NZQARRBUYGYHKV-GFCCVEGCSA-N 0 1 282.334 2.339 20 10 CECDMN COc1ccc(N2CCN(C[C@H]3CCCCO3)CC2)cc1 ZINC000066313578 343710907 /nfs/dbraw/zinc/71/09/07/343710907.db2.gz LZHMDRDZNAZTJF-QGZVFWFLSA-N 0 1 290.407 2.386 20 10 CECDMN Cc1ccc(O)c(CN(CCO)Cc2cccnc2)c1 ZINC000093086303 344213984 /nfs/dbraw/zinc/21/39/84/344213984.db2.gz NKEWOXJWIUWWDA-UHFFFAOYSA-N 0 1 272.348 2.090 20 10 CECDMN C[NH+](C)Cc1ccc(I)cc1[O-] ZINC000584621733 344967072 /nfs/dbraw/zinc/96/70/72/344967072.db2.gz MYBYLKORRLLMEJ-UHFFFAOYSA-N 0 1 277.105 2.058 20 10 CECDMN C[C@H](NCc1ccc(N(C)C)cc1)c1cnccn1 ZINC000070477685 363089616 /nfs/dbraw/zinc/08/96/16/363089616.db2.gz SCVIYRPDSLBOIZ-LBPRGKRZSA-N 0 1 256.353 2.393 20 10 CECDMN CCC[N@@H+](Cc1ccccc1O)[C@H](CC)C(=O)[O-] ZINC000191414327 283297063 /nfs/dbraw/zinc/29/70/63/283297063.db2.gz NYDNPOMZOHZKCO-GFCCVEGCSA-N 0 1 251.326 2.467 20 10 CECDMN Cc1ccc(O)c(CN2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000091928186 364072520 /nfs/dbraw/zinc/07/25/20/364072520.db2.gz DJLCDXSKEHYRHH-HOTGVXAUSA-N 0 1 277.364 2.080 20 10 CECDMN C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2O)CCN1C ZINC000180196421 368371843 /nfs/dbraw/zinc/37/18/43/368371843.db2.gz NFFSJWFTAWWQTR-BXUZGUMPSA-N 0 1 266.360 2.446 20 10 CECDMN CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000179637618 368345874 /nfs/dbraw/zinc/34/58/74/368345874.db2.gz BPBOKTMEHGSCOV-LBPRGKRZSA-N 0 1 282.771 2.098 20 10 CECDMN COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179643820 368346033 /nfs/dbraw/zinc/34/60/33/368346033.db2.gz LWLDCHSRYOGSDJ-NSHDSACASA-N 0 1 283.755 2.431 20 10 CECDMN C[C@H](NCc1nnc2n1CCCC2)c1ccccc1O ZINC000179897699 368357213 /nfs/dbraw/zinc/35/72/13/368357213.db2.gz MDIOSSXPSZRYDN-NSHDSACASA-N 0 1 272.352 2.171 20 10 CECDMN CCOC(=O)N[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000179933110 368358438 /nfs/dbraw/zinc/35/84/38/368358438.db2.gz IQJHFZRCZAXGEH-CYBMUJFWSA-N 0 1 296.342 2.242 20 10 CECDMN CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(F)ccc2O)C1 ZINC000180225235 368373178 /nfs/dbraw/zinc/37/31/78/368373178.db2.gz OAZOTJRRSGBDTF-GFCCVEGCSA-N 0 1 266.360 2.305 20 10 CECDMN CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(F)ccc2O)C1 ZINC000180225235 368373185 /nfs/dbraw/zinc/37/31/85/368373185.db2.gz OAZOTJRRSGBDTF-GFCCVEGCSA-N 0 1 266.360 2.305 20 10 CECDMN Cc1cccc(CN2CCC[C@@H]2c2nncn2C)c1O ZINC000180561741 368386653 /nfs/dbraw/zinc/38/66/53/368386653.db2.gz RSGWMZLEDJLPNI-CYBMUJFWSA-N 0 1 272.352 2.166 20 10 CECDMN COc1ccc(O)c(CN[C@@H](CCO)c2ccco2)c1 ZINC000187528949 369173805 /nfs/dbraw/zinc/17/38/05/369173805.db2.gz JNXVMRIKPNXQSY-ZDUSSCGKSA-N 0 1 277.320 2.207 20 10 CECDMN CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000189611539 369546188 /nfs/dbraw/zinc/54/61/88/369546188.db2.gz UJFDTUZSEWXJQI-INIZCTEOSA-N 0 1 295.354 2.471 20 10 CECDMN CC[C@@]1(CO)CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000189611539 369546195 /nfs/dbraw/zinc/54/61/95/369546195.db2.gz UJFDTUZSEWXJQI-INIZCTEOSA-N 0 1 295.354 2.471 20 10 CECDMN CC[C@]1(C)CN(Cc2cccc(OC)c2O)CCO1 ZINC000191153438 369685566 /nfs/dbraw/zinc/68/55/66/369685566.db2.gz UCXYDISFOVLTBK-OAHLLOKOSA-N 0 1 265.353 2.402 20 10 CECDMN CC(C)(C)[C@H](CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000231075719 370474734 /nfs/dbraw/zinc/47/47/34/370474734.db2.gz WJLLNCHNZPILGL-ZDUSSCGKSA-N 0 1 255.333 2.418 20 10 CECDMN Oc1c(Cl)cccc1CN1CCN(CC(F)F)CC1 ZINC000271722440 373199800 /nfs/dbraw/zinc/19/98/00/373199800.db2.gz KMFPFXQJKILOPC-UHFFFAOYSA-N 0 1 290.741 2.428 20 10 CECDMN [O-]c1c(Cl)cccc1C[NH+]1CCN(CC(F)F)CC1 ZINC000271722440 373199808 /nfs/dbraw/zinc/19/98/08/373199808.db2.gz KMFPFXQJKILOPC-UHFFFAOYSA-N 0 1 290.741 2.428 20 10 CECDMN CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC000271993496 373252127 /nfs/dbraw/zinc/25/21/27/373252127.db2.gz SEWYZFPIQKAXKG-BXKDBHETSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@@H]([NH2+]CCN(C)C)c1cc(Br)ccc1[O-] ZINC000286871797 376089876 /nfs/dbraw/zinc/08/98/76/376089876.db2.gz BVUBDMYWADYXRF-SECBINFHSA-N 0 1 287.201 2.367 20 10 CECDMN C[N@@H+](CCCCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000294583019 377998742 /nfs/dbraw/zinc/99/87/42/377998742.db2.gz GYVSKTUPFDXVAE-UHFFFAOYSA-N 0 1 261.724 2.389 20 10 CECDMN Cc1ccccc1[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000294833595 378022353 /nfs/dbraw/zinc/02/23/53/378022353.db2.gz SOSYDXXMGQKGSV-QGZVFWFLSA-N 0 1 297.402 2.377 20 10 CECDMN COc1ccc(CNCc2n[nH]c(C3CC3)n2)cc1C ZINC000294889606 378026447 /nfs/dbraw/zinc/02/64/47/378026447.db2.gz WISWWUKVWJRVDA-UHFFFAOYSA-N 0 1 272.352 2.289 20 10 CECDMN COc1cccc(CNCc2cccc(OC)c2O)n1 ZINC000105460054 394721484 /nfs/dbraw/zinc/72/14/84/394721484.db2.gz UYRUDIXOCSHGNP-UHFFFAOYSA-N 0 1 274.320 2.094 20 10 CECDMN CC[C@@H]1CO[C@@H](C)CN1Cc1cccc(OC)c1O ZINC000131504832 394912660 /nfs/dbraw/zinc/91/26/60/394912660.db2.gz CNMVDKRPJPKOBB-WCQYABFASA-N 0 1 265.353 2.400 20 10 CECDMN COc1ccc(O)c(CN2C[C@H](C)OC(C)(C)C2)c1 ZINC000133110929 394944404 /nfs/dbraw/zinc/94/44/04/394944404.db2.gz PEESGMKIUUGAGP-NSHDSACASA-N 0 1 265.353 2.400 20 10 CECDMN COc1cccc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)c1O ZINC000133113865 394945241 /nfs/dbraw/zinc/94/52/41/394945241.db2.gz PHUDOVWOSOFASB-LLVKDONJSA-N 0 1 265.353 2.400 20 10 CECDMN COc1cccc(CN2C[C@@H](C)OC(C)(C)C2)c1O ZINC000133113865 394945244 /nfs/dbraw/zinc/94/52/44/394945244.db2.gz PHUDOVWOSOFASB-LLVKDONJSA-N 0 1 265.353 2.400 20 10 CECDMN C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@]2(CCOC2)O1 ZINC000373498533 395061973 /nfs/dbraw/zinc/06/19/73/395061973.db2.gz ZLLCVKPGRLYJJS-ABAIWWIYSA-N 0 1 297.782 2.425 20 10 CECDMN O=S(=O)(Nc1ccc(O)cc1)c1ccc(Cl)nc1 ZINC000006919718 170255321 /nfs/dbraw/zinc/25/53/21/170255321.db2.gz HOBAUBSYTCGBKD-UHFFFAOYSA-N 0 1 284.724 2.241 20 10 CECDMN CN1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000037267113 173077133 /nfs/dbraw/zinc/07/71/33/173077133.db2.gz QRZDMZZRNPNJPL-UHFFFAOYSA-N 0 1 254.761 2.229 20 10 CECDMN CN(C)c1ccc(CN2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000093611444 260522543 /nfs/dbraw/zinc/52/25/43/260522543.db2.gz KIKGAURDJBVFKY-CYBMUJFWSA-N 0 1 288.313 2.252 20 10 CECDMN O=C1CCCN1[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000276815690 263038036 /nfs/dbraw/zinc/03/80/36/263038036.db2.gz OQOPVEWTJGIVIX-NSHDSACASA-N 0 1 294.782 2.242 20 10 CECDMN O=C1CCCN1[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000276815690 263038037 /nfs/dbraw/zinc/03/80/37/263038037.db2.gz OQOPVEWTJGIVIX-NSHDSACASA-N 0 1 294.782 2.242 20 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ZINC000826877338 635868747 /nfs/dbraw/zinc/86/87/47/635868747.db2.gz DXKQEHYCNDZRJG-MRXNPFEDSA-N 0 1 277.364 2.402 20 10 CECDMN NC(=O)N1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816499328 633400673 /nfs/dbraw/zinc/40/06/73/633400673.db2.gz LWZKPJWEVDPWBM-UHFFFAOYSA-N 0 1 299.374 2.132 20 10 CECDMN NC(=O)N1CCC[N@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816499328 633400676 /nfs/dbraw/zinc/40/06/76/633400676.db2.gz LWZKPJWEVDPWBM-UHFFFAOYSA-N 0 1 299.374 2.132 20 10 CECDMN NC(=O)N1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816499328 633400682 /nfs/dbraw/zinc/40/06/82/633400682.db2.gz LWZKPJWEVDPWBM-UHFFFAOYSA-N 0 1 299.374 2.132 20 10 CECDMN CC(C)C(=O)NCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816529006 633407753 /nfs/dbraw/zinc/40/77/53/633407753.db2.gz CBJLISPHSARANS-UHFFFAOYSA-N 0 1 286.375 2.407 20 10 CECDMN COCCOCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816539468 633409346 /nfs/dbraw/zinc/40/93/46/633409346.db2.gz HFTCGXPGTQIVCG-UHFFFAOYSA-N 0 1 275.348 2.298 20 10 CECDMN COC[C@@H](CCO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552752 633411334 /nfs/dbraw/zinc/41/13/34/633411334.db2.gz VDNJBQLIPFJKDH-CQSZACIVSA-N 0 1 275.348 2.032 20 10 CECDMN Oc1cc(F)c(Cl)cc1CN1C[C@H](O)CC(F)(F)C1 ZINC000816589063 633418472 /nfs/dbraw/zinc/41/84/72/633418472.db2.gz KPJVPQULVXZYJX-MRVPVSSYSA-N 0 1 295.688 2.387 20 10 CECDMN COC[C@H]1CC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000816637057 633453777 /nfs/dbraw/zinc/45/37/77/633453777.db2.gz PTRVPCFBESWIKQ-SNVBAGLBSA-N 0 1 286.169 2.375 20 10 CECDMN O=C(NCc1ccccc1O)c1cc2[nH]cnc2cc1F ZINC000816912031 633486169 /nfs/dbraw/zinc/48/61/69/633486169.db2.gz HXGATXQAOSNGCH-UHFFFAOYSA-N 0 1 285.278 2.338 20 10 CECDMN Cc1cc(N(C)C)ccc1CN1C[C@H](CO)OC(C)(C)C1 ZINC000817413491 633652204 /nfs/dbraw/zinc/65/22/04/633652204.db2.gz YEYDYRIECPRQMA-MRXNPFEDSA-N 0 1 292.423 2.033 20 10 CECDMN Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC000818631263 633966854 /nfs/dbraw/zinc/96/68/54/633966854.db2.gz DQYAMRFHPMFLKT-BXUZGUMPSA-N 0 1 263.337 2.386 20 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CECDMN C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000825130116 635574473 /nfs/dbraw/zinc/57/44/73/635574473.db2.gz NIYNCMBICUVXNC-MFKMUULPSA-N 0 1 285.771 2.017 20 10 CECDMN C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000825130116 635574475 /nfs/dbraw/zinc/57/44/75/635574475.db2.gz NIYNCMBICUVXNC-MFKMUULPSA-N 0 1 285.771 2.017 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H](C)CO)cc1Cl ZINC000825297702 635607750 /nfs/dbraw/zinc/60/77/50/635607750.db2.gz LHFZXYACTHRGIC-VHSXEESVSA-N 0 1 257.761 2.461 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@H]2CN(C)CCO2)cc1Cl ZINC000825357519 635624706 /nfs/dbraw/zinc/62/47/06/635624706.db2.gz GJJADXAFSATVMF-IAQYHMDHSA-N 0 1 298.814 2.163 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)C2CC2)cc1Cl ZINC000825916603 635731064 /nfs/dbraw/zinc/73/10/64/635731064.db2.gz QNNRWSBPMMLOQT-ZDUSSCGKSA-N 0 1 255.745 2.215 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cnn2c1CCC2 ZINC000826139792 635765476 /nfs/dbraw/zinc/76/54/76/635765476.db2.gz 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CC[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000846187992 641216424 /nfs/dbraw/zinc/21/64/24/641216424.db2.gz DNXOKBLKLVXGQE-UBHAPETDSA-N 0 1 282.771 2.350 20 10 CECDMN CCN(C)c1ccc(C[N@@H+](C)[C@H](C)C(=O)[O-])cc1 ZINC000846224227 641233691 /nfs/dbraw/zinc/23/36/91/641233691.db2.gz HZRLNLWLCRSWDB-LLVKDONJSA-N 0 1 250.342 2.048 20 10 CECDMN CCN(C)c1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)cc1 ZINC000846283368 641260408 /nfs/dbraw/zinc/26/04/08/641260408.db2.gz DRQBKNOSBVVEDA-IUODEOHRSA-N 0 1 276.380 2.438 20 10 CECDMN Cc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]2C)ccc1N(C)C ZINC000846285074 641261029 /nfs/dbraw/zinc/26/10/29/641261029.db2.gz NLCZCKOHWZSQSM-OCCSQVGLSA-N 0 1 276.380 2.356 20 10 CECDMN Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)c(C)o1 ZINC000182419238 641658789 /nfs/dbraw/zinc/65/87/89/641658789.db2.gz WUJPHLJPNFAIPI-UHFFFAOYSA-N 0 1 267.306 2.403 20 10 CECDMN COC[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000071270399 641733043 /nfs/dbraw/zinc/73/30/43/641733043.db2.gz 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[O-]c1cccc(Cl)c1C[N@@H+](CCCO)C1CC1 ZINC000769405698 646260999 /nfs/dbraw/zinc/26/09/99/646260999.db2.gz WSOKEOCNYMBCDS-UHFFFAOYSA-N 0 1 255.745 2.392 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@H+](CCCO)C1CC1 ZINC000769405698 646261004 /nfs/dbraw/zinc/26/10/04/646261004.db2.gz WSOKEOCNYMBCDS-UHFFFAOYSA-N 0 1 255.745 2.392 20 10 CECDMN C[C@@]1(O)CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862249957 646381381 /nfs/dbraw/zinc/38/13/81/646381381.db2.gz BGXDRNGFXJWIHV-GFCCVEGCSA-N 0 1 286.169 2.111 20 10 CECDMN C[C@@]1(O)CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862249957 646381385 /nfs/dbraw/zinc/38/13/85/646381385.db2.gz BGXDRNGFXJWIHV-GFCCVEGCSA-N 0 1 286.169 2.111 20 10 CECDMN COC(=O)c1occc1CNCc1cc(C)ccc1O ZINC000862475896 646472987 /nfs/dbraw/zinc/47/29/87/646472987.db2.gz BAJLVFKGRNDUDN-UHFFFAOYSA-N 0 1 275.304 2.370 20 10 CECDMN Cc1ccc(O)c(CNC(=O)c2ccc(CN(C)C)nc2)c1 ZINC000862755794 646557852 /nfs/dbraw/zinc/55/78/52/646557852.db2.gz KYCDISVLSKJQSY-UHFFFAOYSA-N 0 1 299.374 2.087 20 10 CECDMN CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(F)cc1[O-] ZINC000863542020 646751671 /nfs/dbraw/zinc/75/16/71/646751671.db2.gz DJUWHNZCQOTFOF-JIMOISOXSA-N 0 1 252.333 2.322 20 10 CECDMN CC[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cc(Cl)ccc1[O-] ZINC000775514001 646961359 /nfs/dbraw/zinc/96/13/59/646961359.db2.gz QMVCMVOXGVYEOJ-GZMMTYOYSA-N 0 1 270.760 2.350 20 10 CECDMN CCN(CC(=O)OC)Cc1cc(Cl)cc(F)c1O ZINC000775676333 646979263 /nfs/dbraw/zinc/97/92/63/646979263.db2.gz QWQUSYCJPFAFED-UHFFFAOYSA-N 0 1 275.707 2.180 20 10 CECDMN CCCN(Cc1ccccc1O)C(=O)Cc1ccn[nH]1 ZINC000121663734 647918148 /nfs/dbraw/zinc/91/81/48/647918148.db2.gz SLTACDRFFLAAHD-UHFFFAOYSA-N 0 1 273.336 2.097 20 10 CECDMN COCC[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCOC1 ZINC000787335921 648100366 /nfs/dbraw/zinc/10/03/66/648100366.db2.gz VONBCYVFQAGIAZ-CYBMUJFWSA-N 0 1 285.771 2.283 20 10 CECDMN COCC[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCOC1 ZINC000787335921 648100368 /nfs/dbraw/zinc/10/03/68/648100368.db2.gz VONBCYVFQAGIAZ-CYBMUJFWSA-N 0 1 285.771 2.283 20 10 CECDMN C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000788269416 648165993 /nfs/dbraw/zinc/16/59/93/648165993.db2.gz NITHILVXFLXPDM-LDYMZIIASA-N 0 1 286.169 2.110 20 10 CECDMN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000788269416 648165995 /nfs/dbraw/zinc/16/59/95/648165995.db2.gz NITHILVXFLXPDM-LDYMZIIASA-N 0 1 286.169 2.110 20 10 CECDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000788270794 648167835 /nfs/dbraw/zinc/16/78/35/648167835.db2.gz RURAHZQUSDUWCY-XCBNKYQSSA-N 0 1 259.708 2.140 20 10 CECDMN O=C(Nc1ccc2n[nH]cc2c1)c1c(F)ccc(O)c1O ZINC000789953033 648362206 /nfs/dbraw/zinc/36/22/06/648362206.db2.gz NGAMFEHMVBNSRR-UHFFFAOYSA-N 0 1 287.250 2.366 20 10 CECDMN CC(C)c1cc(NC(=O)c2c(F)ccc(O)c2O)n[nH]1 ZINC000790068838 648377917 /nfs/dbraw/zinc/37/79/17/648377917.db2.gz DVWRXLZGPNTESE-UHFFFAOYSA-N 0 1 279.271 2.336 20 10 CECDMN CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000840826235 648400595 /nfs/dbraw/zinc/40/05/95/648400595.db2.gz 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CECDMN [O-]c1cccc(Cl)c1C[NH2+]CCOC[C@H]1CCOC1 ZINC000733328398 574664492 /nfs/dbraw/zinc/66/44/92/574664492.db2.gz SZNNJLAGFFAVPL-NSHDSACASA-N 0 1 285.771 2.188 20 10 CECDMN Cc1n[nH]c(C(=O)NCCCSc2nccs2)c1C ZINC000734435972 574713155 /nfs/dbraw/zinc/71/31/55/574713155.db2.gz OYKJKGNVIRYCSM-UHFFFAOYSA-N 0 1 296.421 2.395 20 10 CECDMN COc1cccc(CNCc2cccc(F)n2)c1O ZINC000747937438 575176771 /nfs/dbraw/zinc/17/67/71/575176771.db2.gz GLCNURRCHAACBH-UHFFFAOYSA-N 0 1 262.284 2.225 20 10 CECDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000817779116 597481148 /nfs/dbraw/zinc/48/11/48/597481148.db2.gz AIEXGWLAZQBTDV-SECBINFHSA-N 0 1 281.352 2.300 20 10 CECDMN CC(C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000086739774 604949637 /nfs/dbraw/zinc/94/96/37/604949637.db2.gz VNUCPMXTOCPUAE-UHFFFAOYSA-N 0 1 257.717 2.341 20 10 CECDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000833827912 605682422 /nfs/dbraw/zinc/68/24/22/605682422.db2.gz BRGRVYOEQDQUKP-OCCSQVGLSA-N 0 1 291.395 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Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)no1 ZINC000896230216 630504269 /nfs/dbraw/zinc/50/42/69/630504269.db2.gz IVBFBWWBSUJQHC-SNVBAGLBSA-N 0 1 295.289 2.351 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H]2COC[C@H]2C)cc1Cl ZINC000896732571 630651868 /nfs/dbraw/zinc/65/18/68/630651868.db2.gz IMRUGQXHSQUVCA-SKDRFNHKSA-N 0 1 255.745 2.479 20 10 CECDMN C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(Cl)cc1[O-] ZINC000841755103 631775537 /nfs/dbraw/zinc/77/55/37/631775537.db2.gz NLZMGRSKSJWNDZ-BXKDBHETSA-N 0 1 282.771 2.317 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCC1(F)F ZINC000811780534 632444817 /nfs/dbraw/zinc/44/48/17/632444817.db2.gz OKYWLVRPEXVOBP-RNCFNFMXSA-N 0 1 299.317 2.295 20 10 CECDMN CC(C)(C)N1CC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000899173301 632728148 /nfs/dbraw/zinc/72/81/48/632728148.db2.gz LZQVVFMFQZTKPN-ZDUSSCGKSA-N 0 1 274.364 2.107 20 10 CECDMN CCOc1ccc(CNCc2snnc2C)c(O)c1 ZINC000813790677 632735549 /nfs/dbraw/zinc/73/55/49/632735549.db2.gz YFJPIPFFIPGEFV-UHFFFAOYSA-N 0 1 279.365 2.241 20 10 CECDMN C[C@H]([NH2+]C1COCCOC1)c1cc(Cl)ccc1[O-] ZINC000813878585 632751295 /nfs/dbraw/zinc/75/12/95/632751295.db2.gz CFVOIKCTVOKSJW-VIFPVBQESA-N 0 1 271.744 2.112 20 10 CECDMN COC[C@H]1CN(Cc2ccc3ccccc3c2O)CCO1 ZINC000816513196 633403957 /nfs/dbraw/zinc/40/39/57/633403957.db2.gz JMLBPGGUWXMUPL-OAHLLOKOSA-N 0 1 287.359 2.393 20 10 CECDMN CS(=O)(=O)CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816548110 633410435 /nfs/dbraw/zinc/41/04/35/633410435.db2.gz VARXDSQWYHJTOS-UHFFFAOYSA-N 0 1 293.388 2.070 20 10 CECDMN C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000817412872 633651742 /nfs/dbraw/zinc/65/17/42/633651742.db2.gz PYLOVZPLEBUADB-GHMZBOCLSA-N 0 1 269.772 2.496 20 10 CECDMN C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000817412872 633651747 /nfs/dbraw/zinc/65/17/47/633651747.db2.gz PYLOVZPLEBUADB-GHMZBOCLSA-N 0 1 269.772 2.496 20 10 CECDMN C[C@H]1C[C@H]([NH2+]CC2(CC(N)=O)CC2)c2c1c(F)ccc2[O-] ZINC000817586555 633702648 /nfs/dbraw/zinc/70/26/48/633702648.db2.gz PMGZWQBQGBACMG-ONGXEEELSA-N 0 1 292.354 2.325 20 10 CECDMN CCOc1ccc(O)c(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000817880798 633750422 /nfs/dbraw/zinc/75/04/22/633750422.db2.gz GWDRGXOCPBHRGU-VXGBXAGGSA-N 0 1 293.363 2.476 20 10 CECDMN C[C@@H](N[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817945275 633791923 /nfs/dbraw/zinc/79/19/23/633791923.db2.gz YSIHXDKKYWHDAB-RKDXNWHRSA-N 0 1 274.286 2.424 20 10 CECDMN C[C@@H]([NH2+]C[C@H](C)N)c1cc(Br)c(F)cc1[O-] ZINC000817973454 633817720 /nfs/dbraw/zinc/81/77/20/633817720.db2.gz UCMPBEUIHOOPHI-NKWVEPMBSA-N 0 1 291.164 2.292 20 10 CECDMN Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC000818631264 633966605 /nfs/dbraw/zinc/96/66/05/633966605.db2.gz DQYAMRFHPMFLKT-FZMZJTMJSA-N 0 1 263.337 2.386 20 10 CECDMN COc1cccc(CN(C(C)C)C2COC2)c1O ZINC000824471819 635433957 /nfs/dbraw/zinc/43/39/57/635433957.db2.gz HRKPXBVDIVDTOM-UHFFFAOYSA-N 0 1 251.326 2.010 20 10 CECDMN COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824576085 635455460 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Cc1cc([O-])c(C[NH2+]CCN2CCOC[C@H]2C)cc1Cl ZINC000825425997 635636524 /nfs/dbraw/zinc/63/65/24/635636524.db2.gz SGOHJAPRTUGSAF-GFCCVEGCSA-N 0 1 298.814 2.164 20 10 CECDMN COCCOCC[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825944115 635737264 /nfs/dbraw/zinc/73/72/64/635737264.db2.gz QIEAOYRCQPOHLW-UHFFFAOYSA-N 0 1 287.787 2.449 20 10 CECDMN COCCOCC[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825944115 635737269 /nfs/dbraw/zinc/73/72/69/635737269.db2.gz QIEAOYRCQPOHLW-UHFFFAOYSA-N 0 1 287.787 2.449 20 10 CECDMN CN1CC(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000827125987 636225818 /nfs/dbraw/zinc/22/58/18/636225818.db2.gz VCHSFXMWLZBLCL-UHFFFAOYSA-N 0 1 272.751 2.178 20 10 CECDMN O=C1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CC[C@@H]2N1 ZINC000827133053 636229042 /nfs/dbraw/zinc/22/90/42/636229042.db2.gz QVWZBCKVDCVYCV-MFKMUULPSA-N 0 1 294.782 2.146 20 10 CECDMN CN(C)c1ccc(CN2CCO[C@]3(CCSC3)C2)cc1 ZINC000829251489 636811956 /nfs/dbraw/zinc/81/19/56/636811956.db2.gz ZAUPYWXMUDZQPP-MRXNPFEDSA-N 0 1 292.448 2.461 20 10 CECDMN CCCN(Cc1c(C)cccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000876538853 650311941 /nfs/dbraw/zinc/31/19/41/650311941.db2.gz XUPZXSZPYOLWAC-CYBMUJFWSA-N 0 1 297.420 2.100 20 10 CECDMN C[C@@H](NC(=O)C1(N(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000832431576 637575213 /nfs/dbraw/zinc/57/52/13/637575213.db2.gz RCVJJSHJUKOSIP-GFCCVEGCSA-N 0 1 275.396 2.024 20 10 CECDMN CN(Cc1cc2c(cn1)OCCO2)Cc1ccccc1O ZINC000876615574 650360774 /nfs/dbraw/zinc/36/07/74/650360774.db2.gz IFXDXVSPXWDTDR-UHFFFAOYSA-N 0 1 286.331 2.190 20 10 CECDMN CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000834900101 637981186 /nfs/dbraw/zinc/98/11/86/637981186.db2.gz MDYKYEVSJSDNQG-IUCAKERBSA-N 0 1 270.760 2.221 20 10 CECDMN COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1[O-])C(C)C ZINC000876733128 650412939 /nfs/dbraw/zinc/41/29/39/650412939.db2.gz PGPFBENEQXNBRA-UHFFFAOYSA-N 0 1 287.306 2.444 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000840883096 639571159 /nfs/dbraw/zinc/57/11/59/639571159.db2.gz 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C[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccc(N(C)C)cc1 ZINC000773021711 646697130 /nfs/dbraw/zinc/69/71/30/646697130.db2.gz BJOUXAQYAAFXPV-DOMZBBRYSA-N 0 1 275.396 2.024 20 10 CECDMN CCCN(CC(=O)NC)Cc1ccc(N(C)CC)cc1 ZINC000773748143 646771935 /nfs/dbraw/zinc/77/19/35/646771935.db2.gz XBEWXRAWRQBQSW-UHFFFAOYSA-N 0 1 277.412 2.101 20 10 CECDMN CN(Cc1nnc2n1CCC2)Cc1cccc(Cl)c1O ZINC000775645733 646975449 /nfs/dbraw/zinc/97/54/49/646975449.db2.gz PUMIIDUCPSECCD-UHFFFAOYSA-N 0 1 292.770 2.215 20 10 CECDMN Cc1cccc(CN(C)CC(=O)NCc2ccccc2)c1O ZINC000775713464 646983456 /nfs/dbraw/zinc/98/34/56/646983456.db2.gz URXQSJJACKDQQL-UHFFFAOYSA-N 0 1 298.386 2.449 20 10 CECDMN COc1ccc(N2CC[C@@H](NCc3cc(C)no3)C2)cc1 ZINC000865621857 647392299 /nfs/dbraw/zinc/39/22/99/647392299.db2.gz CWZQFMOXLCBMEI-CYBMUJFWSA-N 0 1 287.363 2.360 20 10 CECDMN COc1ccc(N2CC[C@H](NCc3cc(C)no3)C2)cc1 ZINC000865621858 647392561 /nfs/dbraw/zinc/39/25/61/647392561.db2.gz CWZQFMOXLCBMEI-ZDUSSCGKSA-N 0 1 287.363 2.360 20 10 CECDMN COc1ccc(CN[C@H](C)[C@@H](O)C(F)(F)F)cc1C ZINC000865712240 647434841 /nfs/dbraw/zinc/43/48/41/647434841.db2.gz YKZVYGXPLAGWPT-BXKDBHETSA-N 0 1 277.286 2.405 20 10 CECDMN COc1cc(O)c(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1OC ZINC000783545874 647728700 /nfs/dbraw/zinc/72/87/00/647728700.db2.gz VAWRVJXROFMYDR-SRVKXCTJSA-N 0 1 295.379 2.407 20 10 CECDMN COc1cccc(O)c1C[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000784667834 647873877 /nfs/dbraw/zinc/87/38/77/647873877.db2.gz MDOWUUKXESGVFV-XHDPSFHLSA-N 0 1 265.353 2.258 20 10 CECDMN CC(C)[NH+](CCNC(=O)c1c(F)ccc(O)c1[O-])C(C)C ZINC000790065078 648377280 /nfs/dbraw/zinc/37/72/80/648377280.db2.gz HPTDAKKNRFQJCL-UHFFFAOYSA-N 0 1 298.358 2.086 20 10 CECDMN COCc1cnc(CNCc2ccc(OC)cc2O)s1 ZINC000793387563 648749430 /nfs/dbraw/zinc/74/94/30/648749430.db2.gz HFLTVJVCFDVMCL-UHFFFAOYSA-N 0 1 294.376 2.294 20 10 CECDMN CC[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000872141115 649289829 /nfs/dbraw/zinc/28/98/29/649289829.db2.gz MPBZTLMDGSDELD-YRGRVCCFSA-N 0 1 285.771 2.236 20 10 CECDMN CN(C)c1ccc(C[N@H+]2C3CCC2(C(=O)[O-])CC3)cc1 ZINC000872163173 649303891 /nfs/dbraw/zinc/30/38/91/649303891.db2.gz YVEHSYMFIKKYSO-UHFFFAOYSA-N 0 1 274.364 2.334 20 10 CECDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872267282 649334724 /nfs/dbraw/zinc/33/47/24/649334724.db2.gz XDUHOACDHKXZNS-DTORHVGOSA-N 0 1 271.719 2.263 20 10 CECDMN Cn1ccc(CNCc2cc(Cl)ccc2O)n1 ZINC000213179742 652235433 /nfs/dbraw/zinc/23/54/33/652235433.db2.gz BRIOVUNPEXYKTM-UHFFFAOYSA-N 0 1 251.717 2.069 20 10 CECDMN CC1([NH3+])CN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001204993154 805765709 /nfs/dbraw/zinc/76/57/09/805765709.db2.gz CLBAUPGYKSGHJO-UHFFFAOYSA-N 0 1 261.152 2.232 20 10 CECDMN Cc1nc(CC[N@H+](C)Cc2cc(F)c(F)cc2[O-])no1 ZINC001142509142 806609129 /nfs/dbraw/zinc/60/91/29/806609129.db2.gz YMCWDVLZVWCNMU-UHFFFAOYSA-N 0 1 283.278 2.036 20 10 CECDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001142527145 806619432 /nfs/dbraw/zinc/61/94/32/806619432.db2.gz MEWKXHXWOAQVFP-YMTOWFKASA-N 0 1 269.291 2.281 20 10 CECDMN C[C@H](O)C(C)(C)[NH2+]Cc1c([O-])cccc1Br ZINC000706875247 802847647 /nfs/dbraw/zinc/84/76/47/802847647.db2.gz ROCLDPUIRMJJLR-QMMMGPOBSA-N 0 1 288.185 2.404 20 10 CECDMN Cc1c(O)ccc(CN2CCc3cnccc3C2)c1O ZINC001140741950 803511751 /nfs/dbraw/zinc/51/17/51/803511751.db2.gz DXVRBGJWGXBXSB-UHFFFAOYSA-N 0 1 270.332 2.360 20 10 CECDMN Cc1csc(N2CCN(Cc3ccc(N)cc3)CC2)n1 ZINC001120370894 815217487 /nfs/dbraw/zinc/21/74/87/815217487.db2.gz IXLGGCGKRKMQGC-UHFFFAOYSA-N 0 1 288.420 2.356 20 10 CECDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC000083662634 808601081 /nfs/dbraw/zinc/60/10/81/808601081.db2.gz BUNXZMJYICTROD-UHFFFAOYSA-N 0 1 264.369 2.438 20 10 CECDMN Cc1cccc(CN2CCO[C@@H](CCF)C2)c1O ZINC000700587760 809325163 /nfs/dbraw/zinc/32/51/63/809325163.db2.gz CYZKROYKKUAQNQ-ZDUSSCGKSA-N 0 1 253.317 2.261 20 10 CECDMN CCO[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000701708111 809450789 /nfs/dbraw/zinc/45/07/89/809450789.db2.gz CQCOXPRWCFBGDR-ZDUSSCGKSA-N 0 1 281.327 2.345 20 10 CECDMN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(F)c(F)c1[O-] ZINC000703457318 809650355 /nfs/dbraw/zinc/65/03/55/809650355.db2.gz CNZPWXQEOSMULM-ZYHUDNBSSA-N 0 1 282.334 2.339 20 10 CECDMN [O-]c1c(C[N@H+]2CC[C@@]3(CCOC3)C2)ccc(F)c1F ZINC000703481504 809652946 /nfs/dbraw/zinc/65/29/46/809652946.db2.gz GRBGBETVZLOQSA-CQSZACIVSA-N 0 1 269.291 2.283 20 10 CECDMN [O-]c1cccc(Br)c1C[NH2+]CC1(O)CCC1 ZINC000706871516 809858758 /nfs/dbraw/zinc/85/87/58/809858758.db2.gz BWCXFFGFCMDVEZ-UHFFFAOYSA-N 0 1 286.169 2.159 20 10 CECDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Br)N(C)C ZINC000706863376 809858951 /nfs/dbraw/zinc/85/89/51/809858951.db2.gz FLLVJHCJAPKAAA-SECBINFHSA-N 0 1 287.201 2.194 20 10 CECDMN CN1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708397301 809928110 /nfs/dbraw/zinc/92/81/10/809928110.db2.gz BCUJMLIPDMHECE-GFCCVEGCSA-N 0 1 270.323 2.196 20 10 CECDMN CN(Cc1cc(F)cc(F)c1[O-])C[C@H]1CCC[N@@H+]1C ZINC000708397301 809928114 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C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1C(=O)[O-] ZINC000311402405 629437546 /nfs/dbraw/zinc/43/75/46/629437546.db2.gz VOGLVGPFZYPHDD-SKDRFNHKSA-N 0 1 267.300 2.074 20 10 CECDMN COc1cc(C)cc(CN2CCCC3(C2)OCCO3)c1O ZINC000894425327 629454808 /nfs/dbraw/zinc/45/48/08/629454808.db2.gz UPOSBLRBKLOPDC-UHFFFAOYSA-N 0 1 293.363 2.048 20 10 CECDMN CC[C@@]1(O)CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895442949 630187048 /nfs/dbraw/zinc/18/70/48/630187048.db2.gz HTKNTELJRWQXJH-CQSZACIVSA-N 0 1 271.307 2.407 20 10 CECDMN COCC1(O)CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824829895 635506125 /nfs/dbraw/zinc/50/61/25/635506125.db2.gz MTSSTCROJZPCBS-UHFFFAOYSA-N 0 1 299.798 2.327 20 10 CECDMN COc1cccc([O-])c1C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000825091318 635564975 /nfs/dbraw/zinc/56/49/75/635564975.db2.gz YCKDWEKJUFHGHV-LBPRGKRZSA-N 0 1 279.380 2.384 20 10 CECDMN COc1cccc([O-])c1C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000825091318 635564981 /nfs/dbraw/zinc/56/49/81/635564981.db2.gz YCKDWEKJUFHGHV-LBPRGKRZSA-N 0 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/nfs/dbraw/zinc/42/33/47/650423347.db2.gz MZOOXCOFNSQCLG-CYBMUJFWSA-N 0 1 257.280 2.017 20 10 CECDMN COc1cc(C)cc(CN2CCOCC2(C)C)c1O ZINC000164213263 639353937 /nfs/dbraw/zinc/35/39/37/639353937.db2.gz DZKSCRAXUAHDAJ-UHFFFAOYSA-N 0 1 265.353 2.320 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@H](C)CO)c(Cl)c1 ZINC000840898906 639576416 /nfs/dbraw/zinc/57/64/16/639576416.db2.gz HLAYALUWAKGMEO-NXEZZACHSA-N 0 1 257.761 2.461 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(O)CCSC2)c(Cl)c1 ZINC000840902674 639578895 /nfs/dbraw/zinc/57/88/95/639578895.db2.gz SADOVVVEWREFLT-ZDUSSCGKSA-N 0 1 287.812 2.312 20 10 CECDMN CCOc1cccc(CNCc2ccn(CC)n2)c1O ZINC000840956472 639599794 /nfs/dbraw/zinc/59/97/94/639599794.db2.gz SDPIDVJLTXOPHB-UHFFFAOYSA-N 0 1 275.352 2.297 20 10 CECDMN C[C@H](O)C[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000228562086 639644573 /nfs/dbraw/zinc/64/45/73/639644573.db2.gz TYRGURJMKIJYCI-IUCAKERBSA-N 0 1 288.185 2.404 20 10 CECDMN C[NH2+]C[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000843045248 640249960 /nfs/dbraw/zinc/24/99/60/640249960.db2.gz SNGYTCRIZDQYJS-NSHDSACASA-N 0 1 268.788 2.477 20 10 CECDMN Cc1cccc(O)c1CN[C@H](C)c1nnc2n1CCC2 ZINC000877165757 650605470 /nfs/dbraw/zinc/60/54/70/650605470.db2.gz LQVQEOBUNMYWHZ-LLVKDONJSA-N 0 1 272.352 2.089 20 10 CECDMN CCC[N@H+](CCCC(=O)NC)Cc1ccccc1[O-] ZINC000846810621 641434407 /nfs/dbraw/zinc/43/44/07/641434407.db2.gz YSIFOZKWJCZATI-UHFFFAOYSA-N 0 1 264.369 2.130 20 10 CECDMN CCC[N@@H+](CCCC(=O)NC)Cc1ccccc1[O-] ZINC000846810621 641434415 /nfs/dbraw/zinc/43/44/15/641434415.db2.gz YSIFOZKWJCZATI-UHFFFAOYSA-N 0 1 264.369 2.130 20 10 CECDMN COC(=O)[C@H]1C[C@@H](C)CCN1Cc1ccc(C)cc1O ZINC000877415977 650713512 /nfs/dbraw/zinc/71/35/12/650713512.db2.gz FNZYRKQRPCDCCQ-GXTWGEPZSA-N 0 1 277.364 2.474 20 10 CECDMN Cc1ccc(CN2CCO[C@@H](COC(C)C)C2)c(O)c1 ZINC000877402265 650707741 /nfs/dbraw/zinc/70/77/41/650707741.db2.gz AWCSHTLJROJSHS-OAHLLOKOSA-N 0 1 279.380 2.326 20 10 CECDMN CC[C@@H]([NH2+]C[C@@](C)(CO)OC)c1cc(Cl)ccc1[O-] ZINC000848557074 642052103 /nfs/dbraw/zinc/05/21/03/642052103.db2.gz BYQLAIZATGXOHO-OCCSQVGLSA-N 0 1 287.787 2.484 20 10 CECDMN CCc1cccc(CN2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000848891222 642174438 /nfs/dbraw/zinc/17/44/38/642174438.db2.gz XMBITURHDSYJQO-CVEARBPZSA-N 0 1 291.391 2.334 20 10 CECDMN CCc1cccc(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000848891224 642174768 /nfs/dbraw/zinc/17/47/68/642174768.db2.gz XMBITURHDSYJQO-HZPDHXFCSA-N 0 1 291.391 2.334 20 10 CECDMN CCOC(=O)[C@H]1CCCN1Cc1cccc(CC)c1O ZINC000848902936 642180848 /nfs/dbraw/zinc/18/08/48/642180848.db2.gz KQELWIOKQLCUDV-CQSZACIVSA-N 0 1 277.364 2.482 20 10 CECDMN CCc1cccc(CN2C[C@@H](C)O[C@H](COC)C2)c1O ZINC000848905149 642181120 /nfs/dbraw/zinc/18/11/20/642181120.db2.gz HVTVLUBQZGOPQU-DOMZBBRYSA-N 0 1 279.380 2.190 20 10 CECDMN CCS(=O)(=O)C1CCN(Cc2c(C)cccc2O)CC1 ZINC000877480877 650741558 /nfs/dbraw/zinc/74/15/58/650741558.db2.gz MQSKAFIBFCJEEV-UHFFFAOYSA-N 0 1 297.420 2.100 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000850388097 642695530 /nfs/dbraw/zinc/69/55/30/642695530.db2.gz HIQRAKPBNUAVCY-STQMWFEESA-N 0 1 267.756 2.439 20 10 CECDMN COC(OC)[C@@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000922314486 643021601 /nfs/dbraw/zinc/02/16/01/643021601.db2.gz ZBLDXOGFJHZIMA-SECBINFHSA-N 0 1 273.760 2.451 20 10 CECDMN CN(C)c1ccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000086778921 643414905 /nfs/dbraw/zinc/41/49/05/643414905.db2.gz CGAYVXVRDMYMFV-HNNXBMFYSA-N 0 1 262.353 2.049 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](CO)C2)c(Cl)c1 ZINC000923005290 643509484 /nfs/dbraw/zinc/50/94/84/643509484.db2.gz QUUVEUHOUPIQEF-MGCOHNPYSA-N 0 1 255.745 2.215 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1O ZINC000852701916 643519250 /nfs/dbraw/zinc/51/92/50/643519250.db2.gz VTONRMMJIFCCOI-QLJPJBMISA-N 0 1 295.354 2.184 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1[O-] ZINC000852701916 643519255 /nfs/dbraw/zinc/51/92/55/643519255.db2.gz VTONRMMJIFCCOI-QLJPJBMISA-N 0 1 295.354 2.184 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1[O-] ZINC000852701916 643519266 /nfs/dbraw/zinc/51/92/66/643519266.db2.gz VTONRMMJIFCCOI-QLJPJBMISA-N 0 1 295.354 2.184 20 10 CECDMN C[C@@H](N[C@H]1CCc2cccc(O)c21)c1ccn(C)n1 ZINC000840816411 644058156 /nfs/dbraw/zinc/05/81/56/644058156.db2.gz VZKJFOCCJIQVRG-MFKMUULPSA-N 0 1 257.337 2.464 20 10 CECDMN CC1(C)CCCN1CCNC(=O)C1=CC(=O)CS1 ZINC000854892896 644198143 /nfs/dbraw/zinc/19/81/43/644198143.db2.gz AJVDEAMGCAWQDV-UHFFFAOYSA-N 0 1 268.382 2.058 20 10 CECDMN CC(C)n1cc(CN[C@H](C)c2ccccc2O)nn1 ZINC000877755910 650899283 /nfs/dbraw/zinc/89/92/83/650899283.db2.gz SFWBGOZUEHVVAB-LLVKDONJSA-N 0 1 260.341 2.415 20 10 CECDMN Cc1cc(Cl)cc(CN2CCSC[C@@H]2CO)c1O ZINC000877779878 650907615 /nfs/dbraw/zinc/90/76/15/650907615.db2.gz GZRLCVZCLNHSTD-LBPRGKRZSA-N 0 1 287.812 2.264 20 10 CECDMN COc1cccc(CN2CC(C)(C)OC[C@@H]2C)c1O ZINC000754155094 644332239 /nfs/dbraw/zinc/33/22/39/644332239.db2.gz BJDUTAOIIMMAIE-NSHDSACASA-N 0 1 265.353 2.400 20 10 CECDMN CC[S@](=O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756578042 644671290 /nfs/dbraw/zinc/67/12/90/644671290.db2.gz VQAUDESUXOXYQY-XYZCENFISA-N 0 1 275.801 2.465 20 10 CECDMN C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1cc(Cl)ccc1[O-] ZINC000756760218 644690436 /nfs/dbraw/zinc/69/04/36/644690436.db2.gz POJOTZQAJKFVPR-PGUXBMHVSA-N 0 1 298.814 2.415 20 10 CECDMN CCOc1ccc(CNCc2cc(C)ncn2)c(O)c1 ZINC000756989602 644715989 /nfs/dbraw/zinc/71/59/89/644715989.db2.gz FCJPIKRMSHXBLI-UHFFFAOYSA-N 0 1 273.336 2.179 20 10 CECDMN CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000857083978 644811862 /nfs/dbraw/zinc/81/18/62/644811862.db2.gz DYBNFDCOIJNGNG-JOYOIKCWSA-N 0 1 282.771 2.317 20 10 CECDMN CC(C)N(Cc1ccc(N(C)C)cc1)CN1CCC1=O ZINC000857231523 644860596 /nfs/dbraw/zinc/86/05/96/644860596.db2.gz LTKMRYZTMHWRPX-UHFFFAOYSA-N 0 1 275.396 2.153 20 10 CECDMN CCc1nc(CNCc2cc(F)c(N(C)C)cc2F)n[nH]1 ZINC000858171115 645080111 /nfs/dbraw/zinc/08/01/11/645080111.db2.gz UKWZJQGFBIIOLK-UHFFFAOYSA-N 0 1 295.337 2.001 20 10 CECDMN C[C@@]1(O)C[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000858179753 645081447 /nfs/dbraw/zinc/08/14/47/645081447.db2.gz SHFIWDCXBXGKFZ-LYWQIFSTSA-N 0 1 286.169 2.158 20 10 CECDMN C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000858553297 645200034 /nfs/dbraw/zinc/20/00/34/645200034.db2.gz NOGPDOZVAHPUPJ-IUIKQTSFSA-N 0 1 287.359 2.346 20 10 CECDMN O=C(NCc1ccccc1O)c1cccc(-c2nnc[nH]2)c1 ZINC000767773083 646039498 /nfs/dbraw/zinc/03/94/98/646039498.db2.gz LOILXVZYHSEJFO-UHFFFAOYSA-N 0 1 294.314 2.107 20 10 CECDMN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC(C)(C)C ZINC000768447430 646123485 /nfs/dbraw/zinc/12/34/85/646123485.db2.gz OWKBXGLPQFFXHI-ZDUSSCGKSA-N 0 1 265.353 2.296 20 10 CECDMN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC(C)(C)C ZINC000768447430 646123489 /nfs/dbraw/zinc/12/34/89/646123489.db2.gz OWKBXGLPQFFXHI-ZDUSSCGKSA-N 0 1 265.353 2.296 20 10 CECDMN CCOc1ccc(CN2CCOC[C@@H]2CC)c(O)c1 ZINC000768878791 646178039 /nfs/dbraw/zinc/17/80/39/646178039.db2.gz 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C[C@]1(CO)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001119449454 815115398 /nfs/dbraw/zinc/11/53/98/815115398.db2.gz WQDKINSNVPWFHO-CYBMUJFWSA-N 0 1 257.280 2.017 20 10 CECDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001237807952 808258203 /nfs/dbraw/zinc/25/82/03/808258203.db2.gz OUSWYTVMSLZFFK-MNOVXSKESA-N 0 1 277.698 2.089 20 10 CECDMN C[N@@H+]1CC[C@H]2CN(Cc3cc(F)c(Cl)cc3[O-])C[C@H]21 ZINC001237950429 808268258 /nfs/dbraw/zinc/26/82/58/808268258.db2.gz SZWGGVYODLGFHN-TVQRCGJNSA-N 0 1 284.762 2.321 20 10 CECDMN C[N@H+]1CC[C@H]2CN(Cc3cc(F)c(Cl)cc3[O-])C[C@H]21 ZINC001237950429 808268263 /nfs/dbraw/zinc/26/82/63/808268263.db2.gz SZWGGVYODLGFHN-TVQRCGJNSA-N 0 1 284.762 2.321 20 10 CECDMN [NH3+][C@H]1CN(Cc2c([O-])ccc(F)c2Cl)CC(F)(F)C1 ZINC001206145356 815210558 /nfs/dbraw/zinc/21/05/58/815210558.db2.gz GZZXSUZTUMBBOV-SSDOTTSWSA-N 0 1 294.704 2.353 20 10 CECDMN C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701015870 809379879 /nfs/dbraw/zinc/37/98/79/809379879.db2.gz 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815734941 /nfs/dbraw/zinc/73/49/41/815734941.db2.gz OCMCZWINSAJNPU-UHFFFAOYSA-N 0 1 290.382 2.449 20 10 CECDMN CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001138127849 815735176 /nfs/dbraw/zinc/73/51/76/815735176.db2.gz RUYJKKNJGZBVET-AWEZNQCLSA-N 0 1 294.370 2.412 20 10 CECDMN CN1CCCc2cc(CN3C[C@H](CO)C[C@H](F)C3)ccc21 ZINC001138354842 815775272 /nfs/dbraw/zinc/77/52/72/815775272.db2.gz WMMPPJJLLSNSPI-ZBFHGGJFSA-N 0 1 292.398 2.221 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001139686065 816081149 /nfs/dbraw/zinc/08/11/49/816081149.db2.gz MEIXIMFSGCWUGP-RNCFNFMXSA-N 0 1 269.291 2.281 20 10 CECDMN C[C@@H]1CO[C@@H]2C[N@@H+](Cc3c(F)ccc(F)c3[O-])C[C@H]12 ZINC001139686444 816084535 /nfs/dbraw/zinc/08/45/35/816084535.db2.gz ZUAVTHLVLGSAMZ-JRKPZEMJSA-N 0 1 269.291 2.137 20 10 CECDMN CCOC(=O)N1CCN(Cc2c(C)ccc(C)c2O)CC1 ZINC001140182301 816205209 /nfs/dbraw/zinc/20/52/09/816205209.db2.gz OGGFNZDDJKPRMQ-UHFFFAOYSA-N 0 1 292.379 2.283 20 10 CECDMN COC(=O)C[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140342466 816237816 /nfs/dbraw/zinc/23/78/16/816237816.db2.gz KIZYHBZXBNEIKC-SNVBAGLBSA-N 0 1 283.755 2.431 20 10 CECDMN COC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140342466 816237821 /nfs/dbraw/zinc/23/78/21/816237821.db2.gz KIZYHBZXBNEIKC-SNVBAGLBSA-N 0 1 283.755 2.431 20 10 CECDMN C[C@]1(O)CCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466941 816263364 /nfs/dbraw/zinc/26/33/64/816263364.db2.gz NAHQGCUQIQEVIV-ZDUSSCGKSA-N 0 1 255.745 2.392 20 10 CECDMN C[C@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466941 816263368 /nfs/dbraw/zinc/26/33/68/816263368.db2.gz NAHQGCUQIQEVIV-ZDUSSCGKSA-N 0 1 255.745 2.392 20 10 CECDMN Cc1c(O)ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1O ZINC001140743837 816340178 /nfs/dbraw/zinc/34/01/78/816340178.db2.gz AXPVSKVWYDWYGD-SDDRHHMPSA-N 0 1 251.301 2.196 20 10 CECDMN CN(C)c1ccc(CN2CCC(O)CC2)c(Cl)c1 ZINC001140921689 816411166 /nfs/dbraw/zinc/41/11/66/816411166.db2.gz NBYHWDOOVVZDJT-UHFFFAOYSA-N 0 1 268.788 2.363 20 10 CECDMN COCC1CN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140921913 816411338 /nfs/dbraw/zinc/41/13/38/816411338.db2.gz VOZRGKQNPJCTST-UHFFFAOYSA-N 0 1 268.788 2.484 20 10 CECDMN CN(C)C(=O)CCN(C)Cc1ccc(N(C)C)cc1Cl ZINC001140924665 816412984 /nfs/dbraw/zinc/41/29/84/816412984.db2.gz LHQVQEQUDSQIDN-UHFFFAOYSA-N 0 1 297.830 2.316 20 10 CECDMN CCOc1ccc(CN[C@H](C)c2ccn(C)n2)c(O)c1 ZINC000839192944 816567520 /nfs/dbraw/zinc/56/75/20/816567520.db2.gz XWWPFEJDTWRFBO-LLVKDONJSA-N 0 1 275.352 2.375 20 10 CECDMN CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000840995594 816617218 /nfs/dbraw/zinc/61/72/18/816617218.db2.gz WZVBTRBJWXDQQS-CQSZACIVSA-N 0 1 276.380 2.439 20 10 CECDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508522 816676790 /nfs/dbraw/zinc/67/67/90/816676790.db2.gz BTTHMSAQVLXLCG-SECBINFHSA-N 0 1 285.290 2.055 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])CCC[C@@H]1O ZINC001142508646 816677041 /nfs/dbraw/zinc/67/70/41/816677041.db2.gz GOCNEPUKOOYTMJ-RNCFNFMXSA-N 0 1 271.307 2.263 20 10 CECDMN C[C@@H](CC[S@](C)=O)[NH2+]Cc1c([O-])cccc1Cl ZINC000125477211 365677234 /nfs/dbraw/zinc/67/72/34/365677234.db2.gz NDDVLVIBHHKFPX-HUTHGQBESA-N 0 1 275.801 2.292 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1O ZINC000178897940 344504390 /nfs/dbraw/zinc/50/43/90/344504390.db2.gz QUYFZZDENRIZTC-VIFPVBQESA-N 0 1 297.738 2.155 20 10 CECDMN Cc1ccc(O)c(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000091928187 364072646 /nfs/dbraw/zinc/07/26/46/364072646.db2.gz DJLCDXSKEHYRHH-JKSUJKDBSA-N 0 1 277.364 2.080 20 10 CECDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H]1CO ZINC000092455543 364077339 /nfs/dbraw/zinc/07/73/39/364077339.db2.gz OWNNCONXFZRQBE-NSHDSACASA-N 0 1 286.169 2.111 20 10 CECDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H]1CO ZINC000092455543 364077344 /nfs/dbraw/zinc/07/73/44/364077344.db2.gz OWNNCONXFZRQBE-NSHDSACASA-N 0 1 286.169 2.111 20 10 CECDMN CC[NH+](CC)[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000160233619 366985928 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20 10 CECDMN Oc1c(F)cccc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000252758308 334390541 /nfs/dbraw/zinc/39/05/41/334390541.db2.gz BHUKWSKFUJVWCW-ZDUSSCGKSA-N 0 1 264.344 2.201 20 10 CECDMN CCNC(=O)CN(CC)Cc1ccc(N(C)C)c(C)c1 ZINC000293529166 521736591 /nfs/dbraw/zinc/73/65/91/521736591.db2.gz PHHFPRBBFLSXQI-UHFFFAOYSA-N 0 1 277.412 2.019 20 10 CECDMN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CO)c1O ZINC000050152210 518285325 /nfs/dbraw/zinc/28/53/25/518285325.db2.gz JWRQGFYTPPBHKA-ZDUSSCGKSA-N 0 1 281.327 2.081 20 10 CECDMN CC(C)[N@H+](CCO)Cc1cc(Br)ccc1[O-] ZINC000128042174 519649406 /nfs/dbraw/zinc/64/94/06/519649406.db2.gz DVPDIUDQTJNEBR-UHFFFAOYSA-N 0 1 288.185 2.357 20 10 CECDMN CC(C)[N@@H+](CCO)Cc1cc(Br)ccc1[O-] ZINC000128042174 519649410 /nfs/dbraw/zinc/64/94/10/519649410.db2.gz DVPDIUDQTJNEBR-UHFFFAOYSA-N 0 1 288.185 2.357 20 10 CECDMN CCCOc1ccc(CN2C[C@H](F)C[C@@H]2CO)c(O)c1 ZINC000364846786 520351449 /nfs/dbraw/zinc/35/14/49/520351449.db2.gz VINMQWFNWNCMAE-CHWSQXEVSA-N 0 1 283.343 2.086 20 10 CECDMN 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258.321 2.161 20 10 CECDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)[C@@H]1CCOC1 ZINC000730260250 574512469 /nfs/dbraw/zinc/51/24/69/574512469.db2.gz MUXNPCSMLMRHPG-GFCCVEGCSA-N 0 1 258.321 2.161 20 10 CECDMN NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000738440630 574863369 /nfs/dbraw/zinc/86/33/69/574863369.db2.gz WIDGGXFAZGALBO-VHSXEESVSA-N 0 1 282.771 2.179 20 10 CECDMN CCN(C)c1ccc(CN(C)CC(=O)N(CC)CC)cc1 ZINC000741753168 574996460 /nfs/dbraw/zinc/99/64/60/574996460.db2.gz QNSLYVGSMNGHAO-UHFFFAOYSA-N 0 1 291.439 2.443 20 10 CECDMN CCN(CC)c1ccc(CNCc2cnnn2C)cc1F ZINC000751146952 575283474 /nfs/dbraw/zinc/28/34/74/575283474.db2.gz NLTFGKGVLDYKKC-UHFFFAOYSA-N 0 1 291.374 2.090 20 10 CECDMN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(F)c1O ZINC000821541387 598213029 /nfs/dbraw/zinc/21/30/29/598213029.db2.gz WYQBIVOSXHXMMH-AWEZNQCLSA-N 0 1 289.306 2.317 20 10 CECDMN O=C([O-])NC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000834224326 605572258 /nfs/dbraw/zinc/57/22/58/605572258.db2.gz 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CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000801734839 631313435 /nfs/dbraw/zinc/31/34/35/631313435.db2.gz KSQYYTAOKLIAFB-LBPRGKRZSA-N 0 1 282.771 2.192 20 10 CECDMN CC[N@@H+](CCC(=O)NC)Cc1cc(Cl)c(F)cc1[O-] ZINC000897709407 631880171 /nfs/dbraw/zinc/88/01/71/631880171.db2.gz OXCYGBSTYNCPOD-UHFFFAOYSA-N 0 1 288.750 2.143 20 10 CECDMN Cc1cc(Br)c([O-])c(C[N@H+](C)[C@H](C)CO)c1 ZINC000809745224 632138283 /nfs/dbraw/zinc/13/82/83/632138283.db2.gz GQMLHIDXECCHJO-SECBINFHSA-N 0 1 288.185 2.276 20 10 CECDMN Cc1cccc(CN(C)C[C@@H](O)C(F)(F)F)c1O ZINC000809751621 632140968 /nfs/dbraw/zinc/14/09/68/632140968.db2.gz UKNYGRWWJTYNSS-SNVBAGLBSA-N 0 1 263.259 2.056 20 10 CECDMN Cn1ncc(CN(Cc2ccccc2O)C2CCCC2)n1 ZINC000809945915 632159527 /nfs/dbraw/zinc/15/95/27/632159527.db2.gz HFNZCTWZKUUDRR-UHFFFAOYSA-N 0 1 286.379 2.466 20 10 CECDMN Cc1cc(CN(C)CC(=O)N2CCCC2)ccc1N(C)C ZINC000815008927 632949726 /nfs/dbraw/zinc/94/97/26/632949726.db2.gz TXOOARQVHMIFSM-UHFFFAOYSA-N 0 1 289.423 2.115 20 10 CECDMN CNC(=O)CC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816502670 633402529 /nfs/dbraw/zinc/40/25/29/633402529.db2.gz LBJWPNCERHZWJC-UHFFFAOYSA-N 0 1 272.348 2.113 20 10 CECDMN CNC(=O)CC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816502670 633402531 /nfs/dbraw/zinc/40/25/31/633402531.db2.gz LBJWPNCERHZWJC-UHFFFAOYSA-N 0 1 272.348 2.113 20 10 CECDMN COCC[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549859 633411023 /nfs/dbraw/zinc/41/10/23/633411023.db2.gz ALIFXXCIGVTCPX-KRWDZBQOSA-N 0 1 289.375 2.423 20 10 CECDMN C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816597408 633419750 /nfs/dbraw/zinc/41/97/50/633419750.db2.gz QOBNTQLZDWPJMR-QGZVFWFLSA-N 0 1 284.359 2.243 20 10 CECDMN C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816597408 633419752 /nfs/dbraw/zinc/41/97/52/633419752.db2.gz QOBNTQLZDWPJMR-QGZVFWFLSA-N 0 1 284.359 2.243 20 10 CECDMN CCN(CC)c1ccc(CNC(=O)c2[nH]ncc2F)cc1 ZINC000900261050 633624963 /nfs/dbraw/zinc/62/49/63/633624963.db2.gz MJXNEVSGORUXFX-UHFFFAOYSA-N 0 1 290.342 2.325 20 10 CECDMN C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000817412439 633651038 /nfs/dbraw/zinc/65/10/38/633651038.db2.gz LIMMRGKHNSLBEV-WDEREUQCSA-N 0 1 269.772 2.496 20 10 CECDMN O=C(Nc1cnn(C2CCC2)c1)c1c(F)ccc(O)c1O ZINC000900777324 633843353 /nfs/dbraw/zinc/84/33/53/633843353.db2.gz UIYAHIJBVLGVGD-UHFFFAOYSA-N 0 1 291.282 2.411 20 10 CECDMN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccc(N(C)C)cc1 ZINC000822082565 634846763 /nfs/dbraw/zinc/84/67/63/634846763.db2.gz NINBCXOPPYXIIK-KCPJHIHWSA-N 0 1 298.390 2.457 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1Cl ZINC000824895414 635519106 /nfs/dbraw/zinc/51/91/06/635519106.db2.gz WRBDNKDXVVPFIX-LLVKDONJSA-N 0 1 296.798 2.441 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CC(N)=O)C2)cc1Cl ZINC000824895414 635519108 /nfs/dbraw/zinc/51/91/08/635519108.db2.gz WRBDNKDXVVPFIX-LLVKDONJSA-N 0 1 296.798 2.441 20 10 CECDMN Cc1ccc(O)c(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000824904623 635521648 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ZINC000826952413 636170761 /nfs/dbraw/zinc/17/07/61/636170761.db2.gz JYZPPIKEGJQMTO-CQSZACIVSA-N 0 1 285.771 2.019 20 10 CECDMN Oc1ccc(Br)cc1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000827289271 636282405 /nfs/dbraw/zinc/28/24/05/636282405.db2.gz APDPEJJKEJGTBC-GXFFZTMASA-N 0 1 298.180 2.111 20 10 CECDMN C[C@@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccccc1O ZINC000827952105 636468453 /nfs/dbraw/zinc/46/84/53/636468453.db2.gz GMUIBGIWPLQZLF-GHMZBOCLSA-N 0 1 285.347 2.098 20 10 CECDMN C[C@H](NC(=O)[C@@H]1CCCN1C1CC1)c1ccccc1O ZINC000827968909 636473667 /nfs/dbraw/zinc/47/36/67/636473667.db2.gz CUVZPNGCSHACFB-FZMZJTMJSA-N 0 1 274.364 2.196 20 10 CECDMN CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000831744402 637424336 /nfs/dbraw/zinc/42/43/36/637424336.db2.gz MMMPWKYTEKTEGJ-ZIAGYGMSSA-N 0 1 281.327 2.391 20 10 CECDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCC[C@H]1O ZINC000876804757 650439695 /nfs/dbraw/zinc/43/96/95/650439695.db2.gz UFEPSWMEAFQJHU-JOYOIKCWSA-N 0 1 271.307 2.263 20 10 CECDMN COc1cc(C)cc(CN2C[C@H](C)OC[C@@H]2C)c1O ZINC000163953320 639338437 /nfs/dbraw/zinc/33/84/37/639338437.db2.gz VHLLDWGBZOCDJC-RYUDHWBXSA-N 0 1 265.353 2.318 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCCN2CCOC2=O)c(Cl)c1 ZINC000840890230 639575306 /nfs/dbraw/zinc/57/53/06/639575306.db2.gz ZQXNRVCMHMAPHK-UHFFFAOYSA-N 0 1 298.770 2.286 20 10 CECDMN COCCN(C)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840891356 639575640 /nfs/dbraw/zinc/57/56/40/639575640.db2.gz RADMSSNFBVFQGF-UHFFFAOYSA-N 0 1 286.803 2.022 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[S@](C)=O)c(Cl)c1 ZINC000840940112 639593820 /nfs/dbraw/zinc/59/38/20/639593820.db2.gz VODNPERCFODPGS-XLFHBGCDSA-N 0 1 275.801 2.211 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(Cl)c1 ZINC000840940729 639594051 /nfs/dbraw/zinc/59/40/51/639594051.db2.gz DDJONCSKGDXLSI-CQSZACIVSA-N 0 1 282.771 2.051 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c(Cl)c1 ZINC000840940729 639594055 /nfs/dbraw/zinc/59/40/55/639594055.db2.gz DDJONCSKGDXLSI-CQSZACIVSA-N 0 1 282.771 2.051 20 10 CECDMN C[C@@H]1NCCC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841066172 639640738 /nfs/dbraw/zinc/64/07/38/639640738.db2.gz WXEZTJMBXKJHHS-KWQFWETISA-N 0 1 299.758 2.184 20 10 CECDMN COCCN(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747111 639856591 /nfs/dbraw/zinc/85/65/91/639856591.db2.gz NUFRCGSVDGPDON-NSHDSACASA-N 0 1 286.803 2.274 20 10 CECDMN C[C@@]1(O)C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000841891980 639901511 /nfs/dbraw/zinc/90/15/11/639901511.db2.gz RLQQWHDDSIXLHL-KLPPZKSPSA-N 0 1 286.169 2.158 20 10 CECDMN Oc1cc2c(cc1CN1CCOC[C@H]1C1CCC1)OCO2 ZINC000843428716 640427605 /nfs/dbraw/zinc/42/76/05/640427605.db2.gz MBMAJWJQMABOPQ-ZDUSSCGKSA-N 0 1 291.347 2.122 20 10 CECDMN CN(C)c1ncc(C[NH2+]Cc2cc(Cl)ccc2[O-])n1C ZINC000846056281 641166089 /nfs/dbraw/zinc/16/60/89/641166089.db2.gz SMBOAEHJDRHTLT-UHFFFAOYSA-N 0 1 294.786 2.135 20 10 CECDMN C[C@H](CCO)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000846111486 641185620 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CCc1onc(C)c1CNCc1cc2c(cc1O)OCO2 ZINC000922988444 643497307 /nfs/dbraw/zinc/49/73/07/643497307.db2.gz OHZOLQIZPDFDPF-UHFFFAOYSA-N 0 1 290.319 2.270 20 10 CECDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853586981 643823336 /nfs/dbraw/zinc/82/33/36/643823336.db2.gz CJVYXJKYQWTKRY-KBPBESRZSA-N 0 1 284.359 2.409 20 10 CECDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853586981 643823340 /nfs/dbraw/zinc/82/33/40/643823340.db2.gz CJVYXJKYQWTKRY-KBPBESRZSA-N 0 1 284.359 2.409 20 10 CECDMN CCn1nncc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000838937022 644092783 /nfs/dbraw/zinc/09/27/83/644092783.db2.gz OXDIIPNGMXEFOQ-GFCCVEGCSA-N 0 1 273.384 2.215 20 10 CECDMN Cc1cc(C(=O)Nc2nnc(C)[nH]2)c(C)n1-c1ccccn1 ZINC000103256037 644094736 /nfs/dbraw/zinc/09/47/36/644094736.db2.gz CCEISHHWKXMMPJ-UHFFFAOYSA-N 0 1 296.334 2.168 20 10 CECDMN Cc1n[nH]c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000103256037 644094739 /nfs/dbraw/zinc/09/47/39/644094739.db2.gz CCEISHHWKXMMPJ-UHFFFAOYSA-N 0 1 296.334 2.168 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1[O-] ZINC000755155660 644481211 /nfs/dbraw/zinc/48/12/11/644481211.db2.gz CNMGZAOMDRAXLP-BONVTDFDSA-N 0 1 281.327 2.391 20 10 CECDMN C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(Cl)ccc1[O-] ZINC000756434960 644648684 /nfs/dbraw/zinc/64/86/84/644648684.db2.gz RXLKDBZFEPZWGB-MWLCHTKSSA-N 0 1 271.744 2.112 20 10 CECDMN C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc(Cl)ccc1[O-] ZINC000756638370 644676645 /nfs/dbraw/zinc/67/66/45/644676645.db2.gz OSSZWAZKOSYZCJ-CABZTGNLSA-N 0 1 282.771 2.317 20 10 CECDMN C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000756768946 644690378 /nfs/dbraw/zinc/69/03/78/644690378.db2.gz BJWXMZDXRWTURX-RKDXNWHRSA-N 0 1 291.800 2.129 20 10 CECDMN COc1ccc(O)c(CNC(=O)c2n[nH]c3ccccc32)c1 ZINC000114540596 644700922 /nfs/dbraw/zinc/70/09/22/644700922.db2.gz BIPWJCZGUZTWKI-UHFFFAOYSA-N 0 1 297.314 2.207 20 10 CECDMN COc1ccc(CNCc2cc(C)ncn2)cc1C ZINC000756990316 644715905 /nfs/dbraw/zinc/71/59/05/644715905.db2.gz KQQCAZBOGSQTQK-UHFFFAOYSA-N 0 1 257.337 2.392 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1Cl ZINC000857046012 644798583 /nfs/dbraw/zinc/79/85/83/644798583.db2.gz DYZUNVVJDVSHBE-JTQLQIEISA-N 0 1 282.771 2.051 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CC(N)=O)C2)cc1Cl ZINC000857046012 644798588 /nfs/dbraw/zinc/79/85/88/644798588.db2.gz DYZUNVVJDVSHBE-JTQLQIEISA-N 0 1 282.771 2.051 20 10 CECDMN COc1cncc(CN[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000859257422 645438685 /nfs/dbraw/zinc/43/86/85/645438685.db2.gz AYXGUFQPNFMWAV-LBPRGKRZSA-N 0 1 286.379 2.402 20 10 CECDMN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(N(C)C)C2)cc1 ZINC000763259440 645524140 /nfs/dbraw/zinc/52/41/40/645524140.db2.gz KOFINOJDUXWWQR-UHFFFAOYSA-N 0 1 297.402 2.480 20 10 CECDMN Cc1cc(C)c(O)c(CN2CCN3C(=O)OCC[C@@H]3C2)c1 ZINC000763312396 645532238 /nfs/dbraw/zinc/53/22/38/645532238.db2.gz ANLRUPYASUBCRK-CQSZACIVSA-N 0 1 290.363 2.036 20 10 CECDMN COc1cc(O)c(CN2CCOC(C)(C)[C@H]2C)cc1OC ZINC000768462132 646126400 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CCNC(=O)C[N@@H+](CC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775646364 646975730 /nfs/dbraw/zinc/97/57/30/646975730.db2.gz JNMWFOXEDDCMSA-UHFFFAOYSA-N 0 1 288.750 2.143 20 10 CECDMN COC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(F)c1O ZINC000775647914 646975759 /nfs/dbraw/zinc/97/57/59/646975759.db2.gz HNPQGIPJBIOTNO-NSHDSACASA-N 0 1 287.718 2.322 20 10 CECDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775651124 646976166 /nfs/dbraw/zinc/97/61/66/646976166.db2.gz ZXMCCACVZSIEIQ-QMMMGPOBSA-N 0 1 287.718 2.180 20 10 CECDMN NC(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000775664952 646977887 /nfs/dbraw/zinc/97/78/87/646977887.db2.gz STJBBMHGZNHQJD-LLVKDONJSA-N 0 1 282.771 2.276 20 10 CECDMN C[C@H]1C[C@@H]1NC(=[NH2+])NCc1cc(Cl)ccc1[O-] ZINC000864470519 647023599 /nfs/dbraw/zinc/02/35/99/647023599.db2.gz ZWHFVUORCSGADH-XVKPBYJWSA-N 0 1 253.733 2.068 20 10 CECDMN C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000866498539 647807110 /nfs/dbraw/zinc/80/71/10/647807110.db2.gz ZCFAZZTXBJPYNT-HFBAOOFYSA-N 0 1 287.359 2.346 20 10 CECDMN CN(Cc1cnc(Cl)cn1)Cc1ccccc1O ZINC000788493995 648194476 /nfs/dbraw/zinc/19/44/76/648194476.db2.gz LSAKJSVCAGVFJL-UHFFFAOYSA-N 0 1 263.728 2.468 20 10 CECDMN Cc1nonc1CN[C@@H](C)c1cc(F)cc(F)c1O ZINC000872135287 649288421 /nfs/dbraw/zinc/28/84/21/649288421.db2.gz DPVABCHPSMXRPR-LURJTMIESA-N 0 1 269.251 2.213 20 10 CECDMN CC(C)c1nnc(CN[C@@H](C)c2ccccc2O)[nH]1 ZINC000879650724 651335682 /nfs/dbraw/zinc/33/56/82/651335682.db2.gz PNJUDRZCCGOJGN-JTQLQIEISA-N 0 1 260.341 2.485 20 10 CECDMN CN(Cc1cccn1C)Cc1cc2c(cc1O)OCO2 ZINC000128305371 651408550 /nfs/dbraw/zinc/40/85/50/651408550.db2.gz OBHVZOZXIRBTQO-UHFFFAOYSA-N 0 1 274.320 2.091 20 10 CECDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000881429274 651719909 /nfs/dbraw/zinc/71/99/09/651719909.db2.gz XHTMBTYFPJRQQB-MGPLVRAMSA-N 0 1 297.358 2.324 20 10 CECDMN Cc1cncc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000882880245 652246863 /nfs/dbraw/zinc/24/68/63/652246863.db2.gz JEPBFQCBCVQSNZ-UHFFFAOYSA-N 0 1 297.406 2.149 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](CO)CC(F)F)c(Cl)c1 ZINC000883103897 652364589 /nfs/dbraw/zinc/36/45/89/652364589.db2.gz IXHWQNRRKDKIKJ-QMMMGPOBSA-N 0 1 279.714 2.460 20 10 CECDMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142508761 806609611 /nfs/dbraw/zinc/60/96/11/806609611.db2.gz KLWSDBKWXCFTEE-PSASIEDQSA-N 0 1 257.280 2.016 20 10 CECDMN COc1ccc(O)c([C@H](C)NCc2nn(C)cc2C)c1 ZINC000723488195 802874630 /nfs/dbraw/zinc/87/46/30/802874630.db2.gz KZFVTMXCARJMIP-NSHDSACASA-N 0 1 275.352 2.294 20 10 CECDMN NC(=O)c1cccc(C[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000036902822 814940764 /nfs/dbraw/zinc/94/07/64/814940764.db2.gz QCZRCUGFNYVXIQ-UHFFFAOYSA-N 0 1 290.750 2.434 20 10 CECDMN C[C@@H](Cn1cccn1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000037155664 815020223 /nfs/dbraw/zinc/02/02/23/815020223.db2.gz QJXXHBMCMTTZFA-JTQLQIEISA-N 0 1 265.744 2.420 20 10 CECDMN CN(C)c1ccc(/C=C\CN2CC(C)(CO)C2)cc1 ZINC000839145461 805559202 /nfs/dbraw/zinc/55/92/02/805559202.db2.gz LJMRWLMCEPMMAA-PLNGDYQASA-N 0 1 260.381 2.080 20 10 CECDMN CCC1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233010079 807355389 /nfs/dbraw/zinc/35/53/89/807355389.db2.gz KJMOYRPJYKEOAD-UHFFFAOYSA-N 0 1 251.326 2.425 20 10 CECDMN Oc1cc(CN2CCC[C@H](F)CC2)cc(O)c1O ZINC001233010311 807356627 /nfs/dbraw/zinc/35/66/27/807356627.db2.gz OHDYVAJTIOFRPD-JTQLQIEISA-N 0 1 255.289 2.127 20 10 CECDMN COc1cc([O-])c(CN2CC[NH2+]CC2(C)C)c(Cl)c1 ZINC001235828232 807862036 /nfs/dbraw/zinc/86/20/36/807862036.db2.gz ZJOGWOBFJXFKBZ-UHFFFAOYSA-N 0 1 284.787 2.238 20 10 CECDMN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237122464 808193493 /nfs/dbraw/zinc/19/34/93/808193493.db2.gz UZCWXDLSLZRVGL-HTQZYQBOSA-N 0 1 259.708 2.140 20 10 CECDMN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c([O-])ccc(F)c1Cl ZINC001237122464 808193499 /nfs/dbraw/zinc/19/34/99/808193499.db2.gz UZCWXDLSLZRVGL-HTQZYQBOSA-N 0 1 259.708 2.140 20 10 CECDMN Cc1cc(Cl)cc(CN2CC[C@H](F)[C@H](O)C2)c1O ZINC001237681072 808239662 /nfs/dbraw/zinc/23/96/62/808239662.db2.gz KXEAJNZBFVZAFS-NWDGAFQWSA-N 0 1 273.735 2.259 20 10 CECDMN Oc1c(Cl)cc(F)cc1CN1Cc2cncnc2C1 ZINC001237804423 808258317 /nfs/dbraw/zinc/25/83/17/808258317.db2.gz DKGGDRAVBIZBMR-UHFFFAOYSA-N 0 1 279.702 2.491 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CCn1cccn1 ZINC000083552097 808563266 /nfs/dbraw/zinc/56/32/66/808563266.db2.gz QFUSJUOIGXCVBC-UHFFFAOYSA-N 0 1 251.717 2.032 20 10 CECDMN [NH3+][C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CC(F)(F)C1 ZINC001206145876 815234120 /nfs/dbraw/zinc/23/41/20/815234120.db2.gz KTCGWWFAVNWMDY-QMMMGPOBSA-N 0 1 294.704 2.353 20 10 CECDMN CC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137839274 809818593 /nfs/dbraw/zinc/81/85/93/809818593.db2.gz ZLBANHRZZFRAAZ-LLVKDONJSA-N 0 1 251.301 2.332 20 10 CECDMN C[N@H+](C1CC1)[C@@H]1CCN(Cc2c([O-])cccc2F)C1 ZINC001137840034 809860563 /nfs/dbraw/zinc/86/05/63/809860563.db2.gz PSUMULCUWCMSNH-GFCCVEGCSA-N 0 1 264.344 2.200 20 10 CECDMN C[N@@H+](C1CC1)[C@@H]1CCN(Cc2c([O-])cccc2F)C1 ZINC001137840034 809860569 /nfs/dbraw/zinc/86/05/69/809860569.db2.gz PSUMULCUWCMSNH-GFCCVEGCSA-N 0 1 264.344 2.200 20 10 CECDMN CCC[C@](C)([NH2+]Cc1cc(F)cc(F)c1O)C(=O)[O-] ZINC000708215067 809924314 /nfs/dbraw/zinc/92/43/14/809924314.db2.gz FWZQKERLLFBGSW-ZDUSSCGKSA-N 0 1 273.279 2.403 20 10 CECDMN CC[C@H]1CN(Cc2cc(F)cc(F)c2O)CCO1 ZINC000708421445 809930242 /nfs/dbraw/zinc/93/02/42/809930242.db2.gz GFCUTMZVTRLNBK-NSHDSACASA-N 0 1 257.280 2.281 20 10 CECDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000708441913 809931466 /nfs/dbraw/zinc/93/14/66/809931466.db2.gz LYIOOSRHGWOMIV-ONGXEEELSA-N 0 1 269.291 2.139 20 10 CECDMN CC1=NO[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000822324377 810581203 /nfs/dbraw/zinc/58/12/03/810581203.db2.gz JWEHNICFKYTPFM-VIFPVBQESA-N 0 1 254.717 2.300 20 10 CECDMN CC(C)OCC[C@@H](C)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001172437087 815436528 /nfs/dbraw/zinc/43/65/28/815436528.db2.gz YYNQAQALTZWUHF-LLVKDONJSA-N 0 1 281.352 2.074 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CCOC1 ZINC000691427295 811655306 /nfs/dbraw/zinc/65/53/06/811655306.db2.gz CLMWTPMHEFHXRW-SECBINFHSA-N 0 1 286.169 2.281 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+]C1(CO)CCC1 ZINC000691427789 811656595 /nfs/dbraw/zinc/65/65/95/811656595.db2.gz HCMLRRFERJJJIX-UHFFFAOYSA-N 0 1 286.169 2.159 20 10 CECDMN C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc2ccccc2c1[O-] ZINC000386973554 813196870 /nfs/dbraw/zinc/19/68/70/813196870.db2.gz RDFTXUIWGBPXIL-YPMHNXCESA-N 0 1 284.359 2.427 20 10 CECDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000397048456 813596665 /nfs/dbraw/zinc/59/66/65/813596665.db2.gz QDCANELPCFDMRJ-OCCSQVGLSA-N 0 1 276.380 2.438 20 10 CECDMN Cc1ncc(CNCc2ccc(N3CCOCC3)cc2)o1 ZINC000397890881 813645680 /nfs/dbraw/zinc/64/56/80/813645680.db2.gz MEHYLUNMMZWMIF-UHFFFAOYSA-N 0 1 287.363 2.109 20 10 CECDMN [O-]c1cccc(F)c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001137837910 815692292 /nfs/dbraw/zinc/69/22/92/815692292.db2.gz YQZJBBWNRFRCTE-GFCCVEGCSA-N 0 1 264.344 2.201 20 10 CECDMN [O-]c1cccc(F)c1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001137837910 815692299 /nfs/dbraw/zinc/69/22/99/815692299.db2.gz YQZJBBWNRFRCTE-GFCCVEGCSA-N 0 1 264.344 2.201 20 10 CECDMN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001138123854 815731273 /nfs/dbraw/zinc/73/12/73/815731273.db2.gz OFPVZMUCFNJXOQ-CQSZACIVSA-N 0 1 271.307 2.218 20 10 CECDMN CCO[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])[C@@H]2CCCO[C@H]12 ZINC001138125227 815734781 /nfs/dbraw/zinc/73/47/81/815734781.db2.gz LBGIBSCDBGLDSP-FMKPAKJESA-N 0 1 295.354 2.300 20 10 CECDMN CCS(=O)(=O)c1ccc([O-])c(Nc2cc[nH+]cc2C)c1 ZINC001174537306 816025148 /nfs/dbraw/zinc/02/51/48/816025148.db2.gz BEPUQYIMUOXXCB-UHFFFAOYSA-N 0 1 292.360 2.055 20 10 CECDMN Cc1cc(CN(C)Cc2ccncn2)ccc1N(C)C ZINC001139674113 816077611 /nfs/dbraw/zinc/07/76/11/816077611.db2.gz OCZPINKPJYGPOG-UHFFFAOYSA-N 0 1 270.380 2.483 20 10 CECDMN C[C@H]1C[C@H](O)CC[N@H+]1Cc1c([O-])c(F)ccc1F ZINC001139685893 816078213 /nfs/dbraw/zinc/07/82/13/816078213.db2.gz DHJFFNCNIHIWOK-DTWKUNHWSA-N 0 1 257.280 2.016 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCCC[C@@H]1CO ZINC001139685694 816082050 /nfs/dbraw/zinc/08/20/50/816082050.db2.gz TXAIEYNPYLODBO-SECBINFHSA-N 0 1 257.280 2.017 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001139685644 816082085 /nfs/dbraw/zinc/08/20/85/816082085.db2.gz RGXLPTHRKZBNFZ-SECBINFHSA-N 0 1 257.280 2.017 20 10 CECDMN C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1c([O-])c(F)ccc1F ZINC001139683832 816082272 /nfs/dbraw/zinc/08/22/72/816082272.db2.gz FHAXTYIESSVQOG-VHSXEESVSA-N 0 1 271.307 2.263 20 10 CECDMN O=C1CC[C@@]2(CCC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)O1 ZINC001139686910 816083274 /nfs/dbraw/zinc/08/32/74/816083274.db2.gz IEGQONYVKITIJS-OAHLLOKOSA-N 0 1 297.301 2.342 20 10 CECDMN O=C1CC[C@]2(CCC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)O1 ZINC001139686906 816083881 /nfs/dbraw/zinc/08/38/81/816083881.db2.gz IEGQONYVKITIJS-HNNXBMFYSA-N 0 1 297.301 2.342 20 10 CECDMN Oc1cc(Cl)ccc1CN1CC[C@@]12CCOC2 ZINC001140464088 816260044 /nfs/dbraw/zinc/26/00/44/816260044.db2.gz BHYPUBTYGVXAMI-ZDUSSCGKSA-N 0 1 253.729 2.410 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2c([O-])cc(F)cc2F)CCC[C@H]1O ZINC001140582810 816291530 /nfs/dbraw/zinc/29/15/30/816291530.db2.gz NFJXKMWRVIESNT-NOZJJQNGSA-N 0 1 271.307 2.263 20 10 CECDMN Cc1c(O)ccc(C[N@H+]2CCc3ccncc3C2)c1O ZINC001140749253 816343752 /nfs/dbraw/zinc/34/37/52/816343752.db2.gz TVYVYXWEALAHMV-UHFFFAOYSA-N 0 1 270.332 2.360 20 10 CECDMN Cc1c(O)ccc(CN2CCc3ccncc3C2)c1O ZINC001140749253 816343755 /nfs/dbraw/zinc/34/37/55/816343755.db2.gz TVYVYXWEALAHMV-UHFFFAOYSA-N 0 1 270.332 2.360 20 10 CECDMN Cc1c(O)ccc(C[N@H+]2CCOCC23CCC3)c1O ZINC001140748771 816343837 /nfs/dbraw/zinc/34/38/37/816343837.db2.gz JOCQQWWSKWLMEW-UHFFFAOYSA-N 0 1 263.337 2.161 20 10 CECDMN Cc1c(O)ccc(CN2CCOCC23CCC3)c1O ZINC001140748771 816343841 /nfs/dbraw/zinc/34/38/41/816343841.db2.gz JOCQQWWSKWLMEW-UHFFFAOYSA-N 0 1 263.337 2.161 20 10 CECDMN OCCN(Cc1cccs1)Cc1cc(O)ccc1O ZINC001141158566 816490929 /nfs/dbraw/zinc/49/09/29/816490929.db2.gz FBDPBKLJGZLMSF-UHFFFAOYSA-N 0 1 279.361 2.154 20 10 CECDMN Cc1cc(C)c(CNC(=O)[C@@H]2CCc3[nH]cnc3C2)c(O)c1 ZINC001177184396 816530930 /nfs/dbraw/zinc/53/09/30/816530930.db2.gz NQTBNQXGERMEFE-GFCCVEGCSA-N 0 1 299.374 2.153 20 10 CECDMN CN(Cc1ccc(Cl)nn1)Cc1ccccc1O ZINC001142073188 816618358 /nfs/dbraw/zinc/61/83/58/816618358.db2.gz FGJSUWQDJAQEGC-UHFFFAOYSA-N 0 1 263.728 2.468 20 10 CECDMN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)c(F)cc1[O-] ZINC001142512962 816678655 /nfs/dbraw/zinc/67/86/55/816678655.db2.gz REWZUOHHADSZET-AOOOYVTPSA-N 0 1 267.275 2.366 20 10 CECDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001142524998 816681495 /nfs/dbraw/zinc/68/14/95/816681495.db2.gz SOZHQMRNRCPGGW-AWEZNQCLSA-N 0 1 269.291 2.425 20 10 CECDMN Cc1cc(Br)cc(CN2CCN(C)CC2)c1O ZINC000124494042 365653879 /nfs/dbraw/zinc/65/38/79/365653879.db2.gz OOYMMQWFSYMLND-UHFFFAOYSA-N 0 1 299.212 2.211 20 10 CECDMN COc1ccc(N2CCCN(Cc3cncnc3)CC2)cc1 ZINC000130524483 365964757 /nfs/dbraw/zinc/96/47/57/365964757.db2.gz CBIORBVJCDIRON-UHFFFAOYSA-N 0 1 298.390 2.198 20 10 CECDMN Cc1nn(C)c(Cl)c1CNCc1ccccc1O ZINC000134236468 366300681 /nfs/dbraw/zinc/30/06/81/366300681.db2.gz HYKRFQNFVMLLIR-UHFFFAOYSA-N 0 1 265.744 2.377 20 10 CECDMN C[C@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134834999 366364608 /nfs/dbraw/zinc/36/46/08/366364608.db2.gz NWZHVBGMCUEXMR-YUMQZZPRSA-N 0 1 274.158 2.186 20 10 CECDMN CN(C)C1(C[NH2+]Cc2c([O-])cccc2Cl)CCOCC1 ZINC000113959414 364920285 /nfs/dbraw/zinc/92/02/85/364920285.db2.gz LYGXFTMQOFBIGU-UHFFFAOYSA-N 0 1 298.814 2.246 20 10 CECDMN CN(Cc1ccco1)C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000114721360 364959250 /nfs/dbraw/zinc/95/92/50/364959250.db2.gz XGNJMUZSNKSWTM-UHFFFAOYSA-N 0 1 288.347 2.076 20 10 CECDMN CC(C)(CO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000116341366 365050953 /nfs/dbraw/zinc/05/09/53/365050953.db2.gz AFSBOQRGLMBGIT-UHFFFAOYSA-N 0 1 274.158 2.015 20 10 CECDMN Cc1ccc(O)c(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000245721539 370863581 /nfs/dbraw/zinc/86/35/81/370863581.db2.gz DJLCDXSKEHYRHH-HZPDHXFCSA-N 0 1 277.364 2.080 20 10 CECDMN Cc1cccc(CN2CCNC(=O)[C@@H]2CC(C)C)c1O ZINC000188922700 369429314 /nfs/dbraw/zinc/42/93/14/369429314.db2.gz OEFRNZJXVUTMSC-AWEZNQCLSA-N 0 1 276.380 2.047 20 10 CECDMN CC(=O)c1cc(F)cc(CN2[C@H](C)CC(O)C[C@@H]2C)c1O ZINC000191281785 369698143 /nfs/dbraw/zinc/69/81/43/369698143.db2.gz PDBJBAVLCVKFJN-XFLKPENQSA-N 0 1 295.354 2.468 20 10 CECDMN CC[C@@]1(CO)CCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000191956900 369756516 /nfs/dbraw/zinc/75/65/16/369756516.db2.gz YFRUSJQNHSCXHP-INIZCTEOSA-N 0 1 295.379 2.146 20 10 CECDMN C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(=O)NCCF ZINC000282791858 296158724 /nfs/dbraw/zinc/15/87/24/296158724.db2.gz QGWQSNNDESBELX-RKDXNWHRSA-N 0 1 288.750 2.170 20 10 CECDMN C[C@@H](C(=O)N1CCCCC1)N(C)Cc1ccccc1O ZINC000269673309 372527719 /nfs/dbraw/zinc/52/77/19/372527719.db2.gz XZUQICANMDLDJA-ZDUSSCGKSA-N 0 1 276.380 2.225 20 10 CECDMN Cc1nc(CC[N@@H+](C)Cc2c([O-])cccc2Cl)no1 ZINC000271158758 373152417 /nfs/dbraw/zinc/15/24/17/373152417.db2.gz IBRUICLJMDIHKI-UHFFFAOYSA-N 0 1 281.743 2.412 20 10 CECDMN Cc1nc(CC[N@H+](C)Cc2c([O-])cccc2Cl)no1 ZINC000271158758 373152421 /nfs/dbraw/zinc/15/24/21/373152421.db2.gz IBRUICLJMDIHKI-UHFFFAOYSA-N 0 1 281.743 2.412 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1[O-] ZINC000373807693 374423424 /nfs/dbraw/zinc/42/34/24/374423424.db2.gz WHWSKIAZIGFOFL-ZBFHGGJFSA-N 0 1 293.338 2.391 20 10 CECDMN O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccccc1O)C2 ZINC000375299753 374651455 /nfs/dbraw/zinc/65/14/55/374651455.db2.gz MQOCKNOTUVPNGR-GOSISDBHSA-N 0 1 294.354 2.488 20 10 CECDMN C[C@H]([NH2+]CCN(C)C)c1cc(Br)ccc1[O-] ZINC000286871802 376090148 /nfs/dbraw/zinc/09/01/48/376090148.db2.gz BVUBDMYWADYXRF-VIFPVBQESA-N 0 1 287.201 2.367 20 10 CECDMN COc1ccc(N2CCN(CCOC3CCC3)CC2)cc1 ZINC000287396330 376223643 /nfs/dbraw/zinc/22/36/43/376223643.db2.gz RPRAGZPGVJTKOE-UHFFFAOYSA-N 0 1 290.407 2.386 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000289114435 376387692 /nfs/dbraw/zinc/38/76/92/376387692.db2.gz DBAJXWYBXIQGFO-HNNXBMFYSA-N 0 1 297.782 2.427 20 10 CECDMN Cc1nocc1CNCc1ccc(N(C)C)c(F)c1 ZINC000293696017 377705081 /nfs/dbraw/zinc/70/50/81/377705081.db2.gz WTACRDPFQPVPKG-UHFFFAOYSA-N 0 1 263.316 2.478 20 10 CECDMN C[C@@H](NCc1cc(Cl)c(F)cc1O)c1ncn(C)n1 ZINC000294756067 378017591 /nfs/dbraw/zinc/01/75/91/378017591.db2.gz RUJJOOZMJVXJHC-SSDOTTSWSA-N 0 1 284.722 2.164 20 10 CECDMN CC(C)c1nc(CNCc2ccc3c(c2)CCO3)n[nH]1 ZINC000294790443 378020029 /nfs/dbraw/zinc/02/00/29/378020029.db2.gz LYFMMFSESFMGAI-UHFFFAOYSA-N 0 1 272.352 2.153 20 10 CECDMN COc1cccc(CN2CCOC3(CCC3)C2)c1O ZINC000093640416 394668464 /nfs/dbraw/zinc/66/84/64/394668464.db2.gz SGRQMPBIWDNOJE-UHFFFAOYSA-N 0 1 263.337 2.156 20 10 CECDMN CC[C@H]1CO[C@@H](C)CN1Cc1cccc(OC)c1O ZINC000131505026 394912797 /nfs/dbraw/zinc/91/27/97/394912797.db2.gz CNMVDKRPJPKOBB-AAEUAGOBSA-N 0 1 265.353 2.400 20 10 CECDMN C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000373634443 395063665 /nfs/dbraw/zinc/06/36/65/395063665.db2.gz FAWQULBBIYKYFV-BLLLJJGKSA-N 0 1 295.354 2.301 20 10 CECDMN CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1O ZINC000077253444 177241994 /nfs/dbraw/zinc/24/19/94/177241994.db2.gz XGQLRRFLWMVCDP-GFCCVEGCSA-N 0 1 279.336 2.088 20 10 CECDMN CCN(CC)c1ccc(CN(C)CC(=O)N(C)C)cc1 ZINC000159827592 261195431 /nfs/dbraw/zinc/19/54/31/261195431.db2.gz BSJFQCINOBEYHH-UHFFFAOYSA-N 0 1 277.412 2.053 20 10 CECDMN C[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc2ccccc2c1[O-] ZINC000186178003 262312365 /nfs/dbraw/zinc/31/23/65/262312365.db2.gz PSWICIGMLIBABD-YVEFUNNKSA-N 0 1 287.359 2.347 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1[O-] ZINC000368467979 267175287 /nfs/dbraw/zinc/17/52/87/267175287.db2.gz CFDOBZLAKFJWPJ-XHDPSFHLSA-N 0 1 293.338 2.345 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1[O-] ZINC000368467979 267175289 /nfs/dbraw/zinc/17/52/89/267175289.db2.gz CFDOBZLAKFJWPJ-XHDPSFHLSA-N 0 1 293.338 2.345 20 10 CECDMN CN1CC[C@@H]2CC[N@@H+](Cc3cccc(F)c3[O-])[C@@H]2C1 ZINC000272259466 290158117 /nfs/dbraw/zinc/15/81/17/290158117.db2.gz AMCHDPVRHSUXIO-BXUZGUMPSA-N 0 1 264.344 2.057 20 10 CECDMN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCOCC1 ZINC000226615600 329262246 /nfs/dbraw/zinc/26/22/46/329262246.db2.gz FXXINJUKUCDPCL-JTQLQIEISA-N 0 1 253.317 2.436 20 10 CECDMN CCOc1ccc(O)c(CN2CCOCC2(C)C)c1 ZINC000130905809 521147402 /nfs/dbraw/zinc/14/74/02/521147402.db2.gz VYKCRRHVFRNARF-UHFFFAOYSA-N 0 1 265.353 2.402 20 10 CECDMN COc1c([O-])c(C[N@@H+]2CCSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278232079 521869023 /nfs/dbraw/zinc/86/90/23/521869023.db2.gz MYKUWKLQIMXZOW-VIFPVBQESA-N 0 1 298.364 2.246 20 10 CECDMN COc1c([O-])c(C[N@H+]2CCSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278232079 521869030 /nfs/dbraw/zinc/86/90/30/521869030.db2.gz MYKUWKLQIMXZOW-VIFPVBQESA-N 0 1 298.364 2.246 20 10 CECDMN CC[C@H](N[C@H](C)c1ncnn1C)c1ccccc1O ZINC000276696460 522745380 /nfs/dbraw/zinc/74/53/80/522745380.db2.gz VHQVQCAZWHKUFU-PWSUYJOCSA-N 0 1 260.341 2.323 20 10 CECDMN CO[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289944830 523405610 /nfs/dbraw/zinc/40/56/10/523405610.db2.gz XIDVHJBIPPVPIX-QMMMGPOBSA-N 0 1 288.731 2.421 20 10 CECDMN COC(=O)[C@@H]1C[C@H](C)CCN1Cc1cccc(C)c1O ZINC000274923152 523788275 /nfs/dbraw/zinc/78/82/75/523788275.db2.gz MSMYVFJGEUYBRV-RISCZKNCSA-N 0 1 277.364 2.474 20 10 CECDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ncnn2C)c(O)c1 ZINC000276696575 525743103 /nfs/dbraw/zinc/74/31/03/525743103.db2.gz VJSYLONPISXSBX-MNOVXSKESA-N 0 1 260.341 2.241 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000236576854 526365823 /nfs/dbraw/zinc/36/58/23/526365823.db2.gz DYGGNQYNPIVWDG-UWVGGRQHSA-N 0 1 255.745 2.296 20 10 CECDMN C[N@H+](Cc1ccccc1O)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739715759 574508321 /nfs/dbraw/zinc/50/83/21/574508321.db2.gz QORBASKDUAXEGJ-LBPRGKRZSA-N 0 1 278.352 2.214 20 10 CECDMN O=C([O-])CCCCC[NH2+]Cc1cccc(F)c1O ZINC000821515620 598212818 /nfs/dbraw/zinc/21/28/18/598212818.db2.gz GYHRVRYWLIDYPV-UHFFFAOYSA-N 0 1 255.289 2.266 20 10 CECDMN O=C([O-])NC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000834222305 605569111 /nfs/dbraw/zinc/56/91/11/605569111.db2.gz ZODFSICFNQIUAM-NSHDSACASA-N 0 1 282.315 2.153 20 10 CECDMN O=C([O-])NC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000834222305 605569117 /nfs/dbraw/zinc/56/91/17/605569117.db2.gz ZODFSICFNQIUAM-NSHDSACASA-N 0 1 282.315 2.153 20 10 CECDMN NC(=O)[C@H]1CCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000179577498 625573639 /nfs/dbraw/zinc/57/36/39/625573639.db2.gz ZMDUTHAYMNYCGN-MRXNPFEDSA-N 0 1 287.407 2.127 20 10 CECDMN CCNC(=O)CN(C)Cc1c(O)ccc2ccccc21 ZINC000109744955 622906420 /nfs/dbraw/zinc/90/64/20/622906420.db2.gz KTZWLYBZIRVACH-UHFFFAOYSA-N 0 1 272.348 2.113 20 10 CECDMN CNC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806598448 622941828 /nfs/dbraw/zinc/94/18/28/622941828.db2.gz IVIZKYYEKAFIFD-UHFFFAOYSA-N 0 1 265.165 2.293 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c(Cl)c1 ZINC000840909430 628373113 /nfs/dbraw/zinc/37/31/13/628373113.db2.gz RWINTVWJOFEOOQ-NHYWBVRUSA-N 0 1 298.814 2.163 20 10 CECDMN CCC[C@@](C)(NCc1cc(F)cc(F)c1O)C(=O)OC ZINC000894137140 629160023 /nfs/dbraw/zinc/16/00/23/629160023.db2.gz MHMOZKISOBBORA-CQSZACIVSA-N 0 1 287.306 2.492 20 10 CECDMN CC[C@H](NCc1cn(C)nn1)c1ccc(C)cc1O ZINC000794819893 629328681 /nfs/dbraw/zinc/32/86/81/629328681.db2.gz YWTPFBDUEXRWTB-ZDUSSCGKSA-N 0 1 260.341 2.070 20 10 CECDMN CCn1ncnc1CN[C@H](C)c1ccc(C)c(C)c1O ZINC000794838816 629332363 /nfs/dbraw/zinc/33/23/63/629332363.db2.gz ATTWEGFZVLKZKU-GFCCVEGCSA-N 0 1 274.368 2.471 20 10 CECDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CC[C@H](O)CC1 ZINC000894535294 629518860 /nfs/dbraw/zinc/51/88/60/629518860.db2.gz YLDHWJAVQNODFT-HAQNSBGRSA-N 0 1 271.307 2.406 20 10 CECDMN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894779751 629634406 /nfs/dbraw/zinc/63/44/06/629634406.db2.gz NTVGNFHHWLEWSI-SNVBAGLBSA-N 0 1 293.317 2.393 20 10 CECDMN Oc1c(F)cc(F)cc1CN1CC(O)(c2ccccc2)C1 ZINC000894789263 629635384 /nfs/dbraw/zinc/63/53/84/629635384.db2.gz FJPAVSHWYOSCHI-UHFFFAOYSA-N 0 1 291.297 2.374 20 10 CECDMN CC[C@H](C[NH2+]Cc1c([O-])cccc1Cl)C(=O)OC ZINC000895122622 629925877 /nfs/dbraw/zinc/92/58/77/629925877.db2.gz OFQFMXDVPMERSW-SECBINFHSA-N 0 1 271.744 2.334 20 10 CECDMN COC(=O)[C@@]1(C)C[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000895417638 630174943 /nfs/dbraw/zinc/17/49/43/630174943.db2.gz DHTLGGYHTMSTJY-VFZGTOFNSA-N 0 1 299.317 2.301 20 10 CECDMN CN(C)c1ccc(CNC(=O)[C@@H]2CCN2C(C)(C)C)cc1 ZINC000895488371 630216334 /nfs/dbraw/zinc/21/63/34/630216334.db2.gz OTGYIQRZDCUJAA-HNNXBMFYSA-N 0 1 289.423 2.242 20 10 CECDMN CC[N@H+](CCC(N)=O)Cc1ccc2ccccc2c1[O-] ZINC000896710756 630646258 /nfs/dbraw/zinc/64/62/58/630646258.db2.gz XOYIJTDHXHUJQI-UHFFFAOYSA-N 0 1 272.348 2.243 20 10 CECDMN CC[N@@H+](CCC(N)=O)Cc1ccc2ccccc2c1[O-] ZINC000896710756 630646264 /nfs/dbraw/zinc/64/62/64/630646264.db2.gz XOYIJTDHXHUJQI-UHFFFAOYSA-N 0 1 272.348 2.243 20 10 CECDMN CC(C)[N@H+](CCO)Cc1ccc(Br)cc1[O-] ZINC000824523461 635440616 /nfs/dbraw/zinc/44/06/16/635440616.db2.gz ZGXAGOVPVHDFQF-UHFFFAOYSA-N 0 1 288.185 2.357 20 10 CECDMN CC(C)[N@@H+](CCO)Cc1ccc(Br)cc1[O-] ZINC000824523461 635440618 /nfs/dbraw/zinc/44/06/18/635440618.db2.gz ZGXAGOVPVHDFQF-UHFFFAOYSA-N 0 1 288.185 2.357 20 10 CECDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000896963235 630846090 /nfs/dbraw/zinc/84/60/90/630846090.db2.gz XFCZFAYKZIJNJT-JTQLQIEISA-N 0 1 283.755 2.431 20 10 CECDMN CCOC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000896963235 630846097 /nfs/dbraw/zinc/84/60/97/630846097.db2.gz XFCZFAYKZIJNJT-JTQLQIEISA-N 0 1 283.755 2.431 20 10 CECDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000896963235 630846104 /nfs/dbraw/zinc/84/61/04/630846104.db2.gz XFCZFAYKZIJNJT-JTQLQIEISA-N 0 1 283.755 2.431 20 10 CECDMN C[C@H](O)CC[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824828753 635506635 /nfs/dbraw/zinc/50/66/35/635506635.db2.gz FABSMGRGBWALNH-VIFPVBQESA-N 0 1 288.185 2.357 20 10 CECDMN C[C@H](O)CC[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824828753 635506640 /nfs/dbraw/zinc/50/66/40/635506640.db2.gz FABSMGRGBWALNH-VIFPVBQESA-N 0 1 288.185 2.357 20 10 CECDMN C[C@H](O)CC[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824828753 635506647 /nfs/dbraw/zinc/50/66/47/635506647.db2.gz FABSMGRGBWALNH-VIFPVBQESA-N 0 1 288.185 2.357 20 10 CECDMN Cc1ccc(CN2CCO[C@@H](c3ccnn3C)C2)c(O)c1 ZINC000897566961 631787350 /nfs/dbraw/zinc/78/73/50/631787350.db2.gz BBDPSMXBVJNRHX-MRXNPFEDSA-N 0 1 287.363 2.008 20 10 CECDMN NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000897623808 631828966 /nfs/dbraw/zinc/82/89/66/631828966.db2.gz KPUJHTNHANPJBR-BONVTDFDSA-N 0 1 294.782 2.133 20 10 CECDMN NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC000897623808 631828970 /nfs/dbraw/zinc/82/89/70/631828970.db2.gz KPUJHTNHANPJBR-BONVTDFDSA-N 0 1 294.782 2.133 20 10 CECDMN NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC000897623808 631828975 /nfs/dbraw/zinc/82/89/75/631828975.db2.gz KPUJHTNHANPJBR-BONVTDFDSA-N 0 1 294.782 2.133 20 10 CECDMN CC(=O)C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000808015182 631907603 /nfs/dbraw/zinc/90/76/03/631907603.db2.gz FSZPHEGWMDNYHK-UHFFFAOYSA-N 0 1 295.751 2.375 20 10 CECDMN C[C@@H](NCc1cn(C)cn1)c1ccc(N(C)C)cc1 ZINC000808406400 631959141 /nfs/dbraw/zinc/95/91/41/631959141.db2.gz HLVHKMDOLBOIJL-GFCCVEGCSA-N 0 1 258.369 2.337 20 10 CECDMN Oc1ccc(Cl)c(F)c1CN1CC[C@H](O)[C@H](F)C1 ZINC000898186310 632100070 /nfs/dbraw/zinc/10/00/70/632100070.db2.gz CURRDNGOIVHEMM-KOLCDFICSA-N 0 1 277.698 2.089 20 10 CECDMN Cc1cccc(CN(C)C[C@H](O)C(F)(F)F)c1O ZINC000809751620 632140374 /nfs/dbraw/zinc/14/03/74/632140374.db2.gz UKNYGRWWJTYNSS-JTQLQIEISA-N 0 1 263.259 2.056 20 10 CECDMN CC(C)OC(=O)C(C)(C)NCc1cc(F)cc(F)c1O ZINC000898506921 632521589 /nfs/dbraw/zinc/52/15/89/632521589.db2.gz YSXVLINBYVTZRI-UHFFFAOYSA-N 0 1 287.306 2.490 20 10 CECDMN C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589427 633418667 /nfs/dbraw/zinc/41/86/67/633418667.db2.gz XZTQOGJHLMCUMH-CBAPKCEASA-N 0 1 259.708 2.140 20 10 CECDMN NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000817413559 633652364 /nfs/dbraw/zinc/65/23/64/633652364.db2.gz ZBQYPOPRACESPU-XYPYZODXSA-N 0 1 296.798 2.427 20 10 CECDMN CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC000818631499 633966207 /nfs/dbraw/zinc/96/62/07/633966207.db2.gz HAGHLWFKABQAND-NHYWBVRUSA-N 0 1 293.363 2.476 20 10 CECDMN CC(C)C[C@H](C[NH2+]Cc1cccc(F)c1O)C(=O)[O-] ZINC000818630485 633966365 /nfs/dbraw/zinc/96/63/65/633966365.db2.gz LWXQZHDIRIORGN-LLVKDONJSA-N 0 1 269.316 2.368 20 10 CECDMN C[C@H](NCCCSc1nccs1)c1cn(C)nn1 ZINC000902808922 634838683 /nfs/dbraw/zinc/83/86/83/634838683.db2.gz OAMDWHZNSOYTHW-VIFPVBQESA-N 0 1 283.426 2.105 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503823 634932665 /nfs/dbraw/zinc/93/26/65/634932665.db2.gz LSVIDWZSZWBAKF-GFCCVEGCSA-N 0 1 292.770 2.474 20 10 CECDMN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CNCCC1(F)F ZINC000903954537 635387762 /nfs/dbraw/zinc/38/77/62/635387762.db2.gz DSNJBSYYMUGBFV-JTQLQIEISA-N 0 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[O-]c1c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)ccc(F)c1F ZINC000703420054 809651832 /nfs/dbraw/zinc/65/18/32/809651832.db2.gz DFVQYFZNVRTTBC-MNOVXSKESA-N 0 1 269.291 2.139 20 10 CECDMN [O-]c1cccc(F)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001137837348 809777678 /nfs/dbraw/zinc/77/76/78/809777678.db2.gz CCCUJHJQSDQLKS-GFCCVEGCSA-N 0 1 264.344 2.201 20 10 CECDMN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1F ZINC001137839277 809819143 /nfs/dbraw/zinc/81/91/43/809819143.db2.gz ZMBYOQAUWPWUJH-ZDUSSCGKSA-N 0 1 253.317 2.267 20 10 CECDMN CC[C@](C)(CO)[NH2+]Cc1c([O-])cccc1Br ZINC000706883143 809863678 /nfs/dbraw/zinc/86/36/78/809863678.db2.gz FJNGLWMCAYFGTF-GFCCVEGCSA-N 0 1 288.185 2.405 20 10 CECDMN Oc1c(F)cc(F)cc1CN1CCO[C@@H](C(F)(F)F)C1 ZINC000708382788 809928758 /nfs/dbraw/zinc/92/87/58/809928758.db2.gz HWPDMBQHVHQTSU-SNVBAGLBSA-N 0 1 297.223 2.434 20 10 CECDMN C[C@H]1OCCN(Cc2cc(F)cc(F)c2O)[C@H]1C ZINC000708399235 809928933 /nfs/dbraw/zinc/92/89/33/809928933.db2.gz KIZUTVOZORYKIP-DTWKUNHWSA-N 0 1 257.280 2.280 20 10 CECDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1cn(C)cn1 ZINC000709956129 809977514 /nfs/dbraw/zinc/97/75/14/809977514.db2.gz YLJODDSDTZCARJ-GFCCVEGCSA-N 0 1 258.369 2.337 20 10 CECDMN C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(Br)ccc1[O-] ZINC000378720497 810666698 /nfs/dbraw/zinc/66/66/98/810666698.db2.gz FVGTWFMTADDOAH-HNBZJPLGSA-N 0 1 286.169 2.329 20 10 CECDMN Cc1cc(NC2CC2)nc(NCc2ccc(O)c(O)c2)n1 ZINC001169993396 811861660 /nfs/dbraw/zinc/86/16/60/811861660.db2.gz NTQZTVSVTBOEEB-UHFFFAOYSA-N 0 1 286.335 2.383 20 10 CECDMN CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000694388737 814634597 /nfs/dbraw/zinc/63/45/97/814634597.db2.gz SOOOSXGCLMNBBF-NEPJUHHUSA-N 0 1 286.169 2.422 20 10 CECDMN CC(=O)N1CC[C@@H]([N@H+](Cc2c([O-])cccc2F)C(C)C)C1 ZINC001137839651 815694042 /nfs/dbraw/zinc/69/40/42/815694042.db2.gz GHONHLHNTZVSTE-CYBMUJFWSA-N 0 1 294.370 2.363 20 10 CECDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001138124127 815734976 /nfs/dbraw/zinc/73/49/76/815734976.db2.gz ZZRHFFJWVJVMQS-AWEZNQCLSA-N 0 1 251.301 2.286 20 10 CECDMN Cc1c(CN(C)CC(=O)N(C)C)c2ccccc2n1C ZINC001138256665 815756932 /nfs/dbraw/zinc/75/69/32/815756932.db2.gz FUNLIVNQVYQXCS-UHFFFAOYSA-N 0 1 273.380 2.007 20 10 CECDMN CNc1ncccc1C[N@@H+](C)Cc1ccccc1O ZINC001138696520 815872435 /nfs/dbraw/zinc/87/24/35/815872435.db2.gz ROFZZZWJQBZFAP-UHFFFAOYSA-N 0 1 257.337 2.461 20 10 CECDMN CNc1ncccc1CN(C)Cc1ccccc1O ZINC001138696520 815872442 /nfs/dbraw/zinc/87/24/42/815872442.db2.gz ROFZZZWJQBZFAP-UHFFFAOYSA-N 0 1 257.337 2.461 20 10 CECDMN CCOC(=O)[C@@H]1CN(Cc2cc(F)ccc2O)CCS1 ZINC001140060244 816181059 /nfs/dbraw/zinc/18/10/59/816181059.db2.gz QSWAJDXJBSLXLN-ZDUSSCGKSA-N 0 1 299.367 2.012 20 10 CECDMN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140462961 816261047 /nfs/dbraw/zinc/26/10/47/816261047.db2.gz PVXURBVVHGNPSK-SNVBAGLBSA-N 0 1 269.728 2.041 20 10 CECDMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140462961 816261052 /nfs/dbraw/zinc/26/10/52/816261052.db2.gz PVXURBVVHGNPSK-SNVBAGLBSA-N 0 1 269.728 2.041 20 10 CECDMN C[C@H]1CC[C@H](CO)C[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140582065 816290536 /nfs/dbraw/zinc/29/05/36/816290536.db2.gz BDSCGPRTSVUOQL-UWVGGRQHSA-N 0 1 271.307 2.263 20 10 CECDMN CC(=O)[C@@H]1CCCCN1Cc1ccc(O)c(C)c1O ZINC001140747931 816340497 /nfs/dbraw/zinc/34/04/97/816340497.db2.gz OAZZRDCOVVTFGH-ZDUSSCGKSA-N 0 1 263.337 2.350 20 10 CECDMN C[NH+](C)[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142520985 816678830 /nfs/dbraw/zinc/67/88/30/816678830.db2.gz SLSCXRYQAOBNQD-LLVKDONJSA-N 0 1 270.323 2.196 20 10 CECDMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524747 816679147 /nfs/dbraw/zinc/67/91/47/816679147.db2.gz IZONQVXUAYIPQE-SNVBAGLBSA-N 0 1 299.317 2.446 20 10 CECDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001142524807 816681213 /nfs/dbraw/zinc/68/12/13/816681213.db2.gz LJWLKKVNKPDLOC-NSHDSACASA-N 0 1 294.305 2.099 20 10 CECDMN CC(=O)[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531481 816682545 /nfs/dbraw/zinc/68/25/45/816682545.db2.gz YOQRBJXUTJZCSK-VIFPVBQESA-N 0 1 255.264 2.081 20 10 CECDMN CCN(Cc1cnn(C)c1)Cc1cc(F)ccc1O ZINC000179978384 368361459 /nfs/dbraw/zinc/36/14/59/368361459.db2.gz HQRWRMSWDCHXFE-UHFFFAOYSA-N 0 1 263.316 2.287 20 10 CECDMN CNC(=O)CCC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180506501 368384431 /nfs/dbraw/zinc/38/44/31/368384431.db2.gz VZIUGPWFJJFCKF-UHFFFAOYSA-N 0 1 270.760 2.004 20 10 CECDMN CCCN1CCCN(Cc2cccc(C)c2O)CC1=O ZINC000189200639 369474251 /nfs/dbraw/zinc/47/42/51/369474251.db2.gz MLJKGACQVCUQFF-UHFFFAOYSA-N 0 1 276.380 2.145 20 10 CECDMN CCN1CCCN(Cc2cc(C)c(C)cc2O)CC1=O ZINC000189220080 369478077 /nfs/dbraw/zinc/47/80/77/369478077.db2.gz AMAKKDICFBMFFQ-UHFFFAOYSA-N 0 1 276.380 2.063 20 10 CECDMN OCCN(Cc1cccc(Cl)c1O)CC(F)F ZINC000193028982 369883473 /nfs/dbraw/zinc/88/34/73/369883473.db2.gz QZJZLDDGJQWAMV-UHFFFAOYSA-N 0 1 265.687 2.105 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000269865258 372582763 /nfs/dbraw/zinc/58/27/63/372582763.db2.gz XAEDWTJQQPEQQD-IINYFYTJSA-N 0 1 295.354 2.469 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000269865258 372582766 /nfs/dbraw/zinc/58/27/66/372582766.db2.gz XAEDWTJQQPEQQD-IINYFYTJSA-N 0 1 295.354 2.469 20 10 CECDMN NC(=O)C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271189916 373171986 /nfs/dbraw/zinc/17/19/86/373171986.db2.gz PHXCAFRXPKTTSQ-JTQLQIEISA-N 0 1 282.771 2.133 20 10 CECDMN NC(=O)C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271189916 373171993 /nfs/dbraw/zinc/17/19/93/373171993.db2.gz PHXCAFRXPKTTSQ-JTQLQIEISA-N 0 1 282.771 2.133 20 10 CECDMN C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000273464220 373759862 /nfs/dbraw/zinc/75/98/62/373759862.db2.gz DIAOWOVZGVCLMI-YMTOWFKASA-N 0 1 295.770 2.163 20 10 CECDMN COC[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273561428 373764571 /nfs/dbraw/zinc/76/45/71/373764571.db2.gz IHHXLFPNGYJTGG-ONGXEEELSA-N 0 1 273.760 2.094 20 10 CECDMN Cc1ccc(O)c(CN[C@H](c2nncn2C)C(C)C)c1 ZINC000285580074 375840142 /nfs/dbraw/zinc/84/01/42/375840142.db2.gz TXVKFWDFRXGXEE-AWEZNQCLSA-N 0 1 274.368 2.316 20 10 CECDMN CC(C)[C@H](NCc1ccccc1O)c1nncn1C ZINC000285517408 375840679 /nfs/dbraw/zinc/84/06/79/375840679.db2.gz OAAGFPCYIWSBFV-ZDUSSCGKSA-N 0 1 260.341 2.008 20 10 CECDMN CC[C@@H](NCc1ncn(C)n1)c1cccc(Cl)c1O ZINC000287625123 376278559 /nfs/dbraw/zinc/27/85/59/376278559.db2.gz KAKPCVIJQBHSGX-LLVKDONJSA-N 0 1 280.759 2.415 20 10 CECDMN CC[C@@H]([NH2+]Cc1ncn(C)n1)c1cccc(Cl)c1[O-] ZINC000287625123 376278561 /nfs/dbraw/zinc/27/85/61/376278561.db2.gz KAKPCVIJQBHSGX-LLVKDONJSA-N 0 1 280.759 2.415 20 10 CECDMN OC[C@]1(F)CCCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000293918296 377826059 /nfs/dbraw/zinc/82/60/59/377826059.db2.gz MJUSTHLKSZAMPA-ZDUSSCGKSA-N 0 1 291.725 2.481 20 10 CECDMN CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000295122741 378042645 /nfs/dbraw/zinc/04/26/45/378042645.db2.gz NLIPYOLMIJBKPB-NSHDSACASA-N 0 1 298.770 2.318 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCOC2(C)C)c1[O-] ZINC000295151563 378045192 /nfs/dbraw/zinc/04/51/92/378045192.db2.gz DEKXGZCUHGXBAV-ZDUSSCGKSA-N 0 1 281.327 2.391 20 10 CECDMN COc1cccc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c1O ZINC000295206320 378049813 /nfs/dbraw/zinc/04/98/13/378049813.db2.gz KUXLIZFWXNFXBQ-CYBMUJFWSA-N 0 1 279.380 2.384 20 10 CECDMN C[C@@H]([NH2+]CCN1CCC(O)CC1)c1cc(Cl)ccc1[O-] ZINC000295813796 533393832 /nfs/dbraw/zinc/39/38/32/533393832.db2.gz BGCRITFDLWGYRF-LLVKDONJSA-N 0 1 298.814 2.153 20 10 CECDMN CSC[C@@](C)(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000120647042 394781656 /nfs/dbraw/zinc/78/16/56/394781656.db2.gz HZWHMKUGGSDGCQ-LBPRGKRZSA-N 0 1 275.801 2.249 20 10 CECDMN COc1cccc(CN2CCO[C@@H](C)[C@H]2C)c1O ZINC000093418393 260275824 /nfs/dbraw/zinc/27/58/24/260275824.db2.gz VDUKULACYWXALT-MNOVXSKESA-N 0 1 251.326 2.010 20 10 CECDMN C[C@@H]([NH2+]CCCN1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000184837865 262030733 /nfs/dbraw/zinc/03/07/33/262030733.db2.gz DJNCOMLANWYTQF-GFCCVEGCSA-N 0 1 298.814 2.419 20 10 CECDMN CC(=O)NCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000184921590 262034223 /nfs/dbraw/zinc/03/42/23/262034223.db2.gz XKYQVAHNFQGQME-VIFPVBQESA-N 0 1 270.760 2.222 20 10 CECDMN COCCOCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185136670 262043952 /nfs/dbraw/zinc/04/39/52/262043952.db2.gz BLERMLUSLCZAFE-JTQLQIEISA-N 0 1 273.760 2.359 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](O)CC1 ZINC000294243256 265015228 /nfs/dbraw/zinc/01/52/28/265015228.db2.gz ZZHZFHNQHCGBPF-SNVBAGLBSA-N 0 1 255.745 2.392 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000294243256 265015230 /nfs/dbraw/zinc/01/52/30/265015230.db2.gz ZZHZFHNQHCGBPF-SNVBAGLBSA-N 0 1 255.745 2.392 20 10 CECDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000368974801 267215044 /nfs/dbraw/zinc/21/50/44/267215044.db2.gz PEHTXSIPDAVFJP-XWIASGKRSA-N 0 1 294.782 2.131 20 10 CECDMN C[C@@H]1COCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000370188057 267296803 /nfs/dbraw/zinc/29/68/03/267296803.db2.gz ZXVBPRURZFFRKF-LBPRGKRZSA-N 0 1 266.360 2.360 20 10 CECDMN Cc1ccc(O)c(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000377709399 329026438 /nfs/dbraw/zinc/02/64/38/329026438.db2.gz YVMQGJYUPPSPBE-GOEBONIOSA-N 0 1 277.364 2.080 20 10 CECDMN Cc1ccc(O)c(CN2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000377709399 329026439 /nfs/dbraw/zinc/02/64/39/329026439.db2.gz YVMQGJYUPPSPBE-GOEBONIOSA-N 0 1 277.364 2.080 20 10 CECDMN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCOCC1 ZINC000226615594 329262358 /nfs/dbraw/zinc/26/23/58/329262358.db2.gz FXXINJUKUCDPCL-SNVBAGLBSA-N 0 1 253.317 2.436 20 10 CECDMN O=C1Nc2ccccc2C[C@H]1NCc1ccc2c(c1)CCO2 ZINC000527799109 330284017 /nfs/dbraw/zinc/28/40/17/330284017.db2.gz JWVCIJCMOSLILW-MRXNPFEDSA-N 0 1 294.354 2.275 20 10 CECDMN CC[C@@H]1CN(Cc2cccc(OC)c2O)CCO1 ZINC000132013578 523455212 /nfs/dbraw/zinc/45/52/12/523455212.db2.gz BHLFPSZYPBMUPX-GFCCVEGCSA-N 0 1 251.326 2.012 20 10 CECDMN C[C@H]1CCN(Cc2cccc(Cl)c2O)CC[S@@]1=O ZINC000277601071 524294854 /nfs/dbraw/zinc/29/48/54/524294854.db2.gz LEKKNYUEPPUNOO-XTZNXHDOSA-N 0 1 287.812 2.389 20 10 CECDMN COc1ccc(N2CCN(CCOC(C)C)CC2)cc1F ZINC000084866654 524427303 /nfs/dbraw/zinc/42/73/03/524427303.db2.gz UGKHCMUOSBFBQJ-UHFFFAOYSA-N 0 1 296.386 2.381 20 10 CECDMN Cc1cc(O)c(CN2CCC[C@](F)(CO)C2)cc1C ZINC000289789019 525316397 /nfs/dbraw/zinc/31/63/97/525316397.db2.gz LSYKNIFTTKLQDQ-OAHLLOKOSA-N 0 1 267.344 2.305 20 10 CECDMN Cc1cc([C@H]2CCCN(C(=O)Cc3ccc(N)cc3)C2)n[nH]1 ZINC000364853259 525541347 /nfs/dbraw/zinc/54/13/47/525541347.db2.gz YCPJIZGXCSYGKM-AWEZNQCLSA-N 0 1 298.390 2.249 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH+]1CCC2(CC1)OCCO2 ZINC000126111355 526364114 /nfs/dbraw/zinc/36/41/14/526364114.db2.gz XMKJCFDQDXEUSV-UHFFFAOYSA-N 0 1 283.755 2.385 20 10 CECDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)N(C)C ZINC000750192715 575253693 /nfs/dbraw/zinc/25/36/93/575253693.db2.gz SXFAUKBDVMULEI-ZDUSSCGKSA-N 0 1 277.412 2.051 20 10 CECDMN CCC[N@@H+](CC(=O)[O-])Cc1cc(OCC)ccc1O ZINC000829472925 604475932 /nfs/dbraw/zinc/47/59/32/604475932.db2.gz FHRKYBHMXWZMAM-UHFFFAOYSA-N 0 1 267.325 2.088 20 10 CECDMN CCOc1ccc(O)c(C[N@@H+](C)C(C)(C)C(=O)[O-])c1 ZINC000833662361 604627790 /nfs/dbraw/zinc/62/77/90/604627790.db2.gz CMUWIIKLQLTJHE-UHFFFAOYSA-N 0 1 267.325 2.086 20 10 CECDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(F)ccc1O ZINC000232635166 605480041 /nfs/dbraw/zinc/48/00/41/605480041.db2.gz CWQKYSVZUBAPNW-UHFFFAOYSA-N 0 1 255.289 2.216 20 10 CECDMN O=C([O-])N[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000834188851 605991542 /nfs/dbraw/zinc/99/15/42/605991542.db2.gz DDKBRZATVUBWDN-VIFPVBQESA-N 0 1 288.706 2.027 20 10 CECDMN CC[N@H+](CC(=O)NCc1cccc(Cl)c1[O-])C1CC1 ZINC000890759612 622931450 /nfs/dbraw/zinc/93/14/50/622931450.db2.gz DVUPJDOZYGGJKU-UHFFFAOYSA-N 0 1 282.771 2.146 20 10 CECDMN CC[N@@H+](CC(=O)NCc1cccc(Cl)c1[O-])C1CC1 ZINC000890759612 622931453 /nfs/dbraw/zinc/93/14/53/622931453.db2.gz DVUPJDOZYGGJKU-UHFFFAOYSA-N 0 1 282.771 2.146 20 10 CECDMN COc1ccc(CN2CCOC(C)(C)[C@@H]2C)c(O)c1OC ZINC000892068845 624292040 /nfs/dbraw/zinc/29/20/40/624292040.db2.gz UTPVJMMOSMFHEY-NSHDSACASA-N 0 1 295.379 2.409 20 10 CECDMN CON(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000850479807 627286970 /nfs/dbraw/zinc/28/69/70/627286970.db2.gz ZSLVYJLBQLQAQD-VIFPVBQESA-N 0 1 258.749 2.189 20 10 CECDMN CNC(=O)[C@]1(C)CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840941953 628784228 /nfs/dbraw/zinc/78/42/28/628784228.db2.gz HXAYIIOHWWEWKG-OAHLLOKOSA-N 0 1 296.798 2.312 20 10 CECDMN CNC(=O)[C@]1(C)CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840941953 628784232 /nfs/dbraw/zinc/78/42/32/628784232.db2.gz HXAYIIOHWWEWKG-OAHLLOKOSA-N 0 1 296.798 2.312 20 10 CECDMN CNC(=O)[C@]1(C)CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840941953 628784234 /nfs/dbraw/zinc/78/42/34/628784234.db2.gz HXAYIIOHWWEWKG-OAHLLOKOSA-N 0 1 296.798 2.312 20 10 CECDMN CC[C@]1(C)CN(Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000893908255 629048506 /nfs/dbraw/zinc/04/85/06/629048506.db2.gz UTQCXDRCISUILM-MRXNPFEDSA-N 0 1 295.379 2.410 20 10 CECDMN Oc1c(F)cc(F)cc1CN1CCC[C@@H]1c1ncon1 ZINC000893986782 629078055 /nfs/dbraw/zinc/07/80/55/629078055.db2.gz CPYAJDBLPWADOT-LLVKDONJSA-N 0 1 281.262 2.391 20 10 CECDMN COc1ccc(CNCc2c(Cl)c(C)nn2C)c(O)c1 ZINC000894185461 629197390 /nfs/dbraw/zinc/19/73/90/629197390.db2.gz OJFYBLABOMHEGK-UHFFFAOYSA-N 0 1 295.770 2.386 20 10 CECDMN Cc1cc(NS(=O)(=O)c2ccoc2)ccc1O ZINC000795339478 629520723 /nfs/dbraw/zinc/52/07/23/629520723.db2.gz JUZRABNMVSAWAU-UHFFFAOYSA-N 0 1 253.279 2.094 20 10 CECDMN C[C@@H]1CCN(Cc2cc(F)cc(F)c2O)CC[S@]1=O ZINC000894567038 629536249 /nfs/dbraw/zinc/53/62/49/629536249.db2.gz PHGVUGFMUGIYKP-AYLIAGHASA-N 0 1 289.347 2.013 20 10 CECDMN C[C@@H]1OCC[C@@]12CN(Cc1cc(F)cc(F)c1O)CCO2 ZINC000894603524 629548642 /nfs/dbraw/zinc/54/86/42/629548642.db2.gz ZJNMPHYIKJQCKE-ZUZCIYMTSA-N 0 1 299.317 2.050 20 10 CECDMN [O-]c1ccc(F)cc1C[NH2+]CC1(CO)CCCC1 ZINC000186528137 629938144 /nfs/dbraw/zinc/93/81/44/629938144.db2.gz KAWVZYSSOYAFTK-UHFFFAOYSA-N 0 1 253.317 2.174 20 10 CECDMN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(=O)[nH]n1 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Cc1cc([O-])c(C[NH2+][C@H]2CC23CC(O)C3)cc1Cl ZINC000897840908 631938841 /nfs/dbraw/zinc/93/88/41/631938841.db2.gz IMZCJLQIWKLFIM-AWAWDMARSA-N 0 1 267.756 2.357 20 10 CECDMN C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816593869 633419822 /nfs/dbraw/zinc/41/98/22/633419822.db2.gz HEYKCSKSDSIXEY-PXAZEXFGSA-N 0 1 287.359 2.175 20 10 CECDMN CNC(=O)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000817414797 633653340 /nfs/dbraw/zinc/65/33/40/633653340.db2.gz KHBAMSZSIBYPQG-AWEZNQCLSA-N 0 1 284.359 2.113 20 10 CECDMN CNC(=O)[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000817414797 633653345 /nfs/dbraw/zinc/65/33/45/633653345.db2.gz KHBAMSZSIBYPQG-AWEZNQCLSA-N 0 1 284.359 2.113 20 10 CECDMN CC(=O)N[C@@H]1CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000817415802 633654334 /nfs/dbraw/zinc/65/43/34/633654334.db2.gz ZLLQNQJEEXRTLF-CYBMUJFWSA-N 0 1 282.771 2.064 20 10 CECDMN CCOc1ccc(O)c(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000817880795 633750148 /nfs/dbraw/zinc/75/01/48/633750148.db2.gz GWDRGXOCPBHRGU-NEPJUHHUSA-N 0 1 293.363 2.476 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503824 634932698 /nfs/dbraw/zinc/93/26/98/634932698.db2.gz LSVIDWZSZWBAKF-LBPRGKRZSA-N 0 1 292.770 2.474 20 10 CECDMN CCn1nnc(C)c1CNCc1ccc(N(C)C)cc1C ZINC000823851548 635290955 /nfs/dbraw/zinc/29/09/55/635290955.db2.gz OPKVNEXGWUFQOX-UHFFFAOYSA-N 0 1 287.411 2.271 20 10 CECDMN [O-]c1ccc(F)cc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000824846438 635510926 /nfs/dbraw/zinc/51/09/26/635510926.db2.gz SCGIWWTUMNMUOO-ZBFHGGJFSA-N 0 1 279.355 2.418 20 10 CECDMN CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824913173 635523809 /nfs/dbraw/zinc/52/38/09/635523809.db2.gz KHHAWZZIJLPPHR-JTQLQIEISA-N 0 1 284.787 2.168 20 10 CECDMN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824913173 635523812 /nfs/dbraw/zinc/52/38/12/635523812.db2.gz KHHAWZZIJLPPHR-JTQLQIEISA-N 0 1 284.787 2.168 20 10 CECDMN C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000825104268 635569951 /nfs/dbraw/zinc/56/99/51/635569951.db2.gz SGIVGESNUXIYNX-RDDDGLTNSA-N 0 1 259.708 2.140 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](CO)C2CC2)cc1Cl ZINC000825291201 635606437 /nfs/dbraw/zinc/60/64/37/635606437.db2.gz GQXCDKLGMSJRFI-GFCCVEGCSA-N 0 1 255.745 2.215 20 10 CECDMN COC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000826096738 635760847 /nfs/dbraw/zinc/76/08/47/635760847.db2.gz BEXRGHHAYUNINY-HNNXBMFYSA-N 0 1 299.798 2.185 20 10 CECDMN COC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000826096738 635760850 /nfs/dbraw/zinc/76/08/50/635760850.db2.gz BEXRGHHAYUNINY-HNNXBMFYSA-N 0 1 299.798 2.185 20 10 CECDMN CCN1C[C@@H](C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1=O ZINC000826142708 635765782 /nfs/dbraw/zinc/76/57/82/635765782.db2.gz IPRSKHVOPAKSTP-LLVKDONJSA-N 0 1 296.798 2.312 20 10 CECDMN O=C1CCC2=C(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)N1 ZINC000826780691 635844160 /nfs/dbraw/zinc/84/41/60/635844160.db2.gz OLWWVASLHXOCLY-UHFFFAOYSA-N 0 1 292.766 2.415 20 10 CECDMN O=C1CCC2=C(CC[N@H+](Cc3c([O-])cccc3Cl)C2)N1 ZINC000826780691 635844165 /nfs/dbraw/zinc/84/41/65/635844165.db2.gz OLWWVASLHXOCLY-UHFFFAOYSA-N 0 1 292.766 2.415 20 10 CECDMN Oc1c(F)cc(Cl)cc1CN1CC[C@H](O)C(F)(F)C1 ZINC000826958264 636172617 /nfs/dbraw/zinc/17/26/17/636172617.db2.gz PJSCYDGCJUKVSG-JTQLQIEISA-N 0 1 295.688 2.387 20 10 CECDMN C[C@H](NC(=O)c1[nH]nc2c1CCC2)c1ccccc1O ZINC000827982325 636479099 /nfs/dbraw/zinc/47/90/99/636479099.db2.gz SLCMGSNRUDJLLH-VIFPVBQESA-N 0 1 271.320 2.095 20 10 CECDMN CCC[N@H+](CC(=O)OCC)Cc1ccc(F)c(F)c1[O-] ZINC000876630499 650367611 /nfs/dbraw/zinc/36/76/11/650367611.db2.gz ARKYVDVMNBPCJO-UHFFFAOYSA-N 0 1 287.306 2.446 20 10 CECDMN CCC[N@@H+](CC(=O)OCC)Cc1ccc(F)c(F)c1[O-] ZINC000876630499 650367614 /nfs/dbraw/zinc/36/76/14/650367614.db2.gz ARKYVDVMNBPCJO-UHFFFAOYSA-N 0 1 287.306 2.446 20 10 CECDMN CN(C)c1ccc(/C=C\CNC[C@@H](O)C(F)(F)F)cc1 ZINC000835036485 638033061 /nfs/dbraw/zinc/03/30/61/638033061.db2.gz QJHOJVNPQJCEDI-DHCBQETCSA-N 0 1 288.313 2.279 20 10 CECDMN [O-]c1c(C[N@@H+](CCO)Cc2cccnc2)ccc(F)c1F ZINC000876690103 650401708 /nfs/dbraw/zinc/40/17/08/650401708.db2.gz RMJOSLBLGQMUBQ-UHFFFAOYSA-N 0 1 294.301 2.060 20 10 CECDMN C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1ccc(F)c(F)c1O ZINC000876755290 650421437 /nfs/dbraw/zinc/42/14/37/650421437.db2.gz JDFJUHRXKQEMRF-BLBZPCKPSA-N 0 1 289.347 2.012 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000840907746 639581565 /nfs/dbraw/zinc/58/15/65/639581565.db2.gz IJFZXVAQNWVCSD-JTQLQIEISA-N 0 1 282.771 2.051 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000840907746 639581569 /nfs/dbraw/zinc/58/15/69/639581569.db2.gz IJFZXVAQNWVCSD-JTQLQIEISA-N 0 1 282.771 2.051 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CO)C2)c(Cl)c1 ZINC000840912184 639583402 /nfs/dbraw/zinc/58/34/02/639583402.db2.gz BYROCIMPZNRLPQ-SNVBAGLBSA-N 0 1 255.745 2.168 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CO)C2)c(Cl)c1 ZINC000840912184 639583407 /nfs/dbraw/zinc/58/34/07/639583407.db2.gz BYROCIMPZNRLPQ-SNVBAGLBSA-N 0 1 255.745 2.168 20 10 CECDMN Cc1cc(N(C)C)ccc1CN1CCNC(=O)[C@H]1C(C)C ZINC000840915018 639584569 /nfs/dbraw/zinc/58/45/69/639584569.db2.gz ZADCHUBGMXVOEH-MRXNPFEDSA-N 0 1 289.423 2.017 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](OCCO)C2)c(Cl)c1 ZINC000840918031 639585647 /nfs/dbraw/zinc/58/56/47/639585647.db2.gz ONKDJABAFBHFTP-LBPRGKRZSA-N 0 1 299.798 2.327 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](OCCO)C2)c(Cl)c1 ZINC000840918031 639585653 /nfs/dbraw/zinc/58/56/53/639585653.db2.gz ONKDJABAFBHFTP-LBPRGKRZSA-N 0 1 299.798 2.327 20 10 CECDMN CC(C)[C@@H](N)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000841029949 639614764 /nfs/dbraw/zinc/61/47/64/639614764.db2.gz PMTNUJUIDLZPOW-NSHDSACASA-N 0 1 287.201 2.228 20 10 CECDMN C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(Cl)cc1[O-] ZINC000841754636 639858703 /nfs/dbraw/zinc/85/87/03/639858703.db2.gz UGEYFGPUTSDYCF-SECBINFHSA-N 0 1 282.771 2.222 20 10 CECDMN C[N@@H+](CCOC[C@H]1CCCO1)Cc1ccccc1O ZINC000152295300 640201880 /nfs/dbraw/zinc/20/18/80/640201880.db2.gz VCHBNCWTOQTHPG-CQSZACIVSA-N 0 1 265.353 2.020 20 10 CECDMN C[NH2+]C[C@H]1CCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000843352637 640400399 /nfs/dbraw/zinc/40/03/99/640400399.db2.gz JLVITOOFAKARNN-CYBMUJFWSA-N 0 1 296.798 2.432 20 10 CECDMN CCC(=O)CC[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402942 640709718 /nfs/dbraw/zinc/70/97/18/640709718.db2.gz XOJPIILKABSVTD-UHFFFAOYSA-N 0 1 278.396 2.432 20 10 CECDMN C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Cl)ccc1[O-] ZINC000846192185 641218102 /nfs/dbraw/zinc/21/81/02/641218102.db2.gz FWZLZQPPULXMAJ-QMTHXVAHSA-N 0 1 285.771 2.238 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)c1O ZINC000846283362 641258525 /nfs/dbraw/zinc/25/85/25/641258525.db2.gz DQOBBXRMGJFGSQ-UFBFGSQYSA-N 0 1 295.310 2.029 20 10 CECDMN C[C@@H](NC(=O)[C@@H]1NCCc2ccccc21)c1ccccc1O ZINC000877256126 650644188 /nfs/dbraw/zinc/64/41/88/650644188.db2.gz NVYAITMEBNGQMX-SJKOYZFVSA-N 0 1 296.370 2.456 20 10 CECDMN CC(C)(C(=O)NCc1cc(Cl)ccc1O)c1cnc[nH]1 ZINC000846473943 641310754 /nfs/dbraw/zinc/31/07/54/641310754.db2.gz OOEZUGJEWUZNGZ-UHFFFAOYSA-N 0 1 293.754 2.363 20 10 CECDMN CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179563718 641366457 /nfs/dbraw/zinc/36/64/57/641366457.db2.gz ZUJWHOIKRWRWIJ-AWEZNQCLSA-N 0 1 276.380 2.225 20 10 CECDMN CN(C)c1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000848640662 642085554 /nfs/dbraw/zinc/08/55/54/642085554.db2.gz UFXNJDQTSVYCGX-UHFFFAOYSA-N 0 1 262.353 2.192 20 10 CECDMN CCc1cccc(CN[C@H](C)c2nnc3n2CCC3)c1O ZINC000848900803 642179483 /nfs/dbraw/zinc/17/94/83/642179483.db2.gz KCEHKIIHUZPFJH-LLVKDONJSA-N 0 1 286.379 2.343 20 10 CECDMN CCc1nnc([C@H](C)NCc2cccc(CC)c2O)[nH]1 ZINC000848901193 642179491 /nfs/dbraw/zinc/17/94/91/642179491.db2.gz WNKCAKVMKWIBKD-JTQLQIEISA-N 0 1 274.368 2.486 20 10 CECDMN CCc1cccc(CN2CCN(CC)C(=O)[C@H]2CC)c1O ZINC000848903776 642181881 /nfs/dbraw/zinc/18/18/81/642181881.db2.gz DBOPYRMWDSHWSM-OAHLLOKOSA-N 0 1 290.407 2.397 20 10 CECDMN C[C@@H]1CN(Cc2ccc(F)c(F)c2O)C[C@@H](C)S1=O ZINC000877473025 650737797 /nfs/dbraw/zinc/73/77/97/650737797.db2.gz GKJVKPBEXCKNAM-RKDXNWHRSA-N 0 1 289.347 2.012 20 10 CECDMN CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc(F)c(F)c1[O-] ZINC000877495935 650750586 /nfs/dbraw/zinc/75/05/86/650750586.db2.gz HOQOJWMDRJEDJE-SECBINFHSA-N 0 1 287.306 2.444 20 10 CECDMN CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc(F)c(F)c1[O-] ZINC000877495935 650750587 /nfs/dbraw/zinc/75/05/87/650750587.db2.gz HOQOJWMDRJEDJE-SECBINFHSA-N 0 1 287.306 2.444 20 10 CECDMN Cc1ccc(CN(C)C[C@@H](O)C(F)(F)F)c(O)c1 ZINC000877526903 650768064 /nfs/dbraw/zinc/76/80/64/650768064.db2.gz GGQLPYYBPXLPGB-LLVKDONJSA-N 0 1 263.259 2.056 20 10 CECDMN CO[C@@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)[C@H]1CCOC1 ZINC000850342859 642673329 /nfs/dbraw/zinc/67/33/29/642673329.db2.gz NYILMFJZHBVWRL-NHYWBVRUSA-N 0 1 299.798 2.495 20 10 CECDMN Cc1cc(O)c(CN[C@@H]2C[C@H](C)n3ncnc32)cc1C ZINC000850352529 642678984 /nfs/dbraw/zinc/67/89/84/642678984.db2.gz ZSOJBHISONZIGT-WCQYABFASA-N 0 1 272.352 2.396 20 10 CECDMN [O-]c1c(C[N@@H+]2CCC[C@@H](CO)CC2)ccc(F)c1F ZINC000877555311 650785463 /nfs/dbraw/zinc/78/54/63/650785463.db2.gz SKARIVIZULPARC-SNVBAGLBSA-N 0 1 271.307 2.265 20 10 CECDMN C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877592936 650805230 /nfs/dbraw/zinc/80/52/30/650805230.db2.gz WRIHQQXLRNJEAS-KOLCDFICSA-N 0 1 271.307 2.263 20 10 CECDMN CN(C)c1ccc(/C=C/CN2CC(CCO)C2)cc1 ZINC000839137051 644171149 /nfs/dbraw/zinc/17/11/49/644171149.db2.gz XPGOGZLDWLPULA-ONEGZZNKSA-N 0 1 260.381 2.080 20 10 CECDMN CN(C)c1ccc(CNCc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000839169058 644178512 /nfs/dbraw/zinc/17/85/12/644178512.db2.gz GPAWAINCXFRAKW-UHFFFAOYSA-N 0 1 287.411 2.458 20 10 CECDMN COc1nccnc1CN[C@@H](C)c1ccccc1O ZINC000877758019 650900327 /nfs/dbraw/zinc/90/03/27/650900327.db2.gz DGLVFSQEHQPODU-JTQLQIEISA-N 0 1 259.309 2.042 20 10 CECDMN CC(=O)c1cnc(NC(=O)c2c(F)ccc(O)c2O)s1 ZINC000790070932 644277515 /nfs/dbraw/zinc/27/75/15/644277515.db2.gz LXNMVWKXRHUAFV-UHFFFAOYSA-N 0 1 296.279 2.148 20 10 CECDMN C[C@@H]([NH2+]Cc1cocn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756832769 644697481 /nfs/dbraw/zinc/69/74/81/644697481.db2.gz SXGGWGVDQNEKKA-MRVPVSSYSA-N 0 1 263.253 2.139 20 10 CECDMN C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1CO ZINC000857061446 644806672 /nfs/dbraw/zinc/80/66/72/644806672.db2.gz QWDRKKYJFSCVDX-ZYHUDNBSSA-N 0 1 269.772 2.496 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1CO ZINC000857061446 644806678 /nfs/dbraw/zinc/80/66/78/644806678.db2.gz QWDRKKYJFSCVDX-ZYHUDNBSSA-N 0 1 269.772 2.496 20 10 CECDMN Cc1ccc(O)c(CNCc2cn(C(C)C)nn2)c1 ZINC000858238780 645096032 /nfs/dbraw/zinc/09/60/32/645096032.db2.gz CWKMXVMFJVUOSR-UHFFFAOYSA-N 0 1 260.341 2.163 20 10 CECDMN C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(Cl)cc1[O-] ZINC000858435818 645158972 /nfs/dbraw/zinc/15/89/72/645158972.db2.gz UMFDFNHPJRQPII-CABZTGNLSA-N 0 1 295.770 2.163 20 10 CECDMN COc1cncc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000859257421 645438524 /nfs/dbraw/zinc/43/85/24/645438524.db2.gz AYXGUFQPNFMWAV-GFCCVEGCSA-N 0 1 286.379 2.402 20 10 CECDMN [O-]c1cc2c(cc1C[NH+](CC1CC1)CC1CC1)[C@@H](O)CO2 ZINC000768448768 646124115 /nfs/dbraw/zinc/12/41/15/646124115.db2.gz WKZNIDRAQKINMG-INIZCTEOSA-N 0 1 289.375 2.440 20 10 CECDMN CCC[N@H+](CCO)Cc1c([O-])cccc1Br ZINC000862213813 646364565 /nfs/dbraw/zinc/36/45/65/646364565.db2.gz VQWQTFDNGFASLD-UHFFFAOYSA-N 0 1 288.185 2.359 20 10 CECDMN CCC[N@@H+](CCO)Cc1c([O-])cccc1Br ZINC000862213813 646364568 /nfs/dbraw/zinc/36/45/68/646364568.db2.gz VQWQTFDNGFASLD-UHFFFAOYSA-N 0 1 288.185 2.359 20 10 CECDMN CC[N@H+](CCCO)Cc1c([O-])cccc1Br ZINC000862248739 646380585 /nfs/dbraw/zinc/38/05/85/646380585.db2.gz QQQBMCXRIWAVMV-UHFFFAOYSA-N 0 1 288.185 2.359 20 10 CECDMN CC[N@@H+](CCCO)Cc1c([O-])cccc1Br ZINC000862248739 646380595 /nfs/dbraw/zinc/38/05/95/646380595.db2.gz QQQBMCXRIWAVMV-UHFFFAOYSA-N 0 1 288.185 2.359 20 10 CECDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000862415272 646448929 /nfs/dbraw/zinc/44/89/29/646448929.db2.gz BDDMHCOUQWXYOC-TVQRCGJNSA-N 0 1 298.180 2.111 20 10 CECDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000862415272 646448934 /nfs/dbraw/zinc/44/89/34/646448934.db2.gz BDDMHCOUQWXYOC-TVQRCGJNSA-N 0 1 298.180 2.111 20 10 CECDMN C[C@@H](O)C1(NCc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862418798 646452314 /nfs/dbraw/zinc/45/23/14/646452314.db2.gz LSJSPHLQQTWCJR-SECBINFHSA-N 0 1 270.323 2.034 20 10 CECDMN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@@]1(C)CO ZINC000862418025 646452392 /nfs/dbraw/zinc/45/23/92/646452392.db2.gz KCLMVKZOZUOQNN-BZNIZROVSA-N 0 1 298.377 2.481 20 10 CECDMN Oc1c(Cl)cccc1CN1CC2(C1)CCCO2 ZINC000862484283 646476897 /nfs/dbraw/zinc/47/68/97/646476897.db2.gz IURDVHCWTYIYAZ-UHFFFAOYSA-N 0 1 253.729 2.410 20 10 CECDMN O=c1[n-]c(C[N@H+](Cc2ccccc2O)C2CCCC2)n[nH]1 ZINC000774626803 646869782 /nfs/dbraw/zinc/86/97/82/646869782.db2.gz MJZJNECAEXFKTR-UHFFFAOYSA-N 0 1 288.351 2.161 20 10 CECDMN COc1ccc(O)c([C@@H](C)NCc2cc(C)n(C)n2)c1 ZINC000775370428 646946587 /nfs/dbraw/zinc/94/65/87/646946587.db2.gz NDMUZGDSVYZPFX-LLVKDONJSA-N 0 1 275.352 2.294 20 10 CECDMN C[C@H]1COCCN1Cc1cc(Cl)cc(F)c1O ZINC000775655062 646977185 /nfs/dbraw/zinc/97/71/85/646977185.db2.gz TZNZPBMBYRKLRD-QMMMGPOBSA-N 0 1 259.708 2.405 20 10 CECDMN COC(=O)[C@H]1C[C@H](C)CCN1Cc1ccccc1O ZINC000776000790 647015065 /nfs/dbraw/zinc/01/50/65/647015065.db2.gz NPSCOCLQEKDHNZ-DGCLKSJQSA-N 0 1 263.337 2.166 20 10 CECDMN C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1cc(Cl)ccc1[O-] ZINC000864470518 647023983 /nfs/dbraw/zinc/02/39/83/647023983.db2.gz ZWHFVUORCSGADH-XCBNKYQSSA-N 0 1 253.733 2.068 20 10 CECDMN O=S(=O)(Nc1ccc(O)cc1)c1cncc(Cl)c1 ZINC000776745274 647086644 /nfs/dbraw/zinc/08/66/44/647086644.db2.gz VEXUCFBDIKKYOC-UHFFFAOYSA-N 0 1 284.724 2.241 20 10 CECDMN Cc1cccc(CN(C)[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000777219782 647121776 /nfs/dbraw/zinc/12/17/76/647121776.db2.gz NCAYJAQHLRNCOJ-LBPRGKRZSA-N 0 1 278.396 2.436 20 10 CECDMN CC(C)(C)CC(=O)N1CCN(Cc2ccccc2O)CC1 ZINC000778996065 647280408 /nfs/dbraw/zinc/28/04/08/647280408.db2.gz LMVZDMBOXXWXGC-UHFFFAOYSA-N 0 1 290.407 2.473 20 10 CECDMN COc1ccc(O)c(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1 ZINC000783737106 647754780 /nfs/dbraw/zinc/75/47/80/647754780.db2.gz JUPHUWUHWNKMRO-SDDRHHMPSA-N 0 1 265.353 2.399 20 10 CECDMN COc1cccc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000783738382 647755003 /nfs/dbraw/zinc/75/50/03/647755003.db2.gz SYLMFSYUQAUFJL-TUAOUCFPSA-N 0 1 265.353 2.399 20 10 CECDMN CC[C@@H](NCc1ncnn1CC)c1ccccc1O ZINC000785789924 647957824 /nfs/dbraw/zinc/95/78/24/647957824.db2.gz WHTXPWIOOJAIRW-GFCCVEGCSA-N 0 1 260.341 2.245 20 10 CECDMN Oc1c(Cl)cccc1CN1C[C@@H](O)CC(F)(F)C1 ZINC000787438712 648109113 /nfs/dbraw/zinc/10/91/13/648109113.db2.gz VQEYUEIMCCJYJM-VIFPVBQESA-N 0 1 277.698 2.248 20 10 CECDMN C[C@@H]1c2nncn2CCN1Cc1c(O)ccc(Cl)c1F ZINC000792185344 648621434 /nfs/dbraw/zinc/62/14/34/648621434.db2.gz DGTZWGIMQCDQJR-MRVPVSSYSA-N 0 1 296.733 2.353 20 10 CECDMN CC[C@@H]1COCCN1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000873187849 649582207 /nfs/dbraw/zinc/58/22/07/649582207.db2.gz BGPZUSJOWZQMBC-GFCCVEGCSA-N 0 1 298.814 2.246 20 10 CECDMN COc1cccc(CN[C@H](C)c2nccnc2C)c1O ZINC000873188491 649582839 /nfs/dbraw/zinc/58/28/39/649582839.db2.gz IQFVTWLUWQXRRR-LLVKDONJSA-N 0 1 273.336 2.350 20 10 CECDMN CCc1cc(=O)[nH]c(CN[C@H](C)c2ccccc2O)n1 ZINC000879648810 651335438 /nfs/dbraw/zinc/33/54/38/651335438.db2.gz AMRKPXSOSSMXSA-SNVBAGLBSA-N 0 1 273.336 2.301 20 10 CECDMN C[C@H](CC[NH2+]Cc1c([O-])cccc1Cl)[S@](C)=O ZINC000129391379 651937197 /nfs/dbraw/zinc/93/71/97/651937197.db2.gz RDJFLVPVJHTQEE-VVVCHXIZSA-N 0 1 275.801 2.292 20 10 CECDMN C[NH+](C)CCn1ccc(NCc2cc(F)cc(F)c2[O-])n1 ZINC000883037575 652339357 /nfs/dbraw/zinc/33/93/57/652339357.db2.gz CQLPLAORGCOQED-UHFFFAOYSA-N 0 1 296.321 2.041 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724961857 803374567 /nfs/dbraw/zinc/37/45/67/803374567.db2.gz VUNNUDGLSPLEBQ-YXMLORGKSA-N 0 1 298.180 2.158 20 10 CECDMN C[C@H]([NH2+]Cc1c([O-])cccc1Cl)C1(CO)CC1 ZINC000696099870 807143674 /nfs/dbraw/zinc/14/36/74/807143674.db2.gz QKJLWLPTUWJWFO-VIFPVBQESA-N 0 1 255.745 2.296 20 10 CECDMN COC[C@@H]1COCCN1Cc1cc(Cl)cc(F)c1O ZINC001237623396 808234668 /nfs/dbraw/zinc/23/46/68/808234668.db2.gz MSWYTLJDOIGXBQ-LLVKDONJSA-N 0 1 289.734 2.032 20 10 CECDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001237807955 808257680 /nfs/dbraw/zinc/25/76/80/808257680.db2.gz OUSWYTVMSLZFFK-QWRGUYRKSA-N 0 1 277.698 2.089 20 10 CECDMN Oc1c(F)cc(F)cc1CNCc1nc(C(F)F)no1 ZINC001120060381 815194694 /nfs/dbraw/zinc/19/46/94/815194694.db2.gz ZGNIFDLEEISRGC-UHFFFAOYSA-N 0 1 291.204 2.281 20 10 CECDMN [O-]c1c(CN2CC[N@H+]3CCCC[C@H]3C2)ccc(F)c1F ZINC000703449148 809650580 /nfs/dbraw/zinc/65/05/80/809650580.db2.gz ZIBICCFHFICVAF-LBPRGKRZSA-N 0 1 282.334 2.341 20 10 CECDMN [O-]c1c(C[N@@H+]2CCN3CCCC[C@H]3C2)ccc(F)c1F ZINC000703449148 809650583 /nfs/dbraw/zinc/65/05/83/809650583.db2.gz ZIBICCFHFICVAF-LBPRGKRZSA-N 0 1 282.334 2.341 20 10 CECDMN [O-]c1c(C[N@H+]2CCN3CCCC[C@H]3C2)ccc(F)c1F ZINC000703449148 809650584 /nfs/dbraw/zinc/65/05/84/809650584.db2.gz ZIBICCFHFICVAF-LBPRGKRZSA-N 0 1 282.334 2.341 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCCO1 ZINC000703592377 809667318 /nfs/dbraw/zinc/66/73/18/809667318.db2.gz IDJVZYLKMLCJGU-SECBINFHSA-N 0 1 257.280 2.281 20 10 CECDMN COCCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691418330 811104750 /nfs/dbraw/zinc/10/47/50/811104750.db2.gz ZTBFVRGWGNLVCR-UHFFFAOYSA-N 0 1 274.158 2.281 20 10 CECDMN COCC[N@@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144299525 814020813 /nfs/dbraw/zinc/02/08/13/814020813.db2.gz ZSNXJDPIBBFRNA-UHFFFAOYSA-N 0 1 292.148 2.372 20 10 CECDMN CCN1CC[C@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000712608886 814758121 /nfs/dbraw/zinc/75/81/21/814758121.db2.gz UHEVMKXCQGNHDE-LBPRGKRZSA-N 0 1 299.212 2.339 20 10 CECDMN COC[C@@H]1CN(Cc2c(C)n(C)c3ccccc32)CCO1 ZINC001138257889 815757016 /nfs/dbraw/zinc/75/70/16/815757016.db2.gz BWEIYNBVAXOGOR-AWEZNQCLSA-N 0 1 288.391 2.334 20 10 CECDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)CCF ZINC001139129946 815965444 /nfs/dbraw/zinc/96/54/44/815965444.db2.gz LGPOVTFJOVYZKM-UHFFFAOYSA-N 0 1 265.284 2.208 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001139680886 816079497 /nfs/dbraw/zinc/07/94/97/816079497.db2.gz DHZBKXHTXOYRRH-KCJUWKMLSA-N 0 1 291.244 2.136 20 10 CECDMN C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1c([O-])c(F)ccc1F ZINC001139683835 816081352 /nfs/dbraw/zinc/08/13/52/816081352.db2.gz FHAXTYIESSVQOG-ZJUUUORDSA-N 0 1 271.307 2.263 20 10 CECDMN CC[N@@H+](CCn1ccnc1)Cc1c(F)ccc(F)c1[O-] ZINC001139687312 816083502 /nfs/dbraw/zinc/08/35/02/816083502.db2.gz LGCNVAUJLQLRIM-UHFFFAOYSA-N 0 1 281.306 2.389 20 10 CECDMN CC(C)[C@H]1COCCN1Cc1cc(F)ccc1O ZINC001140058940 816181237 /nfs/dbraw/zinc/18/12/37/816181237.db2.gz PZRMTOUSIKZVSZ-CYBMUJFWSA-N 0 1 253.317 2.388 20 10 CECDMN CC(=O)N1CCC[C@@H]([N@H+](C)Cc2c([O-])cccc2Cl)C1 ZINC001140341918 816238835 /nfs/dbraw/zinc/23/88/35/816238835.db2.gz KYELBGYVKWHOJR-GFCCVEGCSA-N 0 1 296.798 2.488 20 10 CECDMN CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2c([O-])cccc2Cl)C1 ZINC001140341918 816238841 /nfs/dbraw/zinc/23/88/41/816238841.db2.gz KYELBGYVKWHOJR-GFCCVEGCSA-N 0 1 296.798 2.488 20 10 CECDMN O=C1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]2CCCN12 ZINC001140468226 816261864 /nfs/dbraw/zinc/26/18/64/816261864.db2.gz AOQRKNVDSKXEQU-ZDUSSCGKSA-N 0 1 294.782 2.242 20 10 CECDMN O=C1CC[N@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]2CCCN12 ZINC001140468226 816261870 /nfs/dbraw/zinc/26/18/70/816261870.db2.gz AOQRKNVDSKXEQU-ZDUSSCGKSA-N 0 1 294.782 2.242 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@]12CCOC2 ZINC001140585531 816294326 /nfs/dbraw/zinc/29/43/26/816294326.db2.gz MNRDPNUZOOAPFM-CYBMUJFWSA-N 0 1 255.264 2.035 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@]12CCOC2 ZINC001140585531 816294329 /nfs/dbraw/zinc/29/43/29/816294329.db2.gz MNRDPNUZOOAPFM-CYBMUJFWSA-N 0 1 255.264 2.035 20 10 CECDMN CC[N@H+]1CCN(Cc2c([O-])cc(F)cc2F)C[C@H]1C ZINC001140585134 816294924 /nfs/dbraw/zinc/29/49/24/816294924.db2.gz ULFSASBTBUPPEO-SNVBAGLBSA-N 0 1 270.323 2.196 20 10 CECDMN CCN(CC)c1ccc(CN(C)C2COC2)c(O)c1 ZINC001140855396 816382246 /nfs/dbraw/zinc/38/22/46/816382246.db2.gz XPKRKXYZCKKFSY-UHFFFAOYSA-N 0 1 264.369 2.069 20 10 CECDMN C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142508671 816676685 /nfs/dbraw/zinc/67/66/85/816676685.db2.gz HEWHSVWSJYKLMN-ZJUUUORDSA-N 0 1 271.307 2.263 20 10 CECDMN C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])CCC[C@@H]1O ZINC001142508648 816676741 /nfs/dbraw/zinc/67/67/41/816676741.db2.gz GOCNEPUKOOYTMJ-ZANVPECISA-N 0 1 271.307 2.263 20 10 CECDMN CN(C)c1ccc(CNc2ncnc3[nH]cnc32)cc1 ZINC000047509639 362211172 /nfs/dbraw/zinc/21/11/72/362211172.db2.gz KFQPKUVZMFTTFQ-UHFFFAOYSA-N 0 1 268.324 2.031 20 10 CECDMN CCN(CC)c1ccc(CNCCS(=O)(=O)CC)cc1 ZINC000069173282 362955864 /nfs/dbraw/zinc/95/58/64/362955864.db2.gz CKPGWBRWHJREBQ-UHFFFAOYSA-N 0 1 298.452 2.057 20 10 CECDMN CC(C)[N@@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133008152 366187258 /nfs/dbraw/zinc/18/72/58/366187258.db2.gz GOZBUEJOLKXWGI-UHFFFAOYSA-N 0 1 291.178 2.395 20 10 CECDMN COc1cccc(CN2CCOCC23CCC3)c1O ZINC000093510360 364195529 /nfs/dbraw/zinc/19/55/29/364195529.db2.gz UYKCTLGYIYIGII-UHFFFAOYSA-N 0 1 263.337 2.156 20 10 CECDMN COC(=O)c1coc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000111235544 364724500 /nfs/dbraw/zinc/72/45/00/364724500.db2.gz NVDWOVLRACBMQX-UHFFFAOYSA-N 0 1 275.304 2.404 20 10 CECDMN CC[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000171937406 367642641 /nfs/dbraw/zinc/64/26/41/367642641.db2.gz YDLASLMHDCAUCL-VXGBXAGGSA-N 0 1 264.369 2.127 20 10 CECDMN CCOC(=O)N[C@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000179933124 368358167 /nfs/dbraw/zinc/35/81/67/368358167.db2.gz IQJHFZRCZAXGEH-ZDUSSCGKSA-N 0 1 296.342 2.242 20 10 CECDMN C[C@H](NCc1nnc(C2CC2)[nH]1)c1ccccc1O ZINC000273213411 373749794 /nfs/dbraw/zinc/74/97/94/373749794.db2.gz GYYHMVOMIZCHPH-VIFPVBQESA-N 0 1 258.325 2.239 20 10 CECDMN COc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000375301230 374651402 /nfs/dbraw/zinc/65/14/02/374651402.db2.gz FQLAXIANTVNBKJ-INIZCTEOSA-N 0 1 277.364 2.403 20 10 CECDMN COCCCn1nccc1CN(C)Cc1ccccc1O ZINC000282852337 375596262 /nfs/dbraw/zinc/59/62/62/375596262.db2.gz SWEGJHBVJQFTOS-UHFFFAOYSA-N 0 1 289.379 2.257 20 10 CECDMN C[N@@H+](CCC(N)=O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289236753 376389306 /nfs/dbraw/zinc/38/93/06/376389306.db2.gz DJBCRMHBPNHQFE-UHFFFAOYSA-N 0 1 277.151 2.006 20 10 CECDMN CC[C@@H](CO)[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000295137028 378044869 /nfs/dbraw/zinc/04/48/69/378044869.db2.gz PHDKBPUSRPAZCP-NSHDSACASA-N 0 1 273.760 2.257 20 10 CECDMN Oc1cccc(Cl)c1CNCc1n[nH]c(C2CC2)n1 ZINC000294807166 378021543 /nfs/dbraw/zinc/02/15/43/378021543.db2.gz NLYDJNALDVZHPN-UHFFFAOYSA-N 0 1 278.743 2.331 20 10 CECDMN C[C@@H](O)CC[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295382811 378130439 /nfs/dbraw/zinc/13/04/39/378130439.db2.gz PEXILEOZNRVIIK-MRVPVSSYSA-N 0 1 261.724 2.387 20 10 CECDMN Cc1cc(N(C)C)ccc1CNc1ncnc2[nH]cnc21 ZINC000301308991 394459096 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CC[C@H](c1ccccc1O)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000134135446 334081529 /nfs/dbraw/zinc/08/15/29/334081529.db2.gz QIBWTWMWYHNSLH-GOEBONIOSA-N 0 1 290.407 2.250 20 10 CECDMN C[C@]1(O)CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000129512515 525305230 /nfs/dbraw/zinc/30/52/30/525305230.db2.gz DOOKUZHWFPTHHK-ZDUSSCGKSA-N 0 1 255.745 2.392 20 10 CECDMN C[C@]1(O)CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000129512515 525305239 /nfs/dbraw/zinc/30/52/39/525305239.db2.gz DOOKUZHWFPTHHK-ZDUSSCGKSA-N 0 1 255.745 2.392 20 10 CECDMN Cc1cc(O)c(CN2CC[C@H](C)[S@@](=O)CC2)cc1C ZINC000277808541 525320212 /nfs/dbraw/zinc/32/02/12/525320212.db2.gz YBHUHZBFPKGCLP-DJJJIMSYSA-N 0 1 281.421 2.352 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CCOCC(F)F ZINC000231677218 526363119 /nfs/dbraw/zinc/36/31/19/526363119.db2.gz OUVRYQBCCZRQSC-UHFFFAOYSA-N 0 1 265.687 2.417 20 10 CECDMN O=C1CN(Cc2cccc(Cl)c2O)CN1CC1CC1 ZINC000279530160 527003416 /nfs/dbraw/zinc/00/34/16/527003416.db2.gz ZIDTYVZVLNZPSM-UHFFFAOYSA-N 0 1 280.755 2.057 20 10 CECDMN 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BURCVOMTLJZYAQ-UHFFFAOYSA-N 0 1 295.364 2.348 20 10 CECDMN CCCN(Cc1ccccc1O)C(=O)CCc1cnc[nH]1 ZINC000189312498 625110537 /nfs/dbraw/zinc/11/05/37/625110537.db2.gz XQZLLUWKTXLNAR-UHFFFAOYSA-N 0 1 287.363 2.487 20 10 CECDMN COc1ccc(CNCc2c(C)noc2C)c(O)c1OC ZINC000892675118 627392342 /nfs/dbraw/zinc/39/23/42/627392342.db2.gz VCMAKIPZHHARKT-UHFFFAOYSA-N 0 1 292.335 2.304 20 10 CECDMN Cc1nn(C)cc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000168693571 627686139 /nfs/dbraw/zinc/68/61/39/627686139.db2.gz ZXSWKVCHUJEFHB-UHFFFAOYSA-N 0 1 265.744 2.377 20 10 CECDMN CC(C)(O)CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000309446933 628125928 /nfs/dbraw/zinc/12/59/28/628125928.db2.gz PGHNFNTVGYAJLO-UHFFFAOYSA-N 0 1 288.185 2.405 20 10 CECDMN COc1ccc(O)c([C@@H](C)NCc2csc(N)n2)c1 ZINC000902500427 634692667 /nfs/dbraw/zinc/69/26/67/634692667.db2.gz VJEMTXONCFMDMV-MRVPVSSYSA-N 0 1 279.365 2.290 20 10 CECDMN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000893864798 629020996 /nfs/dbraw/zinc/02/09/96/629020996.db2.gz DKZFWCGWCIGGTJ-NSHDSACASA-N 0 1 298.333 2.019 20 10 CECDMN CC[C@@H]([NH2+][C@@H](CO)COC)c1cc(Cl)ccc1[O-] ZINC000794839121 629331791 /nfs/dbraw/zinc/33/17/91/629331791.db2.gz YVDCSWMHJJYMBG-CMPLNLGQSA-N 0 1 273.760 2.094 20 10 CECDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCCCC[C@H]1CO ZINC000895151615 629967972 /nfs/dbraw/zinc/96/79/72/629967972.db2.gz VBSUSSXRAVILKX-LBPRGKRZSA-N 0 1 271.307 2.407 20 10 CECDMN C[N@H+]1CC[C@@H]2CN(Cc3cc(F)cc(F)c3[O-])CC[C@H]21 ZINC000895459943 630201863 /nfs/dbraw/zinc/20/18/63/630201863.db2.gz CJIRFZQWCJGXKR-QMTHXVAHSA-N 0 1 282.334 2.196 20 10 CECDMN CC1(C)C[C@H](O)C[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895460658 630203289 /nfs/dbraw/zinc/20/32/89/630203289.db2.gz QLRNHDVXEUOTTB-NSHDSACASA-N 0 1 271.307 2.263 20 10 CECDMN [O-]c1c(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)ccc2ccccc21 ZINC000896858691 630694501 /nfs/dbraw/zinc/69/45/01/630694501.db2.gz LOSPNTVOSQPMGJ-VYDXJSESSA-N 0 1 299.370 2.439 20 10 CECDMN CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000896963236 630846438 /nfs/dbraw/zinc/84/64/38/630846438.db2.gz XFCZFAYKZIJNJT-SNVBAGLBSA-N 0 1 283.755 2.431 20 10 CECDMN CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000896963236 630846443 /nfs/dbraw/zinc/84/64/43/630846443.db2.gz XFCZFAYKZIJNJT-SNVBAGLBSA-N 0 1 283.755 2.431 20 10 CECDMN CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000896963236 630846447 /nfs/dbraw/zinc/84/64/47/630846447.db2.gz XFCZFAYKZIJNJT-SNVBAGLBSA-N 0 1 283.755 2.431 20 10 CECDMN C[C@@H](C(=O)[O-])[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000840995701 631314185 /nfs/dbraw/zinc/31/41/85/631314185.db2.gz LHJIIKVXUKVXFU-FYJFLYSWSA-N 0 1 262.353 2.171 20 10 CECDMN CC(=O)C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000808014264 631908053 /nfs/dbraw/zinc/90/80/53/631908053.db2.gz HCJNJVGZQVWHHE-UHFFFAOYSA-N 0 1 275.333 2.030 20 10 CECDMN CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809768253 632143724 /nfs/dbraw/zinc/14/37/24/632143724.db2.gz GJGVYTODHPIWAS-CYBMUJFWSA-N 0 1 287.787 2.263 20 10 CECDMN CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809768253 632143729 /nfs/dbraw/zinc/14/37/29/632143729.db2.gz GJGVYTODHPIWAS-CYBMUJFWSA-N 0 1 287.787 2.263 20 10 CECDMN CCN1C[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1=O ZINC000826064439 635754739 /nfs/dbraw/zinc/75/47/39/635754739.db2.gz KEADXWUGBGTTBJ-NSHDSACASA-N 0 1 282.771 2.064 20 10 CECDMN Cc1cc(CN2CCC3(C2)OCCO3)ccc1N(C)C ZINC000815068830 632953997 /nfs/dbraw/zinc/95/39/97/632953997.db2.gz FJGMEPOXFJCCIL-UHFFFAOYSA-N 0 1 276.380 2.010 20 10 CECDMN CCN(C)c1ccc(CN2CC[C@](F)(CO)C2)cc1 ZINC000815111454 632961575 /nfs/dbraw/zinc/96/15/75/632961575.db2.gz LYGCXNHUCZPHBB-OAHLLOKOSA-N 0 1 266.360 2.049 20 10 CECDMN COCC[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549860 633411514 /nfs/dbraw/zinc/41/15/14/633411514.db2.gz ALIFXXCIGVTCPX-QGZVFWFLSA-N 0 1 289.375 2.423 20 10 CECDMN C[S@](=O)CCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816552806 633411808 /nfs/dbraw/zinc/41/18/08/633411808.db2.gz XQWLMBSAXWDLQD-IBGZPJMESA-N 0 1 277.389 2.404 20 10 CECDMN Cc1cccc(CN2CCc3sc(CN)nc3C2)c1O ZINC000903941968 635374098 /nfs/dbraw/zinc/37/40/98/635374098.db2.gz IHNZOLAYCCTFQK-UHFFFAOYSA-N 0 1 289.404 2.174 20 10 CECDMN CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824796476 635499702 /nfs/dbraw/zinc/49/97/02/635499702.db2.gz ILRVJDGRWQWZHW-NSHDSACASA-N 0 1 296.798 2.312 20 10 CECDMN CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824796476 635499707 /nfs/dbraw/zinc/49/97/07/635499707.db2.gz ILRVJDGRWQWZHW-NSHDSACASA-N 0 1 296.798 2.312 20 10 CECDMN CCN1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CC1=O ZINC000824893536 635519200 /nfs/dbraw/zinc/51/92/00/635519200.db2.gz UYPIPGOCUXJZOO-CQSZACIVSA-N 0 1 284.359 2.256 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCn2ccnc2)cc1Cl ZINC000825058785 635554398 /nfs/dbraw/zinc/55/43/98/635554398.db2.gz MCIKNCFCCWVVBU-UHFFFAOYSA-N 0 1 265.744 2.340 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000825297380 635607839 /nfs/dbraw/zinc/60/78/39/635607839.db2.gz DDMDXVOBUWJONJ-PWSUYJOCSA-N 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CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000295210065 378053313 /nfs/dbraw/zinc/05/33/13/378053313.db2.gz ZZFSUIKCCKPVAF-SNVBAGLBSA-N 0 1 298.770 2.318 20 10 CECDMN CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000295210065 378053317 /nfs/dbraw/zinc/05/33/17/378053317.db2.gz ZZFSUIKCCKPVAF-SNVBAGLBSA-N 0 1 298.770 2.318 20 10 CECDMN CN(C)C(=O)O[C@@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000295210065 378053325 /nfs/dbraw/zinc/05/33/25/378053325.db2.gz ZZFSUIKCCKPVAF-SNVBAGLBSA-N 0 1 298.770 2.318 20 10 CECDMN CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295918704 378355971 /nfs/dbraw/zinc/35/59/71/378355971.db2.gz FDSIJKKRUBAVLE-SNVBAGLBSA-N 0 1 298.358 2.087 20 10 CECDMN CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295918704 378355974 /nfs/dbraw/zinc/35/59/74/378355974.db2.gz FDSIJKKRUBAVLE-SNVBAGLBSA-N 0 1 298.358 2.087 20 10 CECDMN CC[C@@H]([NH2+]C[C@H]1COCCN1)c1cc(Cl)ccc1[O-] ZINC000530223917 380197293 /nfs/dbraw/zinc/19/72/93/380197293.db2.gz IXPUBWKDZYKBMV-WCQYABFASA-N 0 1 284.787 2.075 20 10 CECDMN C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+](C)Cc1ccccc1O ZINC000109771878 394735016 /nfs/dbraw/zinc/73/50/16/394735016.db2.gz HGEYRKZSIBIZQE-AWEZNQCLSA-N 0 1 290.407 2.471 20 10 CECDMN C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)Cc1ccccc1O ZINC000109773127 394735533 /nfs/dbraw/zinc/73/55/33/394735533.db2.gz MZMRHMGUGQNXOZ-JTQLQIEISA-N 0 1 291.376 2.308 20 10 CECDMN COc1ccc(O)c(CN2C[C@H](C)OC[C@H]2C)c1 ZINC000132188970 394926094 /nfs/dbraw/zinc/92/60/94/394926094.db2.gz FASLEKXTSXJBQP-MNOVXSKESA-N 0 1 251.326 2.010 20 10 CECDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000373739230 395065273 /nfs/dbraw/zinc/06/52/73/395065273.db2.gz VOHJHMFYEHLAQR-IUPBHXKESA-N 0 1 294.782 2.131 20 10 CECDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000373739230 395065278 /nfs/dbraw/zinc/06/52/78/395065278.db2.gz VOHJHMFYEHLAQR-IUPBHXKESA-N 0 1 294.782 2.131 20 10 CECDMN Cc1ccc(O)c(CN2CCOC[C@H]2[C@@H]2CCCC2=O)c1 ZINC000372756984 395046023 /nfs/dbraw/zinc/04/60/23/395046023.db2.gz ICHRQMRYFAFHJI-GJZGRUSLSA-N 0 1 289.375 2.271 20 10 CECDMN COC[C@@H]1CCN1Cc1cc(Cl)cc(OC)c1O ZINC000293673621 395246872 /nfs/dbraw/zinc/24/68/72/395246872.db2.gz PAODTGVDFXEDGN-NSHDSACASA-N 0 1 271.744 2.275 20 10 CECDMN COc1ccc(O)c([C@H](C)NCc2ccnc(C)n2)c1 ZINC000038037357 174037386 /nfs/dbraw/zinc/03/73/86/174037386.db2.gz KKCZVCAHAYIZLU-JTQLQIEISA-N 0 1 273.336 2.350 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H]2CCOC2)c1[O-] ZINC000079498187 260175509 /nfs/dbraw/zinc/17/55/09/260175509.db2.gz DFGMJIDHWSBKDL-LLVKDONJSA-N 0 1 281.327 2.202 20 10 CECDMN CS[C@@H](CO)[C@@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000152451314 261064395 /nfs/dbraw/zinc/06/43/95/261064395.db2.gz CIAMCBCNGCWLQU-PELKAZGASA-N 0 1 275.801 2.248 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1[O-] ZINC000377265695 268062001 /nfs/dbraw/zinc/06/20/01/268062001.db2.gz HFIPOSXRBHPXME-MRXNPFEDSA-N 0 1 293.338 2.081 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@](O)(C3CC3)C2)c1[O-] ZINC000377265695 268062002 /nfs/dbraw/zinc/06/20/02/268062002.db2.gz HFIPOSXRBHPXME-MRXNPFEDSA-N 0 1 293.338 2.081 20 10 CECDMN CC[C@H]1CO[C@H](C)CN1Cc1cc(OC)ccc1O ZINC000131498791 281220525 /nfs/dbraw/zinc/22/05/25/281220525.db2.gz QLQJGZPPLXZEMO-YPMHNXCESA-N 0 1 265.353 2.400 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2CCO)c1[O-] ZINC000050132855 518282754 /nfs/dbraw/zinc/28/27/54/518282754.db2.gz LTYRZVRHTCEYEZ-AWEZNQCLSA-N 0 1 295.354 2.471 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2CCO)c1[O-] ZINC000050132855 518282765 /nfs/dbraw/zinc/28/27/65/518282765.db2.gz LTYRZVRHTCEYEZ-AWEZNQCLSA-N 0 1 295.354 2.471 20 10 CECDMN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CCO)c1O ZINC000050132855 518282767 /nfs/dbraw/zinc/28/27/67/518282767.db2.gz LTYRZVRHTCEYEZ-AWEZNQCLSA-N 0 1 295.354 2.471 20 10 CECDMN CCN(Cc1n[nH]c(C)n1)c1ccc(OC)c(OC)c1 ZINC000292398825 521449276 /nfs/dbraw/zinc/44/92/76/521449276.db2.gz JDYDBKUEWAFOIF-UHFFFAOYSA-N 0 1 276.340 2.157 20 10 CECDMN COc1c([O-])c(C[N@@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278281688 521872202 /nfs/dbraw/zinc/87/22/02/521872202.db2.gz TURMDSGFULAOSI-SECBINFHSA-N 0 1 266.297 2.293 20 10 CECDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278281688 521872210 /nfs/dbraw/zinc/87/22/10/521872210.db2.gz TURMDSGFULAOSI-SECBINFHSA-N 0 1 266.297 2.293 20 10 CECDMN COCCO[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000276085363 524036927 /nfs/dbraw/zinc/03/69/27/524036927.db2.gz XJZVMUMVPOMCMQ-NSHDSACASA-N 0 1 285.771 2.283 20 10 CECDMN COCCO[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000276085363 524036928 /nfs/dbraw/zinc/03/69/28/524036928.db2.gz XJZVMUMVPOMCMQ-NSHDSACASA-N 0 1 285.771 2.283 20 10 CECDMN COc1ccc(O)c([C@H](C)NCc2snnc2C)c1 ZINC000293839086 524772563 /nfs/dbraw/zinc/77/25/63/524772563.db2.gz WUQGVFSODGFMDK-QMMMGPOBSA-N 0 1 279.365 2.412 20 10 CECDMN COc1cccc(CNCc2nccs2)c1O ZINC000041011732 526027062 /nfs/dbraw/zinc/02/70/62/526027062.db2.gz QVMWKNATCXCVPW-UHFFFAOYSA-N 0 1 250.323 2.147 20 10 CECDMN Cn1cncc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000289577891 527509567 /nfs/dbraw/zinc/50/95/67/527509567.db2.gz JUZCNNNYWHOSQT-UHFFFAOYSA-N 0 1 296.168 2.178 20 10 CECDMN Cc1cc(O)c(C[N@@H+]2CC[C@H](CN(C)C(=O)[O-])C2)cc1C ZINC000740089855 574941659 /nfs/dbraw/zinc/94/16/59/574941659.db2.gz ZNOJWMWIHPRZAV-CYBMUJFWSA-N 0 1 292.379 2.441 20 10 CECDMN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)N(C)C)cc1 ZINC000750601209 575270507 /nfs/dbraw/zinc/27/05/07/575270507.db2.gz OTXLAPFZLIRVDI-AWEZNQCLSA-N 0 1 291.439 2.441 20 10 CECDMN O=S(=O)(NCc1ccccc1O)c1c(F)cccc1F ZINC000751150471 575283440 /nfs/dbraw/zinc/28/34/40/575283440.db2.gz GFMKKTKFRVOUPZ-UHFFFAOYSA-N 0 1 299.298 2.149 20 10 CECDMN Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)C(=O)[O-])c1 ZINC000820949347 597708076 /nfs/dbraw/zinc/70/80/76/597708076.db2.gz RDSHTTPVSGWHEM-ZETCQYMHSA-N 0 1 288.141 2.026 20 10 CECDMN CN(C)c1ccc(CNc2cc(C(=O)[O-])cc[nH+]2)cc1 ZINC000820547721 598218815 /nfs/dbraw/zinc/21/88/15/598218815.db2.gz CBWLUVWIVOCIDT-UHFFFAOYSA-N 0 1 271.320 2.458 20 10 CECDMN Cc1cc(O)c(C[N@H+](C)[C@@H]2CCN(C(=O)[O-])C2)cc1C ZINC000830122918 603596358 /nfs/dbraw/zinc/59/63/58/603596358.db2.gz QBDWPNOOPQUMRZ-CYBMUJFWSA-N 0 1 278.352 2.193 20 10 CECDMN CCOc1ccc(O)c(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000833662949 604678345 /nfs/dbraw/zinc/67/83/45/604678345.db2.gz OEOBNNOCYFVKTO-HNNXBMFYSA-N 0 1 279.336 2.088 20 10 CECDMN Cc1cc(O)c(C[N@H+](C)[C@H](COC(C)C)C(=O)[O-])cc1C ZINC000833746492 604769333 /nfs/dbraw/zinc/76/93/33/604769333.db2.gz ATXIMHANERRRQY-CQSZACIVSA-N 0 1 295.379 2.319 20 10 CECDMN C[NH+](C)CCCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760722 622932724 /nfs/dbraw/zinc/93/27/24/622932724.db2.gz XRNBKAWRXMTTRP-UHFFFAOYSA-N 0 1 284.787 2.394 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H](C[NH3+])C2)c1[O-] ZINC000050250128 623374907 /nfs/dbraw/zinc/37/49/07/623374907.db2.gz WREXTMSOIZHJIA-SNVBAGLBSA-N 0 1 282.771 2.029 20 10 CECDMN CC(C)CNC(=[NH2+])NCc1cc(Cl)ccc1[O-] ZINC000849048100 624735262 /nfs/dbraw/zinc/73/52/62/624735262.db2.gz CATGKFOLOIHELH-UHFFFAOYSA-N 0 1 255.749 2.316 20 10 CECDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000893995354 629075830 /nfs/dbraw/zinc/07/58/30/629075830.db2.gz VJWHXIKYBZAKFA-SNVBAGLBSA-N 0 1 299.317 2.255 20 10 CECDMN Oc1c(F)cc(F)cc1CN1CCC[C@H]1c1ncon1 ZINC000893986784 629077880 /nfs/dbraw/zinc/07/78/80/629077880.db2.gz CPYAJDBLPWADOT-NSHDSACASA-N 0 1 281.262 2.391 20 10 CECDMN C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1C(=O)[O-] ZINC000311402404 629437446 /nfs/dbraw/zinc/43/74/46/629437446.db2.gz VOGLVGPFZYPHDD-JOYOIKCWSA-N 0 1 267.300 2.074 20 10 CECDMN COc1cccc(CNCc2ccnc(OC)c2F)c1O ZINC000894457898 629471730 /nfs/dbraw/zinc/47/17/30/629471730.db2.gz KTIRTIOSTYNIPS-UHFFFAOYSA-N 0 1 292.310 2.233 20 10 CECDMN Cc1[nH]nc(CN2CCOc3cc(N(C)C)ccc32)c1C ZINC000894468899 629479189 /nfs/dbraw/zinc/47/91/89/629479189.db2.gz AHRAFPAJLACFFS-UHFFFAOYSA-N 0 1 286.379 2.492 20 10 CECDMN Cc1nnc([C@@H](C)NCc2cc(C)c(C)cc2O)[nH]1 ZINC000894772156 629627187 /nfs/dbraw/zinc/62/71/87/629627187.db2.gz GJMSVAQHCRELGO-SNVBAGLBSA-N 0 1 260.341 2.286 20 10 CECDMN C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@]1(C)CO ZINC000895345504 630127256 /nfs/dbraw/zinc/12/72/56/630127256.db2.gz VDRRZYLFNUUWDA-LKFCYVNXSA-N 0 1 271.307 2.121 20 10 CECDMN COc1c([O-])c(C[N@H+]2CCC[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC000895546315 630246163 /nfs/dbraw/zinc/24/61/63/630246163.db2.gz ZJPBEYVOQGKJHG-SNVBAGLBSA-N 0 1 298.314 2.491 20 10 CECDMN CC[N@@H+](CCC(N)=O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000896715155 630648201 /nfs/dbraw/zinc/64/82/01/630648201.db2.gz NSUFRZQRWUHNDU-UHFFFAOYSA-N 0 1 291.178 2.396 20 10 CECDMN C[C@]1(F)CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000840097553 631846821 /nfs/dbraw/zinc/84/68/21/631846821.db2.gz BVJSISQJQVXCLZ-HIFRSBDPSA-N 0 1 281.327 2.142 20 10 CECDMN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C1=CC(=O)CS1 ZINC000807694566 631862377 /nfs/dbraw/zinc/86/23/77/631862377.db2.gz MUTWFBFRGYSXIJ-QWRGUYRKSA-N 0 1 280.393 2.153 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)[C@H](O)C2)cc1Cl ZINC000897680650 631865079 /nfs/dbraw/zinc/86/50/79/631865079.db2.gz UTVIYQJQEWXDMK-NOZJJQNGSA-N 0 1 255.745 2.167 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)cc1Cl ZINC000897680650 631865083 /nfs/dbraw/zinc/86/50/83/631865083.db2.gz UTVIYQJQEWXDMK-NOZJJQNGSA-N 0 1 255.745 2.167 20 10 CECDMN C[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@@H](O)C1CC1 ZINC000809751590 632140942 /nfs/dbraw/zinc/14/09/42/632140942.db2.gz IZAHULCOMIQWFY-GFCCVEGCSA-N 0 1 273.735 2.387 20 10 CECDMN CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816520460 633406799 /nfs/dbraw/zinc/40/67/99/633406799.db2.gz PYMGELPYOUMPCH-LBPRGKRZSA-N 0 1 286.375 2.359 20 10 CECDMN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816520460 633406802 /nfs/dbraw/zinc/40/68/02/633406802.db2.gz PYMGELPYOUMPCH-LBPRGKRZSA-N 0 1 286.375 2.359 20 10 CECDMN NC(=O)C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816613478 633421568 /nfs/dbraw/zinc/42/15/68/633421568.db2.gz VYHCBKIIWQNWCN-GFCCVEGCSA-N 0 1 284.359 2.243 20 10 CECDMN NC(=O)C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816613478 633421573 /nfs/dbraw/zinc/42/15/73/633421573.db2.gz VYHCBKIIWQNWCN-GFCCVEGCSA-N 0 1 284.359 2.243 20 10 CECDMN NC(=O)C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816613478 633421575 /nfs/dbraw/zinc/42/15/75/633421575.db2.gz VYHCBKIIWQNWCN-GFCCVEGCSA-N 0 1 284.359 2.243 20 10 CECDMN C[C@H]([NH2+]C[C@@H]1CCN1C)c1cc(Cl)ccc1[O-] ZINC000903316302 635063495 /nfs/dbraw/zinc/06/34/95/635063495.db2.gz DFDNFRMPFRKSLY-ONGXEEELSA-N 0 1 254.761 2.400 20 10 CECDMN Cc1ccc(O)c(CN2CCCC[C@H]2CS(C)(=O)=O)c1 ZINC000824914670 635524179 /nfs/dbraw/zinc/52/41/79/635524179.db2.gz XASJBHLURRDEQB-AWEZNQCLSA-N 0 1 297.420 2.100 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCc2cnn(C)c2)cc1Cl ZINC000825131311 635575732 /nfs/dbraw/zinc/57/57/32/635575732.db2.gz LSRDKHUNOPBCMM-UHFFFAOYSA-N 0 1 279.771 2.420 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1Cl ZINC000825556657 635663671 /nfs/dbraw/zinc/66/36/71/635663671.db2.gz UDHZZZJGAQPDCR-LBPRGKRZSA-N 0 1 292.770 2.393 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](n3cncn3)C2)cc1Cl ZINC000825556657 635663676 /nfs/dbraw/zinc/66/36/76/635663676.db2.gz UDHZZZJGAQPDCR-LBPRGKRZSA-N 0 1 292.770 2.393 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)CC(F)F)cc1Cl ZINC000825697840 635697103 /nfs/dbraw/zinc/69/71/03/635697103.db2.gz KNEXOCVUPPRURM-SECBINFHSA-N 0 1 279.714 2.460 20 10 CECDMN C[C@@H]1C[NH+](Cc2cc(Cl)ccc2[O-])C[C@@H](C)C1O ZINC000827151450 636237285 /nfs/dbraw/zinc/23/72/85/636237285.db2.gz BIHPKJJCPPCDJN-NXEZZACHSA-N 0 1 269.772 2.494 20 10 CECDMN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151773 636238126 /nfs/dbraw/zinc/23/81/26/636238126.db2.gz JKSZLDYUIHPXHS-OAHLLOKOSA-N 0 1 265.328 2.268 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@H](C)[C@H]1O ZINC000827151726 636238301 /nfs/dbraw/zinc/23/83/01/636238301.db2.gz IPKNKHKWGQAMSS-MSRIBSCDSA-N 0 1 269.772 2.494 20 10 CECDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)C[C@H](C)[C@H]1O ZINC000827151726 636238306 /nfs/dbraw/zinc/23/83/06/636238306.db2.gz IPKNKHKWGQAMSS-MSRIBSCDSA-N 0 1 269.772 2.494 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@]1(C)CO ZINC000827699848 636397445 /nfs/dbraw/zinc/39/74/45/636397445.db2.gz MYSLQCFPNLNUAT-QMTHXVAHSA-N 0 1 269.772 2.496 20 10 CECDMN Oc1c(CN2CCc3n[nH]nc3C2)ccc2ccccc21 ZINC000827877586 636449800 /nfs/dbraw/zinc/44/98/00/636449800.db2.gz QDHSHUMPGGUOMK-UHFFFAOYSA-N 0 1 280.331 2.222 20 10 CECDMN COc1ccc2c(c1)CCN2CC(C)(C)N1CCOCC1 ZINC000876513856 650297752 /nfs/dbraw/zinc/29/77/52/650297752.db2.gz JPWUNOWBHPMRJJ-UHFFFAOYSA-N 0 1 290.407 2.169 20 10 CECDMN [O-]c1c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)ccc(F)c1F ZINC000876678719 650395982 /nfs/dbraw/zinc/39/59/82/650395982.db2.gz PIQVTKXCTVENDM-LLVKDONJSA-N 0 1 299.317 2.255 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CC2(C(N)=O)CCCC2)c(Cl)c1 ZINC000840898700 639576516 /nfs/dbraw/zinc/57/65/16/639576516.db2.gz QWSOIUPWEXVQAB-UHFFFAOYSA-N 0 1 296.798 2.489 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H](C)[C@H](C)CO)c(Cl)c1 ZINC000840898910 639576897 /nfs/dbraw/zinc/57/68/97/639576897.db2.gz HLAYALUWAKGMEO-ZJUUUORDSA-N 0 1 257.761 2.461 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)C2)c(Cl)c1 ZINC000840908957 639581006 /nfs/dbraw/zinc/58/10/06/639581006.db2.gz ZJLAZSKJYTUOJC-SNVBAGLBSA-N 0 1 255.745 2.311 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](O)C2)c(Cl)c1 ZINC000840908957 639581012 /nfs/dbraw/zinc/58/10/12/639581012.db2.gz ZJLAZSKJYTUOJC-SNVBAGLBSA-N 0 1 255.745 2.311 20 10 CECDMN Cc1cc([O-])c(C[NH+]2CCC(C(N)=O)CC2)c(Cl)c1 ZINC000840908017 639581485 /nfs/dbraw/zinc/58/14/85/639581485.db2.gz MPTKEGJJJHQNHP-UHFFFAOYSA-N 0 1 282.771 2.051 20 10 CECDMN CN1CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227440376 639590408 /nfs/dbraw/zinc/59/04/08/639590408.db2.gz IZJBHNMCOACHHM-LBPRGKRZSA-N 0 1 299.212 2.339 20 10 CECDMN Cc1cc([O-])c(C[N@@H+](C)C2CC(O)C2)c(Cl)c1 ZINC000840939387 639593832 /nfs/dbraw/zinc/59/38/32/639593832.db2.gz 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/nfs/dbraw/zinc/85/76/58/811857658.db2.gz CAQWVVBXIFRHGS-GFCCVEGCSA-N 0 1 288.185 2.261 20 10 CECDMN CC(C)(CO)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691452069 811857825 /nfs/dbraw/zinc/85/78/25/811857825.db2.gz CCEAKMJPSQPOEC-UHFFFAOYSA-N 0 1 288.185 2.263 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC001139684098 814748010 /nfs/dbraw/zinc/74/80/10/814748010.db2.gz QOEURAUECRMAGZ-JTQLQIEISA-N 0 1 271.307 2.265 20 10 CECDMN O=c1[nH]ccc2c1CC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001137840270 815695662 /nfs/dbraw/zinc/69/56/62/815695662.db2.gz VCGKYOOGBTZYMI-UHFFFAOYSA-N 0 1 274.295 2.190 20 10 CECDMN Cc1cc(CN2CC(C(N)=O)C2)c(C)n1-c1ccccc1 ZINC001137857426 815698847 /nfs/dbraw/zinc/69/88/47/815698847.db2.gz HCPASCHDIBBABP-UHFFFAOYSA-N 0 1 283.375 2.011 20 10 CECDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H](F)C1 ZINC001139127411 815965374 /nfs/dbraw/zinc/96/53/74/815965374.db2.gz VWYTZOUVJADLEC-SNVBAGLBSA-N 0 1 277.295 2.351 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC001139681817 816080616 /nfs/dbraw/zinc/08/06/16/816080616.db2.gz ZLUKQMCAHHUGQC-AWEZNQCLSA-N 0 1 269.291 2.283 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2c([O-])c(F)ccc2F)CC[C@]1(C)O ZINC001139684677 816081650 /nfs/dbraw/zinc/08/16/50/816081650.db2.gz KKRDOXZTPVOUIR-OTYXRUKQSA-N 0 1 271.307 2.263 20 10 CECDMN C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC001140337948 816236307 /nfs/dbraw/zinc/23/63/07/816236307.db2.gz OGOINZAZSRHENE-ZJUUUORDSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1c([O-])cccc1Cl ZINC001140337948 816236312 /nfs/dbraw/zinc/23/63/12/816236312.db2.gz OGOINZAZSRHENE-ZJUUUORDSA-N 0 1 255.745 2.248 20 10 CECDMN COC[C@]12COC[C@H]1C[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140339715 816237892 /nfs/dbraw/zinc/23/78/92/816237892.db2.gz LZDMIYXYXMGJJG-IAQYHMDHSA-N 0 1 297.782 2.140 20 10 CECDMN COC[C@]12COC[C@H]1C[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140339715 816237897 /nfs/dbraw/zinc/23/78/97/816237897.db2.gz LZDMIYXYXMGJJG-IAQYHMDHSA-N 0 1 297.782 2.140 20 10 CECDMN C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]1O ZINC001140463272 816260891 /nfs/dbraw/zinc/26/08/91/816260891.db2.gz YKGGTFFCYJEWRG-RNCFNFMXSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]1O ZINC001140463272 816260897 /nfs/dbraw/zinc/26/08/97/816260897.db2.gz YKGGTFFCYJEWRG-RNCFNFMXSA-N 0 1 255.745 2.248 20 10 CECDMN Cc1c(O)ccc(CN2CCc3cccnc3C2)c1O ZINC001140748187 816341213 /nfs/dbraw/zinc/34/12/13/816341213.db2.gz UFWGRXNKRQSHAL-UHFFFAOYSA-N 0 1 270.332 2.360 20 10 CECDMN COC(=O)[C@H](C(C)C)N(C)Cc1ccc(O)c(C)c1O ZINC001140747469 816341439 /nfs/dbraw/zinc/34/14/39/816341439.db2.gz AUHBFPLHZWKJLB-ZDUSSCGKSA-N 0 1 281.352 2.036 20 10 CECDMN Cc1nccnc1CN1CCc2cccc(O)c2C1 ZINC001140938492 816419674 /nfs/dbraw/zinc/41/96/74/816419674.db2.gz VHKJMJVDQPLCJA-UHFFFAOYSA-N 0 1 255.321 2.049 20 10 CECDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC001142524904 816681061 /nfs/dbraw/zinc/68/10/61/816681061.db2.gz PDDKQXXFKVNVEV-SNVBAGLBSA-N 0 1 271.307 2.265 20 10 CECDMN CN(C)c1ccc(CN2CCN(C3CC3)CC2)cc1F ZINC000127904297 282289547 /nfs/dbraw/zinc/28/95/47/282289547.db2.gz LBJATISKOOMWBC-UHFFFAOYSA-N 0 1 277.387 2.172 20 10 CECDMN C[C@H](CCO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000126696499 260356295 /nfs/dbraw/zinc/35/62/95/260356295.db2.gz GJMNNYUDTVOGQH-MRVPVSSYSA-N 0 1 274.158 2.015 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCOC2)c1O ZINC000135148798 366400545 /nfs/dbraw/zinc/40/05/45/366400545.db2.gz NEQJPNXONGSXJC-GFCCVEGCSA-N 0 1 283.755 2.469 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCOC2)c1[O-] ZINC000135148798 366400559 /nfs/dbraw/zinc/40/05/59/366400559.db2.gz NEQJPNXONGSXJC-GFCCVEGCSA-N 0 1 283.755 2.469 20 10 CECDMN [O-]c1c(F)cccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000160232049 366985442 /nfs/dbraw/zinc/98/54/42/366985442.db2.gz RCHTZWXHCFFSDK-CYBMUJFWSA-N 0 1 264.344 2.201 20 10 CECDMN CN(Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1O ZINC000185033093 368738289 /nfs/dbraw/zinc/73/82/89/368738289.db2.gz UZSZNAQHEMBYHV-UHFFFAOYSA-N 0 1 298.346 2.413 20 10 CECDMN CC(=O)c1cc(F)cc(CN2CCC(C)(CO)CC2)c1O ZINC000186933908 369070994 /nfs/dbraw/zinc/07/09/94/369070994.db2.gz DXFUWWCTXSSKGK-UHFFFAOYSA-N 0 1 295.354 2.328 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH+]2CCC(C)(CO)CC2)c1[O-] ZINC000186933908 369071001 /nfs/dbraw/zinc/07/10/01/369071001.db2.gz DXFUWWCTXSSKGK-UHFFFAOYSA-N 0 1 295.354 2.328 20 10 CECDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C[C@H]1C ZINC000188110273 369298952 /nfs/dbraw/zinc/29/89/52/369298952.db2.gz PROSPMZMKCZJPE-MFKMUULPSA-N 0 1 281.327 2.162 20 10 CECDMN CCC[C@]1(C)C(=O)NCCN1Cc1cc(C)ccc1O ZINC000189038786 369446672 /nfs/dbraw/zinc/44/66/72/369446672.db2.gz KRHHINGUTSQDOQ-MRXNPFEDSA-N 0 1 276.380 2.191 20 10 CECDMN Cn1cc([C@H]2CSCCN2Cc2ccccc2O)cn1 ZINC000191735228 369737625 /nfs/dbraw/zinc/73/76/25/369737625.db2.gz UBRXFEBYCRWTOH-CQSZACIVSA-N 0 1 289.404 2.416 20 10 CECDMN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(F)ccc1O ZINC000248835407 371252698 /nfs/dbraw/zinc/25/26/98/371252698.db2.gz MHPRNXJMKIWPBL-XEGUGMAKSA-N 0 1 293.338 2.305 20 10 CECDMN COc1cccc(CNCc2ncc(Cl)n2C)c1O ZINC000263773282 371948996 /nfs/dbraw/zinc/94/89/96/371948996.db2.gz DBTJLGTYJLSPEP-UHFFFAOYSA-N 0 1 281.743 2.078 20 10 CECDMN CC(C)N(Cc1cnnn1C)Cc1ccc(N(C)C)cc1 ZINC000271052695 373092427 /nfs/dbraw/zinc/09/24/27/373092427.db2.gz BBUDYDFYKCCYAS-UHFFFAOYSA-N 0 1 287.411 2.292 20 10 CECDMN CC[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1O ZINC000271412538 373188996 /nfs/dbraw/zinc/18/89/96/373188996.db2.gz XXQROTWGFYMGEH-TVQRCGJNSA-N 0 1 255.745 2.248 20 10 CECDMN CC[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1O ZINC000271412538 373189004 /nfs/dbraw/zinc/18/90/04/373189004.db2.gz XXQROTWGFYMGEH-TVQRCGJNSA-N 0 1 255.745 2.248 20 10 CECDMN [O-]c1c(F)cccc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000272240429 373377854 /nfs/dbraw/zinc/37/78/54/373377854.db2.gz GJELODGCTPPVCC-LLVKDONJSA-N 0 1 279.233 2.030 20 10 CECDMN Cc1cccc(CN2CCOC[C@H]2[C@@H]2CCCC2=O)c1O ZINC000375472593 374659584 /nfs/dbraw/zinc/65/95/84/374659584.db2.gz WZIBSEGEINBOLY-GJZGRUSLSA-N 0 1 289.375 2.271 20 10 CECDMN CC(C)[C@@H](NCc1cc(F)ccc1O)c1nncn1C ZINC000289316139 376390880 /nfs/dbraw/zinc/39/08/80/376390880.db2.gz FFCNUVNSBKVHII-CYBMUJFWSA-N 0 1 278.331 2.147 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+](C)CC(C)(C)CO)c1[O-] ZINC000295206500 378050703 /nfs/dbraw/zinc/05/07/03/378050703.db2.gz LOHSWZGCWNFMEU-UHFFFAOYSA-N 0 1 283.343 2.184 20 10 CECDMN CC[C@@H]([NH2+]C[C@@H]1COCCN1)c1cc(Cl)ccc1[O-] ZINC000530223915 380197519 /nfs/dbraw/zinc/19/75/19/380197519.db2.gz IXPUBWKDZYKBMV-DGCLKSJQSA-N 0 1 284.787 2.075 20 10 CECDMN CCN(Cc1cc(Cl)cc(C)c1O)[C@@H]1CCNC1=O ZINC000281844074 394861246 /nfs/dbraw/zinc/86/12/46/394861246.db2.gz TXRRRDHIPZYTDA-GFCCVEGCSA-N 0 1 282.771 2.064 20 10 CECDMN COCC[NH+]1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296224413 395312869 /nfs/dbraw/zinc/31/28/69/395312869.db2.gz ZYDBFXKJJGOWGL-HNNXBMFYSA-N 0 1 290.407 2.080 20 10 CECDMN C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(O)c1O ZINC000126208859 260346618 /nfs/dbraw/zinc/34/66/18/260346618.db2.gz CCBAXFVCWISDJD-GFCCVEGCSA-N 0 1 292.379 2.092 20 10 CECDMN CC[C@@H](c1ccccc1O)N1CCOC[C@]12CCOC2 ZINC000370736812 267343049 /nfs/dbraw/zinc/34/30/49/267343049.db2.gz HCJLVHMEJJYBNH-GOEBONIOSA-N 0 1 277.364 2.335 20 10 CECDMN CC(C)C(=O)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000271860431 328198324 /nfs/dbraw/zinc/19/83/24/328198324.db2.gz YQIPCDYBXPINEC-UHFFFAOYSA-N 0 1 296.798 2.346 20 10 CECDMN C[C@@H]([NH2+]C[C@H]1COCCN1)c1ccc2ccccc2c1[O-] ZINC000530221800 333528655 /nfs/dbraw/zinc/52/86/55/333528655.db2.gz DJTSRTULJGBMSG-OCCSQVGLSA-N 0 1 286.375 2.184 20 10 CECDMN C[C@@H](NCc1ccc2c(c1)CCO2)C(=O)NC(C)(C)C ZINC000067502448 518178231 /nfs/dbraw/zinc/17/82/31/518178231.db2.gz RGUFTYXLPPPZIH-LLVKDONJSA-N 0 1 276.380 2.014 20 10 CECDMN COc1c([O-])c(C[N@@H+](C)CC2CC2)ccc1[N+](=O)[O-] ZINC000278245013 521864753 /nfs/dbraw/zinc/86/47/53/521864753.db2.gz OKRGKKLZHRDNMZ-UHFFFAOYSA-N 0 1 266.297 2.151 20 10 CECDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@H]1CC[C@H](O)CC1 ZINC000275916917 523315091 /nfs/dbraw/zinc/31/50/91/523315091.db2.gz GADAKOXWJGJHLV-HAQNSBGRSA-N 0 1 253.317 2.267 20 10 CECDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C[C@@H]1C ZINC000276517629 523719074 /nfs/dbraw/zinc/71/90/74/523719074.db2.gz UTQDNMYZXSXJQU-CMPLNLGQSA-N 0 1 281.327 2.162 20 10 CECDMN C[C@H](CN1CCCC1=O)[NH2+]Cc1c([O-])cccc1Cl ZINC000083552029 524325353 /nfs/dbraw/zinc/32/53/53/524325353.db2.gz PIWDASFPYXCWBL-SNVBAGLBSA-N 0 1 282.771 2.146 20 10 CECDMN Cc1cc(CN(C)Cc2cnn(C)c2)ccc1N(C)C ZINC000293514880 524665355 /nfs/dbraw/zinc/66/53/55/524665355.db2.gz ONPIQMRKKNYLGJ-UHFFFAOYSA-N 0 1 272.396 2.427 20 10 CECDMN Cc1ccc([C@@H](C)N[C@H](C)c2ncnn2C)c(O)c1 ZINC000276696571 525748166 /nfs/dbraw/zinc/74/81/66/525748166.db2.gz VJSYLONPISXSBX-GHMZBOCLSA-N 0 1 260.341 2.241 20 10 CECDMN COc1cccc(CN[C@@H](C)c2nnc3ccccn32)c1O ZINC000237408359 526031104 /nfs/dbraw/zinc/03/11/04/526031104.db2.gz MAUGGFQVKOSSEN-NSHDSACASA-N 0 1 298.346 2.294 20 10 CECDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H](N2CC=CC2)C1 ZINC000742162979 575007859 /nfs/dbraw/zinc/00/78/59/575007859.db2.gz LLCUTDDZPCOCQH-OAHLLOKOSA-N 0 1 295.386 2.387 20 10 CECDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H](N2CC=CC2)C1 ZINC000742162979 575007861 /nfs/dbraw/zinc/00/78/61/575007861.db2.gz LLCUTDDZPCOCQH-OAHLLOKOSA-N 0 1 295.386 2.387 20 10 CECDMN CC[C@@H](CN1CCCC1)NC(=O)C1=CC(=O)CS1 ZINC000751392378 575287995 /nfs/dbraw/zinc/28/79/95/575287995.db2.gz XFWWQVSRIWFFSF-JTQLQIEISA-N 0 1 268.382 2.058 20 10 CECDMN O=C([O-])C[N@H+](CCCF)Cc1cc(Cl)ccc1O ZINC000833248398 604474012 /nfs/dbraw/zinc/47/40/12/604474012.db2.gz PKHWFYZJAFFZQP-UHFFFAOYSA-N 0 1 275.707 2.292 20 10 CECDMN O=C([O-])NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000834214568 605568290 /nfs/dbraw/zinc/56/82/90/605568290.db2.gz HUVMHLVWBZYRIZ-JTQLQIEISA-N 0 1 282.315 2.011 20 10 CECDMN Cn1cnnc1CNCc1cc(-c2ccccc2)ccc1O ZINC000725847133 625776627 /nfs/dbraw/zinc/77/66/27/625776627.db2.gz DTCXXUBNBAPHBK-UHFFFAOYSA-N 0 1 294.358 2.478 20 10 CECDMN CON(C)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000850479806 627286721 /nfs/dbraw/zinc/28/67/21/627286721.db2.gz ZSLVYJLBQLQAQD-SECBINFHSA-N 0 1 258.749 2.189 20 10 CECDMN COc1cccc(CNCc2oc(C)nc2C)c1O ZINC000311728455 627697510 /nfs/dbraw/zinc/69/75/10/627697510.db2.gz CGKKGLZSWNJLLK-UHFFFAOYSA-N 0 1 262.309 2.295 20 10 CECDMN CCOc1cccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1O ZINC000313741015 628632440 /nfs/dbraw/zinc/63/24/40/628632440.db2.gz CABODUFKWLMYNB-AAEUAGOBSA-N 0 1 293.363 2.334 20 10 CECDMN CCCC[N@@H+](CCO)Cc1cc(F)cc(F)c1[O-] ZINC000893878268 629027254 /nfs/dbraw/zinc/02/72/54/629027254.db2.gz TWAZBTCPPGXYEJ-UHFFFAOYSA-N 0 1 259.296 2.265 20 10 CECDMN CN(Cc1cc(F)cc(F)c1[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000894003500 629083660 /nfs/dbraw/zinc/08/36/60/629083660.db2.gz LTSKINZNXPDJIB-ZDUSSCGKSA-N 0 1 282.334 2.339 20 10 CECDMN Cc1ncoc1CNCc1ccc(N2CCOCC2)cc1 ZINC000894199725 629203090 /nfs/dbraw/zinc/20/30/90/629203090.db2.gz DMTLFNVSNFBYOT-UHFFFAOYSA-N 0 1 287.363 2.109 20 10 CECDMN C[N@@H+](CCc1cnccn1)Cc1cc(F)cc(F)c1[O-] ZINC000894424628 629453774 /nfs/dbraw/zinc/45/37/74/629453774.db2.gz JYQJEKMYJSGXBR-UHFFFAOYSA-N 0 1 279.290 2.135 20 10 CECDMN CCCCC[N@@H+](CC(N)=O)Cc1cc(F)cc(F)c1[O-] ZINC000894430986 629456219 /nfs/dbraw/zinc/45/62/19/629456219.db2.gz IHVPTGYWFPOGJD-UHFFFAOYSA-N 0 1 286.322 2.148 20 10 CECDMN COc1ccc(CN2CC3(CC(F)C3)C2)c(O)c1OC ZINC000894831143 629670503 /nfs/dbraw/zinc/67/05/03/629670503.db2.gz ZQEGKNJFGMXEKV-UHFFFAOYSA-N 0 1 281.327 2.343 20 10 CECDMN Cc1nnc(CN(C)Cc2cc(F)cc(F)c2O)s1 ZINC000895352178 630132117 /nfs/dbraw/zinc/13/21/17/630132117.db2.gz KXDUSXZTUFTVGD-UHFFFAOYSA-N 0 1 285.319 2.462 20 10 CECDMN CC1(C)C[C@@H](O)C[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895460657 630202885 /nfs/dbraw/zinc/20/28/85/630202885.db2.gz QLRNHDVXEUOTTB-LLVKDONJSA-N 0 1 271.307 2.263 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](CO)C[C@@H]2CCCO2)cc1Cl ZINC000895750195 630329019 /nfs/dbraw/zinc/32/90/19/630329019.db2.gz XXDXXFZQFZSNLU-STQMWFEESA-N 0 1 299.798 2.374 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H]2COC[C@@H]2C)cc1Cl ZINC000896732569 630651769 /nfs/dbraw/zinc/65/17/69/630651769.db2.gz IMRUGQXHSQUVCA-CABZTGNLSA-N 0 1 255.745 2.479 20 10 CECDMN Cc1cc(N(C)C)ccc1CNCc1cncc(O)c1 ZINC000897316300 631097521 /nfs/dbraw/zinc/09/75/21/631097521.db2.gz YKLJFHNABZLEFC-UHFFFAOYSA-N 0 1 271.364 2.451 20 10 CECDMN CN(C)c1cc(F)c(CN2C[C@@H]3C[C@@H]3C2)cc1F ZINC000862442190 631340624 /nfs/dbraw/zinc/34/06/24/631340624.db2.gz BEJLXCVUPJNENU-AOOOYVTPSA-N 0 1 252.308 2.483 20 10 CECDMN CCN(CC)c1ccc(CN2CC[C@@](F)(CO)C2)cc1 ZINC000802660782 631442488 /nfs/dbraw/zinc/44/24/88/631442488.db2.gz WGXCVVNVGKLYDQ-INIZCTEOSA-N 0 1 280.387 2.439 20 10 CECDMN Oc1ccc(F)cc1CN1CC[C@H](OC(F)F)C1 ZINC000802659279 631442620 /nfs/dbraw/zinc/44/26/20/631442620.db2.gz ZLWDYYUQUHYKJP-JTQLQIEISA-N 0 1 261.243 2.345 20 10 CECDMN CC1(C)CC[N@H+](Cc2cccc(F)c2[O-])CC[S@@]1=O ZINC000322101101 631723040 /nfs/dbraw/zinc/72/30/40/631723040.db2.gz JFZJLATVLMETIR-IBGZPJMESA-N 0 1 285.384 2.264 20 10 CECDMN CC[N@@H+](Cc1c([O-])ccc(Cl)c1F)[C@H](C)CO ZINC000814169621 632797527 /nfs/dbraw/zinc/79/75/27/632797527.db2.gz KOWOFAZXNFTPJW-MRVPVSSYSA-N 0 1 261.724 2.387 20 10 CECDMN Cc1cc(CN(C)CC(=O)NC(C)(C)C)ccc1N(C)C ZINC000815012996 632949471 /nfs/dbraw/zinc/94/94/71/632949471.db2.gz OZUKEKVGRKXBCD-UHFFFAOYSA-N 0 1 291.439 2.408 20 10 CECDMN Cc1nccnc1CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000815155056 632973915 /nfs/dbraw/zinc/97/39/15/632973915.db2.gz VRZJFEMMLHBOCN-UHFFFAOYSA-N 0 1 277.755 2.476 20 10 CECDMN C[C@]1(C(N)=O)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816597407 633418967 /nfs/dbraw/zinc/41/89/67/633418967.db2.gz QOBNTQLZDWPJMR-KRWDZBQOSA-N 0 1 284.359 2.243 20 10 CECDMN C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816597407 633418970 /nfs/dbraw/zinc/41/89/70/633418970.db2.gz QOBNTQLZDWPJMR-KRWDZBQOSA-N 0 1 284.359 2.243 20 10 CECDMN C[C@@H]1C[C@H](CO)C[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000817413328 633652263 /nfs/dbraw/zinc/65/22/63/633652263.db2.gz WKPKYSJEJLZCIT-MNOVXSKESA-N 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281.327 2.081 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@]2(C)CO)c1[O-] ZINC000723023307 802786275 /nfs/dbraw/zinc/78/62/75/802786275.db2.gz RMPAYJBJSRMIBV-HNNXBMFYSA-N 0 1 281.327 2.081 20 10 CECDMN C/C=C\C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000588489609 803080162 /nfs/dbraw/zinc/08/01/62/803080162.db2.gz ZUKUVFAVKYBUTE-DLGQBQFBSA-N 0 1 255.745 2.462 20 10 CECDMN COC[C@@H](CC[NH2+]Cc1c([O-])cccc1Cl)OC ZINC000694291218 803527252 /nfs/dbraw/zinc/52/72/52/803527252.db2.gz XFWITMLHWPKTGU-SNVBAGLBSA-N 0 1 273.760 2.187 20 10 CECDMN COC(=O)CC[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685940 804455985 /nfs/dbraw/zinc/45/59/85/804455985.db2.gz GOZLZJHPQMZAJC-JTQLQIEISA-N 0 1 299.317 2.446 20 10 CECDMN CC[N@@H+](Cc1cccc(Cl)c1[O-])C1CN(C)C1 ZINC001231914174 807198083 /nfs/dbraw/zinc/19/80/83/807198083.db2.gz GQIWVKNLEWPCSO-UHFFFAOYSA-N 0 1 254.761 2.182 20 10 CECDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(O)C2)cc1Cl ZINC001232270212 807239699 /nfs/dbraw/zinc/23/96/99/807239699.db2.gz 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KCZFONAXSIXZSO-SECBINFHSA-N 0 1 286.169 2.423 20 10 CECDMN Oc1cccc(Br)c1CN1CCCOCC1 ZINC000707134465 809881089 /nfs/dbraw/zinc/88/10/89/809881089.db2.gz GLQSVDUQNSDLLZ-UHFFFAOYSA-N 0 1 286.169 2.377 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CCOC[C@H]1CCCO1 ZINC000115624998 810620718 /nfs/dbraw/zinc/62/07/18/810620718.db2.gz JCQVURFQQMKGRW-LLVKDONJSA-N 0 1 285.771 2.331 20 10 CECDMN C[C@H]1COC[C@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691469696 811901683 /nfs/dbraw/zinc/90/16/83/811901683.db2.gz ZPRJTWIFBUVRQY-GZMMTYOYSA-N 0 1 286.169 2.279 20 10 CECDMN CN(C)c1cc(C[N@@H+](C)Cc2ccccc2O)ccn1 ZINC000754066048 814114197 /nfs/dbraw/zinc/11/41/97/814114197.db2.gz KPFAUMIDAWTRGV-UHFFFAOYSA-N 0 1 271.364 2.485 20 10 CECDMN [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2[O-])CC(F)(F)C1 ZINC001206132017 814619132 /nfs/dbraw/zinc/61/91/32/814619132.db2.gz LWWOAHRYZQPGMB-JTQLQIEISA-N 0 1 276.714 2.214 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H](CCO)C1 ZINC001139684099 814747861 /nfs/dbraw/zinc/74/78/61/814747861.db2.gz 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/nfs/dbraw/zinc/42/93/87/369429387.db2.gz WZCVOAPYSPTTCA-ZDUSSCGKSA-N 0 1 296.798 2.392 20 10 CECDMN CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c(O)c1 ZINC000191176037 369688588 /nfs/dbraw/zinc/68/85/88/369688588.db2.gz FCOCOZNFWWDETI-DOMZBBRYSA-N 0 1 279.380 2.384 20 10 CECDMN CC[C@@]1(CO)CCC[N@H+]1Cc1cccc(OC)c1O ZINC000191958398 369757531 /nfs/dbraw/zinc/75/75/31/369757531.db2.gz PAPSZABDVYYNNC-HNNXBMFYSA-N 0 1 265.353 2.138 20 10 CECDMN CCN(CC)c1ccc(CN2CCCN(C)C(=O)C2)cc1 ZINC000191669414 369731978 /nfs/dbraw/zinc/73/19/78/369731978.db2.gz NKVZLYLFYAORFD-UHFFFAOYSA-N 0 1 289.423 2.197 20 10 CECDMN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(F)ccc1O ZINC000191674291 369732358 /nfs/dbraw/zinc/73/23/58/369732358.db2.gz MHPRNXJMKIWPBL-DGFSRKRXSA-N 0 1 293.338 2.305 20 10 CECDMN Cc1ccc(O)c([C@H](C)NCc2nnc3n2CCC3)c1 ZINC000273382824 373753553 /nfs/dbraw/zinc/75/35/53/373753553.db2.gz IRVJEXFAXWUJOB-NSHDSACASA-N 0 1 272.352 2.089 20 10 CECDMN Cc1ccc(O)c([C@@H](C)NCc2nnc3n2CCC3)c1 ZINC000273382821 373753571 /nfs/dbraw/zinc/75/35/71/373753571.db2.gz IRVJEXFAXWUJOB-LLVKDONJSA-N 0 1 272.352 2.089 20 10 CECDMN C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cc(Cl)ccc1[O-] ZINC000273595941 373766332 /nfs/dbraw/zinc/76/63/32/373766332.db2.gz QPNKBXPWGRBQPE-VHSXEESVSA-N 0 1 280.759 2.376 20 10 CECDMN Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2ccccc2O)n1 ZINC000371534776 373915473 /nfs/dbraw/zinc/91/54/73/373915473.db2.gz ORWHIJYDBTWXAG-HNNXBMFYSA-N 0 1 286.379 2.265 20 10 CECDMN CCOc1cccc(CN2CCO[C@@H](C3CC3)C2)c1O ZINC000375330081 374653420 /nfs/dbraw/zinc/65/34/20/374653420.db2.gz CIBJHTBIYIAQOF-OAHLLOKOSA-N 0 1 277.364 2.402 20 10 CECDMN C[C@H]1OCC[C@@]12C[N@@H+](Cc1cccc(Cl)c1[O-])CCO2 ZINC000279702514 374957734 /nfs/dbraw/zinc/95/77/34/374957734.db2.gz RITZWNCYFBFARK-IAQYHMDHSA-N 0 1 297.782 2.425 20 10 CECDMN CO[C@@H](C)C[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000285626995 375841940 /nfs/dbraw/zinc/84/19/40/375841940.db2.gz KQBWNNXHICDQHB-VIFPVBQESA-N 0 1 269.316 2.201 20 10 CECDMN CO[C@@H](C)C[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000285626995 375841943 /nfs/dbraw/zinc/84/19/43/375841943.db2.gz KQBWNNXHICDQHB-VIFPVBQESA-N 0 1 269.316 2.201 20 10 CECDMN CO[C@@H](C)CN(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000285626995 375841947 /nfs/dbraw/zinc/84/19/47/375841947.db2.gz KQBWNNXHICDQHB-VIFPVBQESA-N 0 1 269.316 2.201 20 10 CECDMN C[N@H+]1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295026685 378035931 /nfs/dbraw/zinc/03/59/31/378035931.db2.gz XBYVEPDUMDMPAA-UHFFFAOYSA-N 0 1 272.751 2.322 20 10 CECDMN CCOc1ccc(O)c(CN2CCO[C@@H](C)[C@@H]2C)c1 ZINC000093418581 394666180 /nfs/dbraw/zinc/66/61/80/394666180.db2.gz JRWBECZBIGKORI-RYUDHWBXSA-N 0 1 265.353 2.400 20 10 CECDMN CCOc1cccc(CN(C)Cc2cnn(C)c2)c1O ZINC000119690126 394771900 /nfs/dbraw/zinc/77/19/00/394771900.db2.gz KDRWHDKYJUYFQN-UHFFFAOYSA-N 0 1 275.352 2.156 20 10 CECDMN CC[C@@H]1CO[C@H](C)CN1Cc1cc(OC)ccc1O ZINC000131498599 394912685 /nfs/dbraw/zinc/91/26/85/394912685.db2.gz QLQJGZPPLXZEMO-DGCLKSJQSA-N 0 1 265.353 2.400 20 10 CECDMN COc1ccc(O)c(CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000132767239 394936968 /nfs/dbraw/zinc/93/69/68/394936968.db2.gz UMEWJXSQKGUFIU-DZGCQCFKSA-N 0 1 263.337 2.154 20 10 CECDMN C[N@@H+](Cc1ccccc1O)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000182899106 395250375 /nfs/dbraw/zinc/25/03/75/395250375.db2.gz RBSQWFADHBJVNR-WBVHZDCISA-N 0 1 269.344 2.482 20 10 CECDMN CCCCN(Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000179553094 395195275 /nfs/dbraw/zinc/19/52/75/395195275.db2.gz AZKUDQCVAGPEOM-AWEZNQCLSA-N 0 1 297.420 2.181 20 10 CECDMN COC[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000081072268 260182220 /nfs/dbraw/zinc/18/22/20/260182220.db2.gz PMLSRYJEDAJEPX-LLVKDONJSA-N 0 1 281.327 2.202 20 10 CECDMN COC[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000081072268 260182221 /nfs/dbraw/zinc/18/22/21/260182221.db2.gz PMLSRYJEDAJEPX-LLVKDONJSA-N 0 1 281.327 2.202 20 10 CECDMN C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000164322137 261348000 /nfs/dbraw/zinc/34/80/00/261348000.db2.gz KADQILYULBMEFG-DTWKUNHWSA-N 0 1 288.185 2.261 20 10 CECDMN C[C@@H]([NH2+]CCCOCCO)c1cc(Cl)ccc1[O-] ZINC000186513888 262096480 /nfs/dbraw/zinc/09/64/80/262096480.db2.gz HDQUITMSZLWVKY-SNVBAGLBSA-N 0 1 273.760 2.095 20 10 CECDMN CCOc1ccc(O)c(C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000368888333 267211625 /nfs/dbraw/zinc/21/16/25/267211625.db2.gz LUIBIFNTTNMVJG-INIZCTEOSA-N 0 1 277.364 2.402 20 10 CECDMN CCOc1ccc(O)c(CN2CCO[C@H](C3CC3)C2)c1 ZINC000368888333 267211630 /nfs/dbraw/zinc/21/16/30/267211630.db2.gz LUIBIFNTTNMVJG-INIZCTEOSA-N 0 1 277.364 2.402 20 10 CECDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000370687150 267340207 /nfs/dbraw/zinc/34/02/07/267340207.db2.gz BLOYNWHAWDFCPD-NSHDSACASA-N 0 1 271.719 2.141 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1[O-] ZINC000163076228 327706244 /nfs/dbraw/zinc/70/62/44/327706244.db2.gz QPLCXMDQVCOHQC-GXSJLCMTSA-N 0 1 281.327 2.249 20 10 CECDMN Oc1c(Cl)cccc1CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377701410 329025580 /nfs/dbraw/zinc/02/55/80/329025580.db2.gz PAYAPZAMFKAIPG-KGLIPLIRSA-N 0 1 297.782 2.425 20 10 CECDMN C[C@H](CCN(C)C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124755913 329573597 /nfs/dbraw/zinc/57/35/97/329573597.db2.gz SYLXHFHRYHNUMS-SNVBAGLBSA-N 0 1 256.777 2.475 20 10 CECDMN CCn1ncc(CN[C@@H](C)c2c(C)cc(C)cc2O)n1 ZINC000527925564 330296448 /nfs/dbraw/zinc/29/64/48/330296448.db2.gz VEQAHRBJGFAFMH-LBPRGKRZSA-N 0 1 274.368 2.471 20 10 CECDMN C[C@H]([NH2+]CC1COC1)c1ccc(Br)cc1[O-] ZINC000528023447 330304759 /nfs/dbraw/zinc/30/47/59/330304759.db2.gz DEAFGBSANFNNGT-QMMMGPOBSA-N 0 1 286.169 2.452 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c1[O-] ZINC000227057922 333275427 /nfs/dbraw/zinc/27/54/27/333275427.db2.gz VBZBHVZEULKVDE-XPTSAGLGSA-N 0 1 297.782 2.451 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1[O-] ZINC000227057922 333275429 /nfs/dbraw/zinc/27/54/29/333275429.db2.gz VBZBHVZEULKVDE-XPTSAGLGSA-N 0 1 297.782 2.451 20 10 CECDMN C[C@H]([NH2+]CCCO)c1cc(Br)ccc1[O-] ZINC000134903663 334107479 /nfs/dbraw/zinc/10/74/79/334107479.db2.gz XTWPUYIDDDCEKJ-QMMMGPOBSA-N 0 1 274.158 2.188 20 10 CECDMN CCCN(CCCS(C)(=O)=O)Cc1ccccc1O ZINC000103142237 521653204 /nfs/dbraw/zinc/65/32/04/521653204.db2.gz XKEUXTRTPKUTKL-UHFFFAOYSA-N 0 1 285.409 2.039 20 10 CECDMN CCC[N@H+](CCO)Cc1cc(Br)ccc1[O-] ZINC000128025828 521667244 /nfs/dbraw/zinc/66/72/44/521667244.db2.gz MVYJSEZYWGCOMZ-UHFFFAOYSA-N 0 1 288.185 2.359 20 10 CECDMN CCC[N@@H+](CCO)Cc1cc(Br)ccc1[O-] ZINC000128025828 521667247 /nfs/dbraw/zinc/66/72/47/521667247.db2.gz MVYJSEZYWGCOMZ-UHFFFAOYSA-N 0 1 288.185 2.359 20 10 CECDMN C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000280921510 525378643 /nfs/dbraw/zinc/37/86/43/525378643.db2.gz RCYZBFNLHJYTIC-SRVKXCTJSA-N 0 1 299.798 2.341 20 10 CECDMN C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc2ccccc2c1[O-] ZINC000037740511 525455332 /nfs/dbraw/zinc/45/53/32/525455332.db2.gz UKWAIRZCSCRLFB-LLVKDONJSA-N 0 1 293.388 2.241 20 10 CECDMN C[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc2ccccc2c1[O-] ZINC000050394345 525607644 /nfs/dbraw/zinc/60/76/44/525607644.db2.gz DADBNXMWLUKFCY-NHYWBVRUSA-N 0 1 284.359 2.475 20 10 CECDMN Cc1ccc([C@@H](N)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000280810369 525766576 /nfs/dbraw/zinc/76/65/76/525766576.db2.gz VRGOONWPYFXWCX-QGZVFWFLSA-N 0 1 297.402 2.377 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252700976 526365997 /nfs/dbraw/zinc/36/59/97/526365997.db2.gz BTMQTWASQSKEFP-MGCOHNPYSA-N 0 1 255.745 2.439 20 10 CECDMN C[N@H+](Cc1ccccc1O)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739715752 574508327 /nfs/dbraw/zinc/50/83/27/574508327.db2.gz QORBASKDUAXEGJ-GFCCVEGCSA-N 0 1 278.352 2.214 20 10 CECDMN C[C@@H](CNC(=O)C1=CC(=O)CS1)N1CCC(C)CC1 ZINC000731871421 574604540 /nfs/dbraw/zinc/60/45/40/574604540.db2.gz KBBUMTBZVLPFSN-NSHDSACASA-N 0 1 282.409 2.304 20 10 CECDMN CC[N@@H+](CCC(=O)[O-])Cc1cc2c(cc1O)CCC2 ZINC000737095997 574809332 /nfs/dbraw/zinc/80/93/32/574809332.db2.gz HDAORAPWZQSANH-UHFFFAOYSA-N 0 1 263.337 2.178 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CCCNc1ncccn1 ZINC000751507071 575290630 /nfs/dbraw/zinc/29/06/30/575290630.db2.gz RNVQNIVVAQNRNS-UHFFFAOYSA-N 0 1 292.770 2.427 20 10 CECDMN O=C([O-])C1CCC([NH2+]Cc2cccc(F)c2O)CC1 ZINC000821504275 598212908 /nfs/dbraw/zinc/21/29/08/598212908.db2.gz OTOLQZDNSVBECB-UHFFFAOYSA-N 0 1 267.300 2.264 20 10 CECDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC000086752180 600950653 /nfs/dbraw/zinc/95/06/53/600950653.db2.gz LLJNPCKVFLHMEK-GFCCVEGCSA-N 0 1 264.369 2.438 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+](CC(=O)[O-])C(C)C)c1O ZINC000819796997 601149599 /nfs/dbraw/zinc/14/95/99/601149599.db2.gz SWXNRFWWYCVSSD-UHFFFAOYSA-N 0 1 283.299 2.029 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1C(=O)[O-] ZINC000833630334 604669359 /nfs/dbraw/zinc/66/93/59/604669359.db2.gz RONPZFSGTHBFRZ-ZYHUDNBSSA-N 0 1 280.343 2.044 20 10 CECDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000128822184 604675748 /nfs/dbraw/zinc/67/57/48/604675748.db2.gz HPFOHWUJBVHMFL-ZDUSSCGKSA-N 0 1 269.728 2.342 20 10 CECDMN C[C@H](C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1)C(=O)[O-] ZINC000833515951 605751042 /nfs/dbraw/zinc/75/10/42/605751042.db2.gz BRFWMBJQHNKNSC-GFCCVEGCSA-N 0 1 276.380 2.438 20 10 CECDMN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC000834094827 606062753 /nfs/dbraw/zinc/06/27/53/606062753.db2.gz GQDDXNNNWDKVLU-NEPJUHHUSA-N 0 1 294.326 2.248 20 10 CECDMN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC000834094827 606062758 /nfs/dbraw/zinc/06/27/58/606062758.db2.gz GQDDXNNNWDKVLU-NEPJUHHUSA-N 0 1 294.326 2.248 20 10 CECDMN C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(F)ccc1[O-] ZINC000252812388 622588246 /nfs/dbraw/zinc/58/82/46/622588246.db2.gz QAOVZRXWJQODNC-YUSALJHKSA-N 0 1 253.317 2.485 20 10 CECDMN CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1[O-])[NH+](C)C ZINC000890760564 622931587 /nfs/dbraw/zinc/93/15/87/622931587.db2.gz TYFIEDBFSAHMRQ-LBPRGKRZSA-N 0 1 284.787 2.248 20 10 CECDMN CN(CCc1ccccc1)CC(=O)NCc1ccccc1O ZINC000821055344 634615753 /nfs/dbraw/zinc/61/57/53/634615753.db2.gz MLBMIUGKOINMQE-UHFFFAOYSA-N 0 1 298.386 2.183 20 10 CECDMN CCCN(CC(=O)OC)Cc1cc(F)cc(F)c1O ZINC000893864079 629020315 /nfs/dbraw/zinc/02/03/15/629020315.db2.gz RZJNWCLEBHXADO-UHFFFAOYSA-N 0 1 273.279 2.055 20 10 CECDMN Cc1[nH]nc(CN(C)c2ccc3c(c2)OCO3)c1C ZINC000894429276 629455743 /nfs/dbraw/zinc/45/57/43/629455743.db2.gz BLFCSQRYZXEXEH-UHFFFAOYSA-N 0 1 259.309 2.392 20 10 CECDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000894866017 629703424 /nfs/dbraw/zinc/70/34/24/629703424.db2.gz DCEFQCCURYTUAK-JTQLQIEISA-N 0 1 271.307 2.265 20 10 CECDMN CC1=NO[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000895311043 630100172 /nfs/dbraw/zinc/10/01/72/630100172.db2.gz NJJHKSZTYDVHDT-LLVKDONJSA-N 0 1 254.717 2.300 20 10 CECDMN Oc1c(F)cc(F)cc1CN1CCc2ncncc2C1 ZINC000895725018 630316139 /nfs/dbraw/zinc/31/61/39/630316139.db2.gz YDMINJBRXQCYPN-UHFFFAOYSA-N 0 1 277.274 2.019 20 10 CECDMN C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1Cc1cc(F)cc(F)c1O ZINC000895924116 630404847 /nfs/dbraw/zinc/40/48/47/630404847.db2.gz ZKJXROAGRHGRMF-OPRDCNLKSA-N 0 1 298.333 2.110 20 10 CECDMN CCOC(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000896959571 630837087 /nfs/dbraw/zinc/83/70/87/630837087.db2.gz BZPJNFRBVABWMY-LLVKDONJSA-N 0 1 283.755 2.431 20 10 CECDMN CCO[C@H]1CC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000897067934 630915055 /nfs/dbraw/zinc/91/50/55/630915055.db2.gz FEYMSAUNUVTJEQ-NSHDSACASA-N 0 1 251.326 2.012 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000897355477 631170143 /nfs/dbraw/zinc/17/01/43/631170143.db2.gz SKZSPTUQGKYUTR-JLIMDTESSA-N 0 1 286.169 2.015 20 10 CECDMN CCN(Cc1cc(C)c(C)cc1O)[C@H](C)CS(C)(=O)=O ZINC000093390538 631181997 /nfs/dbraw/zinc/18/19/97/631181997.db2.gz LYUURJKGNHVPBT-CYBMUJFWSA-N 0 1 299.436 2.264 20 10 CECDMN COc1ccc(O)c([C@@H](C)NCc2ccc(OC)nn2)c1 ZINC000801529215 631283760 /nfs/dbraw/zinc/28/37/60/631283760.db2.gz LYNYCQRICDYKKT-SNVBAGLBSA-N 0 1 289.335 2.050 20 10 CECDMN CC[C@@H]([NH2+]C[C@H](O)COC)c1cc(Cl)ccc1[O-] ZINC000802310774 631424147 /nfs/dbraw/zinc/42/41/47/631424147.db2.gz WRRXSLXEFRJPDW-CMPLNLGQSA-N 0 1 273.760 2.094 20 10 CECDMN OC[C@@]1(F)CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000802661662 631442580 /nfs/dbraw/zinc/44/25/80/631442580.db2.gz VAZBVCOOUWYQOU-GFCCVEGCSA-N 0 1 277.698 2.091 20 10 CECDMN Cc1cc(Br)c([O-])c(CN2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000841024795 631803959 /nfs/dbraw/zinc/80/39/59/631803959.db2.gz SPCSDLBYRZWWCA-BXKDBHETSA-N 0 1 299.212 2.385 20 10 CECDMN CC(=O)N[C@@H]1CCN(Cc2cc(Cl)c(C)cc2O)C1 ZINC000826130150 635764502 /nfs/dbraw/zinc/76/45/02/635764502.db2.gz DRUVZHNAGJURMY-GFCCVEGCSA-N 0 1 282.771 2.064 20 10 CECDMN NC(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816478109 633397676 /nfs/dbraw/zinc/39/76/76/633397676.db2.gz URKDTDRQTKJVAX-CQSZACIVSA-N 0 1 284.359 2.243 20 10 CECDMN NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816478109 633397679 /nfs/dbraw/zinc/39/76/79/633397679.db2.gz URKDTDRQTKJVAX-CQSZACIVSA-N 0 1 284.359 2.243 20 10 CECDMN [O-]c1c(C[NH2+]C[C@@H]2COCCO2)ccc2ccccc21 ZINC000816536770 633409154 /nfs/dbraw/zinc/40/91/54/633409154.db2.gz JMCSTHQTIJYNDB-CQSZACIVSA-N 0 1 273.332 2.050 20 10 CECDMN C[C@H]1CN(Cc2ccc3ccccc3c2O)C[C@@H](CO)O1 ZINC000816588173 633417757 /nfs/dbraw/zinc/41/77/57/633417757.db2.gz HTUWQVKTPFTUND-WFASDCNBSA-N 0 1 287.359 2.127 20 10 CECDMN Oc1cc(F)c(Cl)cc1CN1C[C@@H](O)CC(F)(F)C1 ZINC000816589064 633418653 /nfs/dbraw/zinc/41/86/53/633418653.db2.gz KPJVPQULVXZYJX-QMMMGPOBSA-N 0 1 295.688 2.387 20 10 CECDMN CC(=O)N[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000817415709 633654516 /nfs/dbraw/zinc/65/45/16/633654516.db2.gz XBYWZJIOELJOEF-OAHLLOKOSA-N 0 1 284.359 2.256 20 10 CECDMN CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000817415709 633654520 /nfs/dbraw/zinc/65/45/20/633654520.db2.gz XBYWZJIOELJOEF-OAHLLOKOSA-N 0 1 284.359 2.256 20 10 CECDMN CC(C)(C)N1CC[C@@H](NCc2ccc3c(c2)CCO3)C1=O ZINC000818112185 633871477 /nfs/dbraw/zinc/87/14/77/633871477.db2.gz VMMRWAHRLNGBLH-CQSZACIVSA-N 0 1 288.391 2.111 20 10 CECDMN CCn1nc(C)c(CN[C@H](C)c2ccc(C)cc2O)n1 ZINC000818344230 633912594 /nfs/dbraw/zinc/91/25/94/633912594.db2.gz AJLPJFGPDNWEEM-LLVKDONJSA-N 0 1 274.368 2.471 20 10 CECDMN CNC(=O)C1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824542150 635446886 /nfs/dbraw/zinc/44/68/86/635446886.db2.gz OWRZFIJBBBOHIA-UHFFFAOYSA-N 0 1 296.798 2.312 20 10 CECDMN Cc1cc(O)c(CN(C)[C@H]2CCN(C)C2=O)cc1Cl ZINC000824835987 635507185 /nfs/dbraw/zinc/50/71/85/635507185.db2.gz FTOVCCSBXBALDO-LBPRGKRZSA-N 0 1 282.771 2.017 20 10 CECDMN CCc1ncc(CNCc2cc(OC)ccc2O)o1 ZINC000825079451 635560020 /nfs/dbraw/zinc/56/00/20/635560020.db2.gz UOKIZUWBJGWHOT-UHFFFAOYSA-N 0 1 262.309 2.241 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCN2CCOC[C@@H]2C)cc1Cl ZINC000825425998 635636795 /nfs/dbraw/zinc/63/67/95/635636795.db2.gz SGOHJAPRTUGSAF-LBPRGKRZSA-N 0 1 298.814 2.164 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCc2ccn(C)n2)cc1Cl ZINC000825514509 635650441 /nfs/dbraw/zinc/65/04/41/635650441.db2.gz PDNTYBKVEVIQTO-UHFFFAOYSA-N 0 1 279.771 2.420 20 10 CECDMN Cc1cc([O-])c(C[N@@H+](C)CC2(O)CCOCC2)cc1Cl ZINC000825628734 635681041 /nfs/dbraw/zinc/68/10/41/635681041.db2.gz HEGBBLSYGRDWKR-UHFFFAOYSA-N 0 1 299.798 2.327 20 10 CECDMN Cc1cc([O-])c(C[N@H+](C)CC2(O)CCOCC2)cc1Cl ZINC000825628734 635681045 /nfs/dbraw/zinc/68/10/45/635681045.db2.gz HEGBBLSYGRDWKR-UHFFFAOYSA-N 0 1 299.798 2.327 20 10 CECDMN CC[N@H+](CCOCCO)Cc1cc(Cl)c(C)cc1[O-] ZINC000825774573 635711122 /nfs/dbraw/zinc/71/11/22/635711122.db2.gz YPABQDWLIQDMOY-UHFFFAOYSA-N 0 1 287.787 2.185 20 10 CECDMN CC[N@@H+](CCOCCO)Cc1cc(Cl)c(C)cc1[O-] ZINC000825774573 635711124 /nfs/dbraw/zinc/71/11/24/635711124.db2.gz YPABQDWLIQDMOY-UHFFFAOYSA-N 0 1 287.787 2.185 20 10 CECDMN CO[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000826952800 636170037 /nfs/dbraw/zinc/17/00/37/636170037.db2.gz TTYZTMFYNDSSSK-AWEZNQCLSA-N 0 1 285.771 2.019 20 10 CECDMN CO[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000826952800 636170043 /nfs/dbraw/zinc/17/00/43/636170043.db2.gz TTYZTMFYNDSSSK-AWEZNQCLSA-N 0 1 285.771 2.019 20 10 CECDMN O=C1OCCN1[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000827001410 636185463 /nfs/dbraw/zinc/18/54/63/636185463.db2.gz VUFFEXUJTFCRMZ-SNVBAGLBSA-N 0 1 296.754 2.072 20 10 CECDMN O=C1OCCN1[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000827001410 636185469 /nfs/dbraw/zinc/18/54/69/636185469.db2.gz VUFFEXUJTFCRMZ-SNVBAGLBSA-N 0 1 296.754 2.072 20 10 CECDMN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H]1COCCO1 ZINC000827139389 636230896 /nfs/dbraw/zinc/23/08/96/636230896.db2.gz ACSWCVWADXOGLO-JTQLQIEISA-N 0 1 289.734 2.032 20 10 CECDMN COC(=O)N(C)CCN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000827340640 636298959 /nfs/dbraw/zinc/29/89/59/636298959.db2.gz NTODXEMDFZBQFK-UHFFFAOYSA-N 0 1 297.374 2.022 20 10 CECDMN COC(=O)[C@H]1C[C@@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000827500847 636338644 /nfs/dbraw/zinc/33/86/44/636338644.db2.gz LUZSAMUFXDABGD-AOOOYVTPSA-N 0 1 283.755 2.395 20 10 CECDMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876510087 650296246 /nfs/dbraw/zinc/29/62/46/650296246.db2.gz OJHFEQDCFJASBK-LLVKDONJSA-N 0 1 299.317 2.446 20 10 CECDMN COCC(COC)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000834891584 637978673 /nfs/dbraw/zinc/97/86/73/637978673.db2.gz OXMXKLMQJXAHCV-VIFPVBQESA-N 0 1 273.760 2.358 20 10 CECDMN CN(C)c1ccc(/C=C/CNCc2ccn(C)n2)cc1 ZINC000835040359 638033976 /nfs/dbraw/zinc/03/39/76/638033976.db2.gz BRYYVQNKGMWOFW-SNAWJCMRSA-N 0 1 270.380 2.289 20 10 CECDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876765206 650424569 /nfs/dbraw/zinc/42/45/69/650424569.db2.gz VRTRKQNODMHPAC-JTQLQIEISA-N 0 1 285.290 2.198 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CC2(C)OCCO2)c(Cl)c1 ZINC000840908020 639580573 /nfs/dbraw/zinc/58/05/73/639580573.db2.gz MTLVTRGBNCEWGK-UHFFFAOYSA-N 0 1 271.744 2.207 20 10 CECDMN COC[C@H]1CN(Cc2ccc(N(C)C)cc2C)C[C@@H](C)O1 ZINC000840940093 639594581 /nfs/dbraw/zinc/59/45/81/639594581.db2.gz UKABSFHGLYCHGL-RHSMWYFYSA-N 0 1 292.423 2.297 20 10 CECDMN C[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000840998468 639611846 /nfs/dbraw/zinc/61/18/46/639611846.db2.gz CYJVZMAOJQGXFT-ZDUSSCGKSA-N 0 1 287.718 2.481 20 10 CECDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000840998468 639611847 /nfs/dbraw/zinc/61/18/47/639611847.db2.gz CYJVZMAOJQGXFT-ZDUSSCGKSA-N 0 1 287.718 2.481 20 10 CECDMN C[C@H]1CC[N@H+](Cc2cccc(F)c2O)C[C@H]1C(=O)[O-] ZINC000843039080 640246466 /nfs/dbraw/zinc/24/64/66/640246466.db2.gz AHMVCPMIVRPQJL-GXSJLCMTSA-N 0 1 267.300 2.074 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C[C@H]1C(=O)[O-] ZINC000843039080 640246474 /nfs/dbraw/zinc/24/64/74/640246474.db2.gz AHMVCPMIVRPQJL-GXSJLCMTSA-N 0 1 267.300 2.074 20 10 CECDMN C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C[C@@H]1C(=O)[O-] ZINC000843039081 640246791 /nfs/dbraw/zinc/24/67/91/640246791.db2.gz AHMVCPMIVRPQJL-KOLCDFICSA-N 0 1 267.300 2.074 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C[C@@H]1C(=O)[O-] ZINC000843039081 640246796 /nfs/dbraw/zinc/24/67/96/640246796.db2.gz AHMVCPMIVRPQJL-KOLCDFICSA-N 0 1 267.300 2.074 20 10 CECDMN Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1O ZINC000843041592 640248576 /nfs/dbraw/zinc/24/85/76/640248576.db2.gz UDMSPWXDZQVOAX-MFKMUULPSA-N 0 1 263.337 2.243 20 10 CECDMN C[C@H]([NH3+])[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843056809 640258828 /nfs/dbraw/zinc/25/88/28/640258828.db2.gz AICTXFDFMZVADI-IUCAKERBSA-N 0 1 272.751 2.354 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2CC[NH2+]C[C@@H]2C)c1[O-] ZINC000843347782 640398504 /nfs/dbraw/zinc/39/85/04/640398504.db2.gz MAPIIWXVTWOKLE-VIFPVBQESA-N 0 1 282.771 2.042 20 10 CECDMN COc1cc(O)c(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1OC ZINC000844759345 640829571 /nfs/dbraw/zinc/82/95/71/640829571.db2.gz XFXSLVXQORJPSN-AOOOYVTPSA-N 0 1 285.290 2.106 20 10 CECDMN Cc1ncc(CNCc2ccc(N(C)C)cc2)cn1 ZINC000917138992 640857104 /nfs/dbraw/zinc/85/71/04/640857104.db2.gz FDLGQHKVYRQVSZ-UHFFFAOYSA-N 0 1 256.353 2.141 20 10 CECDMN CCn1nnc(C)c1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000846055460 641166183 /nfs/dbraw/zinc/16/61/83/641166183.db2.gz MKGRHMXXXNVGDM-UHFFFAOYSA-N 0 1 280.759 2.255 20 10 CECDMN Cc1cc(C[N@H+](CC(=O)[O-])C(C)C)ccc1N(C)C ZINC000846267642 641249271 /nfs/dbraw/zinc/24/92/71/641249271.db2.gz VIKJEBGAPKSGDU-UHFFFAOYSA-N 0 1 264.369 2.356 20 10 CECDMN CN(C)c1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000846290097 641263023 /nfs/dbraw/zinc/26/30/23/641263023.db2.gz DWLHQOQSCKIFNA-JKSUJKDBSA-N 0 1 288.391 2.295 20 10 CECDMN CCC[N@H+](CC[C@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000846807300 641432878 /nfs/dbraw/zinc/43/28/78/641432878.db2.gz BYFQMJQNXXRBBQ-CYBMUJFWSA-N 0 1 276.380 2.130 20 10 CECDMN CCC[N@@H+](CC[C@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000846807300 641432882 /nfs/dbraw/zinc/43/28/82/641432882.db2.gz BYFQMJQNXXRBBQ-CYBMUJFWSA-N 0 1 276.380 2.130 20 10 CECDMN CCOC(=O)C1(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000770666242 642162678 /nfs/dbraw/zinc/16/26/78/642162678.db2.gz WVENYDQZOKWVLM-UHFFFAOYSA-N 0 1 283.755 2.479 20 10 CECDMN C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(F)c(F)c1[O-])CCO2 ZINC000877485885 650744554 /nfs/dbraw/zinc/74/45/54/650744554.db2.gz BUVXUUNFQVFSMY-BONVTDFDSA-N 0 1 299.317 2.050 20 10 CECDMN C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(F)c(F)c1[O-])CCO2 ZINC000877485885 650744557 /nfs/dbraw/zinc/74/45/57/650744557.db2.gz BUVXUUNFQVFSMY-BONVTDFDSA-N 0 1 299.317 2.050 20 10 CECDMN Cc1cccc(O)c1CN1CCCC[C@H]1CS(C)(=O)=O ZINC000877568392 650793474 /nfs/dbraw/zinc/79/34/74/650793474.db2.gz MUCWBEVKKCXOAR-ZDUSSCGKSA-N 0 1 297.420 2.100 20 10 CECDMN Oc1c(F)c(F)ccc1CNc1cnn(CCF)c1 ZINC000877654150 650836312 /nfs/dbraw/zinc/83/63/12/650836312.db2.gz VXAQWNMUWCTFKQ-UHFFFAOYSA-N 0 1 271.242 2.449 20 10 CECDMN CCOC1CN(Cc2cccc(Br)c2O)C1 ZINC000839132414 644169062 /nfs/dbraw/zinc/16/90/62/644169062.db2.gz PFXSLQAFMKAVOX-UHFFFAOYSA-N 0 1 286.169 2.375 20 10 CECDMN Cc1ccc(O)c(CN2CC(C(=O)OC(C)(C)C)C2)c1 ZINC000839132890 644169284 /nfs/dbraw/zinc/16/92/84/644169284.db2.gz GWWJXOISLRDPCP-UHFFFAOYSA-N 0 1 277.364 2.474 20 10 CECDMN Cc1nc([C@H](C)N2CCOc3cc(N(C)C)ccc32)n[nH]1 ZINC000839530482 644267552 /nfs/dbraw/zinc/26/75/52/644267552.db2.gz CRYFCUGHUKBIBH-JTQLQIEISA-N 0 1 287.367 2.139 20 10 CECDMN CC[S@@](=O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000756578039 644671637 /nfs/dbraw/zinc/67/16/37/644671637.db2.gz VQAUDESUXOXYQY-HUTHGQBESA-N 0 1 275.801 2.465 20 10 CECDMN C[C@H]([NH2+]CCCn1cncn1)c1cc(Cl)ccc1[O-] ZINC000756830018 644696473 /nfs/dbraw/zinc/69/64/73/644696473.db2.gz NWRSZPRAVGLGAG-JTQLQIEISA-N 0 1 280.759 2.378 20 10 CECDMN Cc1cc(CNCc2ccc3c(c2)CCO3)ncn1 ZINC000756991526 644716076 /nfs/dbraw/zinc/71/60/76/644716076.db2.gz UWLBGOYZQGORBW-UHFFFAOYSA-N 0 1 255.321 2.010 20 10 CECDMN COc1cc(Cl)cc(CN(C)Cc2cn[nH]c2)c1O ZINC000761202822 645256007 /nfs/dbraw/zinc/25/60/07/645256007.db2.gz NGAPRYPXCXAWSK-UHFFFAOYSA-N 0 1 281.743 2.409 20 10 CECDMN Cc1cc(Br)c([O-])c(C[N@H+](C)C[C@@H](C)O)c1 ZINC000761500118 645291795 /nfs/dbraw/zinc/29/17/95/645291795.db2.gz SGCZYGWNTOAXSN-SECBINFHSA-N 0 1 288.185 2.276 20 10 CECDMN C[N@H+](Cc1ccccc1O)C[C@H](O)CC1(O)CCCCC1 ZINC000878242129 651043733 /nfs/dbraw/zinc/04/37/33/651043733.db2.gz NCIPLYGNQGRKDY-OAHLLOKOSA-N 0 1 293.407 2.270 20 10 CECDMN CCCCC[N@@H+](CCO)Cc1c(O)cccc1OC ZINC000768241217 646100551 /nfs/dbraw/zinc/10/05/51/646100551.db2.gz OOVVQEVNYNPGQI-UHFFFAOYSA-N 0 1 267.369 2.385 20 10 CECDMN [O-]c1cccc(Br)c1C[NH+]1CCC(O)CC1 ZINC000862213971 646365095 /nfs/dbraw/zinc/36/50/95/646365095.db2.gz ZUJDAXWTFXRIMB-UHFFFAOYSA-N 0 1 286.169 2.111 20 10 CECDMN Oc1cccc(Br)c1CN1CCC(O)CC1 ZINC000862213971 646365103 /nfs/dbraw/zinc/36/51/03/646365103.db2.gz ZUJDAXWTFXRIMB-UHFFFAOYSA-N 0 1 286.169 2.111 20 10 CECDMN CCc1nc(CN2CCCc3cc(OC)ccc32)n[nH]1 ZINC000771754519 646548105 /nfs/dbraw/zinc/54/81/05/646548105.db2.gz ZOQRHZJDRAIZNC-UHFFFAOYSA-N 0 1 272.352 2.329 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1CO ZINC000864050938 646871615 /nfs/dbraw/zinc/87/16/15/646871615.db2.gz VYWDYEPVSZCLHG-ONGXEEELSA-N 0 1 271.307 2.121 20 10 CECDMN C[C@@H](NC(=O)[C@@H]1CCCCN1C)c1ccc(N(C)C)cc1 ZINC000775402506 646950209 /nfs/dbraw/zinc/95/02/09/646950209.db2.gz DUDLSUAQDJCDGF-CJNGLKHVSA-N 0 1 289.423 2.414 20 10 CECDMN Cc1nnc2n1CCN(Cc1cc(Cl)cc(F)c1O)C2 ZINC000775685003 646980901 /nfs/dbraw/zinc/98/09/01/646980901.db2.gz XVAGAMYNGRSHHO-UHFFFAOYSA-N 0 1 296.733 2.100 20 10 CECDMN C[C@H](NCc1ccnc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000776168038 647030725 /nfs/dbraw/zinc/03/07/25/647030725.db2.gz AGBHIQJHHHPBDI-ZDUSSCGKSA-N 0 1 299.422 2.459 20 10 CECDMN OC[C@H]1CC(F)(F)CN1Cc1cc(Cl)cc(F)c1O ZINC000783702954 647749685 /nfs/dbraw/zinc/74/96/85/647749685.db2.gz MRJPQDIWCNUYHS-SECBINFHSA-N 0 1 295.688 2.387 20 10 CECDMN O=C(C1CC1)[C@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000788834050 648228677 /nfs/dbraw/zinc/22/86/77/648228677.db2.gz ZLAGDSQIKZJNCC-CYBMUJFWSA-N 0 1 295.766 2.226 20 10 CECDMN O=C(Nc1ccc2c(c1)OCO2)c1c(F)ccc(O)c1O ZINC000789942853 648360206 /nfs/dbraw/zinc/36/02/06/648360206.db2.gz RJGDXPCLZWEFKW-UHFFFAOYSA-N 0 1 291.234 2.218 20 10 CECDMN O=C(NOCc1ccccc1)c1c(F)ccc(O)c1O ZINC000789954521 648362095 /nfs/dbraw/zinc/36/20/95/648362095.db2.gz LLTUIHHRAZSTLK-UHFFFAOYSA-N 0 1 277.251 2.099 20 10 CECDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)CC1(CO)CC1 ZINC000792180231 648619755 /nfs/dbraw/zinc/61/97/55/648619755.db2.gz OQAWTTJPFCGLQS-UHFFFAOYSA-N 0 1 273.735 2.389 20 10 CECDMN COC(=O)[C@@H](NCc1c(O)ccc(Cl)c1F)C1CC1 ZINC000792180673 648620991 /nfs/dbraw/zinc/62/09/91/648620991.db2.gz RNZDDJXNGBRMMB-LBPRGKRZSA-N 0 1 287.718 2.226 20 10 CECDMN CCCOc1ccc(CN[C@H]2CCS(=O)(=O)C2)cc1C ZINC000873008762 649530543 /nfs/dbraw/zinc/53/05/43/649530543.db2.gz CLXQPOMSWAHSIK-AWEZNQCLSA-N 0 1 297.420 2.061 20 10 CECDMN CCCOc1ccc(CNCc2c[nH]nn2)cc1C ZINC000873140638 649568086 /nfs/dbraw/zinc/56/80/86/649568086.db2.gz RTBSWCZQURQSCC-UHFFFAOYSA-N 0 1 260.341 2.192 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@H]2C[C@H](O)C2)c(Cl)c1 ZINC000873178425 649579848 /nfs/dbraw/zinc/57/98/48/649579848.db2.gz RUSDEAZSRJFBHS-MGCOHNPYSA-N 0 1 255.745 2.215 20 10 CECDMN COc1cccc(CN[C@@H](C)c2nccnc2C)c1O ZINC000873188497 649583123 /nfs/dbraw/zinc/58/31/23/649583123.db2.gz IQFVTWLUWQXRRR-NSHDSACASA-N 0 1 273.336 2.350 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c1[O-] ZINC000880145156 651391976 /nfs/dbraw/zinc/39/19/76/651391976.db2.gz HZCDCZPKGOHTCN-LBPRGKRZSA-N 0 1 295.354 2.327 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(C)(C)O)C2)c1[O-] ZINC000880145156 651391977 /nfs/dbraw/zinc/39/19/77/651391977.db2.gz HZCDCZPKGOHTCN-LBPRGKRZSA-N 0 1 295.354 2.327 20 10 CECDMN C[NH+](C)CCn1cc(NCc2cc(F)cc(F)c2[O-])cn1 ZINC000882967062 652294402 /nfs/dbraw/zinc/29/44/02/652294402.db2.gz VBFRNARPZUXTEB-UHFFFAOYSA-N 0 1 296.321 2.041 20 10 CECDMN CC(C)NC(=O)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000134491700 652847391 /nfs/dbraw/zinc/84/73/91/652847391.db2.gz OTBZTRUMGXNNFS-UHFFFAOYSA-N 0 1 270.760 2.050 20 10 CECDMN CN1CCN(c2ccc(CNc3cncc(N)c3)cc2)CC1 ZINC001167434861 802812623 /nfs/dbraw/zinc/81/26/23/802812623.db2.gz WQYQEXNCWLSYHR-UHFFFAOYSA-N 0 1 297.406 2.028 20 10 CECDMN COc1cc(O)c(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)c(OC)c1 ZINC001141032002 803670089 /nfs/dbraw/zinc/67/00/89/803670089.db2.gz PUMMTBJSHACRII-MEDUHNTESA-N 0 1 295.379 2.002 20 10 CECDMN C[C@@H](NCc1ccccc1O)c1nnc2ccccn21 ZINC000036968882 814959062 /nfs/dbraw/zinc/95/90/62/814959062.db2.gz XFTWUHJHRMEWQF-LLVKDONJSA-N 0 1 268.320 2.286 20 10 CECDMN COc1ccc(N2CCC([NH2+]Cc3ccn[nH]3)CC2)cc1 ZINC000066992268 804483493 /nfs/dbraw/zinc/48/34/93/804483493.db2.gz UOXYEHFUHQOTBS-UHFFFAOYSA-N 0 1 286.379 2.177 20 10 CECDMN COc1ccc(CNCc2ccc3c(c2)CCO3)cn1 ZINC000037362896 815147300 /nfs/dbraw/zinc/14/73/00/815147300.db2.gz JEVYDNXPFKFMDS-UHFFFAOYSA-N 0 1 270.332 2.315 20 10 CECDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c(Cl)c1 ZINC001236797196 808166641 /nfs/dbraw/zinc/16/66/41/808166641.db2.gz CYMJMFTUCQEHCD-YMTOWFKASA-N 0 1 285.771 2.257 20 10 CECDMN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c(Cl)c1 ZINC001236797196 808166646 /nfs/dbraw/zinc/16/66/46/808166646.db2.gz CYMJMFTUCQEHCD-YMTOWFKASA-N 0 1 285.771 2.257 20 10 CECDMN COCC[N@H+](CCF)Cc1ccc(F)c(F)c1[O-] ZINC000703586301 809666637 /nfs/dbraw/zinc/66/66/37/809666637.db2.gz PQQTXYYEKGBSFL-UHFFFAOYSA-N 0 1 263.259 2.088 20 10 CECDMN COCC[N@@H+](CCF)Cc1ccc(F)c(F)c1[O-] ZINC000703586301 809666639 /nfs/dbraw/zinc/66/66/39/809666639.db2.gz PQQTXYYEKGBSFL-UHFFFAOYSA-N 0 1 263.259 2.088 20 10 CECDMN [O-]c1cccc(Br)c1C[NH2+]CCn1cccn1 ZINC000706809040 809855937 /nfs/dbraw/zinc/85/59/37/809855937.db2.gz JGCWMECBDQRLJY-UHFFFAOYSA-N 0 1 296.168 2.141 20 10 CECDMN CN1CCC[C@H]1C[NH2+]Cc1c([O-])cccc1Br ZINC000706855609 809857590 /nfs/dbraw/zinc/85/75/90/809857590.db2.gz IFLZOTOYDDSCBR-JTQLQIEISA-N 0 1 299.212 2.339 20 10 CECDMN CN1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706855630 809857961 /nfs/dbraw/zinc/85/79/61/809857961.db2.gz IOKZQZZPXAZRJW-SNVBAGLBSA-N 0 1 299.212 2.339 20 10 CECDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CN2CCC1CC2 ZINC000708421063 809929724 /nfs/dbraw/zinc/92/97/24/809929724.db2.gz BYKYGDWQRHFFJM-AWEZNQCLSA-N 0 1 282.334 2.196 20 10 CECDMN [O-]c1c(F)cc(F)cc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000708481628 809929916 /nfs/dbraw/zinc/92/99/16/809929916.db2.gz RWSXYHXSFWCBFA-KGLIPLIRSA-N 0 1 282.334 2.387 20 10 CECDMN [O-]c1c(F)cc(F)cc1CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000708481628 809929920 /nfs/dbraw/zinc/92/99/20/809929920.db2.gz RWSXYHXSFWCBFA-KGLIPLIRSA-N 0 1 282.334 2.387 20 10 CECDMN C[C@@H](CCO)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691454910 811858579 /nfs/dbraw/zinc/85/85/79/811858579.db2.gz NCKABJTUPNEMMF-VIFPVBQESA-N 0 1 288.185 2.263 20 10 CECDMN Oc1cc(O)c(CN2CCCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001144504186 814092846 /nfs/dbraw/zinc/09/28/46/814092846.db2.gz NJYKCRFKEIPPKS-GFCCVEGCSA-N 0 1 291.269 2.373 20 10 CECDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC001138131091 815736890 /nfs/dbraw/zinc/73/68/90/815736890.db2.gz PJPZFBVOANAXKO-LLVKDONJSA-N 0 1 281.327 2.306 20 10 CECDMN CN1CCCc2cc(CN3C[C@H](F)C[C@H](CO)C3)ccc21 ZINC001138354840 815774722 /nfs/dbraw/zinc/77/47/22/815774722.db2.gz WMMPPJJLLSNSPI-GOEBONIOSA-N 0 1 292.398 2.221 20 10 CECDMN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1F ZINC001138495374 815816549 /nfs/dbraw/zinc/81/65/49/815816549.db2.gz IFLBTJIBRABRRP-CJNGLKHVSA-N 0 1 278.371 2.313 20 10 CECDMN CC[N@H+](Cc1c([O-])ccc2c(C)cc(=O)oc21)C1COC1 ZINC001139129673 815965110 /nfs/dbraw/zinc/96/51/10/815965110.db2.gz CDJWSKYBWVBHPD-UHFFFAOYSA-N 0 1 289.331 2.028 20 10 CECDMN CC[N@@H+](Cc1c([O-])ccc2c(C)cc(=O)oc21)C1COC1 ZINC001139129673 815965115 /nfs/dbraw/zinc/96/51/15/815965115.db2.gz CDJWSKYBWVBHPD-UHFFFAOYSA-N 0 1 289.331 2.028 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCCC2(COC2)C1 ZINC001139680721 816080298 /nfs/dbraw/zinc/08/02/98/816080298.db2.gz ALRBAHMVKOGCEX-UHFFFAOYSA-N 0 1 269.291 2.283 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001139686040 816082387 /nfs/dbraw/zinc/08/23/87/816082387.db2.gz LAQFLCXXIDCVKW-LPQAMYBRSA-N 0 1 281.302 2.280 20 10 CECDMN C[N@H+]1CCC[C@H]2CN(Cc3c(F)ccc(F)c3[O-])C[C@@H]21 ZINC001139687559 816083126 /nfs/dbraw/zinc/08/31/26/816083126.db2.gz OZVAEHMUOPDUBH-HZMBPMFUSA-N 0 1 282.334 2.196 20 10 CECDMN CN1CCC[C@H]2C[N@H+](Cc3c(F)ccc(F)c3[O-])C[C@@H]21 ZINC001139687559 816083133 /nfs/dbraw/zinc/08/31/33/816083133.db2.gz OZVAEHMUOPDUBH-HZMBPMFUSA-N 0 1 282.334 2.196 20 10 CECDMN CN1CCC[C@H]2C[N@@H+](Cc3c(F)ccc(F)c3[O-])C[C@@H]21 ZINC001139687559 816083142 /nfs/dbraw/zinc/08/31/42/816083142.db2.gz OZVAEHMUOPDUBH-HZMBPMFUSA-N 0 1 282.334 2.196 20 10 CECDMN O=C1NC[C@]2(CCCN(Cc3c(O)cccc3Cl)C2)O1 ZINC001140341256 816237964 /nfs/dbraw/zinc/23/79/64/816237964.db2.gz HBOIYWHPFKGBTC-AWEZNQCLSA-N 0 1 296.754 2.120 20 10 CECDMN O=C1NC[C@]2(CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)O1 ZINC001140341256 816237970 /nfs/dbraw/zinc/23/79/70/816237970.db2.gz HBOIYWHPFKGBTC-AWEZNQCLSA-N 0 1 296.754 2.120 20 10 CECDMN O=C1NC[C@]2(CCC[N@H+](Cc3c([O-])cccc3Cl)C2)O1 ZINC001140341256 816237977 /nfs/dbraw/zinc/23/79/77/816237977.db2.gz HBOIYWHPFKGBTC-AWEZNQCLSA-N 0 1 296.754 2.120 20 10 CECDMN C[C@H]1C[C@H](O)CC[N@@H+]1Cc1c([O-])cccc1Cl ZINC001140341572 816238950 /nfs/dbraw/zinc/23/89/50/816238950.db2.gz WVJVHMFFCXMHQB-VHSXEESVSA-N 0 1 255.745 2.391 20 10 CECDMN C[C@H]1C[C@H](O)CC[N@H+]1Cc1c([O-])cccc1Cl ZINC001140341572 816238954 /nfs/dbraw/zinc/23/89/54/816238954.db2.gz WVJVHMFFCXMHQB-VHSXEESVSA-N 0 1 255.745 2.391 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H](CO)C1 ZINC001140461044 816258934 /nfs/dbraw/zinc/25/89/34/816258934.db2.gz CIALUHRQQUCHOK-JTQLQIEISA-N 0 1 255.745 2.250 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC001140461044 816258938 /nfs/dbraw/zinc/25/89/38/816258938.db2.gz CIALUHRQQUCHOK-JTQLQIEISA-N 0 1 255.745 2.250 20 10 CECDMN COC(=O)[C@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]1C ZINC001140468467 816262860 /nfs/dbraw/zinc/26/28/60/816262860.db2.gz MCGLFRJSJDIXCX-CABZTGNLSA-N 0 1 283.755 2.287 20 10 CECDMN COC(=O)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]1C ZINC001140468467 816262863 /nfs/dbraw/zinc/26/28/63/816262863.db2.gz MCGLFRJSJDIXCX-CABZTGNLSA-N 0 1 283.755 2.287 20 10 CECDMN C[C@@H]1C[C@H](O)CC[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140583285 816290561 /nfs/dbraw/zinc/29/05/61/816290561.db2.gz CUYGHWGOFAGTGA-PSASIEDQSA-N 0 1 257.280 2.016 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001140582226 816291618 /nfs/dbraw/zinc/29/16/18/816291618.db2.gz FERDCYFBJOKJSZ-CQSZACIVSA-N 0 1 269.291 2.425 20 10 CECDMN C[C@H]1C[N@@H+](Cc2c([O-])cc(F)cc2F)CC[C@@]1(C)O ZINC001140582361 816291675 /nfs/dbraw/zinc/29/16/75/816291675.db2.gz HBWWBBJBUDHFDN-LKFCYVNXSA-N 0 1 271.307 2.263 20 10 CECDMN COC(=O)CC[C@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583866 816292898 /nfs/dbraw/zinc/29/28/98/816292898.db2.gz WQSYCEIZHDBTCF-JTQLQIEISA-N 0 1 299.317 2.446 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001140584514 816293927 /nfs/dbraw/zinc/29/39/27/816293927.db2.gz UZDNRXPMVMSREM-FHYCKABGSA-N 0 1 281.302 2.280 20 10 CECDMN Cc1ccc(O)c(CN2CCC(=O)[C@@H](F)CC2)c1 ZINC001140619324 816305068 /nfs/dbraw/zinc/30/50/68/816305068.db2.gz AQQSEACYESBMCD-LBPRGKRZSA-N 0 1 251.301 2.204 20 10 CECDMN C[C@@H]1CCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140660168 816315090 /nfs/dbraw/zinc/31/50/90/816315090.db2.gz HZRASYMAAXHGKQ-GFCCVEGCSA-N 0 1 264.344 2.257 20 10 CECDMN C[C@@H]1C[C@@H](F)CN1Cc1ccc2c(c1)OCCN2C ZINC001141141534 816484471 /nfs/dbraw/zinc/48/44/71/816484471.db2.gz ZTUIKVLVUQEZFJ-DGCLKSJQSA-N 0 1 264.344 2.448 20 10 CECDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001142508567 816677835 /nfs/dbraw/zinc/67/78/35/816677835.db2.gz CZFRKVCKAZBHBF-SECBINFHSA-N 0 1 293.260 2.120 20 10 CECDMN CCC[NH+]1C[C@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@@H]2C1 ZINC001142531087 816680850 /nfs/dbraw/zinc/68/08/50/816680850.db2.gz PJBAJRAUVUCNLC-STQMWFEESA-N 0 1 296.361 2.444 20 10 CECDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001142531411 816682306 /nfs/dbraw/zinc/68/23/06/816682306.db2.gz WQLUHOZNMUSUGZ-LLVKDONJSA-N 0 1 299.317 2.398 20 10 CECDMN Cc1cc(C)c(CNC(=O)[C@@H]2CC3CCN2CC3)c(O)c1 ZINC001142637846 816698757 /nfs/dbraw/zinc/69/87/57/816698757.db2.gz RVDCBSCUXQZVFI-HNNXBMFYSA-N 0 1 288.391 2.110 20 10 CECDMN CC(C)(C)c1cccc(CN2CCNC(=O)CC2)c1O ZINC001143103326 816785829 /nfs/dbraw/zinc/78/58/29/816785829.db2.gz AHQNKZRHVXXPNN-UHFFFAOYSA-N 0 1 276.380 2.012 20 10 CECDMN C[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCCCNC1=O ZINC000123894039 365643187 /nfs/dbraw/zinc/64/31/87/365643187.db2.gz IQNHRNGXEUZUEM-GFCCVEGCSA-N 0 1 282.771 2.146 20 10 CECDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCCCNC1=O ZINC000123894039 365643188 /nfs/dbraw/zinc/64/31/88/365643188.db2.gz IQNHRNGXEUZUEM-GFCCVEGCSA-N 0 1 282.771 2.146 20 10 CECDMN COCCN(Cc1ccccn1)Cc1ccccc1O ZINC000196205584 344524146 /nfs/dbraw/zinc/52/41/46/344524146.db2.gz RKKQWCXWJQMYEF-UHFFFAOYSA-N 0 1 272.348 2.436 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000152757287 366713232 /nfs/dbraw/zinc/71/32/32/366713232.db2.gz HHYFRTAETOBUOW-WZRBSPASSA-N 0 1 253.729 2.455 20 10 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CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825384893 635628818 /nfs/dbraw/zinc/62/88/18/635628818.db2.gz LIBKUUGZPQZSGF-WCQYABFASA-N 0 1 296.798 2.358 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C[S@@](C)=O)cc1Cl ZINC000825498103 635646939 /nfs/dbraw/zinc/64/69/39/635646939.db2.gz VJEXKPKCKMDXFQ-HUTHGQBESA-N 0 1 275.801 2.211 20 10 CECDMN Cc1cc([O-])c(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)cc1Cl ZINC000826096981 635760658 /nfs/dbraw/zinc/76/06/58/635760658.db2.gz KRSAEOYARMCVQM-FZMZJTMJSA-N 0 1 299.798 2.326 20 10 CECDMN Cc1cc([O-])c(C[N@H+](CCO)[C@H]2CCO[C@H]2C)cc1Cl ZINC000826096981 635760663 /nfs/dbraw/zinc/76/06/63/635760663.db2.gz KRSAEOYARMCVQM-FZMZJTMJSA-N 0 1 299.798 2.326 20 10 CECDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1COCCO1 ZINC000827141558 636232863 /nfs/dbraw/zinc/23/28/63/636232863.db2.gz UKNXCXWXBKELKG-LLVKDONJSA-N 0 1 289.734 2.032 20 10 CECDMN C[C@H](O)C1([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000827580489 636358588 /nfs/dbraw/zinc/35/85/88/636358588.db2.gz 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CC(=O)c1cc(Cl)cc(CN2CC[C@H]([NH3+])[C@@H]2C)c1[O-] ZINC000842474739 640073922 /nfs/dbraw/zinc/07/39/22/640073922.db2.gz CQNVGJNOZOOTPQ-SDBXPKJASA-N 0 1 282.771 2.170 20 10 CECDMN CCOc1ccc(N(C)Cc2nc(C(C)(C)N)no2)cc1 ZINC000843358915 640402848 /nfs/dbraw/zinc/40/28/48/640402848.db2.gz DJEPKBYSHJIXJR-UHFFFAOYSA-N 0 1 290.367 2.299 20 10 CECDMN C[C@H]([NH2+][C@H](CO)CCF)c1ccc(Cl)cc1[O-] ZINC000846209987 641223175 /nfs/dbraw/zinc/22/31/75/641223175.db2.gz VEPJRASIVAFROI-WPRPVWTQSA-N 0 1 261.724 2.417 20 10 CECDMN CCN(C)c1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000846227234 641234991 /nfs/dbraw/zinc/23/49/91/641234991.db2.gz KKLOJHRXGQJYKP-CYBMUJFWSA-N 0 1 262.353 2.049 20 10 CECDMN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179566398 641365765 /nfs/dbraw/zinc/36/57/65/641365765.db2.gz VMRCWFPFDRMMBU-CQSZACIVSA-N 0 1 276.380 2.130 20 10 CECDMN COc1ccc(CNCc2cc(OC)cnc2F)c(O)c1 ZINC000877493358 650749418 /nfs/dbraw/zinc/74/94/18/650749418.db2.gz KSSNKVYHLGZYQL-UHFFFAOYSA-N 0 1 292.310 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CECDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(CCO)CCOC2)cc1Cl ZINC000825341566 635620973 /nfs/dbraw/zinc/62/09/73/635620973.db2.gz OFYVMYIHNQZOMV-OAHLLOKOSA-N 0 1 299.798 2.233 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cc1Cl ZINC000825429645 635637594 /nfs/dbraw/zinc/63/75/94/635637594.db2.gz NTFRZCKLANHOHQ-LLVKDONJSA-N 0 1 294.782 2.207 20 10 CECDMN C[N@H+](Cc1ccc(Br)cc1[O-])C1CC(O)C1 ZINC000825514663 635650530 /nfs/dbraw/zinc/65/05/30/635650530.db2.gz ROHFDEYIOTWTLT-UHFFFAOYSA-N 0 1 286.169 2.110 20 10 CECDMN C[N@@H+](Cc1ccc(Br)cc1[O-])C1CC(O)C1 ZINC000825514663 635650532 /nfs/dbraw/zinc/65/05/32/635650532.db2.gz ROHFDEYIOTWTLT-UHFFFAOYSA-N 0 1 286.169 2.110 20 10 CECDMN CN(C)c1ccc(CN(C)C(=O)c2coc(CN)c2)cc1 ZINC000825942796 635736965 /nfs/dbraw/zinc/73/69/65/635736965.db2.gz LAANAQOKPHOFLK-UHFFFAOYSA-N 0 1 287.363 2.077 20 10 CECDMN CC[N@@H+](Cc1ccc(Br)cc1[O-])[C@@H](C)CO ZINC000826015760 635746580 /nfs/dbraw/zinc/74/65/80/635746580.db2.gz BIMNULNPYLBUOQ-VIFPVBQESA-N 0 1 288.185 2.357 20 10 CECDMN CC[N@@H+](Cc1ccc(Br)cc1O)[C@@H](C)CO ZINC000826015760 635746571 /nfs/dbraw/zinc/74/65/71/635746571.db2.gz BIMNULNPYLBUOQ-VIFPVBQESA-N 0 1 288.185 2.357 20 10 CECDMN CC[N@H+](Cc1ccc(Br)cc1[O-])[C@@H](C)CO ZINC000826015760 635746575 /nfs/dbraw/zinc/74/65/75/635746575.db2.gz BIMNULNPYLBUOQ-VIFPVBQESA-N 0 1 288.185 2.357 20 10 CECDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@]1(C)CO ZINC000827699847 636398348 /nfs/dbraw/zinc/39/83/48/636398348.db2.gz MYSLQCFPNLNUAT-IINYFYTJSA-N 0 1 269.772 2.496 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2COCC2(C)C)c1[O-] ZINC000832164934 637510000 /nfs/dbraw/zinc/51/00/00/637510000.db2.gz FLAJDUNLFYXKEL-CYBMUJFWSA-N 0 1 281.327 2.249 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](CCCO)C2)c1[O-] ZINC000832783673 637670295 /nfs/dbraw/zinc/67/02/95/637670295.db2.gz SVAZVVHIJQKWIX-LBPRGKRZSA-N 0 1 295.354 2.328 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](CCCO)C2)c1[O-] ZINC000832783673 637670297 /nfs/dbraw/zinc/67/02/97/637670297.db2.gz SVAZVVHIJQKWIX-LBPRGKRZSA-N 0 1 295.354 2.328 20 10 CECDMN CC[N@@H+](CCC(=O)OC)Cc1ccc(F)c(F)c1[O-] ZINC000876630642 650367719 /nfs/dbraw/zinc/36/77/19/650367719.db2.gz GXJVSLRZJOLCQM-UHFFFAOYSA-N 0 1 273.279 2.055 20 10 CECDMN CN(C)c1ccc(/C=C\CN2CC[C@@](O)(C(F)F)C2)cc1 ZINC000835053111 638040421 /nfs/dbraw/zinc/04/04/21/638040421.db2.gz BCQIUEOFUJYESF-QGZUEGPWSA-N 0 1 296.361 2.468 20 10 CECDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1c(C)cccc1O ZINC000876764370 650424734 /nfs/dbraw/zinc/42/47/34/650424734.db2.gz MGILTILKGMZRIH-LBPRGKRZSA-N 0 1 263.337 2.228 20 10 CECDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000164233225 639355972 /nfs/dbraw/zinc/35/59/72/639355972.db2.gz BWSMVPALEOBBMB-ZYHUDNBSSA-N 0 1 286.169 2.158 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000227439301 639590835 /nfs/dbraw/zinc/59/08/35/639590835.db2.gz JBNLOUDFNSZFES-SECBINFHSA-N 0 1 269.650 2.058 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CC2([S@](C)=O)CC2)c(Cl)c1 ZINC000840942418 639595433 /nfs/dbraw/zinc/59/54/33/639595433.db2.gz LNCDRDLEBVZSMB-SFHVURJKSA-N 0 1 287.812 2.355 20 10 CECDMN O=C([O-])[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000840997674 639611897 /nfs/dbraw/zinc/61/18/97/639611897.db2.gz ZECMCVOUXFBBQZ-QMMMGPOBSA-N 0 1 287.718 2.481 20 10 CECDMN O=C([O-])[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000840997674 639611899 /nfs/dbraw/zinc/61/18/99/639611899.db2.gz ZECMCVOUXFBBQZ-QMMMGPOBSA-N 0 1 287.718 2.481 20 10 CECDMN Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841753982 639858592 /nfs/dbraw/zinc/85/85/92/639858592.db2.gz OWGXGICWCBKZIO-MRVPVSSYSA-N 0 1 280.759 2.365 20 10 CECDMN CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1O ZINC000843041274 640248026 /nfs/dbraw/zinc/24/80/26/640248026.db2.gz PHGWFDRLDVVRHH-DGCLKSJQSA-N 0 1 293.363 2.334 20 10 CECDMN CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c(O)c1 ZINC000843041151 640248134 /nfs/dbraw/zinc/24/81/34/640248134.db2.gz OZNHDSIJQCEQCB-SMDDNHRTSA-N 0 1 293.363 2.334 20 10 CECDMN C[NH2+]C[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000843053305 640256624 /nfs/dbraw/zinc/25/66/24/640256624.db2.gz UTMMNXVVAASPCV-SNVBAGLBSA-N 0 1 254.761 2.087 20 10 CECDMN C[N@H+](Cc1cccc(Cl)c1[O-])C1(CN)CCC1 ZINC000843124691 640290361 /nfs/dbraw/zinc/29/03/61/640290361.db2.gz FLKZYJXHISIWKY-UHFFFAOYSA-N 0 1 254.761 2.359 20 10 CECDMN C[N@@H+](Cc1cccc(Cl)c1[O-])C1(CN)CCC1 ZINC000843124691 640290368 /nfs/dbraw/zinc/29/03/68/640290368.db2.gz FLKZYJXHISIWKY-UHFFFAOYSA-N 0 1 254.761 2.359 20 10 CECDMN C[NH2+]C[C@@H]1CCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000843352639 640400385 /nfs/dbraw/zinc/40/03/85/640400385.db2.gz JLVITOOFAKARNN-ZDUSSCGKSA-N 0 1 296.798 2.432 20 10 CECDMN Cc1c(NCc2ccc(F)c(F)c2O)cnn1C ZINC000877133676 650588960 /nfs/dbraw/zinc/58/89/60/650588960.db2.gz GNFVUZLCBDBJFK-UHFFFAOYSA-N 0 1 253.252 2.324 20 10 CECDMN COc1ccc(N(C)CC[N@@H+](C)CCCCC(=O)[O-])cc1 ZINC000844839852 640850276 /nfs/dbraw/zinc/85/02/76/640850276.db2.gz ZEOBCQVCKZXOLL-UHFFFAOYSA-N 0 1 294.395 2.318 20 10 CECDMN C[C@@H](CCO)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000846109538 641184741 /nfs/dbraw/zinc/18/47/41/641184741.db2.gz FDGZNQAKSSILIT-QMMMGPOBSA-N 0 1 288.731 2.157 20 10 CECDMN C[C@@H]([NH2+]CCN1CCCC1=O)c1cc(Cl)ccc1[O-] ZINC000846206230 641220867 /nfs/dbraw/zinc/22/08/67/641220867.db2.gz ODNVQCXCJSPCEQ-SNVBAGLBSA-N 0 1 282.771 2.319 20 10 CECDMN NCc1ccc(C(=O)NCCCSc2nccs2)o1 ZINC000237909481 641400216 /nfs/dbraw/zinc/40/02/16/641400216.db2.gz ZQHKDZKQUQUCNU-UHFFFAOYSA-N 0 1 297.405 2.107 20 10 CECDMN CCc1cccc(CN2CC[C@@H](C)[S@@](=O)CC2)c1O ZINC000848905681 642182717 /nfs/dbraw/zinc/18/27/17/642182717.db2.gz LFHNILJNSCQYHG-BLVKFPJESA-N 0 1 281.421 2.298 20 10 CECDMN CCc1cccc(CN(C)C[C@@H](O)C(F)(F)F)c1O ZINC000848912861 642187677 /nfs/dbraw/zinc/18/76/77/642187677.db2.gz XXESTCQIIGETFL-LLVKDONJSA-N 0 1 277.286 2.310 20 10 CECDMN CCc1cccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c1O ZINC000848916251 642189505 /nfs/dbraw/zinc/18/95/05/642189505.db2.gz RIAFIGOERZJWIE-UHFFFAOYSA-N 0 1 272.352 2.240 20 10 CECDMN COc1ccc(O)c(CNCc2c(Cl)c(C)nn2C)c1 ZINC000921741763 642569298 /nfs/dbraw/zinc/56/92/98/642569298.db2.gz ZZSHQADMMHDDHE-UHFFFAOYSA-N 0 1 295.770 2.386 20 10 CECDMN C[C@H]([NH2+]C/C=C\CO)c1ccc(Br)cc1[O-] ZINC000850507912 642735042 /nfs/dbraw/zinc/73/50/42/642735042.db2.gz IXKQIKFBZNZGSM-XADBCAIWSA-N 0 1 286.169 2.354 20 10 CECDMN COc1cccnc1CNCc1c(C)cccc1O ZINC000877574145 650796056 /nfs/dbraw/zinc/79/60/56/650796056.db2.gz BJBWUYHNXBFAPH-UHFFFAOYSA-N 0 1 258.321 2.394 20 10 CECDMN CON1CCC([N@@H+](C)Cc2ccc(C)cc2O)CC1 ZINC000877579162 650798138 /nfs/dbraw/zinc/79/81/38/650798138.db2.gz NEGABCNVLQRHQS-UHFFFAOYSA-N 0 1 264.369 2.158 20 10 CECDMN Oc1c(CN2CC(OC(F)F)C2)ccc(F)c1F ZINC000877581743 650800062 /nfs/dbraw/zinc/80/00/62/650800062.db2.gz QMIIRTOHANGSCU-UHFFFAOYSA-N 0 1 265.206 2.094 20 10 CECDMN [O-]c1c(C[N@H+]2C[C@@H]3C[C@H]2CS3)ccc(F)c1F ZINC000877586774 650801541 /nfs/dbraw/zinc/80/15/41/650801541.db2.gz RPYHJCXNHPCZFI-IUCAKERBSA-N 0 1 257.305 2.360 20 10 CECDMN Cc1cc(CC[NH2+]Cc2cc(Cl)ccc2[O-])nn1C ZINC000922690439 643206034 /nfs/dbraw/zinc/20/60/34/643206034.db2.gz WAGWUJCKHSSOJR-UHFFFAOYSA-N 0 1 279.771 2.420 20 10 CECDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1(CO)CCC1 ZINC000877641665 650830155 /nfs/dbraw/zinc/83/01/55/650830155.db2.gz DNMGGJZOYDGWCY-UHFFFAOYSA-N 0 1 257.280 2.017 20 10 CECDMN Oc1cccc2c1CN(Cc1cc3c(cc1O)OCO3)C2 ZINC000877703560 650860522 /nfs/dbraw/zinc/86/05/22/650860522.db2.gz OMURZWVWWBGYKA-UHFFFAOYSA-N 0 1 285.299 2.342 20 10 CECDMN C[C@H]1C[C@H](C)CN(C(=O)CN(C)Cc2ccccc2O)C1 ZINC000111236501 643734339 /nfs/dbraw/zinc/73/43/39/643734339.db2.gz NGMNSPGTJYXLGY-KBPBESRZSA-N 0 1 290.407 2.329 20 10 CECDMN Cc1cc(O)c(CN2CCc3nccnc3C2)cc1C ZINC000853601885 643830286 /nfs/dbraw/zinc/83/02/86/643830286.db2.gz BDBCVRYKWYURIM-UHFFFAOYSA-N 0 1 269.348 2.357 20 10 CECDMN CC(C)C1(O)CN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000839133261 644170422 /nfs/dbraw/zinc/17/04/22/644170422.db2.gz NKFRDXZKABGDNW-UHFFFAOYSA-N 0 1 273.735 2.387 20 10 CECDMN C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000756535698 644659643 /nfs/dbraw/zinc/65/96/43/644659643.db2.gz PUYJDHVVGCDDSJ-NWDGAFQWSA-N 0 1 298.814 2.417 20 10 CECDMN C[C@H]([NH2+]Cc1cocn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756832774 644697704 /nfs/dbraw/zinc/69/77/04/644697704.db2.gz SXGGWGVDQNEKKA-QMMMGPOBSA-N 0 1 263.253 2.139 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1[O-] ZINC000839668894 644764049 /nfs/dbraw/zinc/76/40/49/644764049.db2.gz JZVFRRIFDSJDPF-CMPLNLGQSA-N 0 1 295.354 2.327 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1[O-] ZINC000839668894 644764055 /nfs/dbraw/zinc/76/40/55/644764055.db2.gz JZVFRRIFDSJDPF-CMPLNLGQSA-N 0 1 295.354 2.327 20 10 CECDMN CC(=O)c1cc(F)cc(CN2CCC[C@H](CO)[C@@H]2C)c1O ZINC000839668894 644764057 /nfs/dbraw/zinc/76/40/57/644764057.db2.gz JZVFRRIFDSJDPF-CMPLNLGQSA-N 0 1 295.354 2.327 20 10 CECDMN C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1CO ZINC000857061646 644806171 /nfs/dbraw/zinc/80/61/71/644806171.db2.gz SVEUIABNSKDXOG-MNOVXSKESA-N 0 1 269.772 2.496 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1CO ZINC000857061646 644806174 /nfs/dbraw/zinc/80/61/74/644806174.db2.gz SVEUIABNSKDXOG-MNOVXSKESA-N 0 1 269.772 2.496 20 10 CECDMN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839759060 644809469 /nfs/dbraw/zinc/80/94/69/644809469.db2.gz JJRYWZHBUBREOI-CHWSQXEVSA-N 0 1 292.335 2.186 20 10 CECDMN CC[C@@H]([NH2+]C[C@H]1COCCN1C)c1cc(Cl)ccc1[O-] ZINC000858522827 645190749 /nfs/dbraw/zinc/19/07/49/645190749.db2.gz IHGAIRJYPPZJLL-GXTWGEPZSA-N 0 1 298.814 2.417 20 10 CECDMN C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000763559465 645557807 /nfs/dbraw/zinc/55/78/07/645557807.db2.gz QPGNUPFHWGBXJE-XHDPSFHLSA-N 0 1 297.370 2.360 20 10 CECDMN COC(=O)[C@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000862419205 646451660 /nfs/dbraw/zinc/45/16/60/646451660.db2.gz PAFMUMDDCVPEOL-JGZJWPJOSA-N 0 1 298.333 2.072 20 10 CECDMN C[C@](CO)(NCc1cc(F)ccc1O)c1cccc(O)c1 ZINC000862432439 646457442 /nfs/dbraw/zinc/45/74/42/646457442.db2.gz CMDRXUCTVJSTDT-MRXNPFEDSA-N 0 1 291.322 2.234 20 10 CECDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC000862441348 646460690 /nfs/dbraw/zinc/46/06/90/646460690.db2.gz QQUAXWLBNZBORO-OCAPTIKFSA-N 0 1 268.700 2.406 20 10 CECDMN C[C@H](NC(=O)c1[nH]nc2c1CCC2)c1ccc(N(C)C)cc1 ZINC000773019468 646696408 /nfs/dbraw/zinc/69/64/08/646696408.db2.gz XRKOXMOBTAAGEH-NSHDSACASA-N 0 1 298.390 2.455 20 10 CECDMN C[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000863546647 646753566 /nfs/dbraw/zinc/75/35/66/646753566.db2.gz MFHWZEHNOQRTKA-VWYCJHECSA-N 0 1 279.340 2.092 20 10 CECDMN CC[C@@H]([NH2+][C@@H](CCO)COC)c1cc(Cl)ccc1[O-] ZINC000775509669 646961477 /nfs/dbraw/zinc/96/14/77/646961477.db2.gz OGAZRLRUMZKZDR-WCQYABFASA-N 0 1 287.787 2.484 20 10 CECDMN CCC[N@@H+](CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775644008 646974796 /nfs/dbraw/zinc/97/47/96/646974796.db2.gz ZNMBOBQVTRNDTC-UHFFFAOYSA-N 0 1 261.724 2.389 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCSC[C@H]1CCO ZINC000775737496 646985583 /nfs/dbraw/zinc/98/55/83/646985583.db2.gz NHWCIVDHVUGFTE-LLVKDONJSA-N 0 1 287.812 2.345 20 10 CECDMN CCN(CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(OC)cc1 ZINC000775987419 647014811 /nfs/dbraw/zinc/01/48/11/647014811.db2.gz WEASUFUQZKNXIK-CALCHBBNSA-N 0 1 290.407 2.385 20 10 CECDMN C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000776521224 647067880 /nfs/dbraw/zinc/06/78/80/647067880.db2.gz MTEGTTYOVKBNKL-DCXZOGHSSA-N 0 1 293.791 2.384 20 10 CECDMN Cc1ccc(O)c(CN(C)CC(=O)NC(C)(C)C)c1 ZINC000120693193 647431172 /nfs/dbraw/zinc/43/11/72/647431172.db2.gz KDLYJENVCHAXKP-UHFFFAOYSA-N 0 1 264.369 2.047 20 10 CECDMN COc1cc(O)c(CN2C[C@H](C)O[C@@H](C)[C@H]2C)cc1OC ZINC000783545876 647728742 /nfs/dbraw/zinc/72/87/42/647728742.db2.gz VAWRVJXROFMYDR-TUAOUCFPSA-N 0 1 295.379 2.407 20 10 CECDMN COCCO[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000783714788 647750844 /nfs/dbraw/zinc/75/08/44/647750844.db2.gz CXPCUQDNJAKQMS-AWEZNQCLSA-N 0 1 296.386 2.129 20 10 CECDMN C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000866416660 647779980 /nfs/dbraw/zinc/77/99/80/647779980.db2.gz YZDHHFIEHNETBY-KKZNHRDASA-N 0 1 255.745 2.467 20 10 CECDMN Cc1conc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000790244990 648397242 /nfs/dbraw/zinc/39/72/42/648397242.db2.gz CVHBLYMLKYVMHM-UHFFFAOYSA-N 0 1 286.379 2.347 20 10 CECDMN C[C@H]1CN(Cc2cccc(Cl)c2O)C[C@H](C)S1=O ZINC000792192007 648622302 /nfs/dbraw/zinc/62/23/02/648622302.db2.gz IMXWYFSHDGEFBJ-UWVGGRQHSA-N 0 1 287.812 2.387 20 10 CECDMN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CCC1 ZINC000794688551 648903853 /nfs/dbraw/zinc/90/38/53/648903853.db2.gz OTRNOAMEGFOZTJ-OAHLLOKOSA-N 0 1 277.364 2.440 20 10 CECDMN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CCC1 ZINC000794688551 648903855 /nfs/dbraw/zinc/90/38/55/648903855.db2.gz OTRNOAMEGFOZTJ-OAHLLOKOSA-N 0 1 277.364 2.440 20 10 CECDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cnc(N)cn1 ZINC000873200644 649586293 /nfs/dbraw/zinc/58/62/93/649586293.db2.gz JVEKRZNPFVYIAT-UHFFFAOYSA-N 0 1 285.395 2.147 20 10 CECDMN CN(C)c1ccc(CN(Cc2cnc(N)cn2)C2CC2)cc1 ZINC000873202431 649587498 /nfs/dbraw/zinc/58/74/98/649587498.db2.gz REWROCOJOJBACT-UHFFFAOYSA-N 0 1 297.406 2.289 20 10 CECDMN CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000128336069 651420678 /nfs/dbraw/zinc/42/06/78/651420678.db2.gz NCNRIPJIRZTOBQ-RYUDHWBXSA-N 0 1 255.745 2.295 20 10 CECDMN CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000128336507 651421068 /nfs/dbraw/zinc/42/10/68/651421068.db2.gz NCNRIPJIRZTOBQ-NWDGAFQWSA-N 0 1 255.745 2.295 20 10 CECDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000884441909 652852956 /nfs/dbraw/zinc/85/29/56/652852956.db2.gz SHPNSGSKHSXUKF-ZUZCIYMTSA-N 0 1 284.363 2.321 20 10 CECDMN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142534792 806623742 /nfs/dbraw/zinc/62/37/42/806623742.db2.gz XDNSYVVMJOQMNO-CQSZACIVSA-N 0 1 285.290 2.055 20 10 CECDMN C[C@@H](CCN(C)C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703330729 809639957 /nfs/dbraw/zinc/63/99/57/809639957.db2.gz YNBQXIDPCYICNN-VIFPVBQESA-N 0 1 258.312 2.100 20 10 CECDMN [O-]c1c(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc(F)c1F ZINC000703347421 809643664 /nfs/dbraw/zinc/64/36/64/809643664.db2.gz JDEOFRJPUPBLHS-QWHCGFSZSA-N 0 1 282.334 2.387 20 10 CECDMN [O-]c1c(CN[C@H]2CC[N@H+]3CCCC[C@H]23)ccc(F)c1F ZINC000703347421 809643669 /nfs/dbraw/zinc/64/36/69/809643669.db2.gz JDEOFRJPUPBLHS-QWHCGFSZSA-N 0 1 282.334 2.387 20 10 CECDMN CC1(CC[NH2+]Cc2c([O-])cccc2Cl)OCCO1 ZINC000716006801 815027506 /nfs/dbraw/zinc/02/75/06/815027506.db2.gz LRIUDHDHFIRPTL-UHFFFAOYSA-N 0 1 271.744 2.288 20 10 CECDMN CN(C)c1ccc(/C=C/CN2CC(C)(CO)C2)cc1 ZINC000839145462 805559032 /nfs/dbraw/zinc/55/90/32/805559032.db2.gz LJMRWLMCEPMMAA-SNAWJCMRSA-N 0 1 260.381 2.080 20 10 CECDMN COC[C@H]1COCCN1Cc1cc(Cl)cc(F)c1O ZINC001237623399 808234533 /nfs/dbraw/zinc/23/45/33/808234533.db2.gz MSWYTLJDOIGXBQ-NSHDSACASA-N 0 1 289.734 2.032 20 10 CECDMN Cc1cc(F)cc(CN2CCC(F)(F)[C@H](CO)C2)c1O ZINC001238057097 808291339 /nfs/dbraw/zinc/29/13/39/808291339.db2.gz INROTMDYKPQZGE-NSHDSACASA-N 0 1 289.297 2.289 20 10 CECDMN CC(C)(C)c1cccc(CN2CCCNC(=O)C2)c1O ZINC001143103583 809018225 /nfs/dbraw/zinc/01/82/25/809018225.db2.gz FXYVSUYKIRFDGW-UHFFFAOYSA-N 0 1 276.380 2.012 20 10 CECDMN C[C@@H](CN(C)C)[NH2+]Cc1c([O-])cccc1Br ZINC000706863302 809858585 /nfs/dbraw/zinc/85/85/85/809858585.db2.gz BTLAXVLDRPFOKZ-VIFPVBQESA-N 0 1 287.201 2.194 20 10 CECDMN CCOCC[NH2+]Cc1c([O-])cccc1Br ZINC000706829910 809856364 /nfs/dbraw/zinc/85/63/64/809856364.db2.gz GWBABYXYOXWQNC-UHFFFAOYSA-N 0 1 274.158 2.281 20 10 CECDMN C[C@@H](CO)[C@@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706871965 809858683 /nfs/dbraw/zinc/85/86/83/809858683.db2.gz UIGGEXIAPKYMGQ-DTWKUNHWSA-N 0 1 288.185 2.261 20 10 CECDMN C[C@@H]1CO[C@@H](C)CN1Cc1cc(F)cc(F)c1O ZINC000708423565 809930279 /nfs/dbraw/zinc/93/02/79/809930279.db2.gz STFRECNRUKHWBE-BDAKNGLRSA-N 0 1 257.280 2.280 20 10 CECDMN CC[C@@H](C)OCC[C@H](C)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001172323156 815372092 /nfs/dbraw/zinc/37/20/92/815372092.db2.gz GISUKJWJTCWNNO-NWDGAFQWSA-N 0 1 295.379 2.464 20 10 CECDMN CC1=NO[C@H](C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000820265210 810550160 /nfs/dbraw/zinc/55/01/60/810550160.db2.gz LFHAQLMUXUTCEF-NSHDSACASA-N 0 1 299.168 2.409 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+]CC1(CO)CC1 ZINC000691427843 811657013 /nfs/dbraw/zinc/65/70/13/811657013.db2.gz HTLLNBDQBWEXOO-UHFFFAOYSA-N 0 1 286.169 2.017 20 10 CECDMN C[S@](=O)C1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000393695158 813326690 /nfs/dbraw/zinc/32/66/90/813326690.db2.gz BAEYSIBTJQXXIX-SFHVURJKSA-N 0 1 287.812 2.436 20 10 CECDMN C[S@@](=O)C1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000393695156 813326940 /nfs/dbraw/zinc/32/69/40/813326940.db2.gz BAEYSIBTJQXXIX-GOSISDBHSA-N 0 1 287.812 2.436 20 10 CECDMN Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)[nH]n1 ZINC001116323021 814845639 /nfs/dbraw/zinc/84/56/39/814845639.db2.gz ZREFKABUPQIFOO-UHFFFAOYSA-N 0 1 258.369 2.416 20 10 CECDMN CNc1ncccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001138696691 815871732 /nfs/dbraw/zinc/87/17/32/815871732.db2.gz XTXRDGAEQWOYAL-UHFFFAOYSA-N 0 1 269.348 2.387 20 10 CECDMN CNc1ncccc1CN1CCc2cccc(O)c2C1 ZINC001138696691 815871742 /nfs/dbraw/zinc/87/17/42/815871742.db2.gz XTXRDGAEQWOYAL-UHFFFAOYSA-N 0 1 269.348 2.387 20 10 CECDMN C[N@@H+](Cc1c([O-])cccc1Br)CC1COC1 ZINC001140101286 816189202 /nfs/dbraw/zinc/18/92/02/816189202.db2.gz PIJNEBZDGYDAIW-UHFFFAOYSA-N 0 1 286.169 2.233 20 10 CECDMN C[N@H+](Cc1c([O-])cccc1Br)CC1COC1 ZINC001140101286 816189205 /nfs/dbraw/zinc/18/92/05/816189205.db2.gz PIJNEBZDGYDAIW-UHFFFAOYSA-N 0 1 286.169 2.233 20 10 CECDMN O=C1NC[C@@]2(CCCN(Cc3c(O)cccc3Cl)C2)O1 ZINC001140341257 816237656 /nfs/dbraw/zinc/23/76/56/816237656.db2.gz HBOIYWHPFKGBTC-CQSZACIVSA-N 0 1 296.754 2.120 20 10 CECDMN O=C1NC[C@@]2(CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)O1 ZINC001140341257 816237662 /nfs/dbraw/zinc/23/76/62/816237662.db2.gz HBOIYWHPFKGBTC-CQSZACIVSA-N 0 1 296.754 2.120 20 10 CECDMN O=C1NC[C@@]2(CCC[N@H+](Cc3c([O-])cccc3Cl)C2)O1 ZINC001140341257 816237669 /nfs/dbraw/zinc/23/76/69/816237669.db2.gz HBOIYWHPFKGBTC-CQSZACIVSA-N 0 1 296.754 2.120 20 10 CECDMN CC(=O)N(C)[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140341993 816238645 /nfs/dbraw/zinc/23/86/45/816238645.db2.gz OFWMNSUPUGIDAS-NSHDSACASA-N 0 1 282.771 2.098 20 10 CECDMN CC(=O)N(C)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140341993 816238649 /nfs/dbraw/zinc/23/86/49/816238649.db2.gz OFWMNSUPUGIDAS-NSHDSACASA-N 0 1 282.771 2.098 20 10 CECDMN [O-]c1cc(Cl)ccc1C[NH+]1CC2(C1)CCOC2 ZINC001140461337 816260035 /nfs/dbraw/zinc/26/00/35/816260035.db2.gz IHNNHRMUXCTRNJ-UHFFFAOYSA-N 0 1 253.729 2.268 20 10 CECDMN C[C@H]1COCC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583025 816290615 /nfs/dbraw/zinc/29/06/15/816290615.db2.gz UHUQMNHFZPMHGB-SECBINFHSA-N 0 1 257.280 2.139 20 10 CECDMN C[C@H]1C[N@@H+](Cc2c([O-])cc(F)cc2F)CCCO1 ZINC001140582867 816291450 /nfs/dbraw/zinc/29/14/50/816291450.db2.gz OFQSZPHRGAECNF-VIFPVBQESA-N 0 1 257.280 2.281 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C[C@@]1(C)O ZINC001140583088 816292090 /nfs/dbraw/zinc/29/20/90/816292090.db2.gz VZBAJBXGVQRYKH-YMTOWFKASA-N 0 1 271.307 2.263 20 10 CECDMN O=C1CC[C@]2(CCC[N@H+](Cc3c([O-])cc(F)cc3F)C2)O1 ZINC001140584007 816293384 /nfs/dbraw/zinc/29/33/84/816293384.db2.gz BYRAJCYSUYHPNQ-HNNXBMFYSA-N 0 1 297.301 2.342 20 10 CECDMN COC(=O)[C@H]1CCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140922440 816410850 /nfs/dbraw/zinc/41/08/50/816410850.db2.gz QVJWFKIWHRWUPH-LBPRGKRZSA-N 0 1 296.798 2.401 20 10 CECDMN COC(=O)[C@H](C(C)C)N(C)Cc1ccc(C)cc1O ZINC001140957825 816426550 /nfs/dbraw/zinc/42/65/50/816426550.db2.gz OOAFVQHWMDZCKA-AWEZNQCLSA-N 0 1 265.353 2.330 20 10 CECDMN CC1(CO)CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074845 816469933 /nfs/dbraw/zinc/46/99/33/816469933.db2.gz VDEIZNKKWGQADE-UHFFFAOYSA-N 0 1 286.419 2.200 20 10 CECDMN Oc1ccc(O)c(CN2CCc3cc4c(cc3C2)OCO4)c1 ZINC001141156073 816489747 /nfs/dbraw/zinc/48/97/47/816489747.db2.gz DSHDCOQDGYLBET-UHFFFAOYSA-N 0 1 299.326 2.385 20 10 CECDMN CN(Cc1cccc2c1OCO2)Cc1cc(O)ccc1O ZINC001141162712 816492468 /nfs/dbraw/zinc/49/24/68/816492468.db2.gz ARRORXXIEZTLBD-UHFFFAOYSA-N 0 1 287.315 2.459 20 10 CECDMN C[C@@]1(O)CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142525044 816681126 /nfs/dbraw/zinc/68/11/26/816681126.db2.gz UXVNJGCJSBAXQS-CYBMUJFWSA-N 0 1 257.280 2.017 20 10 CECDMN C[C@@H](CCN(C)C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124755742 365659001 /nfs/dbraw/zinc/65/90/01/365659001.db2.gz SYLXHFHRYHNUMS-JTQLQIEISA-N 0 1 256.777 2.475 20 10 CECDMN C[C@@H](O)CC[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093481330 344224862 /nfs/dbraw/zinc/22/48/62/344224862.db2.gz MNVJGLKAZYLCEE-MRVPVSSYSA-N 0 1 288.731 2.157 20 10 CECDMN O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1O ZINC000086760118 179324554 /nfs/dbraw/zinc/32/45/54/179324554.db2.gz HZDHFSFCOFNRRJ-OAHLLOKOSA-N 0 1 283.327 2.404 20 10 CECDMN COCCC[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000092537090 364079711 /nfs/dbraw/zinc/07/97/11/364079711.db2.gz GCURIBSPTUHRPH-UHFFFAOYSA-N 0 1 288.731 2.422 20 10 CECDMN CCn1cc(CNCc2ccc(N(C)C)c(F)c2)cn1 ZINC000112097853 364773721 /nfs/dbraw/zinc/77/37/21/364773721.db2.gz VRASQNNXYZSPCC-UHFFFAOYSA-N 0 1 276.359 2.398 20 10 CECDMN CCOC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000113922793 364917455 /nfs/dbraw/zinc/91/74/55/364917455.db2.gz ZMPXYXFXLPNLPJ-GFCCVEGCSA-N 0 1 293.363 2.369 20 10 CECDMN CCNC(=O)CN(CC)Cc1cc(Cl)cc(C)c1O ZINC000179596016 368344902 /nfs/dbraw/zinc/34/49/02/368344902.db2.gz SFNQDEOUNIPWSK-UHFFFAOYSA-N 0 1 284.787 2.312 20 10 CECDMN C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc(F)ccc1[O-] ZINC000189299967 369493108 /nfs/dbraw/zinc/49/31/08/369493108.db2.gz QEFPFYJKQCYOSA-SCVCMEIPSA-N 0 1 253.317 2.343 20 10 CECDMN Cc1cc(O)ccc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000266394218 372045039 /nfs/dbraw/zinc/04/50/39/372045039.db2.gz CREPMMSKIBSNLW-UHFFFAOYSA-N 0 1 295.364 2.279 20 10 CECDMN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000268838973 372248112 /nfs/dbraw/zinc/24/81/12/372248112.db2.gz MTBSYKMQTRBGFK-LBPRGKRZSA-N 0 1 288.307 2.191 20 10 CECDMN Cc1ccc(O)c(CN2CC[S@@](=O)CC[C@H]2C)c1 ZINC000365444851 372861245 /nfs/dbraw/zinc/86/12/45/372861245.db2.gz AQNINEDDQNWKSG-XIKOKIGWSA-N 0 1 267.394 2.044 20 10 CECDMN COC(=O)[C@@]1(F)CCN(Cc2cccc(Cl)c2O)C1 ZINC000271879116 373202971 /nfs/dbraw/zinc/20/29/71/373202971.db2.gz UODSFTNXRYJYDO-CYBMUJFWSA-N 0 1 287.718 2.133 20 10 CECDMN COC(=O)[C@@]1(F)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000271879116 373202980 /nfs/dbraw/zinc/20/29/80/373202980.db2.gz UODSFTNXRYJYDO-CYBMUJFWSA-N 0 1 287.718 2.133 20 10 CECDMN COC(=O)[C@@]1(F)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000271879116 373202985 /nfs/dbraw/zinc/20/29/85/373202985.db2.gz UODSFTNXRYJYDO-CYBMUJFWSA-N 0 1 287.718 2.133 20 10 CECDMN O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000272561922 373553875 /nfs/dbraw/zinc/55/38/75/373553875.db2.gz BYKGZWSUZJGVIN-PZBABLGHSA-N 0 1 299.330 2.028 20 10 CECDMN COC[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1[O-])OC ZINC000273478233 373760738 /nfs/dbraw/zinc/76/07/38/373760738.db2.gz TXKLIWMSBLXKRB-KOLCDFICSA-N 0 1 273.760 2.358 20 10 CECDMN C[C@H](Cn1cncn1)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273595939 373766656 /nfs/dbraw/zinc/76/66/56/373766656.db2.gz QPNKBXPWGRBQPE-NXEZZACHSA-N 0 1 280.759 2.376 20 10 CECDMN C[C@@H]1OCC[C@]12C[N@@H+](Cc1cccc(Cl)c1[O-])CCO2 ZINC000279702517 374957835 /nfs/dbraw/zinc/95/78/35/374957835.db2.gz RITZWNCYFBFARK-NHYWBVRUSA-N 0 1 297.782 2.425 20 10 CECDMN COC(=O)c1ccc(CN(C)Cc2ccccc2O)nc1 ZINC000285749015 375842332 /nfs/dbraw/zinc/84/23/32/375842332.db2.gz VLEAXAFTSTXHFO-UHFFFAOYSA-N 0 1 286.331 2.206 20 10 CECDMN Cc1cc(CN2CCOC[C@@H]2C[C@@H](C)O)ccc1N(C)C ZINC000294487810 377990613 /nfs/dbraw/zinc/99/06/13/377990613.db2.gz HQCHUTTXMXNWPG-ZBFHGGJFSA-N 0 1 292.423 2.033 20 10 CECDMN CCOC[C@@H]1CN(Cc2cc(C)cc(C)c2O)CCO1 ZINC000530105674 380194870 /nfs/dbraw/zinc/19/48/70/380194870.db2.gz ISZBSSDZMLUXJH-HNNXBMFYSA-N 0 1 279.380 2.246 20 10 CECDMN C[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccc2ccccc2c1[O-] ZINC000530221801 380197223 /nfs/dbraw/zinc/19/72/23/380197223.db2.gz DJTSRTULJGBMSG-TZMCWYRMSA-N 0 1 286.375 2.184 20 10 CECDMN C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)Cc1ccccc1O ZINC000109771875 394734886 /nfs/dbraw/zinc/73/48/86/394734886.db2.gz HGEYRKZSIBIZQE-CQSZACIVSA-N 0 1 290.407 2.471 20 10 CECDMN C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1ccccc1O ZINC000109773407 394735058 /nfs/dbraw/zinc/73/50/58/394735058.db2.gz BFYANOCTDQCURM-LBPRGKRZSA-N 0 1 276.380 2.271 20 10 CECDMN CC[C@@H](c1ccccc1O)[N@H+]1CCCN(C(C)=O)CC1 ZINC000133278264 394948089 /nfs/dbraw/zinc/94/80/89/394948089.db2.gz ORLPHILAWISXDT-HNNXBMFYSA-N 0 1 276.380 2.398 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000153729636 395016950 /nfs/dbraw/zinc/01/69/50/395016950.db2.gz VJXNEIFKSOSLIL-MRXNPFEDSA-N 0 1 293.338 2.346 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000153729636 395016951 /nfs/dbraw/zinc/01/69/51/395016951.db2.gz VJXNEIFKSOSLIL-MRXNPFEDSA-N 0 1 293.338 2.346 20 10 CECDMN C[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134835015 394959820 /nfs/dbraw/zinc/95/98/20/394959820.db2.gz NWZHVBGMCUEXMR-SFYZADRCSA-N 0 1 274.158 2.186 20 10 CECDMN C[C@@H]([NH2+]CCN(C)C)c1ccc(Br)cc1[O-] ZINC000287081438 395033331 /nfs/dbraw/zinc/03/33/31/395033331.db2.gz ORIKQMZJKZPBJC-SECBINFHSA-N 0 1 287.201 2.367 20 10 CECDMN O=S(=O)(Nc1ccc(O)cc1)c1ccccc1F ZINC000020212953 171075619 /nfs/dbraw/zinc/07/56/19/171075619.db2.gz IAPWMIZRWBKISH-UHFFFAOYSA-N 0 1 267.281 2.332 20 10 CECDMN C[C@@H]([NH2+]CC1(CO)COC1)c1ccc2ccccc2c1[O-] ZINC000186146266 262081626 /nfs/dbraw/zinc/08/16/26/262081626.db2.gz UTXIBRMSUAFURW-GFCCVEGCSA-N 0 1 287.359 2.205 20 10 CECDMN CCN1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184671862 262291942 /nfs/dbraw/zinc/29/19/42/262291942.db2.gz DZAYSDSHZXGPJM-UHFFFAOYSA-N 0 1 284.787 2.192 20 10 CECDMN C[C@H]1OCC[C@]12CN(Cc1ccc(N(C)C)cc1)CCO2 ZINC000280404248 263061321 /nfs/dbraw/zinc/06/13/21/263061321.db2.gz 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GAOJMJXAAMHCGN-UHFFFAOYSA-N 0 1 284.359 2.161 20 10 CECDMN COC[C@H](C[NH2+]Cc1ccc2ccccc2c1[O-])OC ZINC000816566405 633414083 /nfs/dbraw/zinc/41/40/83/633414083.db2.gz UUKKYNMXGXTXCO-AWEZNQCLSA-N 0 1 275.348 2.296 20 10 CECDMN [O-]c1c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)ccc2ccccc21 ZINC000816586589 633417728 /nfs/dbraw/zinc/41/77/28/633417728.db2.gz MHKKTXYXLNSNKX-PBHICJAKSA-N 0 1 269.344 2.360 20 10 CECDMN [O-]c1c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)ccc2ccccc21 ZINC000816586589 633417729 /nfs/dbraw/zinc/41/77/29/633417729.db2.gz MHKKTXYXLNSNKX-PBHICJAKSA-N 0 1 269.344 2.360 20 10 CECDMN COC[C@H]1CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000816636823 633453570 /nfs/dbraw/zinc/45/35/70/633453570.db2.gz IXPCYKMJZKOBKB-SNVBAGLBSA-N 0 1 259.708 2.405 20 10 CECDMN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H](C)CO ZINC000816653874 633457712 /nfs/dbraw/zinc/45/77/12/633457712.db2.gz LKJVRCKRANDPPO-QMMMGPOBSA-N 0 1 261.724 2.387 20 10 CECDMN CCN(CC)c1ccc(CNC(=O)Cc2cnc[nH]2)cc1 ZINC000900260354 633624121 /nfs/dbraw/zinc/62/41/21/633624121.db2.gz DDKRWBWLRJBNOW-UHFFFAOYSA-N 0 1 286.379 2.115 20 10 CECDMN NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000817412187 633651235 /nfs/dbraw/zinc/65/12/35/633651235.db2.gz GCULHNPOQWAHEY-XYPYZODXSA-N 0 1 296.798 2.427 20 10 CECDMN C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cc([N+](=O)[O-])ccc1[O-] ZINC000818615117 633960673 /nfs/dbraw/zinc/96/06/73/633960673.db2.gz LYXGQONQOLCKDC-ZWKOPEQDSA-N 0 1 279.340 2.221 20 10 CECDMN C[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)[C@H]1C(=O)[O-] ZINC000818631573 633965858 /nfs/dbraw/zinc/96/58/58/633965858.db2.gz JQKDJSBDJKBFLB-BXKDBHETSA-N 0 1 267.300 2.216 20 10 CECDMN C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)[C@H]1C(=O)[O-] ZINC000818631573 633965863 /nfs/dbraw/zinc/96/58/63/633965863.db2.gz JQKDJSBDJKBFLB-BXKDBHETSA-N 0 1 267.300 2.216 20 10 CECDMN CCN(CC)c1ccc(CNC(=O)C2(N(C)C)CC2)cc1 ZINC000822608897 634952075 /nfs/dbraw/zinc/95/20/75/634952075.db2.gz YYIUXQKRXUABSJ-UHFFFAOYSA-N 0 1 289.423 2.243 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@@H+](C1CC1)C1COC1 ZINC000824472231 635433670 /nfs/dbraw/zinc/43/36/70/635433670.db2.gz NRJVRMFYPSLPQX-UHFFFAOYSA-N 0 1 253.729 2.409 20 10 CECDMN CN(Cc1cnc2n1CCC2)Cc1ccccc1O ZINC000824593982 635458854 /nfs/dbraw/zinc/45/88/54/635458854.db2.gz WRHAKBLWNOXPAD-UHFFFAOYSA-N 0 1 257.337 2.167 20 10 CECDMN [O-]c1ccc(F)cc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824846437 635510407 /nfs/dbraw/zinc/51/04/07/635510407.db2.gz SCGIWWTUMNMUOO-HOCLYGCPSA-N 0 1 279.355 2.418 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)C(C)C)cc1Cl ZINC000825278231 635604774 /nfs/dbraw/zinc/60/47/74/635604774.db2.gz JCUUYHPCTGOORE-CYBMUJFWSA-N 0 1 257.761 2.461 20 10 CECDMN CC[S@@](=O)CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825282922 635605258 /nfs/dbraw/zinc/60/52/58/635605258.db2.gz AVBUJTCDXUAGFV-QGZVFWFLSA-N 0 1 275.801 2.212 20 10 CECDMN O=C([C@H]1CCN1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000825356220 635624753 /nfs/dbraw/zinc/62/47/53/635624753.db2.gz NNOFHKJPDVNMNE-OAHLLOKOSA-N 0 1 286.375 2.251 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C[S@](C)=O)cc1Cl ZINC000825498106 635647269 /nfs/dbraw/zinc/64/72/69/635647269.db2.gz VJEXKPKCKMDXFQ-XYZCENFISA-N 0 1 275.801 2.211 20 10 CECDMN COCC[C@@H](COC)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825948873 635737812 /nfs/dbraw/zinc/73/78/12/635737812.db2.gz LTUJQVYOTDLCIL-LBPRGKRZSA-N 0 1 287.787 2.495 20 10 CECDMN CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826049757 635752421 /nfs/dbraw/zinc/75/24/21/635752421.db2.gz ZDNOVWBMEJUTRP-ABAIWWIYSA-N 0 1 299.798 2.495 20 10 CECDMN CO[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCOC1 ZINC000826821712 635854702 /nfs/dbraw/zinc/85/47/02/635854702.db2.gz BIYCXLQOZCDWPV-NHYWBVRUSA-N 0 1 299.798 2.495 20 10 CECDMN C[N@H+](Cc1c([O-])ccc(Cl)c1F)C[C@H]1COCCO1 ZINC000827140092 636232939 /nfs/dbraw/zinc/23/29/39/636232939.db2.gz HRGZVZMZLOMLEG-VIFPVBQESA-N 0 1 289.734 2.032 20 10 CECDMN Oc1cc(Br)ccc1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000827289296 636281945 /nfs/dbraw/zinc/28/19/45/636281945.db2.gz BCZBLEMKYJQGGI-GXFFZTMASA-N 0 1 298.180 2.111 20 10 CECDMN [O-]c1cc(Br)ccc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827289296 636281949 /nfs/dbraw/zinc/28/19/49/636281949.db2.gz BCZBLEMKYJQGGI-GXFFZTMASA-N 0 1 298.180 2.111 20 10 CECDMN [O-]c1cc(Br)ccc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827289296 636281953 /nfs/dbraw/zinc/28/19/53/636281953.db2.gz BCZBLEMKYJQGGI-GXFFZTMASA-N 0 1 298.180 2.111 20 10 CECDMN CN(CC[S@@](C)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000827337371 636297574 /nfs/dbraw/zinc/29/75/74/636297574.db2.gz VVWYZNAWZBIXHL-HXUWFJFHSA-N 0 1 294.464 2.487 20 10 CECDMN C[N@@H+](Cc1cccc(Cl)c1[O-])C1(CO)CCC1 ZINC000827903982 636456548 /nfs/dbraw/zinc/45/65/48/636456548.db2.gz RYGCRDXQQIEBMX-UHFFFAOYSA-N 0 1 255.745 2.392 20 10 CECDMN CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000834900104 637981734 /nfs/dbraw/zinc/98/17/34/637981734.db2.gz MDYKYEVSJSDNQG-RKDXNWHRSA-N 0 1 270.760 2.221 20 10 CECDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000876693963 650403601 /nfs/dbraw/zinc/40/36/01/650403601.db2.gz LPOBFSMHFMXALC-NSHDSACASA-N 0 1 294.305 2.099 20 10 CECDMN [O-]c1c(C[N@H+](CCCO)C2CC2)ccc(F)c1F ZINC000876731641 650412603 /nfs/dbraw/zinc/41/26/03/650412603.db2.gz LXPIIACKRZDMFJ-UHFFFAOYSA-N 0 1 257.280 2.017 20 10 CECDMN Cc1noc(C)c1CN(C)Cc1cc2c(cc1O)OCO2 ZINC000046478230 639551229 /nfs/dbraw/zinc/55/12/29/639551229.db2.gz ILRGYCSRIZJXTO-UHFFFAOYSA-N 0 1 290.319 2.358 20 10 CECDMN CC[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cc(Cl)ccc1[O-] ZINC000840833745 639556891 /nfs/dbraw/zinc/55/68/91/639556891.db2.gz PJKRJVYMUUFRQM-BXKDBHETSA-N 0 1 282.771 2.222 20 10 CECDMN CCn1ccc(CN[C@@H]2CCc3cccc(O)c32)n1 ZINC000840840678 639558959 /nfs/dbraw/zinc/55/89/59/639558959.db2.gz NKFPBYPAEZTXLT-CYBMUJFWSA-N 0 1 257.337 2.386 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCN2CCOC[C@@H]2C)c(Cl)c1 ZINC000840888675 639573678 /nfs/dbraw/zinc/57/36/78/639573678.db2.gz BXNJFIMCYZUOGP-LBPRGKRZSA-N 0 1 298.814 2.164 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCN2CCO[C@H](C)C2)c(Cl)c1 ZINC000840889555 639573999 /nfs/dbraw/zinc/57/39/99/639573999.db2.gz IJZPHCRUXXQXLA-GFCCVEGCSA-N 0 1 298.814 2.164 20 10 CECDMN COCC1(O)CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840918513 639586093 /nfs/dbraw/zinc/58/60/93/639586093.db2.gz UQYKMZAONAUDCL-UHFFFAOYSA-N 0 1 299.798 2.327 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[S@@](C)=O)c(Cl)c1 ZINC000840940111 639593446 /nfs/dbraw/zinc/59/34/46/639593446.db2.gz VODNPERCFODPGS-VVVCHXIZSA-N 0 1 275.801 2.211 20 10 CECDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000229118988 639677244 /nfs/dbraw/zinc/67/72/44/639677244.db2.gz HFEURJWHHNUKSG-JTQLQIEISA-N 0 1 287.743 2.349 20 10 CECDMN C[C@H](C[S@](C)=O)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753910 639858210 /nfs/dbraw/zinc/85/82/10/639858210.db2.gz OJGAGXNEKLHNTM-MHIIWPAESA-N 0 1 275.801 2.463 20 10 CECDMN CCC[C@H]1C[NH2+]CCN1Cc1cccc(F)c1[O-] ZINC000843058664 640261153 /nfs/dbraw/zinc/26/11/53/640261153.db2.gz ZWWCCXHKYZTLRO-LBPRGKRZSA-N 0 1 252.333 2.105 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C[NH3+])C2)c1[O-] ZINC000843347004 640398393 /nfs/dbraw/zinc/39/83/93/640398393.db2.gz QMOWHEVKOJTNAH-LLVKDONJSA-N 0 1 296.798 2.419 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c1[O-] ZINC000843351836 640399459 /nfs/dbraw/zinc/39/94/59/640399459.db2.gz GSERZFBGXYXICM-AOOOYVTPSA-N 0 1 296.798 2.430 20 10 CECDMN C[C@@H]1CN(Cc2c(O)ccc3ccncc32)CCO1 ZINC000022005044 650596061 /nfs/dbraw/zinc/59/60/61/650596061.db2.gz XSDYIVHJWQYXQH-LLVKDONJSA-N 0 1 258.321 2.161 20 10 CECDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1F ZINC000033573782 640972677 /nfs/dbraw/zinc/97/26/77/640972677.db2.gz KDRWAXJNYPTMKM-JLHYYAGUSA-N 0 1 282.274 2.287 20 10 CECDMN C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Cl)ccc1[O-] ZINC000846192182 641218192 /nfs/dbraw/zinc/21/81/92/641218192.db2.gz FWZLZQPPULXMAJ-HZMBPMFUSA-N 0 1 285.771 2.238 20 10 CECDMN C[C@@H]([NH2+][C@@H](CO)CCF)c1cc(Cl)ccc1[O-] ZINC000846209840 641223060 /nfs/dbraw/zinc/22/30/60/641223060.db2.gz VUJDFTVEQAMKDZ-PSASIEDQSA-N 0 1 261.724 2.417 20 10 CECDMN CC1(O)CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000179724142 641377763 /nfs/dbraw/zinc/37/77/63/641377763.db2.gz HBWMHSDVVMGIOB-UHFFFAOYSA-N 0 1 255.745 2.392 20 10 CECDMN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C1=CC(=O)CS1 ZINC000848392137 641975215 /nfs/dbraw/zinc/97/52/15/641975215.db2.gz VIJOFVITTRAPGC-NEPJUHHUSA-N 0 1 280.393 2.200 20 10 CECDMN O=C1O[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)CN1C1CC1 ZINC000848577250 642063093 /nfs/dbraw/zinc/06/30/93/642063093.db2.gz KIOKGAHUJHHQCM-JTQLQIEISA-N 0 1 296.754 2.118 20 10 CECDMN O=C1O[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])CN1C1CC1 ZINC000848578245 642064617 /nfs/dbraw/zinc/06/46/17/642064617.db2.gz PAOCMDSGEBZXAP-GFCCVEGCSA-N 0 1 296.754 2.118 20 10 CECDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@H]2C[C@H]21 ZINC000816616863 642160520 /nfs/dbraw/zinc/16/05/20/642160520.db2.gz IBUICCYQBIZFMZ-PWSUYJOCSA-N 0 1 257.692 2.158 20 10 CECDMN CCc1cccc(CN2CCCN(CC)C(=O)C2)c1O ZINC000848904887 642181983 /nfs/dbraw/zinc/18/19/83/642181983.db2.gz CJWYHPVZZUWSKZ-UHFFFAOYSA-N 0 1 276.380 2.009 20 10 CECDMN COc1ccc(O)c(CN2CC3(CC3(F)F)C2)c1 ZINC000848922256 642194209 /nfs/dbraw/zinc/19/42/09/642194209.db2.gz OVRJGYBAWKBTMS-UHFFFAOYSA-N 0 1 255.264 2.242 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000083552447 642205218 /nfs/dbraw/zinc/20/52/18/642205218.db2.gz SQZRPVJYTIUQTH-SNVBAGLBSA-N 0 1 266.772 2.372 20 10 CECDMN CN1CCN(c2ccc(/C=C\c3cnccn3)cc2)CC1 ZINC000849246294 642294614 /nfs/dbraw/zinc/29/46/14/642294614.db2.gz QXGGETJQAWIRDD-DJWKRKHSSA-N 0 1 280.375 2.399 20 10 CECDMN C[C@H](N[C@@H]1CCc2cccc(O)c21)c1nccn1C ZINC000850573219 642754712 /nfs/dbraw/zinc/75/47/12/642754712.db2.gz XCJBSLLZOHUFNH-CMPLNLGQSA-N 0 1 257.337 2.464 20 10 CECDMN OC1CCN(c2ccc(CN3CC[C@H](F)C3)cc2)CC1 ZINC000877558993 650788220 /nfs/dbraw/zinc/78/82/20/650788220.db2.gz HODVSDIQOJWHIC-AWEZNQCLSA-N 0 1 278.371 2.192 20 10 CECDMN Cc1cc(CNCc2ccc3c(c2)CCCO3)ncn1 ZINC000921939091 642796963 /nfs/dbraw/zinc/79/69/63/642796963.db2.gz UDFLEBMTGKZLNH-UHFFFAOYSA-N 0 1 269.348 2.400 20 10 CECDMN Cc1cccc(O)c1CN1CC[S@](=O)C(C)(C)CC1 ZINC000877570581 650794268 /nfs/dbraw/zinc/79/42/68/650794268.db2.gz PSPGMTXOKLEQKF-IBGZPJMESA-N 0 1 281.421 2.434 20 10 CECDMN CCC(C)(C)NC(=O)CN(C)Cc1ccccc1O ZINC000109772457 642925982 /nfs/dbraw/zinc/92/59/82/642925982.db2.gz RMLLGKLSRZKNCN-UHFFFAOYSA-N 0 1 264.369 2.129 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CC(=O)N(C)C2)c(Cl)c1 ZINC000922484934 643091229 /nfs/dbraw/zinc/09/12/29/643091229.db2.gz RLECONVWDFDDIP-NSHDSACASA-N 0 1 296.798 2.312 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)c1O ZINC000851709726 643118950 /nfs/dbraw/zinc/11/89/50/643118950.db2.gz XLUBYQJFUJFBLB-WVSHTKLVSA-N 0 1 295.310 2.029 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)c1O ZINC000851709726 643118955 /nfs/dbraw/zinc/11/89/55/643118955.db2.gz XLUBYQJFUJFBLB-WVSHTKLVSA-N 0 1 295.310 2.029 20 10 CECDMN COC(=O)c1coc(CNCc2ccc(C)cc2O)c1 ZINC000877699989 650857390 /nfs/dbraw/zinc/85/73/90/650857390.db2.gz UETHRPQTZIWFOL-UHFFFAOYSA-N 0 1 275.304 2.370 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](CO)CC1CC1 ZINC000754835807 644438645 /nfs/dbraw/zinc/43/86/45/644438645.db2.gz WUGUEHHQMKFSCS-GFCCVEGCSA-N 0 1 255.745 2.296 20 10 CECDMN CN(C)c1ccc(CN[C@@H](CO)CC(F)(F)F)cc1F ZINC000756996509 644716965 /nfs/dbraw/zinc/71/69/65/644716965.db2.gz QNNJOCGODZVVSS-SNVBAGLBSA-N 0 1 294.292 2.295 20 10 CECDMN C[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccc(Cl)cc1[O-] ZINC000858523958 645190963 /nfs/dbraw/zinc/19/09/63/645190963.db2.gz ZUKXEPWAIDSOEV-PWSUYJOCSA-N 0 1 284.787 2.027 20 10 CECDMN CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000858588859 645215515 /nfs/dbraw/zinc/21/55/15/645215515.db2.gz SDQPENXAWJJVPT-DTWKUNHWSA-N 0 1 286.759 2.105 20 10 CECDMN CCN(C)c1ccc(CN2CCO[C@@](C)(COC)C2)cc1 ZINC000860203218 645736684 /nfs/dbraw/zinc/73/66/84/645736684.db2.gz ZHNFFTHNQMGXBL-QGZVFWFLSA-N 0 1 292.423 2.380 20 10 CECDMN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000765794497 645810993 /nfs/dbraw/zinc/81/09/93/645810993.db2.gz CQYHVLIZJBJZRQ-NWDGAFQWSA-N 0 1 282.771 2.050 20 10 CECDMN C[C@@H]([N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)C1(C)CC1 ZINC000768463648 646126858 /nfs/dbraw/zinc/12/68/58/646126858.db2.gz KWTAFDQCZGECTJ-YGRLFVJLSA-N 0 1 277.364 2.438 20 10 CECDMN C[C@@H]([N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)C1(C)CC1 ZINC000768463648 646126859 /nfs/dbraw/zinc/12/68/59/646126859.db2.gz KWTAFDQCZGECTJ-YGRLFVJLSA-N 0 1 277.364 2.438 20 10 CECDMN C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CN1 ZINC000863484979 646740301 /nfs/dbraw/zinc/74/03/01/646740301.db2.gz QYBXZOCMPDWUHV-KWQFWETISA-N 0 1 299.758 2.184 20 10 CECDMN CCN(C)c1ccc(CN2CCCC[C@@H]2C(=O)NC)cc1 ZINC000773748660 646771765 /nfs/dbraw/zinc/77/17/65/646771765.db2.gz QDAWLROWQPDCNA-MRXNPFEDSA-N 0 1 289.423 2.243 20 10 CECDMN CCC[N@@H+](CC(=O)NC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775664106 646977510 /nfs/dbraw/zinc/97/75/10/646977510.db2.gz SDZKOOTYBJTJKH-UHFFFAOYSA-N 0 1 288.750 2.143 20 10 CECDMN COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1ccccc1O ZINC000776000787 647015397 /nfs/dbraw/zinc/01/53/97/647015397.db2.gz NPSCOCLQEKDHNZ-AAEUAGOBSA-N 0 1 263.337 2.166 20 10 CECDMN CN(C)c1nccc(CNCc2c(O)cccc2Cl)n1 ZINC000776496744 647066790 /nfs/dbraw/zinc/06/67/90/647066790.db2.gz LSHYGJYMVQEQPL-UHFFFAOYSA-N 0 1 292.770 2.191 20 10 CECDMN COc1cccc(O)c1CN1CCO[C@H](C(C)C)C1 ZINC000779149228 647291850 /nfs/dbraw/zinc/29/18/50/647291850.db2.gz CITHFFBHAUCQJF-HNNXBMFYSA-N 0 1 265.353 2.258 20 10 CECDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000865711813 647434078 /nfs/dbraw/zinc/43/40/78/647434078.db2.gz RBBUYFJXUDIPQW-QUBYGPBYSA-N 0 1 283.677 2.447 20 10 CECDMN CCCCCN(CC(N)=O)Cc1ccc(OCC)cc1O ZINC000780780361 647468395 /nfs/dbraw/zinc/46/83/95/647468395.db2.gz SHIZRAWVOFNHEE-UHFFFAOYSA-N 0 1 294.395 2.268 20 10 CECDMN COc1cccc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000783738379 647754682 /nfs/dbraw/zinc/75/46/82/647754682.db2.gz SYLMFSYUQAUFJL-QJPTWQEYSA-N 0 1 265.353 2.399 20 10 CECDMN C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000788269415 648166159 /nfs/dbraw/zinc/16/61/59/648166159.db2.gz NITHILVXFLXPDM-KWQFWETISA-N 0 1 286.169 2.110 20 10 CECDMN C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000788269415 648166161 /nfs/dbraw/zinc/16/61/61/648166161.db2.gz NITHILVXFLXPDM-KWQFWETISA-N 0 1 286.169 2.110 20 10 CECDMN CN(Cc1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000790081044 648379677 /nfs/dbraw/zinc/37/96/77/648379677.db2.gz WIYIUDCBAOBFAG-UHFFFAOYSA-N 0 1 292.379 2.443 20 10 CECDMN Oc1ccc(F)cc1CNCc1cccnc1F ZINC000793279185 648735784 /nfs/dbraw/zinc/73/57/84/648735784.db2.gz BAVCHTQIOVACTE-UHFFFAOYSA-N 0 1 250.248 2.355 20 10 CECDMN CCCN(CC(=O)N(C)C)Cc1ccc(N(C)C)cc1 ZINC000123237319 648851670 /nfs/dbraw/zinc/85/16/70/648851670.db2.gz CTCVZXZNQSJKAM-UHFFFAOYSA-N 0 1 277.412 2.053 20 10 CECDMN C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000872127524 649286154 /nfs/dbraw/zinc/28/61/54/649286154.db2.gz WWMGQRLHTWZEBJ-FXPVBKGRSA-N 0 1 255.745 2.467 20 10 CECDMN CCCNC(=O)CNCc1ccc(OCCC)c(C)c1 ZINC000873008074 649529530 /nfs/dbraw/zinc/52/95/30/649529530.db2.gz NFEHWFFOOKVEDK-UHFFFAOYSA-N 0 1 278.396 2.400 20 10 CECDMN COc1ccc(N2CC[C@H](CNCc3ccon3)C2)cc1 ZINC000873132510 649565784 /nfs/dbraw/zinc/56/57/84/649565784.db2.gz WJIXAGFHNJHHHX-CYBMUJFWSA-N 0 1 287.363 2.299 20 10 CECDMN Cc1nccnc1[C@H](C)NCc1cc2c(cc1O)OCO2 ZINC000873188058 649582119 /nfs/dbraw/zinc/58/21/19/649582119.db2.gz GKIDKYTYPODYMK-JTQLQIEISA-N 0 1 287.319 2.070 20 10 CECDMN C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000130866656 652349938 /nfs/dbraw/zinc/34/99/38/652349938.db2.gz YWYFCIPVQSZHQT-XYZCENFISA-N 0 1 275.801 2.244 20 10 CECDMN C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000130866656 652349940 /nfs/dbraw/zinc/34/99/40/652349940.db2.gz YWYFCIPVQSZHQT-XYZCENFISA-N 0 1 275.801 2.244 20 10 CECDMN C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000130866656 652349941 /nfs/dbraw/zinc/34/99/41/652349941.db2.gz YWYFCIPVQSZHQT-XYZCENFISA-N 0 1 275.801 2.244 20 10 CECDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000884441908 652852751 /nfs/dbraw/zinc/85/27/51/652852751.db2.gz SHPNSGSKHSXUKF-MEBBXXQBSA-N 0 1 284.363 2.321 20 10 CECDMN C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000884441938 652852767 /nfs/dbraw/zinc/85/27/67/652852767.db2.gz SQCVZKGYYKGAQR-HZMBPMFUSA-N 0 1 284.363 2.321 20 10 CECDMN [NH3+][C@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)C[C@H]1F ZINC001204837272 806356028 /nfs/dbraw/zinc/35/60/28/806356028.db2.gz YTLDNWQBTGNTAC-BDAKNGLRSA-N 0 1 279.142 2.180 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C[C@]1(C)O ZINC001142509067 806608762 /nfs/dbraw/zinc/60/87/62/806608762.db2.gz WCGWHUHNDSJHRP-OTYXRUKQSA-N 0 1 271.307 2.263 20 10 CECDMN C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])[C@@H]1CO ZINC001142508808 806607822 /nfs/dbraw/zinc/60/78/22/806607822.db2.gz MFCHHGAXDGFITC-NOZJJQNGSA-N 0 1 271.307 2.263 20 10 CECDMN COC[C@H](CC[NH2+]Cc1cc(Cl)ccc1[O-])OC ZINC000694285272 803526950 /nfs/dbraw/zinc/52/69/50/803526950.db2.gz ISEKADAWGIZLMY-LBPRGKRZSA-N 0 1 273.760 2.187 20 10 CECDMN CN(CC(=O)OC(C)(C)C)Cc1cc(F)cc(F)c1O ZINC000893987911 804689358 /nfs/dbraw/zinc/68/93/58/804689358.db2.gz WKMVWMATRXTVEP-UHFFFAOYSA-N 0 1 287.306 2.444 20 10 CECDMN COc1cc([O-])c(C[N@@H+]2C[C@H](O)CC[C@H]2C)cc1Cl ZINC001232266365 807238765 /nfs/dbraw/zinc/23/87/65/807238765.db2.gz LZDXNYWRVQSOEI-MWLCHTKSSA-N 0 1 285.771 2.399 20 10 CECDMN COc1cc([O-])c(C[N@H+]2C[C@H](O)CC[C@H]2C)cc1Cl ZINC001232266365 807238768 /nfs/dbraw/zinc/23/87/68/807238768.db2.gz LZDXNYWRVQSOEI-MWLCHTKSSA-N 0 1 285.771 2.399 20 10 CECDMN [O-]c1ccc(F)c(F)c1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001233334771 807395810 /nfs/dbraw/zinc/39/58/10/807395810.db2.gz SMKZJJWEPIISQF-NSHDSACASA-N 0 1 282.334 2.341 20 10 CECDMN [O-]c1ccc(F)c(F)c1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001233334771 807395816 /nfs/dbraw/zinc/39/58/16/807395816.db2.gz SMKZJJWEPIISQF-NSHDSACASA-N 0 1 282.334 2.341 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@H](O)C(F)F ZINC000716746804 815145282 /nfs/dbraw/zinc/14/52/82/815145282.db2.gz UVBOFKFKRUXJHD-JTQLQIEISA-N 0 1 265.687 2.151 20 10 CECDMN COCC1(N(C)Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000707177708 809884289 /nfs/dbraw/zinc/88/42/89/809884289.db2.gz ARVLPXOFCPAUEZ-UHFFFAOYSA-N 0 1 281.327 2.345 20 10 CECDMN CC[C@@H]1CN(Cc2cc(F)cc(F)c2O)CCO1 ZINC000708421442 809929890 /nfs/dbraw/zinc/92/98/90/809929890.db2.gz GFCUTMZVTRLNBK-LLVKDONJSA-N 0 1 257.280 2.281 20 10 CECDMN O=C1CC2(CN1)CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC000271184390 810290123 /nfs/dbraw/zinc/29/01/23/810290123.db2.gz MNJIHSKOOXWVIV-UHFFFAOYSA-N 0 1 294.782 2.148 20 10 CECDMN C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691469698 811901959 /nfs/dbraw/zinc/90/19/59/811901959.db2.gz ZPRJTWIFBUVRQY-KCJUWKMLSA-N 0 1 286.169 2.279 20 10 CECDMN CC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@@H](C)O ZINC000691486631 811959367 /nfs/dbraw/zinc/95/93/67/811959367.db2.gz AYITYVZVHNWVKC-LDYMZIIASA-N 0 1 288.185 2.404 20 10 CECDMN COC[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000234893908 814506670 /nfs/dbraw/zinc/50/66/70/814506670.db2.gz YNFRMOLLRRAKPX-WCQYABFASA-N 0 1 275.348 2.203 20 10 CECDMN COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684114 814748943 /nfs/dbraw/zinc/74/89/43/814748943.db2.gz QSKFMNMZXYNSJQ-VHSXEESVSA-N 0 1 299.317 2.301 20 10 CECDMN NCc1ncc(NCc2cc3ccccc3cc2O)cn1 ZINC001171404953 814902563 /nfs/dbraw/zinc/90/25/63/814902563.db2.gz MPSOMCNKLWHYRS-UHFFFAOYSA-N 0 1 280.331 2.406 20 10 CECDMN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001137832037 815690842 /nfs/dbraw/zinc/69/08/42/815690842.db2.gz XXPLGPZQNGGHLP-AWEZNQCLSA-N 0 1 271.307 2.218 20 10 CECDMN CC(C)(C)[NH+]1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137837694 815693173 /nfs/dbraw/zinc/69/31/73/815693173.db2.gz QZAVGYFIOBYMTC-UHFFFAOYSA-N 0 1 266.360 2.447 20 10 CECDMN [O-]c1cccc(F)c1CN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001137834521 815693456 /nfs/dbraw/zinc/69/34/56/815693456.db2.gz JSEMHRPOXQVXQU-UHFFFAOYSA-N 0 1 290.382 2.449 20 10 CECDMN [O-]c1cccc(F)c1CN1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001137834521 815693468 /nfs/dbraw/zinc/69/34/68/815693468.db2.gz JSEMHRPOXQVXQU-UHFFFAOYSA-N 0 1 290.382 2.449 20 10 CECDMN [O-]c1cccc(F)c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001137837911 815693544 /nfs/dbraw/zinc/69/35/44/815693544.db2.gz YQZJBBWNRFRCTE-LBPRGKRZSA-N 0 1 264.344 2.201 20 10 CECDMN [O-]c1cccc(F)c1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001137837911 815693547 /nfs/dbraw/zinc/69/35/47/815693547.db2.gz YQZJBBWNRFRCTE-LBPRGKRZSA-N 0 1 264.344 2.201 20 10 CECDMN O=C(N[C@@H]1CCC[N@H+](Cc2c([O-])cccc2F)C1)C1CC1 ZINC001137841503 815695853 /nfs/dbraw/zinc/69/58/53/815695853.db2.gz HKWKCUHCDNDYLR-GFCCVEGCSA-N 0 1 292.354 2.022 20 10 CECDMN COC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138129664 815732916 /nfs/dbraw/zinc/73/29/16/815732916.db2.gz QABDUTSUFFVEMY-NSHDSACASA-N 0 1 281.327 2.306 20 10 CECDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCO[C@@H](C)C1 ZINC001139125327 815965355 /nfs/dbraw/zinc/96/53/55/815965355.db2.gz RKIVLCKVZUQOTF-NSHDSACASA-N 0 1 289.331 2.028 20 10 CECDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCO[C@@H](C)C1 ZINC001139125327 815965361 /nfs/dbraw/zinc/96/53/61/815965361.db2.gz RKIVLCKVZUQOTF-NSHDSACASA-N 0 1 289.331 2.028 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001139686066 816081526 /nfs/dbraw/zinc/08/15/26/816081526.db2.gz MEIXIMFSGCWUGP-TVQRCGJNSA-N 0 1 269.291 2.281 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001139686262 816083666 /nfs/dbraw/zinc/08/36/66/816083666.db2.gz ROSAREMGXKMLKW-CQSZACIVSA-N 0 1 269.291 2.425 20 10 CECDMN COC(=O)[C@@]1(F)CCN(Cc2c(C)ccc(C)c2O)C1 ZINC001140178758 816203982 /nfs/dbraw/zinc/20/39/82/816203982.db2.gz WSFZROINJFYOIF-OAHLLOKOSA-N 0 1 281.327 2.096 20 10 CECDMN CC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140341696 816237115 /nfs/dbraw/zinc/23/71/15/816237115.db2.gz CSTUHZJSRDLEMA-SNVBAGLBSA-N 0 1 253.729 2.457 20 10 CECDMN CC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140341696 816237119 /nfs/dbraw/zinc/23/71/19/816237119.db2.gz CSTUHZJSRDLEMA-SNVBAGLBSA-N 0 1 253.729 2.457 20 10 CECDMN Oc1cccc(Cl)c1CN1CC[C@]12CCOC2 ZINC001140342286 816237334 /nfs/dbraw/zinc/23/73/34/816237334.db2.gz BOLCUCDFZZEHRA-CYBMUJFWSA-N 0 1 253.729 2.410 20 10 CECDMN CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c([O-])cccc1Cl ZINC001140339263 816238759 /nfs/dbraw/zinc/23/87/59/816238759.db2.gz HBQKUXLUYMZNEK-CHWSQXEVSA-N 0 1 294.782 2.241 20 10 CECDMN CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c([O-])cccc1Cl ZINC001140339263 816238762 /nfs/dbraw/zinc/23/87/62/816238762.db2.gz HBQKUXLUYMZNEK-CHWSQXEVSA-N 0 1 294.782 2.241 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001140462916 816259365 /nfs/dbraw/zinc/25/93/65/816259365.db2.gz OCHGIHIMQQOFTJ-GFCCVEGCSA-N 0 1 255.745 2.392 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001140462916 816259371 /nfs/dbraw/zinc/25/93/71/816259371.db2.gz OCHGIHIMQQOFTJ-GFCCVEGCSA-N 0 1 255.745 2.392 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001140582125 816290989 /nfs/dbraw/zinc/29/09/89/816290989.db2.gz DJNTYEOHUMFVKS-MRVPVSSYSA-N 0 1 293.260 2.120 20 10 CECDMN C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140582066 816291200 /nfs/dbraw/zinc/29/12/00/816291200.db2.gz BDSCGPRTSVUOQL-VHSXEESVSA-N 0 1 271.307 2.263 20 10 CECDMN O=c1[nH]ccc2c1CC[N@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001140584274 816292551 /nfs/dbraw/zinc/29/25/51/816292551.db2.gz LJGZITQGCJGUHO-UHFFFAOYSA-N 0 1 292.285 2.329 20 10 CECDMN COC(=O)CC[N@@H+](Cc1c([O-])cc(F)cc1F)C1CC1 ZINC001140585357 816294411 /nfs/dbraw/zinc/29/44/11/816294411.db2.gz GPJJZBMSSSWPKX-UHFFFAOYSA-N 0 1 285.290 2.198 20 10 CECDMN CC[C@H](N[C@@H](C)c1nncn1C)c1ccccc1O ZINC000037016934 361884647 /nfs/dbraw/zinc/88/46/47/361884647.db2.gz QNAIQPLCZIJGER-JQWIXIFHSA-N 0 1 260.341 2.323 20 10 CECDMN COc1ccc(CNCc2cc(C)nn2C)cc1C ZINC000284128727 539358586 /nfs/dbraw/zinc/35/85/86/539358586.db2.gz 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COC[C@](C)(CCO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825330775 635618355 /nfs/dbraw/zinc/61/83/55/635618355.db2.gz CPWOUORKYCAHSN-AWEZNQCLSA-N 0 1 287.787 2.231 20 10 CECDMN COC(=O)C1(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825555165 635662203 /nfs/dbraw/zinc/66/22/03/635662203.db2.gz DNQUPXYIQJGUSR-UHFFFAOYSA-N 0 1 283.755 2.397 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1Cl ZINC000825628556 635679538 /nfs/dbraw/zinc/67/95/38/635679538.db2.gz ALRWYEDBAAYELL-RISCZKNCSA-N 0 1 267.756 2.168 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1Cl ZINC000825628556 635679542 /nfs/dbraw/zinc/67/95/42/635679542.db2.gz ALRWYEDBAAYELL-RISCZKNCSA-N 0 1 267.756 2.168 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](O)C[C@H]2C)cc1Cl ZINC000825666085 635689004 /nfs/dbraw/zinc/68/90/04/635689004.db2.gz GWCKXIWNWMVLBU-KOLCDFICSA-N 0 1 255.745 2.309 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc1Cl ZINC000825666085 635689007 /nfs/dbraw/zinc/68/90/07/635689007.db2.gz GWCKXIWNWMVLBU-KOLCDFICSA-N 0 1 255.745 2.309 20 10 CECDMN COC1(CO)CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825715569 635701825 /nfs/dbraw/zinc/70/18/25/635701825.db2.gz AULNWAOFXBCTDD-UHFFFAOYSA-N 0 1 299.798 2.327 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CN(C)C)cc1Cl ZINC000825900788 635728239 /nfs/dbraw/zinc/72/82/39/635728239.db2.gz RGKLJCAZPBWCRP-JTQLQIEISA-N 0 1 256.777 2.394 20 10 CECDMN CO[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCOC1 ZINC000826821710 635855177 /nfs/dbraw/zinc/85/51/77/635855177.db2.gz BIYCXLQOZCDWPV-IAQYHMDHSA-N 0 1 299.798 2.495 20 10 CECDMN CO[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCOC1 ZINC000826821714 635855286 /nfs/dbraw/zinc/85/52/86/635855286.db2.gz BIYCXLQOZCDWPV-XHDPSFHLSA-N 0 1 299.798 2.495 20 10 CECDMN COCCN(CCF)Cc1ccc(N(C)C)cc1C ZINC000827048260 636197368 /nfs/dbraw/zinc/19/73/68/636197368.db2.gz NHMRKOJPGIVUET-UHFFFAOYSA-N 0 1 268.376 2.479 20 10 CECDMN CN1CC(C[N@@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC000827124861 636225106 /nfs/dbraw/zinc/22/51/06/636225106.db2.gz FMIWNKJSIALBFK-UHFFFAOYSA-N 0 1 254.761 2.039 20 10 CECDMN O=C1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CC[C@@H]2N1 ZINC000827133049 636228825 /nfs/dbraw/zinc/22/88/25/636228825.db2.gz QVWZBCKVDCVYCV-GWCFXTLKSA-N 0 1 294.782 2.146 20 10 CECDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1COCCO1 ZINC000827141559 636233334 /nfs/dbraw/zinc/23/33/34/636233334.db2.gz UKNXCXWXBKELKG-NSHDSACASA-N 0 1 289.734 2.032 20 10 CECDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC2(COC2)C1 ZINC000827644734 636373099 /nfs/dbraw/zinc/37/30/99/636373099.db2.gz QXFIMLUHTXYXJY-UHFFFAOYSA-N 0 1 298.180 2.377 20 10 CECDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC2(COC2)C1 ZINC000827644734 636373105 /nfs/dbraw/zinc/37/31/05/636373105.db2.gz QXFIMLUHTXYXJY-UHFFFAOYSA-N 0 1 298.180 2.377 20 10 CECDMN Cc1cc(N(C)C)ccc1CNC(=O)c1coc(CN)c1 ZINC000829763871 636924452 /nfs/dbraw/zinc/92/44/52/636924452.db2.gz BPNNRBBJAKMXMW-UHFFFAOYSA-N 0 1 287.363 2.043 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2COCC2(C)C)c1[O-] ZINC000832164935 637509683 /nfs/dbraw/zinc/50/96/83/637509683.db2.gz FLAJDUNLFYXKEL-ZDUSSCGKSA-N 0 1 281.327 2.249 20 10 CECDMN COC[C@@](C)(O)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000834844790 637968543 /nfs/dbraw/zinc/96/85/43/637968543.db2.gz UYSXHIMBOLONSS-YGRLFVJLSA-N 0 1 287.787 2.484 20 10 CECDMN COC(=O)C(C)(C)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876677709 650394860 /nfs/dbraw/zinc/39/48/60/650394860.db2.gz BTYLGQRRBOYXIB-UHFFFAOYSA-N 0 1 273.279 2.054 20 10 CECDMN COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876677709 650394862 /nfs/dbraw/zinc/39/48/62/650394862.db2.gz BTYLGQRRBOYXIB-UHFFFAOYSA-N 0 1 273.279 2.054 20 10 CECDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccc(O)cc1O ZINC000910948813 638193271 /nfs/dbraw/zinc/19/32/71/638193271.db2.gz AWJYJAINGOFCHK-UHFFFAOYSA-N 0 1 289.335 2.183 20 10 CECDMN Cc1cc(CN)oc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000876714278 650409066 /nfs/dbraw/zinc/40/90/66/650409066.db2.gz YVJCSNFMVBTQEU-UHFFFAOYSA-N 0 1 287.363 2.043 20 10 CECDMN Cc1ccc(CN(C)CC(=O)NCc2ccccc2)c(O)c1 ZINC000876755034 650421184 /nfs/dbraw/zinc/42/11/84/650421184.db2.gz IYBDVJGMHDFULX-UHFFFAOYSA-N 0 1 298.386 2.449 20 10 CECDMN CC[C@H](C)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000055083789 639339654 /nfs/dbraw/zinc/33/96/54/639339654.db2.gz AYJNACJDICAECB-LBPRGKRZSA-N 0 1 276.384 2.217 20 10 CECDMN C[C@@H]1OCCN(Cc2cc3c(cc2O)CCC3)[C@H]1C ZINC000164171607 639353722 /nfs/dbraw/zinc/35/37/22/639353722.db2.gz UKALUZHVVMRIMJ-RYUDHWBXSA-N 0 1 261.365 2.490 20 10 CECDMN C[C@H]1OCCN(Cc2cc3c(cc2O)CCC3)[C@@H]1C ZINC000164171680 639353957 /nfs/dbraw/zinc/35/39/57/639353957.db2.gz UKALUZHVVMRIMJ-VXGBXAGGSA-N 0 1 261.365 2.490 20 10 CECDMN C[C@@H](NCc1cc(F)ccc1O)c1nnc2ccccn21 ZINC000226583459 639554925 /nfs/dbraw/zinc/55/49/25/639554925.db2.gz JIHQINSLSCPVTH-SNVBAGLBSA-N 0 1 286.310 2.425 20 10 CECDMN CC(=O)NC1CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840912187 639583192 /nfs/dbraw/zinc/58/31/92/639583192.db2.gz CAXWAPCQNLLNIL-UHFFFAOYSA-N 0 1 296.798 2.455 20 10 CECDMN Cc1cc(N(C)C)ccc1CN1CCC2(C1)OCCO2 ZINC000840913516 639584157 /nfs/dbraw/zinc/58/41/57/639584157.db2.gz GQZNFRDBECDMBB-UHFFFAOYSA-N 0 1 276.380 2.010 20 10 CECDMN COC(=O)C1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840937555 639592544 /nfs/dbraw/zinc/59/25/44/639592544.db2.gz JQAJURBYIYODDD-UHFFFAOYSA-N 0 1 283.755 2.397 20 10 CECDMN C[C@@H](O)C[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000228562078 639644489 /nfs/dbraw/zinc/64/44/89/639644489.db2.gz TYRGURJMKIJYCI-DTWKUNHWSA-N 0 1 288.185 2.404 20 10 CECDMN CCC[C@@H]1C[NH2+]CCN1Cc1cccc(F)c1[O-] ZINC000843058663 640261275 /nfs/dbraw/zinc/26/12/75/640261275.db2.gz ZWWCCXHKYZTLRO-GFCCVEGCSA-N 0 1 252.333 2.105 20 10 CECDMN COc1ccc(O)c(CN2CCO[C@]3(CCSC3)C2)c1 ZINC000843418030 640421726 /nfs/dbraw/zinc/42/17/26/640421726.db2.gz NTFRTGXJUYSRAF-OAHLLOKOSA-N 0 1 295.404 2.109 20 10 CECDMN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000844937568 640871498 /nfs/dbraw/zinc/87/14/98/640871498.db2.gz OCWOHPSRTUDFIJ-JTQLQIEISA-N 0 1 275.707 2.480 20 10 CECDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000844937568 640871500 /nfs/dbraw/zinc/87/15/00/640871500.db2.gz OCWOHPSRTUDFIJ-JTQLQIEISA-N 0 1 275.707 2.480 20 10 CECDMN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000846474564 641312359 /nfs/dbraw/zinc/31/23/59/641312359.db2.gz VDLFJDHAAJEAQE-ZDUSSCGKSA-N 0 1 294.782 2.289 20 10 CECDMN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCN1C1CC1 ZINC000846474564 641312360 /nfs/dbraw/zinc/31/23/60/641312360.db2.gz VDLFJDHAAJEAQE-ZDUSSCGKSA-N 0 1 294.782 2.289 20 10 CECDMN N#Cc1ccc(O)c(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000181266282 641531816 /nfs/dbraw/zinc/53/18/16/641531816.db2.gz CJFOBCJINZZJAU-ZZXKWVIFSA-N 0 1 296.282 2.327 20 10 CECDMN COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1ccc(C)cc1O ZINC000877415978 650713423 /nfs/dbraw/zinc/71/34/23/650713423.db2.gz FNZYRKQRPCDCCQ-JSGCOSHPSA-N 0 1 277.364 2.474 20 10 CECDMN O=C1O[C@H](C[NH2+]Cc2c([O-])cccc2Cl)CN1C1CC1 ZINC000848577252 642063127 /nfs/dbraw/zinc/06/31/27/642063127.db2.gz KIOKGAHUJHHQCM-SNVBAGLBSA-N 0 1 296.754 2.118 20 10 CECDMN CCc1cccc(CN2CCN(c3cnccn3)CC2)c1O ZINC000848880144 642168148 /nfs/dbraw/zinc/16/81/48/642168148.db2.gz ATZDVIWYAHFPDS-UHFFFAOYSA-N 0 1 298.390 2.067 20 10 CECDMN CN(C)c1ccc(CNCc2cnc3n2CCC3)cc1F ZINC000850099771 642578416 /nfs/dbraw/zinc/57/84/16/642578416.db2.gz XWNHTAYCYCJWFQ-UHFFFAOYSA-N 0 1 288.370 2.324 20 10 CECDMN CCOCc1cc(CNCC2OCCCO2)ccc1OC ZINC000922276321 642995865 /nfs/dbraw/zinc/99/58/65/642995865.db2.gz FPPWQISHEUACPR-UHFFFAOYSA-N 0 1 295.379 2.084 20 10 CECDMN Cn1ncc2c1CN(Cc1cc(Cl)cc(F)c1O)C2 ZINC000877632906 650824171 /nfs/dbraw/zinc/82/41/71/650824171.db2.gz QZSNOMPJLHWFBP-UHFFFAOYSA-N 0 1 281.718 2.434 20 10 CECDMN CCOc1cccc(C[N@H+](CC(=O)[O-])CC2CC2)c1O ZINC000086734890 643385296 /nfs/dbraw/zinc/38/52/96/643385296.db2.gz CEJJQUXHBGYXOQ-UHFFFAOYSA-N 0 1 279.336 2.088 20 10 CECDMN Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c(O)c1 ZINC000877657880 650837172 /nfs/dbraw/zinc/83/71/72/650837172.db2.gz PFRKGFNWWKEVMP-GOEBONIOSA-N 0 1 261.365 2.295 20 10 CECDMN Cn1nc(CNCc2ccccc2O)cc1C1CC1 ZINC000922953619 643470995 /nfs/dbraw/zinc/47/09/95/643470995.db2.gz CZNYQTBLRJSTKF-UHFFFAOYSA-N 0 1 257.337 2.293 20 10 CECDMN CNC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000853249365 643722265 /nfs/dbraw/zinc/72/22/65/643722265.db2.gz QCLAAEYIPKWGDN-ZETCQYMHSA-N 0 1 263.168 2.397 20 10 CECDMN C[C@H]1COC2(CCC2)CN1Cc1cc2c(cc1O)OCO2 ZINC000853542943 643808246 /nfs/dbraw/zinc/80/82/46/643808246.db2.gz WHGQYDZVXJIUTF-NSHDSACASA-N 0 1 291.347 2.264 20 10 CECDMN C[C@@H](N[C@@H]1CCc2cccc(O)c21)c1ccn(C)n1 ZINC000840816412 644057840 /nfs/dbraw/zinc/05/78/40/644057840.db2.gz VZKJFOCCJIQVRG-ZWNOBZJWSA-N 0 1 257.337 2.464 20 10 CECDMN COC1(C)CN(Cc2cccc(Br)c2O)C1 ZINC000839103050 644149814 /nfs/dbraw/zinc/14/98/14/644149814.db2.gz VKTIYAIYIVWNPR-UHFFFAOYSA-N 0 1 286.169 2.375 20 10 CECDMN C[C@@H](NCc1ccc(S(C)(=O)=O)o1)c1ccccc1O ZINC000877755803 650899210 /nfs/dbraw/zinc/89/92/10/650899210.db2.gz NNXOVJDTXGLROJ-SNVBAGLBSA-N 0 1 295.360 2.240 20 10 CECDMN C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000756535697 644659815 /nfs/dbraw/zinc/65/98/15/644659815.db2.gz PUYJDHVVGCDDSJ-NEPJUHHUSA-N 0 1 298.814 2.417 20 10 CECDMN C[C@@H]([NH2+]CCCn1cncn1)c1cc(Cl)ccc1[O-] ZINC000756830019 644696601 /nfs/dbraw/zinc/69/66/01/644696601.db2.gz NWRSZPRAVGLGAG-SNVBAGLBSA-N 0 1 280.759 2.378 20 10 CECDMN COc1cccc(CNCc2cn(C)nc2Cl)c1O ZINC000857046378 644800146 /nfs/dbraw/zinc/80/01/46/644800146.db2.gz MUEVZKZMPCEXDA-UHFFFAOYSA-N 0 1 281.743 2.078 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1CO ZINC000857061310 644805870 /nfs/dbraw/zinc/80/58/70/644805870.db2.gz OGTNMWXQUPEDFZ-JQWIXIFHSA-N 0 1 269.772 2.496 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CC(O)C2)c1[O-] ZINC000759873358 645087409 /nfs/dbraw/zinc/08/74/09/645087409.db2.gz LNEMPGMQJZQTTG-UHFFFAOYSA-N 0 1 283.755 2.203 20 10 CECDMN CCn1nncc1CNC/C=C\c1ccc(N(C)C)cc1 ZINC000858202640 645087874 /nfs/dbraw/zinc/08/78/74/645087874.db2.gz FNBBKBYTMYOVRI-WAYWQWQTSA-N 0 1 285.395 2.167 20 10 CECDMN Cc1ccc(O)c(CNCc2cn(C3CCC3)nn2)c1 ZINC000858239815 645095820 /nfs/dbraw/zinc/09/58/20/645095820.db2.gz URBGTBYZNFHDPU-UHFFFAOYSA-N 0 1 272.352 2.307 20 10 CECDMN C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(Cl)cc1[O-] ZINC000858435817 645158480 /nfs/dbraw/zinc/15/84/80/645158480.db2.gz UMFDFNHPJRQPII-BXKDBHETSA-N 0 1 295.770 2.163 20 10 CECDMN CC(C)[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CC1 ZINC000768439849 646123015 /nfs/dbraw/zinc/12/30/15/646123015.db2.gz NVHPQGBXXYKDCT-OAHLLOKOSA-N 0 1 277.364 2.438 20 10 CECDMN CC(C)[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CC1 ZINC000768439849 646123017 /nfs/dbraw/zinc/12/30/17/646123017.db2.gz NVHPQGBXXYKDCT-OAHLLOKOSA-N 0 1 277.364 2.438 20 10 CECDMN Cc1ccc(O)c(CN(C)CC(=O)NCc2ccccc2)c1 ZINC000769467618 646272700 /nfs/dbraw/zinc/27/27/00/646272700.db2.gz YKQRGHIOPAIEDL-UHFFFAOYSA-N 0 1 298.386 2.449 20 10 CECDMN COCCCN(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862234635 646373258 /nfs/dbraw/zinc/37/32/58/646373258.db2.gz VMWGIEJHOFOFLW-UHFFFAOYSA-N 0 1 272.339 2.499 20 10 CECDMN C[C@@H]1COCCN1Cc1cc(Cl)cc(F)c1O ZINC000775182396 646929078 /nfs/dbraw/zinc/92/90/78/646929078.db2.gz TZNZPBMBYRKLRD-MRVPVSSYSA-N 0 1 259.708 2.405 20 10 CECDMN COc1ccc(O)c(CNCc2cccc(F)n2)c1 ZINC000776252682 647042346 /nfs/dbraw/zinc/04/23/46/647042346.db2.gz VUZOWYKPBMUHLS-UHFFFAOYSA-N 0 1 262.284 2.225 20 10 CECDMN Fc1cc(CN2CC=CCC2)ccc1N1CCOCC1 ZINC000779164771 647294043 /nfs/dbraw/zinc/29/40/43/647294043.db2.gz ZNSPPNDQOWAJSS-UHFFFAOYSA-N 0 1 276.355 2.424 20 10 CECDMN CCOC(=O)c1cc(CNCc2cc(C)ccc2O)on1 ZINC000865764549 647456678 /nfs/dbraw/zinc/45/66/78/647456678.db2.gz FEVLJPXUSBHUOX-UHFFFAOYSA-N 0 1 290.319 2.155 20 10 CECDMN CCN(CC(=O)OC)Cc1c(O)ccc(Cl)c1F ZINC000792167776 648618352 /nfs/dbraw/zinc/61/83/52/648618352.db2.gz QYMCLUPCWKBXNG-UHFFFAOYSA-N 0 1 275.707 2.180 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]1CO ZINC000792181175 648620887 /nfs/dbraw/zinc/62/08/87/648620887.db2.gz XPCJLWNDQXWDIH-GZMMTYOYSA-N 0 1 273.735 2.387 20 10 CECDMN Cc1cc(CN2CCCNC(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000872825620 649496850 /nfs/dbraw/zinc/49/68/50/649496850.db2.gz MHDQYNYMMCMWQR-UHFFFAOYSA-N 0 1 290.407 2.320 20 10 CECDMN CCCOc1ccc(CNC[C@@H](C)S(C)(=O)=O)cc1C ZINC000873096302 649558349 /nfs/dbraw/zinc/55/83/49/649558349.db2.gz VXFGZMQBYAUAIP-CYBMUJFWSA-N 0 1 299.436 2.307 20 10 CECDMN Cc1nc(C(C)(C)NCc2cc(F)cc(F)c2O)no1 ZINC000882986888 652307335 /nfs/dbraw/zinc/30/73/35/652307335.db2.gz MJYUBCZVKDAWRU-UHFFFAOYSA-N 0 1 283.278 2.387 20 10 CECDMN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000883122312 652369048 /nfs/dbraw/zinc/36/90/48/652369048.db2.gz ISZRHDMJTLNHSM-SNVBAGLBSA-N 0 1 279.290 2.041 20 10 CECDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001142509059 806609342 /nfs/dbraw/zinc/60/93/42/806609342.db2.gz VWXPIWNELMKGSI-CQSZACIVSA-N 0 1 289.297 2.357 20 10 CECDMN C[C@]1(O)CCCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142509160 806609435 /nfs/dbraw/zinc/60/94/35/806609435.db2.gz ZAPOUQGXQWGFKK-AWEZNQCLSA-N 0 1 271.307 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CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1[O-] ZINC000286496824 375972138 /nfs/dbraw/zinc/97/21/38/375972138.db2.gz MEUMOQVRONXVNG-ZIAGYGMSSA-N 0 1 281.327 2.079 20 10 CECDMN COc1cccc(CN2CCOC[C@@H]2C2CC2)c1O ZINC000093645667 394668992 /nfs/dbraw/zinc/66/89/92/394668992.db2.gz PWBVAJWELBKQIP-CYBMUJFWSA-N 0 1 263.337 2.012 20 10 CECDMN C[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCOC1 ZINC000132774140 394937726 /nfs/dbraw/zinc/93/77/26/394937726.db2.gz JDQDDOCGGXHGJX-LLVKDONJSA-N 0 1 286.169 2.375 20 10 CECDMN C[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCOC1 ZINC000132774140 394937731 /nfs/dbraw/zinc/93/77/31/394937731.db2.gz JDQDDOCGGXHGJX-LLVKDONJSA-N 0 1 286.169 2.375 20 10 CECDMN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000373739231 395065196 /nfs/dbraw/zinc/06/51/96/395065196.db2.gz VOHJHMFYEHLAQR-LQJRIPTKSA-N 0 1 294.782 2.131 20 10 CECDMN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000373739231 395065199 /nfs/dbraw/zinc/06/51/99/395065199.db2.gz 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Oc1cc2c(cc1CN1CCO[C@@H](C3CC3)C1)CCC2 ZINC000776770413 647088964 /nfs/dbraw/zinc/08/89/64/647088964.db2.gz AGEBZRNOOODEKT-QGZVFWFLSA-N 0 1 273.376 2.492 20 10 CECDMN COc1cccc(O)c1CN1CCO[C@@H](C(C)C)C1 ZINC000779149231 647291816 /nfs/dbraw/zinc/29/18/16/647291816.db2.gz CITHFFBHAUCQJF-OAHLLOKOSA-N 0 1 265.353 2.258 20 10 CECDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@H]1O ZINC000779199544 647295868 /nfs/dbraw/zinc/29/58/68/647295868.db2.gz DZALXAZLAWQBBJ-BXKDBHETSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@H]1O ZINC000779199544 647295870 /nfs/dbraw/zinc/29/58/70/647295870.db2.gz DZALXAZLAWQBBJ-BXKDBHETSA-N 0 1 255.745 2.248 20 10 CECDMN COc1ccc(CN[C@@H](C)[C@@H](O)C(F)(F)F)cc1C ZINC000865712242 647435280 /nfs/dbraw/zinc/43/52/80/647435280.db2.gz YKZVYGXPLAGWPT-JOYOIKCWSA-N 0 1 277.286 2.405 20 10 CECDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC1(CO)CC1 ZINC000783734567 647752436 /nfs/dbraw/zinc/75/24/36/647752436.db2.gz UFLQUJQTNRDAAH-UHFFFAOYSA-N 0 1 273.735 2.389 20 10 CECDMN CC[C@@H](NCc1nnnn1CC1CC1)c1ccccc1O ZINC000784266646 647826174 /nfs/dbraw/zinc/82/61/74/647826174.db2.gz XIUZIJAYOJSMMZ-CYBMUJFWSA-N 0 1 287.367 2.030 20 10 CECDMN COc1cccc(O)c1C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000784670688 647873532 /nfs/dbraw/zinc/87/35/32/647873532.db2.gz PARFHZDEBRVMGW-HAQNSBGRSA-N 0 1 265.353 2.136 20 10 CECDMN CCc1cc(CNC(=O)N[C@@H](C)c2ccccc2O)n[nH]1 ZINC000868291067 648090518 /nfs/dbraw/zinc/09/05/18/648090518.db2.gz ADJPMYSETGIQDI-JTQLQIEISA-N 0 1 288.351 2.238 20 10 CECDMN COc1ccc(N2CCN(CCC[C@H](C)O)CC2)cc1F ZINC000789328556 648288147 /nfs/dbraw/zinc/28/81/47/648288147.db2.gz XMWZIWHHJMRNQI-ZDUSSCGKSA-N 0 1 296.386 2.117 20 10 CECDMN CC(C)([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000789897414 648352787 /nfs/dbraw/zinc/35/27/87/648352787.db2.gz IXDNDDSBKNOXMO-UHFFFAOYSA-N 0 1 261.680 2.138 20 10 CECDMN Cc1ccc(C)n1-c1ccc(C(=O)Nc2c[nH]nn2)cc1 ZINC000789928698 648358518 /nfs/dbraw/zinc/35/85/18/648358518.db2.gz XZIGEZUMZDTTFV-UHFFFAOYSA-N 0 1 281.319 2.465 20 10 CECDMN CC(=O)c1ccc(O)c(NC(=O)c2cccc(O)c2O)c1 ZINC000790919555 648461112 /nfs/dbraw/zinc/46/11/12/648461112.db2.gz QEAMMRLIRFNPEK-UHFFFAOYSA-N 0 1 287.271 2.258 20 10 CECDMN Oc1ccc(Cl)c(F)c1CNCc1cocn1 ZINC000790961492 648464940 /nfs/dbraw/zinc/46/49/40/648464940.db2.gz WDTAJSYFGXKFAR-UHFFFAOYSA-N 0 1 256.664 2.463 20 10 CECDMN C[C@@]1(O)CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792171181 648618799 /nfs/dbraw/zinc/61/87/99/648618799.db2.gz ZCCCZDYLRPORFD-GFCCVEGCSA-N 0 1 259.708 2.141 20 10 CECDMN Cc1nccnc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000882879725 652246846 /nfs/dbraw/zinc/24/68/46/652246846.db2.gz JLQIZBHQYAOAHN-UHFFFAOYSA-N 0 1 297.406 2.149 20 10 CECDMN [O-]c1cc(F)c(F)cc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001142527378 806620341 /nfs/dbraw/zinc/62/03/41/806620341.db2.gz SOKMVPQZLFCESQ-OWUUHHOZSA-N 0 1 257.255 2.318 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+](C)CC2(C)COC2)c1[O-] ZINC000703023354 809612052 /nfs/dbraw/zinc/61/20/52/809612052.db2.gz VDXZNGBGACXDPB-UHFFFAOYSA-N 0 1 281.327 2.202 20 10 CECDMN CC[C@H]1CN(Cc2cccc(OC)c2O)[C@H](C)CO1 ZINC000403841969 803133087 /nfs/dbraw/zinc/13/30/87/803133087.db2.gz STRMGJFQZCWEBI-YPMHNXCESA-N 0 1 265.353 2.400 20 10 CECDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140582129 803177505 /nfs/dbraw/zinc/17/75/05/803177505.db2.gz DLOXZHMPERDWKH-SCZZXKLOSA-N 0 1 257.280 2.016 20 10 CECDMN [O-]c1c(F)cc(F)cc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000708423330 803364924 /nfs/dbraw/zinc/36/49/24/803364924.db2.gz SBXHAPVWOGCJHQ-ZDUSSCGKSA-N 0 1 282.334 2.341 20 10 CECDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724813910 803478270 /nfs/dbraw/zinc/47/82/70/803478270.db2.gz ITDAMGGBJVWBFU-GWCFXTLKSA-N 0 1 251.301 2.142 20 10 CECDMN C[C@H]1C[N@@H+](Cc2c(F)ccc(F)c2[O-])CCCC1=O ZINC001139685885 804455823 /nfs/dbraw/zinc/45/58/23/804455823.db2.gz ZXARVSGTANNZCH-VIFPVBQESA-N 0 1 269.291 2.471 20 10 CECDMN C[C@H]1C[N@H+](Cc2c(F)ccc(F)c2[O-])CCCC1=O ZINC001139685885 804455819 /nfs/dbraw/zinc/45/58/19/804455819.db2.gz 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[O-]c1c(F)cccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000272217371 373365507 /nfs/dbraw/zinc/36/55/07/373365507.db2.gz BJLXRWOJAKGRRB-CYBMUJFWSA-N 0 1 251.301 2.142 20 10 CECDMN COc1ccc(O)c(C[N@H+]2CCCSCC2)c1 ZINC000272759216 373646817 /nfs/dbraw/zinc/64/68/17/373646817.db2.gz LDNCGDWTGOYKOV-UHFFFAOYSA-N 0 1 253.367 2.340 20 10 CECDMN COc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000375301231 374651332 /nfs/dbraw/zinc/65/13/32/374651332.db2.gz FQLAXIANTVNBKJ-MRXNPFEDSA-N 0 1 277.364 2.403 20 10 CECDMN COC[C@@H]1CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000293780070 377754641 /nfs/dbraw/zinc/75/46/41/377754641.db2.gz ZDERBXKDXDILCT-LBPRGKRZSA-N 0 1 252.333 2.112 20 10 CECDMN C[C@]1([NH2+]Cc2cc(Br)ccc2[O-])CCOC1 ZINC000120127494 394776069 /nfs/dbraw/zinc/77/60/69/394776069.db2.gz IEAUNXYFIXWOAM-LBPRGKRZSA-N 0 1 286.169 2.423 20 10 CECDMN CC(=O)c1cc(F)cc(CN2CCC[C@@](C)(O)C2)c1O ZINC000124254472 394837645 /nfs/dbraw/zinc/83/76/45/394837645.db2.gz VUGQKRYIXDUYPM-OAHLLOKOSA-N 0 1 281.327 2.081 20 10 CECDMN CC[NH+](CC)[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000160233487 395060362 /nfs/dbraw/zinc/06/03/62/395060362.db2.gz WGWBXROGGQWWJE-CYBMUJFWSA-N 0 1 266.360 2.447 20 10 CECDMN CN(C)c1ccc(CNCc2ccc(CO)o2)cc1F ZINC000174323753 395122808 /nfs/dbraw/zinc/12/28/08/395122808.db2.gz FKQPXJJGDIJYDS-UHFFFAOYSA-N 0 1 278.327 2.267 20 10 CECDMN CCC[N@H+](Cc1ccccc1O)CC(OC)OC ZINC000161328071 261244669 /nfs/dbraw/zinc/24/46/69/261244669.db2.gz TXGUBTQYSIJVRP-UHFFFAOYSA-N 0 1 253.342 2.223 20 10 CECDMN C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Cl)ccc1[O-] ZINC000185502474 262056943 /nfs/dbraw/zinc/05/69/43/262056943.db2.gz QUQLMOYFWUWLPP-ONGXEEELSA-N 0 1 282.771 2.317 20 10 CECDMN CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000186223573 262085158 /nfs/dbraw/zinc/08/51/58/262085158.db2.gz MDHUWNOILBADHX-SECBINFHSA-N 0 1 284.787 2.468 20 10 CECDMN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])CC12CCC2 ZINC000370085416 267290271 /nfs/dbraw/zinc/29/02/71/267290271.db2.gz VOWMKAMAUMUFDO-LBPRGKRZSA-N 0 1 293.338 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CECDMN CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(F)F ZINC000824510761 635439471 /nfs/dbraw/zinc/43/94/71/635439471.db2.gz ZRMRWQJSHUZJSD-SECBINFHSA-N 0 1 260.240 2.434 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)cc1Cl ZINC000825291354 635606488 /nfs/dbraw/zinc/60/64/88/635606488.db2.gz KAQQMVIBSRAYNN-GFCCVEGCSA-N 0 1 296.798 2.453 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)N(C)C)cc1Cl ZINC000825425549 635636121 /nfs/dbraw/zinc/63/61/21/635636121.db2.gz BTFZGMROEJHVOG-SNVBAGLBSA-N 0 1 256.777 2.394 20 10 CECDMN C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Br)cc1O ZINC000825666417 635689273 /nfs/dbraw/zinc/68/92/73/635689273.db2.gz IUKKPVABAHZUOT-GZMMTYOYSA-N 0 1 286.169 2.110 20 10 CECDMN C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825666417 635689276 /nfs/dbraw/zinc/68/92/76/635689276.db2.gz IUKKPVABAHZUOT-GZMMTYOYSA-N 0 1 286.169 2.110 20 10 CECDMN C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825666417 635689283 /nfs/dbraw/zinc/68/92/83/635689283.db2.gz 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CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841743463 639855627 /nfs/dbraw/zinc/85/56/27/639855627.db2.gz HEQBUSHTWVDINW-SNVBAGLBSA-N 0 1 284.787 2.468 20 10 CECDMN C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(Cl)cc1[O-] ZINC000841748534 639856343 /nfs/dbraw/zinc/85/63/43/639856343.db2.gz AMMCJSMZCQNGEE-OTYXRUKQSA-N 0 1 295.770 2.163 20 10 CECDMN C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841752062 639858857 /nfs/dbraw/zinc/85/88/57/639858857.db2.gz FOYSZFOEELTGMT-HZMBPMFUSA-N 0 1 299.798 2.484 20 10 CECDMN COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841763238 639860180 /nfs/dbraw/zinc/86/01/80/639860180.db2.gz LMLHXGIXEALYMC-YGRLFVJLSA-N 0 1 287.787 2.484 20 10 CECDMN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC2(CCC2)O1 ZINC000842644712 640133233 /nfs/dbraw/zinc/13/32/33/640133233.db2.gz TZCDLADTVGIMAS-NSHDSACASA-N 0 1 291.347 2.264 20 10 CECDMN CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(O)c1 ZINC000843041148 640248052 /nfs/dbraw/zinc/24/80/52/640248052.db2.gz 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CO[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)[C@H]1CCOC1 ZINC000850343762 642674153 /nfs/dbraw/zinc/67/41/53/642674153.db2.gz WNXPKAYABRKIAZ-HZMBPMFUSA-N 0 1 285.771 2.187 20 10 CECDMN Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000877637700 650828542 /nfs/dbraw/zinc/82/85/42/650828542.db2.gz ZNIWWITUCKMBGR-CQSZACIVSA-N 0 1 290.407 2.437 20 10 CECDMN Cc1ccc(O)c(CN2Cc3cccc(O)c3C2)n1 ZINC000877703131 650859763 /nfs/dbraw/zinc/85/97/63/650859763.db2.gz SIZPUOAXGMFKGS-UHFFFAOYSA-N 0 1 256.305 2.317 20 10 CECDMN CCOC(=O)c1cc(CNCc2c(C)cccc2O)on1 ZINC000877711475 650865471 /nfs/dbraw/zinc/86/54/71/650865471.db2.gz KUMAHKBIRNROKT-UHFFFAOYSA-N 0 1 290.319 2.155 20 10 CECDMN COCCN(CCF)Cc1cc(C)cc(C)c1O ZINC000853548750 643812062 /nfs/dbraw/zinc/81/20/62/643812062.db2.gz NULNHEKIJTUGSW-UHFFFAOYSA-N 0 1 255.333 2.427 20 10 CECDMN COCCOC1CN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000838986506 644111332 /nfs/dbraw/zinc/11/13/32/644111332.db2.gz ISOCJGCBBKFSMO-UHFFFAOYSA-N 0 1 289.734 2.032 20 10 CECDMN COCCOC1CN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000838987576 644111435 /nfs/dbraw/zinc/11/14/35/644111435.db2.gz ORHRGMQQUHRQDG-UHFFFAOYSA-N 0 1 289.734 2.032 20 10 CECDMN COc1cc(O)c(CN2CC3(CC(F)C3)C2)cc1OC ZINC000839140118 644171633 /nfs/dbraw/zinc/17/16/33/644171633.db2.gz NWSQDLLOEZQCLA-UHFFFAOYSA-N 0 1 281.327 2.343 20 10 CECDMN C[C@H]([NH2+]Cc1ccon1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756638998 644676933 /nfs/dbraw/zinc/67/69/33/644676933.db2.gz XVDJZDHVQNNPNR-QMMMGPOBSA-N 0 1 263.253 2.139 20 10 CECDMN CN(C)c1ccc(CN[C@H](CO)CC(F)(F)F)cc1F ZINC000756996499 644716803 /nfs/dbraw/zinc/71/68/03/644716803.db2.gz QNNJOCGODZVVSS-JTQLQIEISA-N 0 1 294.292 2.295 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c1[O-] ZINC000856792236 644727379 /nfs/dbraw/zinc/72/73/79/644727379.db2.gz LOTUOEOQUJTUAY-GWCFXTLKSA-N 0 1 295.354 2.184 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c1[O-] ZINC000856792236 644727383 /nfs/dbraw/zinc/72/73/83/644727383.db2.gz LOTUOEOQUJTUAY-GWCFXTLKSA-N 0 1 295.354 2.184 20 10 CECDMN CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@H](CO)C2)c1O ZINC000856792236 644727388 /nfs/dbraw/zinc/72/73/88/644727388.db2.gz LOTUOEOQUJTUAY-GWCFXTLKSA-N 0 1 295.354 2.184 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000758503277 644935325 /nfs/dbraw/zinc/93/53/25/644935325.db2.gz FFHHJUJTNHRTOU-JTQLQIEISA-N 0 1 277.755 2.416 20 10 CECDMN C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(Cl)cc1[O-] ZINC000858435820 645158941 /nfs/dbraw/zinc/15/89/41/645158941.db2.gz UMFDFNHPJRQPII-SKDRFNHKSA-N 0 1 295.770 2.163 20 10 CECDMN C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc2ccccc2c1[O-] ZINC000858494563 645180825 /nfs/dbraw/zinc/18/08/25/645180825.db2.gz KVKKEINFQAJLKI-DRZSPHRISA-N 0 1 284.359 2.460 20 10 CECDMN CCC[NH+](CCC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441410 646122441 /nfs/dbraw/zinc/12/24/41/646122441.db2.gz LGAJKYKJBNCQIQ-CQSZACIVSA-N 0 1 265.353 2.440 20 10 CECDMN C[C@@H](CCO)[N@H+](C)Cc1c([O-])cccc1Br ZINC000862402516 646441790 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CC[C@@H]([NH2+]CC1(CO)COC1)c1cc(Cl)ccc1[O-] ZINC000775522528 646962754 /nfs/dbraw/zinc/96/27/54/646962754.db2.gz SLYXKEHSNGCBRL-GFCCVEGCSA-N 0 1 285.771 2.095 20 10 CECDMN COC(=O)C(C)(C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000775675236 646979184 /nfs/dbraw/zinc/97/91/84/646979184.db2.gz UXFIUSRIXCSUTJ-UHFFFAOYSA-N 0 1 271.744 2.429 20 10 CECDMN COC(=O)C(C)(C)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000775675236 646979187 /nfs/dbraw/zinc/97/91/87/646979187.db2.gz UXFIUSRIXCSUTJ-UHFFFAOYSA-N 0 1 271.744 2.429 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2C[C@@H]([NH3+])C[C@@H]2C)c1[O-] ZINC000866684008 647867442 /nfs/dbraw/zinc/86/74/42/647867442.db2.gz UIXCNYRFRFXZPS-UFBFGSQYSA-N 0 1 282.771 2.170 20 10 CECDMN Oc1c(Cl)cccc1CN1C[C@H](O)CC(F)(F)C1 ZINC000787438711 648109029 /nfs/dbraw/zinc/10/90/29/648109029.db2.gz VQEYUEIMCCJYJM-SECBINFHSA-N 0 1 277.698 2.248 20 10 CECDMN CC[N@@H+](CCCO)Cc1c([O-])ccc(Cl)c1F ZINC000792166884 648618398 /nfs/dbraw/zinc/61/83/98/648618398.db2.gz VDOYGWWNVQFBBW-UHFFFAOYSA-N 0 1 261.724 2.389 20 10 CECDMN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@@H]1O ZINC000792173171 648618859 /nfs/dbraw/zinc/61/88/59/648618859.db2.gz TXCRVBIOMXSEJI-PELKAZGASA-N 0 1 273.735 2.387 20 10 CECDMN Cc1ccc(CN(CCO)Cc2cc(F)ccc2O)o1 ZINC000793364300 648746654 /nfs/dbraw/zinc/74/66/54/648746654.db2.gz DKKDFCCPXFIESZ-UHFFFAOYSA-N 0 1 279.311 2.427 20 10 CECDMN CCCN1CC(=O)N[C@H]1c1cc(Cl)c(F)cc1O ZINC000840826297 648789843 /nfs/dbraw/zinc/78/98/43/648789843.db2.gz KIDHCZZAQNQFPA-GFCCVEGCSA-N 0 1 272.707 2.025 20 10 CECDMN CN1CCN(Cc2cc(F)ccc2O)Cc2cccnc21 ZINC000872267147 649334537 /nfs/dbraw/zinc/33/45/37/649334537.db2.gz KYGRSSGUYNIGEN-UHFFFAOYSA-N 0 1 287.338 2.378 20 10 CECDMN C[C@@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1ccccc1O ZINC000879649088 651335181 /nfs/dbraw/zinc/33/51/81/651335181.db2.gz IBRNCGLWLUCDGJ-SECBINFHSA-N 0 1 290.285 2.111 20 10 CECDMN [O-]c1ccc(Cl)c(Cl)c1CN1CCC[NH2+]CC1 ZINC001204684732 806059024 /nfs/dbraw/zinc/05/90/24/806059024.db2.gz LOMHMCZCAONYHV-UHFFFAOYSA-N 0 1 275.179 2.494 20 10 CECDMN Cc1noc([C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001142527219 806620679 /nfs/dbraw/zinc/62/06/79/806620679.db2.gz OSNQHDTZULICMN-SECBINFHSA-N 0 1 295.289 2.351 20 10 CECDMN COC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527332 806620440 /nfs/dbraw/zinc/62/04/40/806620440.db2.gz RQYXTEDIXFWRGG-JTQLQIEISA-N 0 1 299.317 2.446 20 10 CECDMN CC[N@@H+]1CCN(Cc2cc(F)c(F)cc2[O-])[C@H](C)C1 ZINC001142534624 806623448 /nfs/dbraw/zinc/62/34/48/806623448.db2.gz QDLNIBISALLLQS-SNVBAGLBSA-N 0 1 270.323 2.196 20 10 CECDMN CC[N@H+]1CCN(Cc2cc(F)c(F)cc2[O-])[C@H](C)C1 ZINC001142534624 806623449 /nfs/dbraw/zinc/62/34/49/806623449.db2.gz QDLNIBISALLLQS-SNVBAGLBSA-N 0 1 270.323 2.196 20 10 CECDMN CCN1CCC([N@@H+](C)Cc2cccc(F)c2[O-])CC1 ZINC000160193144 806859347 /nfs/dbraw/zinc/85/93/47/806859347.db2.gz TVTJIHNBRHDDGS-UHFFFAOYSA-N 0 1 266.360 2.447 20 10 CECDMN CC1(O)CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461032 802934728 /nfs/dbraw/zinc/93/47/28/802934728.db2.gz BVCAOSSEDRXLSD-UHFFFAOYSA-N 0 1 255.745 2.392 20 10 CECDMN O=C([O-])[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C1CCC1 ZINC000708089367 803176483 /nfs/dbraw/zinc/17/64/83/803176483.db2.gz LTSCLPWAVHDYRB-LLVKDONJSA-N 0 1 271.263 2.013 20 10 CECDMN CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2c([O-])cc(F)cc2F)C1 ZINC001140585930 803187995 /nfs/dbraw/zinc/18/79/95/803187995.db2.gz WMBQPMHUSUGZGB-GFCCVEGCSA-N 0 1 298.333 2.113 20 10 CECDMN COC(OC)[C@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000127331264 803302667 /nfs/dbraw/zinc/30/26/67/803302667.db2.gz JVDIECHVBDITEE-QMMMGPOBSA-N 0 1 259.733 2.143 20 10 CECDMN CCN(CC)c1ccc(CN2C[C@@H](OC)[C@@H](F)C2)c(O)c1 ZINC001140850748 803583591 /nfs/dbraw/zinc/58/35/91/803583591.db2.gz SHSJJIGCLPULGG-GOEBONIOSA-N 0 1 296.386 2.407 20 10 CECDMN Oc1ccc(O)c(CN2CC3(C2)C[C@@H](F)CS3)c1 ZINC001141160961 803760845 /nfs/dbraw/zinc/76/08/45/803760845.db2.gz KYMDZAUFICHGNA-SNVBAGLBSA-N 0 1 269.341 2.127 20 10 CECDMN COc1ccc(CN2C[C@H](F)[C@@H](OC)C2)c(O)c1Cl ZINC001236804360 808167258 /nfs/dbraw/zinc/16/72/58/808167258.db2.gz YHPBPQUWWOBZDL-ONGXEEELSA-N 0 1 289.734 2.223 20 10 CECDMN CC[C@H]1COCCN1Cc1c(C)cc(OC)cc1O ZINC001236811627 808168883 /nfs/dbraw/zinc/16/88/83/808168883.db2.gz UECJXQDHVCWOMT-LBPRGKRZSA-N 0 1 265.353 2.320 20 10 CECDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CC[NH+](C)C1 ZINC000703499994 809653099 /nfs/dbraw/zinc/65/30/99/809653099.db2.gz BCPRRKWTBKFCCV-JTQLQIEISA-N 0 1 270.323 2.054 20 10 CECDMN C[NH+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CC[N@H+](C)C1 ZINC000703499994 809653103 /nfs/dbraw/zinc/65/31/03/809653103.db2.gz BCPRRKWTBKFCCV-JTQLQIEISA-N 0 1 270.323 2.054 20 10 CECDMN CN1CC[C@H](C[N@H+](C)Cc2ccc(F)c(F)c2[O-])C1 ZINC000703499994 809653111 /nfs/dbraw/zinc/65/31/11/809653111.db2.gz BCPRRKWTBKFCCV-JTQLQIEISA-N 0 1 270.323 2.054 20 10 CECDMN CN1CC[C@H](C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])C1 ZINC000703499994 809653115 /nfs/dbraw/zinc/65/31/15/809653115.db2.gz BCPRRKWTBKFCCV-JTQLQIEISA-N 0 1 270.323 2.054 20 10 CECDMN CCO[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703517063 809653857 /nfs/dbraw/zinc/65/38/57/809653857.db2.gz IFYMMLSOJULWJO-JTQLQIEISA-N 0 1 257.280 2.281 20 10 CECDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCCO1 ZINC000706871485 809858460 /nfs/dbraw/zinc/85/84/60/809858460.db2.gz AFEDUBJAPVJNRI-SECBINFHSA-N 0 1 286.169 2.423 20 10 CECDMN CO[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707129482 809880666 /nfs/dbraw/zinc/88/06/66/809880666.db2.gz AFORGOOKHAQVNE-SECBINFHSA-N 0 1 286.169 2.375 20 10 CECDMN CO[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707129482 809880649 /nfs/dbraw/zinc/88/06/49/809880649.db2.gz AFORGOOKHAQVNE-SECBINFHSA-N 0 1 286.169 2.375 20 10 CECDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000707546827 809911767 /nfs/dbraw/zinc/91/17/67/809911767.db2.gz QNNULMWMTINRCW-DKTWLAJQSA-N 0 1 286.169 2.015 20 10 CECDMN Oc1c(F)cc(F)cc1CN1CCO[C@H](CCF)C1 ZINC000708386501 809928612 /nfs/dbraw/zinc/92/86/12/809928612.db2.gz VHDFPJWKQWLCPR-LLVKDONJSA-N 0 1 275.270 2.231 20 10 CECDMN C[C@@H](O)CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000114770871 810479682 /nfs/dbraw/zinc/47/96/82/810479682.db2.gz YAJDXWGFRQPKTK-MRVPVSSYSA-N 0 1 274.158 2.015 20 10 CECDMN CCCC[N@H+](Cc1ccccc1O)C[C@H](O)C(C)(C)O ZINC001169755498 811655335 /nfs/dbraw/zinc/65/53/35/811655335.db2.gz YEIPVVKVCCDSQV-HNNXBMFYSA-N 0 1 281.396 2.126 20 10 CECDMN C[C@H](CCCO)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691453595 811858099 /nfs/dbraw/zinc/85/80/99/811858099.db2.gz IUGMLSWREJQOEJ-SECBINFHSA-N 0 1 288.185 2.405 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CCc1cnccn1 ZINC000389985442 813258162 /nfs/dbraw/zinc/25/81/62/813258162.db2.gz CYRDGZQXYIGLDS-UHFFFAOYSA-N 0 1 263.728 2.168 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2c([O-])cccc2F)CC[C@H]1O ZINC001137831680 815690542 /nfs/dbraw/zinc/69/05/42/815690542.db2.gz JVCZKRHVHRANNH-GXFFZTMASA-N 0 1 253.317 2.124 20 10 CECDMN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001137832038 815690589 /nfs/dbraw/zinc/69/05/89/815690589.db2.gz XXPLGPZQNGGHLP-CQSZACIVSA-N 0 1 271.307 2.218 20 10 CECDMN C[N@@H+](Cc1c([O-])cccc1F)[C@H]1CC[C@H](O)CC1 ZINC001137833166 815692505 /nfs/dbraw/zinc/69/25/05/815692505.db2.gz VQUIJKLCNCZVMX-XYPYZODXSA-N 0 1 253.317 2.267 20 10 CECDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])[C@H]1C ZINC001138128369 815733795 /nfs/dbraw/zinc/73/37/95/815733795.db2.gz FUEPEAUBHZRMJO-CMPLNLGQSA-N 0 1 281.327 2.305 20 10 CECDMN C[C@@H]1C[C@H](F)CN1Cc1ccc(N2CCOCC2)cc1 ZINC001138494992 815816513 /nfs/dbraw/zinc/81/65/13/815816513.db2.gz AOIPPCVISLMSNA-HIFRSBDPSA-N 0 1 278.371 2.456 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001139684061 816081770 /nfs/dbraw/zinc/08/17/70/816081770.db2.gz GMMYYOKXBDSHRF-CQSZACIVSA-N 0 1 289.297 2.357 20 10 CECDMN CNc1nccc(CN(C)Cc2ccc(N(C)C)cc2)n1 ZINC001140049216 816174891 /nfs/dbraw/zinc/17/48/91/816174891.db2.gz MIPYMIZVPKABOW-UHFFFAOYSA-N 0 1 285.395 2.216 20 10 CECDMN Cc1ccc(C)c(CN2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC001140184059 816205844 /nfs/dbraw/zinc/20/58/44/816205844.db2.gz LKAKQCUHFBHYOL-CYBMUJFWSA-N 0 1 297.420 2.018 20 10 CECDMN Oc1cccc(Cl)c1CN1CC[C@@]12CCOC2 ZINC001140342287 816238259 /nfs/dbraw/zinc/23/82/59/816238259.db2.gz BOLCUCDFZZEHRA-ZDUSSCGKSA-N 0 1 253.729 2.410 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(n2cnnc2)CC1 ZINC001140341193 816238730 /nfs/dbraw/zinc/23/87/30/816238730.db2.gz BOVZZBSBYYMPRA-UHFFFAOYSA-N 0 1 292.770 2.474 20 10 CECDMN COC(C[N@@H+](C)Cc1ccc(Cl)cc1[O-])OC ZINC001140465575 816259553 /nfs/dbraw/zinc/25/95/53/816259553.db2.gz NUYBRCMSJKKYKA-UHFFFAOYSA-N 0 1 259.733 2.096 20 10 CECDMN CC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140464455 816259477 /nfs/dbraw/zinc/25/94/77/816259477.db2.gz QQZHGPWSDDTHHD-SNVBAGLBSA-N 0 1 253.729 2.457 20 10 CECDMN CC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140464455 816259481 /nfs/dbraw/zinc/25/94/81/816259481.db2.gz QQZHGPWSDDTHHD-SNVBAGLBSA-N 0 1 253.729 2.457 20 10 CECDMN COC(C[N@H+](C)Cc1ccc(Cl)cc1[O-])OC ZINC001140465575 816259547 /nfs/dbraw/zinc/25/95/47/816259547.db2.gz NUYBRCMSJKKYKA-UHFFFAOYSA-N 0 1 259.733 2.096 20 10 CECDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC(CO)CC1 ZINC001140462811 816261183 /nfs/dbraw/zinc/26/11/83/816261183.db2.gz LISOTYNXPQQWFS-UHFFFAOYSA-N 0 1 255.745 2.250 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC001140582104 816290694 /nfs/dbraw/zinc/29/06/94/816290694.db2.gz DDIVMCZXAKSIAW-SNVBAGLBSA-N 0 1 257.280 2.017 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001140582651 816291335 /nfs/dbraw/zinc/29/13/35/816291335.db2.gz LQYQZKBFRIBUSZ-AWEZNQCLSA-N 0 1 289.297 2.357 20 10 CECDMN CC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583460 816292383 /nfs/dbraw/zinc/29/23/83/816292383.db2.gz HRTCQKQJJWNTAP-JTQLQIEISA-N 0 1 269.291 2.471 20 10 CECDMN CC(C)(O)[C@H]1CCC[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140584350 816292495 /nfs/dbraw/zinc/29/24/95/816292495.db2.gz OEJHAAKZTBBESF-CYBMUJFWSA-N 0 1 271.307 2.406 20 10 CECDMN Cc1c(O)ccc(CN2CCO[C@H](C(C)C)C2)c1O ZINC001140748017 816341304 /nfs/dbraw/zinc/34/13/04/816341304.db2.gz RHKRKEJCZWKJNY-AWEZNQCLSA-N 0 1 265.353 2.263 20 10 CECDMN CO[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508551 816676938 /nfs/dbraw/zinc/67/69/38/816676938.db2.gz CQFFFKGQAAEHMR-JTQLQIEISA-N 0 1 257.280 2.281 20 10 CECDMN CN(C)c1ccc(CNc2ncnc3[nH]cnc32)cc1F ZINC000058545380 343644907 /nfs/dbraw/zinc/64/49/07/343644907.db2.gz BWFMYKPFTDTQDU-UHFFFAOYSA-N 0 1 286.314 2.170 20 10 CECDMN COc1ccc(O)c(CN2C[C@@H](C)OC[C@@H]2C)c1 ZINC000217779216 538888083 /nfs/dbraw/zinc/88/80/83/538888083.db2.gz FASLEKXTSXJBQP-WDEREUQCSA-N 0 1 251.326 2.010 20 10 CECDMN C[N@@H+](CC(=O)N1CCCCCC1)Cc1ccccc1O ZINC000111236160 364725140 /nfs/dbraw/zinc/72/51/40/364725140.db2.gz BSJJJUVNJFGNJG-UHFFFAOYSA-N 0 1 276.380 2.227 20 10 CECDMN CCOC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000113922796 364917858 /nfs/dbraw/zinc/91/78/58/364917858.db2.gz ZMPXYXFXLPNLPJ-LBPRGKRZSA-N 0 1 293.363 2.369 20 10 CECDMN CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000179637633 368346578 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CC[C@H](NCc1nnc2n1CCC2)c1ccccc1O ZINC000271710370 373198055 /nfs/dbraw/zinc/19/80/55/373198055.db2.gz OGRSJQWURRJHPC-LBPRGKRZSA-N 0 1 272.352 2.171 20 10 CECDMN COc1ccc(CN(C)Cc2ccccc2O)nc1 ZINC000271886648 373205924 /nfs/dbraw/zinc/20/59/24/373205924.db2.gz DAEBNBFGLYSJFF-UHFFFAOYSA-N 0 1 258.321 2.428 20 10 CECDMN CC(=O)c1cc(F)cc(CN2[C@@H](C)CCC[C@H]2CO)c1O ZINC000272697732 373618698 /nfs/dbraw/zinc/61/86/98/373618698.db2.gz VPHMXEKKOIMKPZ-HZMBPMFUSA-N 0 1 295.354 2.469 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2[C@@H](C)CCC[C@H]2CO)c1[O-] ZINC000272697732 373618701 /nfs/dbraw/zinc/61/87/01/373618701.db2.gz VPHMXEKKOIMKPZ-HZMBPMFUSA-N 0 1 295.354 2.469 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2[C@@H](C)CCC[C@H]2CO)c1[O-] ZINC000272697732 373618711 /nfs/dbraw/zinc/61/87/11/373618711.db2.gz VPHMXEKKOIMKPZ-HZMBPMFUSA-N 0 1 295.354 2.469 20 10 CECDMN Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000371529025 373912473 /nfs/dbraw/zinc/91/24/73/373912473.db2.gz 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CCC(=O)N1CC[C@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840908802 639580786 /nfs/dbraw/zinc/58/07/86/639580786.db2.gz JWUYKYFEKVTYHK-NSHDSACASA-N 0 1 296.798 2.455 20 10 CECDMN CN1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000227439031 639590566 /nfs/dbraw/zinc/59/05/66/639590566.db2.gz WPMYUCULHVFJOC-GFCCVEGCSA-N 0 1 299.212 2.339 20 10 CECDMN C[C@]1(C(=O)[O-])CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000840998809 639612079 /nfs/dbraw/zinc/61/20/79/639612079.db2.gz SMPWAWVKDAMYEU-ZDUSSCGKSA-N 0 1 287.718 2.481 20 10 CECDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000840998809 639612082 /nfs/dbraw/zinc/61/20/82/639612082.db2.gz SMPWAWVKDAMYEU-ZDUSSCGKSA-N 0 1 287.718 2.481 20 10 CECDMN Cc1cnc(CNCc2cc3c(cc2O)OCO3)s1 ZINC000230686361 639781526 /nfs/dbraw/zinc/78/15/26/639781526.db2.gz XLHZXAAVEIDPSJ-UHFFFAOYSA-N 0 1 278.333 2.176 20 10 CECDMN CC(C)C[C@@H](N)c1noc(Cc2ccc(N)cc2)n1 ZINC000842588640 640110770 /nfs/dbraw/zinc/11/07/70/640110770.db2.gz NRRLRBZEXFPQRX-GFCCVEGCSA-N 0 1 260.341 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[O-]c1c(C[N@@H+](C2CC2)C2COC2)ccc(F)c1F ZINC000877558018 650788115 /nfs/dbraw/zinc/78/81/15/650788115.db2.gz UHNXMVMNLPNDOI-UHFFFAOYSA-N 0 1 255.264 2.034 20 10 CECDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877560782 650789145 /nfs/dbraw/zinc/78/91/45/650789145.db2.gz AOPDIZMUGXTNQN-PWSUYJOCSA-N 0 1 271.307 2.263 20 10 CECDMN COC(OC)[C@H](C)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000922314489 643020825 /nfs/dbraw/zinc/02/08/25/643020825.db2.gz ZBLDXOGFJHZIMA-VIFPVBQESA-N 0 1 273.760 2.451 20 10 CECDMN Cc1cc(C[N@H+]2CCSC[C@H]2C(=O)[O-])ccc1N(C)C ZINC000851705914 643117057 /nfs/dbraw/zinc/11/70/57/643117057.db2.gz YSCPADSXLYKCND-AWEZNQCLSA-N 0 1 294.420 2.063 20 10 CECDMN CC[C@H](CN1CCOCC1)[NH2+]Cc1c([O-])cccc1Cl ZINC000922590883 643148166 /nfs/dbraw/zinc/14/81/66/643148166.db2.gz WLDRNGQWFHFMEN-GFCCVEGCSA-N 0 1 298.814 2.246 20 10 CECDMN CC(=O)c1cc(F)cc(CN(C)Cc2cnc[nH]2)c1O ZINC000852287345 643379841 /nfs/dbraw/zinc/37/98/41/643379841.db2.gz VBHOSNLSHVIREA-UHFFFAOYSA-N 0 1 277.299 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Cc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1O ZINC000818631909 633967815 /nfs/dbraw/zinc/96/78/15/633967815.db2.gz VPTCTSVPGQUPNU-GWCFXTLKSA-N 0 1 263.337 2.386 20 10 CECDMN COc1nn(C)cc1CN[C@H](C)c1cc(F)ccc1O ZINC000903337665 635067988 /nfs/dbraw/zinc/06/79/88/635067988.db2.gz KYYQPGQVFNBPGC-SECBINFHSA-N 0 1 279.315 2.124 20 10 CECDMN Cc1ncc(CN(C)Cc2ccc(N(C)C)cc2)n1C ZINC000824474750 635433882 /nfs/dbraw/zinc/43/38/82/635433882.db2.gz RZXBAHXNDWGHHJ-UHFFFAOYSA-N 0 1 272.396 2.427 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](C)CN2CCOCC2)cc1Cl ZINC000825114716 635572234 /nfs/dbraw/zinc/57/22/34/635572234.db2.gz VTDIRDHYFNKYMO-GFCCVEGCSA-N 0 1 298.814 2.164 20 10 CECDMN COc1cccnc1CNCc1cc(C)ccc1O ZINC000825249927 635599668 /nfs/dbraw/zinc/59/96/68/635599668.db2.gz RBWPAPCLLMKXAC-UHFFFAOYSA-N 0 1 258.321 2.394 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(C(C)C)C2=O)cc1Cl ZINC000825291067 635606752 /nfs/dbraw/zinc/60/67/52/635606752.db2.gz DCPGBHXIJPMWJL-ZDUSSCGKSA-N 0 1 296.798 2.453 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H]2CC(=O)N(C(C)C)C2)cc1Cl ZINC000825291356 635606806 /nfs/dbraw/zinc/60/68/06/635606806.db2.gz KAQQMVIBSRAYNN-LBPRGKRZSA-N 0 1 296.798 2.453 20 10 CECDMN C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000825315446 635614096 /nfs/dbraw/zinc/61/40/96/635614096.db2.gz AUIDHNGDPCIFKL-SCZZXKLOSA-N 0 1 273.735 2.387 20 10 CECDMN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825384894 635628871 /nfs/dbraw/zinc/62/88/71/635628871.db2.gz LIBKUUGZPQZSGF-YPMHNXCESA-N 0 1 296.798 2.358 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](O)C[C@@H]2C)cc1Cl ZINC000825666088 635689077 /nfs/dbraw/zinc/68/90/77/635689077.db2.gz GWCKXIWNWMVLBU-ONGXEEELSA-N 0 1 255.745 2.309 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](O)C[C@@H]2C)cc1Cl ZINC000825666088 635689082 /nfs/dbraw/zinc/68/90/82/635689082.db2.gz GWCKXIWNWMVLBU-ONGXEEELSA-N 0 1 255.745 2.309 20 10 CECDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Br)cc1O ZINC000825666418 635689571 /nfs/dbraw/zinc/68/95/71/635689571.db2.gz 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/nfs/dbraw/zinc/46/39/00/636463900.db2.gz HHXXRBLQNPCBOT-YPMHNXCESA-N 0 1 262.353 2.054 20 10 CECDMN CN(C)c1ccc(CN2CCO[C@@]3(CCSC3)C2)cc1 ZINC000829251487 636812247 /nfs/dbraw/zinc/81/22/47/636812247.db2.gz ZAUPYWXMUDZQPP-INIZCTEOSA-N 0 1 292.448 2.461 20 10 CECDMN COC(=O)c1[nH]c(CN(C)Cc2ccccc2O)cc1C ZINC000876615461 650360458 /nfs/dbraw/zinc/36/04/58/650360458.db2.gz FQCQWDZBRRWEHO-UHFFFAOYSA-N 0 1 288.347 2.447 20 10 CECDMN C[C@H](C[S@@](C)=O)N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835047272 638037784 /nfs/dbraw/zinc/03/77/84/638037784.db2.gz FBHKTHQIYNADRF-MUIAWISWSA-N 0 1 294.464 2.465 20 10 CECDMN [O-]c1c(C[N@@H+]2CCOC3(CCC3)C2)ccc(F)c1F ZINC000876763748 650424628 /nfs/dbraw/zinc/42/46/28/650424628.db2.gz HEVIDLXFKPTRCN-UHFFFAOYSA-N 0 1 269.291 2.425 20 10 CECDMN [O-]c1c(C[N@H+]2CCOC3(CCC3)C2)ccc(F)c1F ZINC000876763748 650424629 /nfs/dbraw/zinc/42/46/29/650424629.db2.gz HEVIDLXFKPTRCN-UHFFFAOYSA-N 0 1 269.291 2.425 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CN2CCCC2=O)c(Cl)c1 ZINC000840882974 639571278 /nfs/dbraw/zinc/57/12/78/639571278.db2.gz XNZQAKBFRSQUOI-NSHDSACASA-N 0 1 296.798 2.455 20 10 CECDMN C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841748368 639857163 /nfs/dbraw/zinc/85/71/63/639857163.db2.gz XBISIOMNDISBJQ-RYUDHWBXSA-N 0 1 298.814 2.417 20 10 CECDMN CC(C)(C[NH2+]Cc1cc(Cl)ccc1[O-])[C@@]1(O)CCOC1 ZINC000842757842 640171498 /nfs/dbraw/zinc/17/14/98/640171498.db2.gz AWCAMEAVWNZIFZ-OAHLLOKOSA-N 0 1 299.798 2.313 20 10 CECDMN Cn1cnc(CC[NH2+]Cc2cc(Cl)ccc2[O-])c1 ZINC000313308731 640201270 /nfs/dbraw/zinc/20/12/70/640201270.db2.gz UURORULWRPNCJZ-UHFFFAOYSA-N 0 1 265.744 2.111 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000843040101 640247743 /nfs/dbraw/zinc/24/77/43/640247743.db2.gz FXFSJWIZINEBBU-AAEUAGOBSA-N 0 1 294.370 2.434 20 10 CECDMN CCCN(Cc1cccc(F)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000843051624 640255136 /nfs/dbraw/zinc/25/51/36/640255136.db2.gz AHIIHKCSQYMGTG-GFCCVEGCSA-N 0 1 252.333 2.105 20 10 CECDMN C[C@@H](CCO)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000846113068 641187174 /nfs/dbraw/zinc/18/71/74/641187174.db2.gz YTHJVCVGMQCICE-VIFPVBQESA-N 0 1 288.185 2.357 20 10 CECDMN C[C@@H](CCO)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000846113068 641187178 /nfs/dbraw/zinc/18/71/78/641187178.db2.gz YTHJVCVGMQCICE-VIFPVBQESA-N 0 1 288.185 2.357 20 10 CECDMN C[C@H](CCO)[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000846113067 641187374 /nfs/dbraw/zinc/18/73/74/641187374.db2.gz YTHJVCVGMQCICE-SECBINFHSA-N 0 1 288.185 2.357 20 10 CECDMN C[C@H](CCO)[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000846113067 641187376 /nfs/dbraw/zinc/18/73/76/641187376.db2.gz YTHJVCVGMQCICE-SECBINFHSA-N 0 1 288.185 2.357 20 10 CECDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(N(C)CC)cc1 ZINC000846265348 641247860 /nfs/dbraw/zinc/24/78/60/641247860.db2.gz GXIWQJRHKBLOIF-UHFFFAOYSA-N 0 1 264.369 2.439 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)[C@@H](C(=O)[O-])C1 ZINC000846279447 641256287 /nfs/dbraw/zinc/25/62/87/641256287.db2.gz AFEAYCMOYVVALN-IUODEOHRSA-N 0 1 276.380 2.438 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)[C@H](C(=O)[O-])C1 ZINC000846279449 641256441 /nfs/dbraw/zinc/25/64/41/641256441.db2.gz AFEAYCMOYVVALN-WFASDCNBSA-N 0 1 276.380 2.438 20 10 CECDMN CC[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H](O)C(F)(F)F ZINC000877427944 650716623 /nfs/dbraw/zinc/71/66/23/650716623.db2.gz DPOIPMXAQOGEQB-SECBINFHSA-N 0 1 299.239 2.416 20 10 CECDMN CCc1cccc(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1O ZINC000848886421 642172227 /nfs/dbraw/zinc/17/22/27/642172227.db2.gz FGROLYTUMQTHSD-VXGBXAGGSA-N 0 1 299.436 2.208 20 10 CECDMN [NH2+]=C(NCc1cc(Cl)ccc1[O-])NCC1CCC1 ZINC000849049572 642258479 /nfs/dbraw/zinc/25/84/79/642258479.db2.gz SAXPOBGOXMKJFQ-UHFFFAOYSA-N 0 1 267.760 2.460 20 10 CECDMN Cc1ccc(CN2CCOC[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC000877516144 650761038 /nfs/dbraw/zinc/76/10/38/650761038.db2.gz BPNDSLXQLVCEHR-GDBMZVCRSA-N 0 1 277.364 2.080 20 10 CECDMN Cc1cc(O)c(CN[C@@H]2C[C@@H](C)n3ncnc32)cc1C ZINC000850352528 642678817 /nfs/dbraw/zinc/67/88/17/642678817.db2.gz ZSOJBHISONZIGT-DGCLKSJQSA-N 0 1 272.352 2.396 20 10 CECDMN CC(C)NC(=O)[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC000922183185 642941102 /nfs/dbraw/zinc/94/11/02/642941102.db2.gz ARABCGYWFJGFKT-GFCCVEGCSA-N 0 1 276.380 2.014 20 10 CECDMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877595627 650806972 /nfs/dbraw/zinc/80/69/72/650806972.db2.gz GQVLXUBQAHIAQP-PSASIEDQSA-N 0 1 257.280 2.016 20 10 CECDMN COc1ccc(N(C)CC(C)(C)N2CCOCC2)cc1 ZINC000877609590 650813194 /nfs/dbraw/zinc/81/31/94/650813194.db2.gz MDMNONHUNKGBTG-UHFFFAOYSA-N 0 1 278.396 2.242 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c1O ZINC000852701910 643518485 /nfs/dbraw/zinc/51/84/85/643518485.db2.gz VTONRMMJIFCCOI-HWPZZCPQSA-N 0 1 295.354 2.184 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c1[O-] ZINC000852701910 643518490 /nfs/dbraw/zinc/51/84/90/643518490.db2.gz VTONRMMJIFCCOI-HWPZZCPQSA-N 0 1 295.354 2.184 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c1[O-] ZINC000852701910 643518493 /nfs/dbraw/zinc/51/84/93/643518493.db2.gz VTONRMMJIFCCOI-HWPZZCPQSA-N 0 1 295.354 2.184 20 10 CECDMN COC(=O)c1coc(CNCc2c(O)cccc2OC)c1 ZINC000877699845 650857176 /nfs/dbraw/zinc/85/71/76/650857176.db2.gz WWLQKELELZQXCP-UHFFFAOYSA-N 0 1 291.303 2.070 20 10 CECDMN CCOC1CN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000839130364 644168440 /nfs/dbraw/zinc/16/84/40/644168440.db2.gz CEQGCQWYQYCJJI-UHFFFAOYSA-N 0 1 259.708 2.405 20 10 CECDMN C[C@@H]([NH2+][C@H]1CCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000756533543 644659768 /nfs/dbraw/zinc/65/97/68/644659768.db2.gz IOMJWCFLJDVCFQ-KOLCDFICSA-N 0 1 254.761 2.400 20 10 CECDMN CC[S@](=O)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756578041 644671500 /nfs/dbraw/zinc/67/15/00/644671500.db2.gz VQAUDESUXOXYQY-XLFHBGCDSA-N 0 1 275.801 2.465 20 10 CECDMN COc1ccc(O)c(CN(C)Cc2ccc(OC)nc2)c1 ZINC000757918195 644856994 /nfs/dbraw/zinc/85/69/94/644856994.db2.gz XLXQRBJSVRQKRU-UHFFFAOYSA-N 0 1 288.347 2.436 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCc2cncn2C)c(Cl)c1 ZINC000857782909 644967434 /nfs/dbraw/zinc/96/74/34/644967434.db2.gz JGUJCTJAEURORE-UHFFFAOYSA-N 0 1 279.771 2.420 20 10 CECDMN CN(C)c1cc(F)c(CNC[C@@H](O)c2ccco2)cc1F ZINC000858092564 645058260 /nfs/dbraw/zinc/05/82/60/645058260.db2.gz FTKBYMSFBIGFFX-CQSZACIVSA-N 0 1 296.317 2.447 20 10 CECDMN CCN(CC)c1ccc(CN[C@H](C)C(=O)N(C)OC)cc1 ZINC000858325880 645119287 /nfs/dbraw/zinc/11/92/87/645119287.db2.gz QBPYZACOWRCCQI-CYBMUJFWSA-N 0 1 293.411 2.031 20 10 CECDMN C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000858434451 645157283 /nfs/dbraw/zinc/15/72/83/645157283.db2.gz HEGFRFHJATTWAY-JOYOIKCWSA-N 0 1 295.770 2.163 20 10 CECDMN C[C@H](N[C@H](CO)c1ccnn1C)c1cc(Cl)ccc1O ZINC000858434451 645157289 /nfs/dbraw/zinc/15/72/89/645157289.db2.gz HEGFRFHJATTWAY-JOYOIKCWSA-N 0 1 295.770 2.163 20 10 CECDMN CC(=O)OC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000127029014 651055185 /nfs/dbraw/zinc/05/51/85/651055185.db2.gz NTMVQPSAGYXCRU-UHFFFAOYSA-N 0 1 294.370 2.419 20 10 CECDMN C[C@H](O)C1([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000862418709 646451829 /nfs/dbraw/zinc/45/18/29/646451829.db2.gz KRKCCELGIFDHSL-QMMMGPOBSA-N 0 1 286.169 2.158 20 10 CECDMN C[C@@H]1COCCN1Cc1c(O)ccc(Cl)c1F ZINC000775179455 646928252 /nfs/dbraw/zinc/92/82/52/646928252.db2.gz AFGUIOGIZFWIDI-MRVPVSSYSA-N 0 1 259.708 2.405 20 10 CECDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000775645333 646974783 /nfs/dbraw/zinc/97/47/83/646974783.db2.gz JUHAEXODTPCLIV-MRVPVSSYSA-N 0 1 259.708 2.405 20 10 CECDMN CCn1cc(CN(C)Cc2cc(OC)ccc2O)cn1 ZINC000775699470 646982424 /nfs/dbraw/zinc/98/24/24/646982424.db2.gz DXQWPVIPJMICGQ-UHFFFAOYSA-N 0 1 275.352 2.249 20 10 CECDMN Oc1c(Cl)cccc1CN1CCc2c[nH]nc2C1 ZINC000775713998 646983412 /nfs/dbraw/zinc/98/34/12/646983412.db2.gz PETAUNYRRKOZBE-UHFFFAOYSA-N 0 1 263.728 2.327 20 10 CECDMN COc1cccc(CN(C)[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000777220440 647121674 /nfs/dbraw/zinc/12/16/74/647121674.db2.gz RHZDNWAZVOJXAU-NSHDSACASA-N 0 1 294.395 2.136 20 10 CECDMN CC[C@]1(O)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000778398686 647227861 /nfs/dbraw/zinc/22/78/61/647227861.db2.gz NGIORSXQVFLUCU-HNNXBMFYSA-N 0 1 281.327 2.081 20 10 CECDMN CC[C@]1(O)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000778398686 647227863 /nfs/dbraw/zinc/22/78/63/647227863.db2.gz NGIORSXQVFLUCU-HNNXBMFYSA-N 0 1 281.327 2.081 20 10 CECDMN CC[C@]1(O)CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000778398686 647227866 /nfs/dbraw/zinc/22/78/66/647227866.db2.gz NGIORSXQVFLUCU-HNNXBMFYSA-N 0 1 281.327 2.081 20 10 CECDMN COc1ccc(CN[C@@H](C)[C@H](O)C(F)(F)F)cc1C ZINC000865712241 647435190 /nfs/dbraw/zinc/43/51/90/647435190.db2.gz YKZVYGXPLAGWPT-CABZTGNLSA-N 0 1 277.286 2.405 20 10 CECDMN Cc1cc(Br)c([O-])c(CN2CC[NH2+][C@H](C)C2)c1 ZINC000781894703 647569677 /nfs/dbraw/zinc/56/96/77/647569677.db2.gz LNOVKRBIUQLJRK-SNVBAGLBSA-N 0 1 299.212 2.257 20 10 CECDMN Cc1cnc(NCc2ccc(N3CCN(C)CC3)cc2)o1 ZINC000788866883 648230953 /nfs/dbraw/zinc/23/09/53/648230953.db2.gz IWEMURGBFMRVKM-UHFFFAOYSA-N 0 1 286.379 2.347 20 10 CECDMN C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000789763885 648338291 /nfs/dbraw/zinc/33/82/91/648338291.db2.gz ACKJPEKFLVRQFV-LBPRGKRZSA-N 0 1 298.814 2.198 20 10 CECDMN O=C([O-])C1([NH2+]Cc2c(O)ccc(Cl)c2F)CCC1 ZINC000789902471 648353982 /nfs/dbraw/zinc/35/39/82/648353982.db2.gz PBSFHNHXAIPMOK-UHFFFAOYSA-N 0 1 273.691 2.282 20 10 CECDMN OCCN(Cc1cc(Cl)cc(F)c1O)CC(F)F ZINC000793307296 648740925 /nfs/dbraw/zinc/74/09/25/648740925.db2.gz MFGCDUNWJMWZKD-UHFFFAOYSA-N 0 1 283.677 2.244 20 10 CECDMN O=C([C@@H]1CCCc2[nH]ncc21)N1Cc2cccc(O)c2C1 ZINC000871203517 649031175 /nfs/dbraw/zinc/03/11/75/649031175.db2.gz MTRVYHQBJABQIL-LLVKDONJSA-N 0 1 283.331 2.078 20 10 CECDMN COc1ccc(N2CC[C@@H](CNCc3ccon3)C2)cc1 ZINC000873132511 649565965 /nfs/dbraw/zinc/56/59/65/649565965.db2.gz WJIXAGFHNJHHHX-ZDUSSCGKSA-N 0 1 287.363 2.299 20 10 CECDMN CCCOc1ccc(CNCC(=O)N(C)OCC)cc1C ZINC000873134170 649566342 /nfs/dbraw/zinc/56/63/42/649566342.db2.gz XXSDIDOADFPUGD-UHFFFAOYSA-N 0 1 294.395 2.283 20 10 CECDMN Cc1cc(O)c(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(Cl)c1 ZINC000873228369 649599315 /nfs/dbraw/zinc/59/93/15/649599315.db2.gz DIAHXFWXQJXJMX-XHDPSFHLSA-N 0 1 280.799 2.395 20 10 CECDMN C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000884441941 652853033 /nfs/dbraw/zinc/85/30/33/652853033.db2.gz SQCVZKGYYKGAQR-YGRLFVJLSA-N 0 1 284.363 2.321 20 10 CECDMN C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CO1 ZINC000402293433 802824844 /nfs/dbraw/zinc/82/48/44/802824844.db2.gz NPXQYYQPOLRZJZ-KWQFWETISA-N 0 1 286.169 2.422 20 10 CECDMN CN(Cc1[nH]nc2c1CCC2)Cc1ccccc1O ZINC001232431009 807258823 /nfs/dbraw/zinc/25/88/23/807258823.db2.gz GWYWASDKFLQHEK-UHFFFAOYSA-N 0 1 257.337 2.236 20 10 CECDMN C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000698618250 807269006 /nfs/dbraw/zinc/26/90/06/807269006.db2.gz YECQNKGNFHWVAV-JTQLQIEISA-N 0 1 283.677 2.449 20 10 CECDMN CN1CC[C@]2(CCC[N@H+]2Cc2cc(Cl)ccc2O)C1=O ZINC001272638792 807844839 /nfs/dbraw/zinc/84/48/39/807844839.db2.gz UYWOFHRPCZDRRZ-OAHLLOKOSA-N 0 1 294.782 2.242 20 10 CECDMN CN1CC[C@]2(CCCN2Cc2cc(Cl)ccc2O)C1=O ZINC001272638792 807844845 /nfs/dbraw/zinc/84/48/45/807844845.db2.gz UYWOFHRPCZDRRZ-OAHLLOKOSA-N 0 1 294.782 2.242 20 10 CECDMN CN1CC[C@]2(CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])C1=O ZINC001272638792 807844853 /nfs/dbraw/zinc/84/48/53/807844853.db2.gz UYWOFHRPCZDRRZ-OAHLLOKOSA-N 0 1 294.782 2.242 20 10 CECDMN CN1CC[C@]2(CCC[N@H+]2Cc2cc(Cl)ccc2[O-])C1=O ZINC001272638792 807844860 /nfs/dbraw/zinc/84/48/60/807844860.db2.gz UYWOFHRPCZDRRZ-OAHLLOKOSA-N 0 1 294.782 2.242 20 10 CECDMN COc1cc([O-])c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c(Cl)c1 ZINC001235902184 807881670 /nfs/dbraw/zinc/88/16/70/807881670.db2.gz WGLABTXNFXFXSS-AOOOYVTPSA-N 0 1 284.787 2.236 20 10 CECDMN COC[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703597060 809667876 /nfs/dbraw/zinc/66/78/76/809667876.db2.gz WXZOHLKWTWLJEU-SECBINFHSA-N 0 1 257.280 2.139 20 10 CECDMN CC(C)(CCO)[NH2+]Cc1c([O-])cccc1Br ZINC000706875166 809859699 /nfs/dbraw/zinc/85/96/99/809859699.db2.gz OUFOAPLHJWZUJJ-UHFFFAOYSA-N 0 1 288.185 2.405 20 10 CECDMN COCCN(C)Cc1c(O)cccc1Br ZINC000707129494 809879986 /nfs/dbraw/zinc/87/99/86/809879986.db2.gz IZUKIAHZPCFXCJ-UHFFFAOYSA-N 0 1 274.158 2.233 20 10 CECDMN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000708481125 809928483 /nfs/dbraw/zinc/92/84/83/809928483.db2.gz OKUMAVNSHDOCOH-SNVBAGLBSA-N 0 1 282.334 2.244 20 10 CECDMN [O-]c1c(F)cc(F)cc1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000708481630 809929870 /nfs/dbraw/zinc/92/98/70/809929870.db2.gz RWSXYHXSFWCBFA-ZIAGYGMSSA-N 0 1 282.334 2.387 20 10 CECDMN [O-]c1c(F)cc(F)cc1CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000708481630 809929873 /nfs/dbraw/zinc/92/98/73/809929873.db2.gz RWSXYHXSFWCBFA-ZIAGYGMSSA-N 0 1 282.334 2.387 20 10 CECDMN C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCOC1 ZINC000708423325 809930032 /nfs/dbraw/zinc/93/00/32/809930032.db2.gz RYIORTGUDJSZLG-VIFPVBQESA-N 0 1 257.280 2.139 20 10 CECDMN C[C@H](NCc1cc(F)cc(F)c1O)c1csnn1 ZINC000708466948 809931990 /nfs/dbraw/zinc/93/19/90/809931990.db2.gz VVECKSHURNUGEI-LURJTMIESA-N 0 1 271.292 2.373 20 10 CECDMN Oc1c(F)cc(F)cc1CNCc1noc2c1COCC2 ZINC000923017636 810055226 /nfs/dbraw/zinc/05/52/26/810055226.db2.gz IEQZOLVJNLDSIT-UHFFFAOYSA-N 0 1 296.273 2.021 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCOC1 ZINC000691427296 811655360 /nfs/dbraw/zinc/65/53/60/811655360.db2.gz CLMWTPMHEFHXRW-VIFPVBQESA-N 0 1 286.169 2.281 20 10 CECDMN Cc1ccc(O)c(CNCc2ncc(Cl)n2C)c1 ZINC000393466315 813315235 /nfs/dbraw/zinc/31/52/35/813315235.db2.gz YPTLIPWZCLXRJP-UHFFFAOYSA-N 0 1 265.744 2.377 20 10 CECDMN CN(C)C1(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000397885527 813645551 /nfs/dbraw/zinc/64/55/51/813645551.db2.gz MSDBQSQIDPTAMA-UHFFFAOYSA-N 0 1 254.761 2.229 20 10 CECDMN Cc1cc(CN2C[C@H](CO)C[C@H](F)C2)ccc1N(C)C ZINC001139669563 815617873 /nfs/dbraw/zinc/61/78/73/815617873.db2.gz AZJFOSJCMVXXBS-CABCVRRESA-N 0 1 280.387 2.213 20 10 CECDMN C[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])CCC1=O ZINC001139683164 814730310 /nfs/dbraw/zinc/73/03/10/814730310.db2.gz AGMHKASQADUTSL-SECBINFHSA-N 0 1 269.291 2.471 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])CCC1=O ZINC001139683164 814730312 /nfs/dbraw/zinc/73/03/12/814730312.db2.gz AGMHKASQADUTSL-SECBINFHSA-N 0 1 269.291 2.471 20 10 CECDMN C[C@H]1CCC[N@@H+](Cc2c([O-])c(F)ccc2F)[C@@H]1CO ZINC001139683452 814731294 /nfs/dbraw/zinc/73/12/94/814731294.db2.gz CYUIYRBIQSIBIR-TVQRCGJNSA-N 0 1 271.307 2.263 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])CCC1=O ZINC001138124086 815733515 /nfs/dbraw/zinc/73/35/15/815733515.db2.gz YUSLDZRRQRSISY-JTQLQIEISA-N 0 1 251.301 2.332 20 10 CECDMN C[C@H]1CCN(Cc2cccc(F)c2O)CCC1=O ZINC001138124086 815733517 /nfs/dbraw/zinc/73/35/17/815733517.db2.gz YUSLDZRRQRSISY-JTQLQIEISA-N 0 1 251.301 2.332 20 10 CECDMN Nc1ccc(N(CCO)c2cccc3[nH]ncc32)cc1 ZINC001174344858 815973563 /nfs/dbraw/zinc/97/35/63/815973563.db2.gz QQXALSKYRLKJAE-UHFFFAOYSA-N 0 1 268.320 2.276 20 10 CECDMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1c(F)ccc(F)c1[O-] ZINC001139681584 816079549 /nfs/dbraw/zinc/07/95/49/816079549.db2.gz UFXNMCGLTHHFKQ-VHSXEESVSA-N 0 1 270.323 2.195 20 10 CECDMN C[C@H]1CC[C@@H](CO)[N@H+]1Cc1c([O-])c(F)ccc1F ZINC001139685735 816082378 /nfs/dbraw/zinc/08/23/78/816082378.db2.gz VKVMYYWIQRGTLE-IUCAKERBSA-N 0 1 257.280 2.016 20 10 CECDMN Oc1cccc(Br)c1CN1CC2(C1)CCOC2 ZINC001140098836 816189340 /nfs/dbraw/zinc/18/93/40/816189340.db2.gz OHCPLEFRXXLJPW-UHFFFAOYSA-N 0 1 298.180 2.377 20 10 CECDMN CO[C@H]1CN(Cc2c(C)ccc(C)c2O)C[C@@H]1F ZINC001140178512 816204236 /nfs/dbraw/zinc/20/42/36/816204236.db2.gz NEEUPAOQJYWUJZ-STQMWFEESA-N 0 1 253.317 2.178 20 10 CECDMN Cc1ccc(C)c(CN(C)Cc2cnccn2)c1O ZINC001140182662 816206356 /nfs/dbraw/zinc/20/63/56/816206356.db2.gz WNVTYNVFAZZYGO-UHFFFAOYSA-N 0 1 257.337 2.431 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001140338070 816238541 /nfs/dbraw/zinc/23/85/41/816238541.db2.gz TVQIJORBLITGFS-YPMHNXCESA-N 0 1 273.735 2.340 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001140338070 816238543 /nfs/dbraw/zinc/23/85/43/816238543.db2.gz TVQIJORBLITGFS-YPMHNXCESA-N 0 1 273.735 2.340 20 10 CECDMN O=C1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@H]2CCCN12 ZINC001140468225 816262547 /nfs/dbraw/zinc/26/25/47/816262547.db2.gz AOQRKNVDSKXEQU-CYBMUJFWSA-N 0 1 294.782 2.242 20 10 CECDMN O=C1CC[N@H+](Cc2ccc(Cl)cc2[O-])C[C@H]2CCCN12 ZINC001140468225 816262550 /nfs/dbraw/zinc/26/25/50/816262550.db2.gz AOQRKNVDSKXEQU-CYBMUJFWSA-N 0 1 294.782 2.242 20 10 CECDMN Oc1ccc(O)c(CN2CCc3cnccc3C2)c1 ZINC001141155757 816489267 /nfs/dbraw/zinc/48/92/67/816489267.db2.gz IYIKBNNSLFZAHI-UHFFFAOYSA-N 0 1 256.305 2.051 20 10 CECDMN C[N@@H+]1CCC[C@@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142530650 816680526 /nfs/dbraw/zinc/68/05/26/816680526.db2.gz IYKKGBLMWJBRSG-QMTHXVAHSA-N 0 1 282.334 2.196 20 10 CECDMN C[N@H+]1CCC[C@@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142530650 816680530 /nfs/dbraw/zinc/68/05/30/816680530.db2.gz IYKKGBLMWJBRSG-QMTHXVAHSA-N 0 1 282.334 2.196 20 10 CECDMN CN1CCCN(Cc2cccc(C(C)(C)C)c2O)CC1=O ZINC001143110830 816787095 /nfs/dbraw/zinc/78/70/95/816787095.db2.gz QLJUNXWYSIXXKN-UHFFFAOYSA-N 0 1 290.407 2.354 20 10 CECDMN C[C@@H](CO)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134914491 366372342 /nfs/dbraw/zinc/37/23/42/366372342.db2.gz CIIQXKAZLGMDRG-RKDXNWHRSA-N 0 1 288.185 2.434 20 10 CECDMN CCN(Cc1cc(C)c(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000016839692 361498400 /nfs/dbraw/zinc/49/84/00/361498400.db2.gz VBRDRJRLRNPYFY-AWEZNQCLSA-N 0 1 297.420 2.018 20 10 CECDMN CCCCN(CC(N)=O)Cc1cc(Cl)cc(C)c1O ZINC000179768384 368350050 /nfs/dbraw/zinc/35/00/50/368350050.db2.gz VKWVZTKBJIRURH-UHFFFAOYSA-N 0 1 284.787 2.441 20 10 CECDMN COC(=O)[C@H](C)C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000179774047 368350822 /nfs/dbraw/zinc/35/08/22/368350822.db2.gz LEHBJWQPPCENGG-SECBINFHSA-N 0 1 271.744 2.287 20 10 CECDMN C[C@@]1(O)CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180377824 368377602 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ZINC000895014934 629798028 /nfs/dbraw/zinc/79/80/28/629798028.db2.gz QJNCKICSWFGQKT-VHSXEESVSA-N 0 1 271.307 2.263 20 10 CECDMN CC(C)[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCC(=O)N1 ZINC000895015850 629798149 /nfs/dbraw/zinc/79/81/49/629798149.db2.gz ZWNLBLOVMVGAKY-LBPRGKRZSA-N 0 1 298.333 2.159 20 10 CECDMN C[C@@](O)(C[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000310433811 629862489 /nfs/dbraw/zinc/86/24/89/629862489.db2.gz QVPZOVFSYCOAKM-CYBMUJFWSA-N 0 1 255.745 2.296 20 10 CECDMN CC1=NO[C@H](C[NH2+]Cc2c([O-])cccc2Br)C1 ZINC000895299413 630088569 /nfs/dbraw/zinc/08/85/69/630088569.db2.gz CTALVIAJOXIQKF-VIFPVBQESA-N 0 1 299.168 2.409 20 10 CECDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](CF)C2)ccc1[N+](=O)[O-] ZINC000895546308 630245862 /nfs/dbraw/zinc/24/58/62/630245862.db2.gz ZJPBEYVOQGKJHG-JTQLQIEISA-N 0 1 298.314 2.491 20 10 CECDMN C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(Cl)cc1[O-] ZINC000841755106 631777440 /nfs/dbraw/zinc/77/74/40/631777440.db2.gz NLZMGRSKSJWNDZ-SKDRFNHKSA-N 0 1 282.771 2.317 20 10 CECDMN Cc1cccc(CN2CCO[C@H](c3ccnn3C)C2)c1O ZINC000897558427 631779387 /nfs/dbraw/zinc/77/93/87/631779387.db2.gz HYYVTOKJFDAUQY-HNNXBMFYSA-N 0 1 287.363 2.008 20 10 CECDMN CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000898544992 632533385 /nfs/dbraw/zinc/53/33/85/632533385.db2.gz FHELWPDSMZQLPT-GFCCVEGCSA-N 0 1 282.771 2.146 20 10 CECDMN CCc1nocc1CNCc1ccc2c(c1)CCO2 ZINC000815122894 632964156 /nfs/dbraw/zinc/96/41/56/632964156.db2.gz RBPACGDBYOLJDF-UHFFFAOYSA-N 0 1 258.321 2.462 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000816667892 633460833 /nfs/dbraw/zinc/46/08/33/633460833.db2.gz YYDLDQFBEGUTGE-LBPRGKRZSA-N 0 1 255.745 2.392 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000816667892 633460836 /nfs/dbraw/zinc/46/08/36/633460836.db2.gz YYDLDQFBEGUTGE-LBPRGKRZSA-N 0 1 255.745 2.392 20 10 CECDMN CCn1nc(C)c(CNCc2c(O)ccc(Cl)c2F)n1 ZINC000818223142 633888929 /nfs/dbraw/zinc/88/89/29/633888929.db2.gz QSEBMPRTOHOYKM-UHFFFAOYSA-N 0 1 298.749 2.394 20 10 CECDMN Oc1cc(Br)ccc1CN1CCC[C@H](O)C1 ZINC000824491013 635435204 /nfs/dbraw/zinc/43/52/04/635435204.db2.gz LDUPVJSPNUNLGJ-NSHDSACASA-N 0 1 286.169 2.111 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCNC(=O)C(C)C)cc1Cl ZINC000825059189 635554343 /nfs/dbraw/zinc/55/43/43/635554343.db2.gz VJVCOPDSCYWWCJ-UHFFFAOYSA-N 0 1 284.787 2.216 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1Cl ZINC000825628558 635679173 /nfs/dbraw/zinc/67/91/73/635679173.db2.gz ALRWYEDBAAYELL-SMDDNHRTSA-N 0 1 267.756 2.168 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1Cl ZINC000825628558 635679176 /nfs/dbraw/zinc/67/91/76/635679176.db2.gz ALRWYEDBAAYELL-SMDDNHRTSA-N 0 1 267.756 2.168 20 10 CECDMN Cc1cc([O-])c(C[NH2+]Cc2cncn2C)cc1Cl ZINC000825944328 635736834 /nfs/dbraw/zinc/73/68/34/635736834.db2.gz UKFSWTYKCPGNSG-UHFFFAOYSA-N 0 1 265.744 2.377 20 10 CECDMN COc1cccc(O)c1CN1CCO[C@@](C)(C2CC2)C1 ZINC000826878329 635869690 /nfs/dbraw/zinc/86/96/90/635869690.db2.gz WYTHGTHTNOLESP-MRXNPFEDSA-N 0 1 277.364 2.402 20 10 CECDMN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H](C)[C@H]1O ZINC000827152312 636239497 /nfs/dbraw/zinc/23/94/97/636239497.db2.gz RILLRJDKYKSACO-IWIIMEHWSA-N 0 1 269.772 2.494 20 10 CECDMN Cc1cc([O-])c(C[N@@H+](C)C2(CO)CC2)cc1Cl ZINC000827897889 636453856 /nfs/dbraw/zinc/45/38/56/636453856.db2.gz AUEAAFCPEZJBQB-UHFFFAOYSA-N 0 1 255.745 2.311 20 10 CECDMN Cc1cc([O-])c(C[N@H+](C)C2(CO)CC2)cc1Cl ZINC000827897889 636453859 /nfs/dbraw/zinc/45/38/59/636453859.db2.gz AUEAAFCPEZJBQB-UHFFFAOYSA-N 0 1 255.745 2.311 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)CCO)c(Cl)c1 ZINC000840901390 639578805 /nfs/dbraw/zinc/57/88/05/639578805.db2.gz JAGUMRRLMVBWBS-VIFPVBQESA-N 0 1 257.761 2.462 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)CO)c(Cl)c1 ZINC000840908161 639580931 /nfs/dbraw/zinc/58/09/31/639580931.db2.gz VJOTYAHYCWLRHZ-UHFFFAOYSA-N 0 1 257.761 2.462 20 10 CECDMN CO[C@H]1COCC[C@@H]1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840950797 639599326 /nfs/dbraw/zinc/59/93/26/639599326.db2.gz ODCIXEABQKFUHF-ABAIWWIYSA-N 0 1 299.798 2.495 20 10 CECDMN CN(C)c1ccc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1F ZINC000840998419 639611430 /nfs/dbraw/zinc/61/14/30/639611430.db2.gz COWXJGYEOJJXHR-OAHLLOKOSA-N 0 1 280.343 2.188 20 10 CECDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(=O)N(C)C ZINC000841752951 639858421 /nfs/dbraw/zinc/85/84/21/639858421.db2.gz WJSQPVHHQYUYLR-RKDXNWHRSA-N 0 1 270.760 2.173 20 10 CECDMN CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(O)c1 ZINC000843041149 640247593 /nfs/dbraw/zinc/24/75/93/640247593.db2.gz OZNHDSIJQCEQCB-FZMZJTMJSA-N 0 1 293.363 2.334 20 10 CECDMN CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC[NH2+]CC1 ZINC000843044214 640249980 /nfs/dbraw/zinc/24/99/80/640249980.db2.gz AJMXXDCBZVHVNB-UHFFFAOYSA-N 0 1 299.758 2.138 20 10 CECDMN Cc1cc(Br)c([O-])c(CN(C)[C@@H]2CC[NH2+]C2)c1 ZINC000843049163 640253540 /nfs/dbraw/zinc/25/35/40/640253540.db2.gz HDZBJEYFRNKPTH-LLVKDONJSA-N 0 1 299.212 2.257 20 10 CECDMN C[NH2+]C[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000843349211 640398599 /nfs/dbraw/zinc/39/85/99/640398599.db2.gz LWWHZPSTGCLNFI-NSHDSACASA-N 0 1 296.798 2.290 20 10 CECDMN Cc1cc(O)c(C[N@H+](CC(=O)[O-])CC2CC2)cc1C ZINC000844935330 640869825 /nfs/dbraw/zinc/86/98/25/640869825.db2.gz IFFMWZXBNSQNEF-UHFFFAOYSA-N 0 1 263.337 2.306 20 10 CECDMN C[C@@]1(CO)CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877459738 650727878 /nfs/dbraw/zinc/72/78/78/650727878.db2.gz KGFKRVQMBDKRKE-ZDUSSCGKSA-N 0 1 257.280 2.017 20 10 CECDMN CC[C@@H]1CN(Cc2c(C)cccc2O)C[C@@H](C)[S@@]1=O ZINC000877519688 650763179 /nfs/dbraw/zinc/76/31/79/650763179.db2.gz ZLLGIPMCTITWMW-VPZZIHKRSA-N 0 1 281.421 2.432 20 10 CECDMN COc1ccc(N2CC[C@@H](NCc3nc(C)c[nH]3)C2)cc1 ZINC000850346465 642675227 /nfs/dbraw/zinc/67/52/27/642675227.db2.gz GEVUXBZNYPTOJF-CYBMUJFWSA-N 0 1 286.379 2.095 20 10 CECDMN [O-]c1c(C[N@@H+]2CC[C@H](CCCO)C2)ccc(F)c1F ZINC000877576286 650797564 /nfs/dbraw/zinc/79/75/64/650797564.db2.gz IPNDORYFNYIZJD-JTQLQIEISA-N 0 1 271.307 2.265 20 10 CECDMN CC(C)NC(=O)[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000922183187 642941249 /nfs/dbraw/zinc/94/12/49/642941249.db2.gz ARABCGYWFJGFKT-LBPRGKRZSA-N 0 1 276.380 2.014 20 10 CECDMN CCN(C)c1ccc(C[N@H+]2CCSC[C@H]2C(=O)[O-])cc1 ZINC000851705512 643117090 /nfs/dbraw/zinc/11/70/90/643117090.db2.gz OIUQCMHFNLYBNO-AWEZNQCLSA-N 0 1 294.420 2.145 20 10 CECDMN Cc1ccc(CN2CCc3c(cccc3C(N)=O)C2)c(O)c1 ZINC000877642853 650830855 /nfs/dbraw/zinc/83/08/55/650830855.db2.gz VKVJPILEMNODGX-UHFFFAOYSA-N 0 1 296.370 2.358 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CCOC1CCOCC1 ZINC000922930944 643457378 /nfs/dbraw/zinc/45/73/78/643457378.db2.gz XVZAUBLKFJKZNE-UHFFFAOYSA-N 0 1 285.771 2.331 20 10 CECDMN CCOc1ccc(O)c(CN[C@@H](C)c2ccn(C)n2)c1 ZINC000839191399 644185236 /nfs/dbraw/zinc/18/52/36/644185236.db2.gz OVFZKVBYZLOINX-NSHDSACASA-N 0 1 275.352 2.375 20 10 CECDMN CCOC(=O)[C@@H](C)C1CN(Cc2cccc(OC)c2O)C1 ZINC000877829524 650925362 /nfs/dbraw/zinc/92/53/62/650925362.db2.gz VXIDIJNAJVLELL-NSHDSACASA-N 0 1 293.363 2.032 20 10 CECDMN Cc1cc(CN[C@H](C)c2cc(F)ccc2O)ncn1 ZINC000756775947 644691647 /nfs/dbraw/zinc/69/16/47/644691647.db2.gz NLOXXABNABZDAV-SNVBAGLBSA-N 0 1 261.300 2.481 20 10 CECDMN COc1ccc(CN(C)Cc2cccc(OC)c2O)cn1 ZINC000757917823 644857386 /nfs/dbraw/zinc/85/73/86/644857386.db2.gz QATYPEMYUNPIIW-UHFFFAOYSA-N 0 1 288.347 2.436 20 10 CECDMN Cc1ccc(O)c(CNCc2cn(C)nc2Cl)c1 ZINC000858239099 645095635 /nfs/dbraw/zinc/09/56/35/645095635.db2.gz IYRJXUCXTGQCSM-UHFFFAOYSA-N 0 1 265.744 2.377 20 10 CECDMN Cc1ccc(O)c(CNCc2cn(C(C)(C)C)nn2)c1 ZINC000858239112 645096155 /nfs/dbraw/zinc/09/61/55/645096155.db2.gz JJWOVYAGRXKHKW-UHFFFAOYSA-N 0 1 274.368 2.337 20 10 CECDMN C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc2ccccc2c1[O-] ZINC000858494565 645180495 /nfs/dbraw/zinc/18/04/95/645180495.db2.gz KVKKEINFQAJLKI-RAIGVLPGSA-N 0 1 284.359 2.460 20 10 CECDMN CC[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000858549652 645198513 /nfs/dbraw/zinc/19/85/13/645198513.db2.gz XZDGYTDVTUEYTG-OCCSQVGLSA-N 0 1 298.814 2.153 20 10 CECDMN COc1ccc(N(C)Cc2cn[nH]c2C)cc1OC ZINC000761219726 645258307 /nfs/dbraw/zinc/25/83/07/645258307.db2.gz BMVFGCNNVMSHIR-UHFFFAOYSA-N 0 1 261.325 2.372 20 10 CECDMN COc1cccc(CNCc2ccc(F)cn2)c1O ZINC000763523182 645553959 /nfs/dbraw/zinc/55/39/59/645553959.db2.gz VQIQIPOGFRAAJG-UHFFFAOYSA-N 0 1 262.284 2.225 20 10 CECDMN CC[C@H]1CO[C@@H](C)CN1Cc1c(O)cccc1OC ZINC000768172229 646092798 /nfs/dbraw/zinc/09/27/98/646092798.db2.gz NSHGCIMMFVURDH-RYUDHWBXSA-N 0 1 265.353 2.400 20 10 CECDMN CC[C@H]1CO[C@H](C)CN1Cc1c(O)cccc1OC ZINC000768172226 646093056 /nfs/dbraw/zinc/09/30/56/646093056.db2.gz NSHGCIMMFVURDH-NEPJUHHUSA-N 0 1 265.353 2.400 20 10 CECDMN CCOc1ccc(CN2CCO[C@@H](C)[C@H]2C)c(O)c1 ZINC000769423464 646264092 /nfs/dbraw/zinc/26/40/92/646264092.db2.gz RXKLZSJAXJBCQB-NEPJUHHUSA-N 0 1 265.353 2.400 20 10 CECDMN C[C@@H]1[C@H](O)CC[N@@H+]1Cc1c([O-])cccc1Br ZINC000862388017 646431980 /nfs/dbraw/zinc/43/19/80/646431980.db2.gz ULRGGKCDJQTREM-LDYMZIIASA-N 0 1 286.169 2.110 20 10 CECDMN C[C@@H]1[C@H](O)CC[N@H+]1Cc1c([O-])cccc1Br ZINC000862388017 646431987 /nfs/dbraw/zinc/43/19/87/646431987.db2.gz ULRGGKCDJQTREM-LDYMZIIASA-N 0 1 286.169 2.110 20 10 CECDMN CN1CCN(c2ccc(C=Cc3nccc(=O)[nH]3)cc2)CC1 ZINC000771527072 646528701 /nfs/dbraw/zinc/52/87/01/646528701.db2.gz ZPOQGVKSDCMFIM-DAXSKMNVSA-N 0 1 296.374 2.104 20 10 CECDMN O=C(NC[C@H]1CCN1C1CCCC1)C1=CC(=O)CS1 ZINC000863032079 646618780 /nfs/dbraw/zinc/61/87/80/646618780.db2.gz LFOMXJOXLWCQNS-LLVKDONJSA-N 0 1 280.393 2.200 20 10 CECDMN CCN(C)c1ccc(CN(C)[C@H](C)C[S@@](C)=O)cc1 ZINC000773839839 646779392 /nfs/dbraw/zinc/77/93/92/646779392.db2.gz OATVSKHYQQVQAI-BFUOFWGJSA-N 0 1 282.453 2.342 20 10 CECDMN CC[C@@H]([NH2+]CCOCCO)c1cc(Cl)ccc1[O-] ZINC000775485534 646959322 /nfs/dbraw/zinc/95/93/22/646959322.db2.gz WAPKQNXGPCIBDW-GFCCVEGCSA-N 0 1 273.760 2.095 20 10 CECDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775651123 646976051 /nfs/dbraw/zinc/97/60/51/646976051.db2.gz ZXMCCACVZSIEIQ-MRVPVSSYSA-N 0 1 287.718 2.180 20 10 CECDMN COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000787420670 648107663 /nfs/dbraw/zinc/10/76/63/648107663.db2.gz KIVASMJBJVRQBP-CABZTGNLSA-N 0 1 283.755 2.429 20 10 CECDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000787420670 648107666 /nfs/dbraw/zinc/10/76/66/648107666.db2.gz KIVASMJBJVRQBP-CABZTGNLSA-N 0 1 283.755 2.429 20 10 CECDMN CCCOc1ccc(CN[C@H](C)C(=O)NCC)cc1C ZINC000873007852 649529968 /nfs/dbraw/zinc/52/99/68/649529968.db2.gz HTTWKRRCIMXOPG-CYBMUJFWSA-N 0 1 278.396 2.398 20 10 CECDMN CCCOc1ccc(CN[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000873008766 649530520 /nfs/dbraw/zinc/53/05/20/649530520.db2.gz CLXQPOMSWAHSIK-CQSZACIVSA-N 0 1 297.420 2.061 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccnn2C)c1[O-] ZINC000879683579 651338869 /nfs/dbraw/zinc/33/88/69/651338869.db2.gz AYYPLVAUEINUKM-VIFPVBQESA-N 0 1 291.326 2.318 20 10 CECDMN CCC[C@H]1C(=O)NCCN1Cc1cc(C)cc(C)c1O ZINC000128689943 651550753 /nfs/dbraw/zinc/55/07/53/651550753.db2.gz USBHSVJQPNJIHP-AWEZNQCLSA-N 0 1 276.380 2.110 20 10 CECDMN CNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000133334890 652621400 /nfs/dbraw/zinc/62/14/00/652621400.db2.gz BYYQYNZDQXDPPN-UHFFFAOYSA-N 0 1 282.771 2.004 20 10 CECDMN CCN(CC)C(=O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000134492709 652847307 /nfs/dbraw/zinc/84/73/07/652847307.db2.gz VEFZWDWGLPTYBE-UHFFFAOYSA-N 0 1 270.760 2.004 20 10 CECDMN COCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134905729 652887112 /nfs/dbraw/zinc/88/71/12/652887112.db2.gz WRNIAPMNWBLPOD-QMMMGPOBSA-N 0 1 274.158 2.452 20 10 CECDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001142527103 806619547 /nfs/dbraw/zinc/61/95/47/806619547.db2.gz KSZWBZPSPQXJAV-AWEZNQCLSA-N 0 1 269.291 2.425 20 10 CECDMN CC[C@H]1CN(Cc2cc(OC)ccc2O)[C@H](C)CO1 ZINC000403831376 803127225 /nfs/dbraw/zinc/12/72/25/803127225.db2.gz QAYXRFAVTWUHGE-YPMHNXCESA-N 0 1 265.353 2.400 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C2(CC2)C1 ZINC001231565754 807174175 /nfs/dbraw/zinc/17/41/75/807174175.db2.gz BIPVNXDYAGWGJC-JTQLQIEISA-N 0 1 261.321 2.465 20 10 CECDMN COc1ccc(O)c([C@H](C)NCc2nccnc2C)c1 ZINC000699907627 807905636 /nfs/dbraw/zinc/90/56/36/807905636.db2.gz CGDYZUYJOSZEGH-JTQLQIEISA-N 0 1 273.336 2.350 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CCC1CC(O)C1 ZINC000702471317 809559944 /nfs/dbraw/zinc/55/99/44/809559944.db2.gz ZRAJZSIVSJLFBH-UHFFFAOYSA-N 0 1 255.745 2.296 20 10 CECDMN C[N@H+](CCN1CCCC1)Cc1ccc(F)c(F)c1[O-] ZINC000703503720 809653059 /nfs/dbraw/zinc/65/30/59/809653059.db2.gz UOXWRIVUFJUYMP-UHFFFAOYSA-N 0 1 270.323 2.198 20 10 CECDMN C[N@@H+](CCN1CCCC1)Cc1ccc(F)c(F)c1[O-] ZINC000703503720 809653061 /nfs/dbraw/zinc/65/30/61/809653061.db2.gz UOXWRIVUFJUYMP-UHFFFAOYSA-N 0 1 270.323 2.198 20 10 CECDMN CN(CCC[NH+]1CCCC1)Cc1c([O-])cccc1F ZINC001137837458 809780449 /nfs/dbraw/zinc/78/04/49/809780449.db2.gz HVDJBXOJGCGZDD-UHFFFAOYSA-N 0 1 266.360 2.449 20 10 CECDMN C[C@H]([NH2+]Cc1c([O-])cccc1Br)C(C)(C)O ZINC000706808337 809855587 /nfs/dbraw/zinc/85/55/87/809855587.db2.gz JPJJWQFQPMNLDA-QMMMGPOBSA-N 0 1 288.185 2.404 20 10 CECDMN C[C@@H](O)CC[NH2+]Cc1c([O-])cccc1Br ZINC000706828529 809855880 /nfs/dbraw/zinc/85/58/80/809855880.db2.gz GQMNVDBWHWKGBA-MRVPVSSYSA-N 0 1 274.158 2.015 20 10 CECDMN CO[C@@H](C)C[NH2+]Cc1c([O-])cccc1Br ZINC000706846431 809857816 /nfs/dbraw/zinc/85/78/16/809857816.db2.gz ICIPTIRILCNQQB-QMMMGPOBSA-N 0 1 274.158 2.279 20 10 CECDMN C[C@@H](NCc1cc(F)cc(F)c1O)c1csnn1 ZINC000708466949 809932407 /nfs/dbraw/zinc/93/24/07/809932407.db2.gz VVECKSHURNUGEI-ZCFIWIBFSA-N 0 1 271.292 2.373 20 10 CECDMN CC(C)OCC[C@H](C)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001172437088 815436574 /nfs/dbraw/zinc/43/65/74/815436574.db2.gz YYNQAQALTZWUHF-NSHDSACASA-N 0 1 281.352 2.074 20 10 CECDMN Cc1nc2ccc(NCc3ccc(O)c(O)c3)nc2[nH]1 ZINC001169995250 811875029 /nfs/dbraw/zinc/87/50/29/811875029.db2.gz VZYPEYGRTVADGC-UHFFFAOYSA-N 0 1 270.292 2.290 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+]CCc1cn[nH]c1 ZINC000691489559 811957573 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CCN1C[C@@H](C)N(Cc2c(C)ccc(C)c2O)CC1=O ZINC001140183835 816206100 /nfs/dbraw/zinc/20/61/00/816206100.db2.gz JHQTWVPUVIBBIE-CYBMUJFWSA-N 0 1 276.380 2.062 20 10 CECDMN CC[N@@H+](Cc1ccc(Cl)cc1[O-])C1CN(C)C1 ZINC001140464585 816261227 /nfs/dbraw/zinc/26/12/27/816261227.db2.gz WFDSSQOWLGYUCY-UHFFFAOYSA-N 0 1 254.761 2.182 20 10 CECDMN CC[N@H+](Cc1ccc(Cl)cc1[O-])C1CN(C)C1 ZINC001140464585 816261222 /nfs/dbraw/zinc/26/12/22/816261222.db2.gz WFDSSQOWLGYUCY-UHFFFAOYSA-N 0 1 254.761 2.182 20 10 CECDMN CN1CCC([N@H+](C)Cc2c([O-])cc(F)cc2F)CC1 ZINC001140579614 816289739 /nfs/dbraw/zinc/28/97/39/816289739.db2.gz ACKCEGJTDJIPBD-UHFFFAOYSA-N 0 1 270.323 2.196 20 10 CECDMN CN1CCC([N@@H+](C)Cc2c([O-])cc(F)cc2F)CC1 ZINC001140579614 816289746 /nfs/dbraw/zinc/28/97/46/816289746.db2.gz ACKCEGJTDJIPBD-UHFFFAOYSA-N 0 1 270.323 2.196 20 10 CECDMN C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140582067 816291547 /nfs/dbraw/zinc/29/15/47/816291547.db2.gz BDSCGPRTSVUOQL-ZJUUUORDSA-N 0 1 271.307 2.263 20 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255.264 2.034 20 10 CECDMN C[C@H]1CC[C@H](CO)C[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142508669 816676722 /nfs/dbraw/zinc/67/67/22/816676722.db2.gz HEWHSVWSJYKLMN-UWVGGRQHSA-N 0 1 271.307 2.263 20 10 CECDMN CNC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000125076161 365666914 /nfs/dbraw/zinc/66/69/14/365666914.db2.gz VOQVACIDKHHYNO-JTQLQIEISA-N 0 1 282.771 2.004 20 10 CECDMN CNC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000125076161 365666917 /nfs/dbraw/zinc/66/69/17/365666917.db2.gz VOQVACIDKHHYNO-JTQLQIEISA-N 0 1 282.771 2.004 20 10 CECDMN CCC[NH+]1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000160194966 344457892 /nfs/dbraw/zinc/45/78/92/344457892.db2.gz MEBFIIFDLSKHAD-UHFFFAOYSA-N 0 1 252.333 2.059 20 10 CECDMN OC[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000063000423 362740577 /nfs/dbraw/zinc/74/05/77/362740577.db2.gz VYPSAZJXRICJMR-INIZCTEOSA-N 0 1 269.344 2.445 20 10 CECDMN CCC(=O)N1CC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000134524159 366334436 /nfs/dbraw/zinc/33/44/36/366334436.db2.gz HVCMJEOBTPHTFO-SNVBAGLBSA-N 0 1 282.771 2.146 20 10 CECDMN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093813697 364231135 /nfs/dbraw/zinc/23/11/35/364231135.db2.gz UEGBENAQPXNLES-AWEZNQCLSA-N 0 1 283.755 2.431 20 10 CECDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093813697 364231139 /nfs/dbraw/zinc/23/11/39/364231139.db2.gz UEGBENAQPXNLES-AWEZNQCLSA-N 0 1 283.755 2.431 20 10 CECDMN CC[C@H](C)NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000171937409 367642951 /nfs/dbraw/zinc/64/29/51/367642951.db2.gz YDLASLMHDCAUCL-NWDGAFQWSA-N 0 1 264.369 2.127 20 10 CECDMN C[C@H](O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180853921 368398995 /nfs/dbraw/zinc/39/89/95/368398995.db2.gz QJYPRXPLJIEKTG-UWVGGRQHSA-N 0 1 255.745 2.248 20 10 CECDMN COc1ccc(O)c(CN2CCO[C@H](C)[C@H]2C)c1 ZINC000180257274 368374350 /nfs/dbraw/zinc/37/43/50/368374350.db2.gz PKVUOEZTCJJQEH-GHMZBOCLSA-N 0 1 251.326 2.010 20 10 CECDMN COc1cccc(C[N@@H+](C)CCc2ccncc2)c1O ZINC000183760183 368648049 /nfs/dbraw/zinc/64/80/49/368648049.db2.gz QKLYXXZETCKABR-UHFFFAOYSA-N 0 1 272.348 2.470 20 10 CECDMN Nc1ccncc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000188093663 369294348 /nfs/dbraw/zinc/29/43/48/369294348.db2.gz DCNXKAHJRJMMCH-UHFFFAOYSA-N 0 1 296.374 2.194 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)CCS1 ZINC000191668692 369732701 /nfs/dbraw/zinc/73/27/01/369732701.db2.gz AKBBZWBIRGXTII-SNVBAGLBSA-N 0 1 281.377 2.448 20 10 CECDMN C[C@H]1CN(Cc2cc(F)ccc2O)CC2(CCOCC2)O1 ZINC000366732925 373115655 /nfs/dbraw/zinc/11/56/55/373115655.db2.gz YIYCFMMUBYVGCB-LBPRGKRZSA-N 0 1 295.354 2.301 20 10 CECDMN C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1[O-] ZINC000368103786 373219543 /nfs/dbraw/zinc/21/95/43/373219543.db2.gz YQDCMIRDHZZZIN-KOLCDFICSA-N 0 1 275.327 2.463 20 10 CECDMN [O-]c1c(F)cccc1C[N@H+]1CCCN(C2CC2)CC1 ZINC000374903218 374634942 /nfs/dbraw/zinc/63/49/42/374634942.db2.gz ZHWOPEXVLZHDQE-UHFFFAOYSA-N 0 1 264.344 2.201 20 10 CECDMN CCOc1ccc(O)c(C[N@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000375705170 374671369 /nfs/dbraw/zinc/67/13/69/374671369.db2.gz PFEXZBXSBYCHJX-SWLSCSKDSA-N 0 1 277.364 2.402 20 10 CECDMN Cc1cc(CN(C)CC(=O)NC(C)C)ccc1N(C)C ZINC000293562659 377631332 /nfs/dbraw/zinc/63/13/32/377631332.db2.gz SBQSTNSWFCHALW-UHFFFAOYSA-N 0 1 277.412 2.017 20 10 CECDMN CC(C)NC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298727361 378815334 /nfs/dbraw/zinc/81/53/34/378815334.db2.gz RBMKMXFKCFACAG-UHFFFAOYSA-N 0 1 291.439 2.488 20 10 CECDMN CCOC[C@H]1CN(Cc2cc(C)cc(C)c2O)CCO1 ZINC000530105675 380194677 /nfs/dbraw/zinc/19/46/77/380194677.db2.gz ISZBSSDZMLUXJH-OAHLLOKOSA-N 0 1 279.380 2.246 20 10 CECDMN CN(C)C(=O)[C@@H]1CCCN1Cc1c(O)cccc1Cl ZINC000122696292 394816222 /nfs/dbraw/zinc/81/62/22/394816222.db2.gz FAUNYSQYESKHJU-LBPRGKRZSA-N 0 1 282.771 2.098 20 10 CECDMN CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1Cl ZINC000122696292 394816225 /nfs/dbraw/zinc/81/62/25/394816225.db2.gz FAUNYSQYESKHJU-LBPRGKRZSA-N 0 1 282.771 2.098 20 10 CECDMN CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1Cl ZINC000122696292 394816230 /nfs/dbraw/zinc/81/62/30/394816230.db2.gz FAUNYSQYESKHJU-LBPRGKRZSA-N 0 1 282.771 2.098 20 10 CECDMN CC[C@H]1CN(Cc2cccc(OC)c2O)CCO1 ZINC000132013774 394924348 /nfs/dbraw/zinc/92/43/48/394924348.db2.gz BHLFPSZYPBMUPX-LBPRGKRZSA-N 0 1 251.326 2.012 20 10 CECDMN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000136264170 394970282 /nfs/dbraw/zinc/97/02/82/394970282.db2.gz QQLBUCPNJLKHNZ-GFCCVEGCSA-N 0 1 285.347 2.194 20 10 CECDMN CC[N@H+](CCC(=O)OC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000175612465 395133344 /nfs/dbraw/zinc/13/33/44/395133344.db2.gz LGZFVRYORBBAPN-UHFFFAOYSA-N 0 1 297.326 2.119 20 10 CECDMN CC[N@@H+](CCC(=O)OC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000175612465 395133347 /nfs/dbraw/zinc/13/33/47/395133347.db2.gz LGZFVRYORBBAPN-UHFFFAOYSA-N 0 1 297.326 2.119 20 10 CECDMN C[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CN(C)C ZINC000293604068 395243242 /nfs/dbraw/zinc/24/32/42/395243242.db2.gz IYYJJECKPPCFQC-GHMZBOCLSA-N 0 1 281.356 2.149 20 10 CECDMN COc1ccc(O)c([C@@H](C)NCc2ccnc(C)n2)c1 ZINC000038037358 174037505 /nfs/dbraw/zinc/03/75/05/174037505.db2.gz KKCZVCAHAYIZLU-SNVBAGLBSA-N 0 1 273.336 2.350 20 10 CECDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC000076654857 177044947 /nfs/dbraw/zinc/04/49/47/177044947.db2.gz FRFWSDCEAQSJNP-UHFFFAOYSA-N 0 1 250.342 2.048 20 10 CECDMN COc1cc(O)c(CN2C[C@H](C)OC(C)(C)C2)cc1OC ZINC000159941761 261198985 /nfs/dbraw/zinc/19/89/85/261198985.db2.gz HADYJGIXBJWAIA-NSHDSACASA-N 0 1 295.379 2.409 20 10 CECDMN C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Cl)ccc1[O-] ZINC000184982083 262035643 /nfs/dbraw/zinc/03/56/43/262035643.db2.gz MCLWOCXWDZAYEF-BXKDBHETSA-N 0 1 282.771 2.365 20 10 CECDMN C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000186088280 262079207 /nfs/dbraw/zinc/07/92/07/262079207.db2.gz XLGDHNIPKOQBBG-ONGXEEELSA-N 0 1 294.782 2.460 20 10 CECDMN COc1ccc(O)c(C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000368886413 267212132 /nfs/dbraw/zinc/21/21/32/267212132.db2.gz CKJAXNXRBMXJBO-HNNXBMFYSA-N 0 1 263.337 2.012 20 10 CECDMN COc1ccc(O)c(CN2CCO[C@H](C3CC3)C2)c1 ZINC000368886413 267212135 /nfs/dbraw/zinc/21/21/35/267212135.db2.gz CKJAXNXRBMXJBO-HNNXBMFYSA-N 0 1 263.337 2.012 20 10 CECDMN C[C@H](C[S@@](C)=O)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000275321158 279373731 /nfs/dbraw/zinc/37/37/31/279373731.db2.gz SIQHJYGTSMJPQV-NSPYISDASA-N 0 1 286.416 2.091 20 10 CECDMN COC(=O)[C@@H]1C[C@H](C)CCN1Cc1cc(C)ccc1O ZINC000274896525 523788169 /nfs/dbraw/zinc/78/81/69/523788169.db2.gz GAQCAXXALIPWGW-OCCSQVGLSA-N 0 1 277.364 2.474 20 10 CECDMN C[C@@H]1CCN(Cc2cccc(Cl)c2O)CC[S@@]1=O ZINC000277601068 524514652 /nfs/dbraw/zinc/51/46/52/524514652.db2.gz LEKKNYUEPPUNOO-MLCYQJTMSA-N 0 1 287.812 2.389 20 10 CECDMN Cc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)c(=O)n1C ZINC000278766921 524583924 /nfs/dbraw/zinc/58/39/24/524583924.db2.gz OIKZWSSKSOKFFM-UHFFFAOYSA-N 0 1 292.766 2.343 20 10 CECDMN COc1ccc(O)c(CNCc2cccnc2OC)c1 ZINC000037650341 524753818 /nfs/dbraw/zinc/75/38/18/524753818.db2.gz 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CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](CO)CC2)c1[O-] ZINC000293167095 627388938 /nfs/dbraw/zinc/38/89/38/627388938.db2.gz OZKJILWVHKCJAA-GFCCVEGCSA-N 0 1 295.354 2.328 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188831490 628297253 /nfs/dbraw/zinc/29/72/53/628297253.db2.gz KYQGWEAAYZBLKK-JOYOIKCWSA-N 0 1 255.745 2.296 20 10 CECDMN OCCCN(Cc1cc(F)cc(F)c1O)CC(F)(F)F ZINC000893998009 629076672 /nfs/dbraw/zinc/07/66/72/629076672.db2.gz AVAQTJXUIDZKJK-UHFFFAOYSA-N 0 1 299.239 2.417 20 10 CECDMN CC[C@H]1CN(Cc2cc(C)cc(OC)c2O)CCO1 ZINC000178849117 629186037 /nfs/dbraw/zinc/18/60/37/629186037.db2.gz JRBCSJTZQUPHRE-ZDUSSCGKSA-N 0 1 265.353 2.320 20 10 CECDMN CCCC[C@H](NCc1cc(F)cc(F)c1O)C(=O)OC ZINC000894468780 629478262 /nfs/dbraw/zinc/47/82/62/629478262.db2.gz CVTQUQGPTIEKQU-LBPRGKRZSA-N 0 1 287.306 2.492 20 10 CECDMN CCn1cnc(CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000902614997 634745035 /nfs/dbraw/zinc/74/50/35/634745035.db2.gz WXURHPWIAWNRKH-LLVKDONJSA-N 0 1 275.352 2.468 20 10 CECDMN C[C@@H](O)CN(Cc1cc(F)cc(F)c1O)CC(F)F ZINC000894913730 629751578 /nfs/dbraw/zinc/75/15/78/629751578.db2.gz CWYDYZJORCHWAN-SSDOTTSWSA-N 0 1 281.249 2.118 20 10 CECDMN C[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895032768 629805773 /nfs/dbraw/zinc/80/57/73/629805773.db2.gz ALAHIVSCZSCDDA-UWVGGRQHSA-N 0 1 271.307 2.121 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000895155045 629970377 /nfs/dbraw/zinc/97/03/77/629970377.db2.gz BYCXXYFYFXXXRX-UHFFFAOYSA-N 0 1 293.754 2.062 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@@H]1CO ZINC000895380533 630147744 /nfs/dbraw/zinc/14/77/44/630147744.db2.gz ZGHYPYHGHLVFFM-MWLCHTKSSA-N 0 1 271.307 2.121 20 10 CECDMN C[N@H+]1CC[C@@H]2CN(Cc3cc(F)cc(F)c3[O-])CC[C@@H]21 ZINC000895459945 630202379 /nfs/dbraw/zinc/20/23/79/630202379.db2.gz CJIRFZQWCJGXKR-YGRLFVJLSA-N 0 1 282.334 2.196 20 10 CECDMN COc1c(O)c(C[N@H+]2CC[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC000895574190 630255079 /nfs/dbraw/zinc/25/50/79/630255079.db2.gz 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/nfs/dbraw/zinc/42/52/11/630425211.db2.gz HOWKCXRZQJXYSD-UHFFFAOYSA-N 0 1 286.169 2.233 20 10 CECDMN COCC1C[NH+](Cc2c([O-])cccc2Br)C1 ZINC000895974581 630425213 /nfs/dbraw/zinc/42/52/13/630425213.db2.gz HOWKCXRZQJXYSD-UHFFFAOYSA-N 0 1 286.169 2.233 20 10 CECDMN Cn1nc(CNCc2cc(F)ccc2O)cc1C1CC1 ZINC000897231356 631004263 /nfs/dbraw/zinc/00/42/63/631004263.db2.gz DCMFUDFVWVKQBM-UHFFFAOYSA-N 0 1 275.327 2.432 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1[O-] ZINC000305734065 631117926 /nfs/dbraw/zinc/11/79/26/631117926.db2.gz LHQDZGHAOQVYSU-AWEZNQCLSA-N 0 1 295.354 2.469 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C(C)(C)O)c1[O-] ZINC000305734065 631117929 /nfs/dbraw/zinc/11/79/29/631117929.db2.gz LHQDZGHAOQVYSU-AWEZNQCLSA-N 0 1 295.354 2.469 20 10 CECDMN COC[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000079498136 631178131 /nfs/dbraw/zinc/17/81/31/631178131.db2.gz QRTNQHQQEIWSTI-CYBMUJFWSA-N 0 1 281.327 2.345 20 10 CECDMN COC[C@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079498136 631178134 /nfs/dbraw/zinc/17/81/34/631178134.db2.gz QRTNQHQQEIWSTI-CYBMUJFWSA-N 0 1 281.327 2.345 20 10 CECDMN COC[C@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079498136 631178137 /nfs/dbraw/zinc/17/81/37/631178137.db2.gz QRTNQHQQEIWSTI-CYBMUJFWSA-N 0 1 281.327 2.345 20 10 CECDMN C[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(Cl)cc1[O-] ZINC000841752909 631733591 /nfs/dbraw/zinc/73/35/91/631733591.db2.gz CUWLRGMNJSNQPS-LLVKDONJSA-N 0 1 298.814 2.153 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)cc1Cl ZINC000897680654 631864949 /nfs/dbraw/zinc/86/49/49/631864949.db2.gz UTVIYQJQEWXDMK-RNCFNFMXSA-N 0 1 255.745 2.167 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)cc1Cl ZINC000897680654 631864952 /nfs/dbraw/zinc/86/49/52/631864952.db2.gz UTVIYQJQEWXDMK-RNCFNFMXSA-N 0 1 255.745 2.167 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898206085 632086732 /nfs/dbraw/zinc/08/67/32/632086732.db2.gz LMNGJEJPEMKWCF-ZDUSSCGKSA-N 0 1 255.745 2.296 20 10 CECDMN Oc1c(F)cc(Cl)cc1CN1CC[C@H](O)[C@H](F)C1 ZINC000898188291 632102839 /nfs/dbraw/zinc/10/28/39/632102839.db2.gz PYUKOVMOICBMGM-MNOVXSKESA-N 0 1 277.698 2.089 20 10 CECDMN Cc1ccc(O)c(CN(C)C[C@@H](O)C(F)(F)F)c1 ZINC000809751313 632140695 /nfs/dbraw/zinc/14/06/95/632140695.db2.gz QQHALNBTAUDJBU-LLVKDONJSA-N 0 1 263.259 2.056 20 10 CECDMN C[C@H]1CCNC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841059354 632361559 /nfs/dbraw/zinc/36/15/59/632361559.db2.gz QECAYFCMCGQIMS-GZMMTYOYSA-N 0 1 299.758 2.041 20 10 CECDMN COCC[C@@H]1COCCN1Cc1cc2c(cc1O)CCC2 ZINC000812299372 632505874 /nfs/dbraw/zinc/50/58/74/632505874.db2.gz IREWSVIDIIICRC-MRXNPFEDSA-N 0 1 291.391 2.118 20 10 CECDMN OC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCC1(F)F ZINC000812775023 632575595 /nfs/dbraw/zinc/57/55/95/632575595.db2.gz CLGDLQIVPRKZRR-JTQLQIEISA-N 0 1 291.725 2.495 20 10 CECDMN CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000812779307 632576224 /nfs/dbraw/zinc/57/62/24/632576224.db2.gz LROCMCLLFXHMGL-LBPRGKRZSA-N 0 1 255.745 2.391 20 10 CECDMN CC1(C)[C@@H](O)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000812779307 632576234 /nfs/dbraw/zinc/57/62/34/632576234.db2.gz LROCMCLLFXHMGL-LBPRGKRZSA-N 0 1 255.745 2.391 20 10 CECDMN C[C@H]1C[C@H](CO)C[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000817413329 633651660 /nfs/dbraw/zinc/65/16/60/633651660.db2.gz WKPKYSJEJLZCIT-QWRGUYRKSA-N 0 1 269.772 2.496 20 10 CECDMN C[C@H]1C[C@H](CO)C[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000817413329 633651666 /nfs/dbraw/zinc/65/16/66/633651666.db2.gz WKPKYSJEJLZCIT-QWRGUYRKSA-N 0 1 269.772 2.496 20 10 CECDMN CNC(=O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000817414871 633653225 /nfs/dbraw/zinc/65/32/25/633653225.db2.gz KHBAMSZSIBYPQG-CQSZACIVSA-N 0 1 284.359 2.113 20 10 CECDMN CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000817414871 633653229 /nfs/dbraw/zinc/65/32/29/633653229.db2.gz KHBAMSZSIBYPQG-CQSZACIVSA-N 0 1 284.359 2.113 20 10 CECDMN C[C@@H]1C[C@H]([NH2+]CC2(CC(N)=O)CC2)c2c1c(F)ccc2[O-] ZINC000817586552 633702707 /nfs/dbraw/zinc/70/27/07/633702707.db2.gz PMGZWQBQGBACMG-KOLCDFICSA-N 0 1 292.354 2.325 20 10 CECDMN C[C@@H](N)C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817971297 633814085 /nfs/dbraw/zinc/81/40/85/633814085.db2.gz CATFFRHOYNMZMH-RNFRBKRXSA-N 0 1 291.164 2.292 20 10 CECDMN CN(C)c1nc(NCC=Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000818214794 633887450 /nfs/dbraw/zinc/88/74/50/633887450.db2.gz MECWEXBJYDHRGI-WAYWQWQTSA-N 0 1 286.383 2.062 20 10 CECDMN Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c1 ZINC000818631266 633966014 /nfs/dbraw/zinc/96/60/14/633966014.db2.gz DQYAMRFHPMFLKT-SMDDNHRTSA-N 0 1 263.337 2.386 20 10 CECDMN C[C@H]1CCC[N@H+](Cc2cccc(F)c2O)[C@@H]1C(=O)[O-] ZINC000818631574 633967530 /nfs/dbraw/zinc/96/75/30/633967530.db2.gz JQKDJSBDJKBFLB-CABZTGNLSA-N 0 1 267.300 2.216 20 10 CECDMN C[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)[C@@H]1C(=O)[O-] ZINC000818631574 633967534 /nfs/dbraw/zinc/96/75/34/633967534.db2.gz JQKDJSBDJKBFLB-CABZTGNLSA-N 0 1 267.300 2.216 20 10 CECDMN C[C@@H]([NH2+]CCN1CCCOCC1)c1cc(Cl)ccc1[O-] ZINC000903227312 635016886 /nfs/dbraw/zinc/01/68/86/635016886.db2.gz LIOFMTPDDFDGES-GFCCVEGCSA-N 0 1 298.814 2.419 20 10 CECDMN COc1nccc(CNCc2ccc(N(C)C)cc2C)n1 ZINC000823847428 635289673 /nfs/dbraw/zinc/28/96/73/635289673.db2.gz NCJXIDXHAVNGHS-UHFFFAOYSA-N 0 1 286.379 2.149 20 10 CECDMN CO[C@@H]1COCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000824710446 635483096 /nfs/dbraw/zinc/48/30/96/635483096.db2.gz YWFQGPSIOVDLSU-IINYFYTJSA-N 0 1 285.771 2.187 20 10 CECDMN C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)cc(F)c3O)C[C@@H]21 ZINC000824893402 635518424 /nfs/dbraw/zinc/51/84/24/635518424.db2.gz RESNFXTZYQDJEU-RNCFNFMXSA-N 0 1 284.762 2.321 20 10 CECDMN C[N@H+]1CC[C@@H]2CN(Cc3cc(Cl)cc(F)c3O)C[C@@H]21 ZINC000824893402 635518432 /nfs/dbraw/zinc/51/84/32/635518432.db2.gz RESNFXTZYQDJEU-RNCFNFMXSA-N 0 1 284.762 2.321 20 10 CECDMN CN1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]21 ZINC000824893402 635518435 /nfs/dbraw/zinc/51/84/35/635518435.db2.gz RESNFXTZYQDJEU-RNCFNFMXSA-N 0 1 284.762 2.321 20 10 CECDMN CN1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]21 ZINC000824893402 635518440 /nfs/dbraw/zinc/51/84/40/635518440.db2.gz RESNFXTZYQDJEU-RNCFNFMXSA-N 0 1 284.762 2.321 20 10 CECDMN C[C@H](O)CN(Cc1cccc(Cl)c1O)CC(F)F ZINC000825098523 635567227 /nfs/dbraw/zinc/56/72/27/635567227.db2.gz KETZPJKXMZLWDY-QMMMGPOBSA-N 0 1 279.714 2.494 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](CO)C(C)C)cc1Cl ZINC000825326033 635617520 /nfs/dbraw/zinc/61/75/20/635617520.db2.gz LCBAUJXRWBHCFE-GFCCVEGCSA-N 0 1 257.761 2.461 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(O)CCSC2)cc1Cl ZINC000825331135 635618251 /nfs/dbraw/zinc/61/82/51/635618251.db2.gz IWNZIJKBVQNVPZ-ZDUSSCGKSA-N 0 1 287.812 2.312 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@]2(O)CCSC2)cc1Cl ZINC000825331132 635618290 /nfs/dbraw/zinc/61/82/90/635618290.db2.gz IWNZIJKBVQNVPZ-CYBMUJFWSA-N 0 1 287.812 2.312 20 10 CECDMN [O-]c1c(F)cccc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904431575 635626641 /nfs/dbraw/zinc/62/66/41/635626641.db2.gz WWYAOUUNUPTOSY-HNNXBMFYSA-N 0 1 264.344 2.249 20 10 CECDMN Cc1cc(O)c(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)cc1Cl ZINC000826122206 635763881 /nfs/dbraw/zinc/76/38/81/635763881.db2.gz YVPSYJOSHUBVRD-NSHDSACASA-N 0 1 296.798 2.264 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)cc1Cl ZINC000826122206 635763886 /nfs/dbraw/zinc/76/38/86/635763886.db2.gz YVPSYJOSHUBVRD-NSHDSACASA-N 0 1 296.798 2.264 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)cc1Cl ZINC000826122206 635763892 /nfs/dbraw/zinc/76/38/92/635763892.db2.gz YVPSYJOSHUBVRD-NSHDSACASA-N 0 1 296.798 2.264 20 10 CECDMN CO[C@]1(CO)CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000826952714 636170088 /nfs/dbraw/zinc/17/00/88/636170088.db2.gz QIMOGNSPILDBLU-CQSZACIVSA-N 0 1 285.771 2.019 20 10 CECDMN COc1cc(Cl)cc(C[N@H+](C)CC2CN(C)C2)c1[O-] ZINC000827124673 636224930 /nfs/dbraw/zinc/22/49/30/636224930.db2.gz DDEDTIBMGOLDKL-UHFFFAOYSA-N 0 1 284.787 2.048 20 10 CECDMN COc1cc(Cl)cc(C[N@@H+](C)CC2CN(C)C2)c1[O-] ZINC000827124673 636224935 /nfs/dbraw/zinc/22/49/35/636224935.db2.gz DDEDTIBMGOLDKL-UHFFFAOYSA-N 0 1 284.787 2.048 20 10 CECDMN O=C1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])CC[C@H]2N1 ZINC000827140147 636233160 /nfs/dbraw/zinc/23/31/60/636233160.db2.gz IFXABRRMONNGTE-GXFFZTMASA-N 0 1 294.782 2.146 20 10 CECDMN O=C1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])CC[C@H]2N1 ZINC000827140147 636233164 /nfs/dbraw/zinc/23/31/64/636233164.db2.gz IFXABRRMONNGTE-GXFFZTMASA-N 0 1 294.782 2.146 20 10 CECDMN C[C@@H]1C[NH+](Cc2c([O-])cccc2Cl)C[C@@H](C)C1O ZINC000827151727 636237710 /nfs/dbraw/zinc/23/77/10/636237710.db2.gz IPKNKHKWGQAMSS-NXEZZACHSA-N 0 1 269.772 2.494 20 10 CECDMN Oc1c(Cl)cccc1CN1CCc2nccnc2C1 ZINC000827692915 636394150 /nfs/dbraw/zinc/39/41/50/636394150.db2.gz SEOGGLYGLWHXHO-UHFFFAOYSA-N 0 1 275.739 2.394 20 10 CECDMN Cn1cc(C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])cn1 ZINC000876547472 650318524 /nfs/dbraw/zinc/31/85/24/650318524.db2.gz BRPDHJJEKOFCLE-UHFFFAOYSA-N 0 1 267.279 2.036 20 10 CECDMN CCN1C[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1=O ZINC000834889844 637979306 /nfs/dbraw/zinc/97/93/06/637979306.db2.gz KJARNAGQNIVOOI-KOLCDFICSA-N 0 1 282.771 2.317 20 10 CECDMN Cc1cnc(CC[NH2+]Cc2c([O-])cccc2Cl)cn1 ZINC000835062720 638044780 /nfs/dbraw/zinc/04/47/80/638044780.db2.gz WRNJUVKGBSSVII-UHFFFAOYSA-N 0 1 277.755 2.476 20 10 CECDMN Cc1ccc(CN2CCO[C@H]([C@@H]3CCCO3)C2)c(O)c1 ZINC000876806926 650440473 /nfs/dbraw/zinc/44/04/73/650440473.db2.gz WHDYAVMKKBNUQC-HOTGVXAUSA-N 0 1 277.364 2.080 20 10 CECDMN Oc1ccc(Br)cc1CNCc1cc[nH]n1 ZINC000164067150 639344396 /nfs/dbraw/zinc/34/43/96/639344396.db2.gz JWDUTOHKCIZHRT-UHFFFAOYSA-N 0 1 282.141 2.168 20 10 CECDMN COc1ncccc1CNCc1cc(F)ccc1O ZINC000226584409 639554702 /nfs/dbraw/zinc/55/47/02/639554702.db2.gz LZQVPDYFZMWGMR-UHFFFAOYSA-N 0 1 262.284 2.225 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(C)C2)c(Cl)c1 ZINC000840891756 639573338 /nfs/dbraw/zinc/57/33/38/639573338.db2.gz CWIVWXQQEYNRDM-JTQLQIEISA-N 0 1 254.761 2.148 20 10 CECDMN CC(=O)N1CCCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840910240 639582328 /nfs/dbraw/zinc/58/23/28/639582328.db2.gz OTRGJYNOZTZAEF-UHFFFAOYSA-N 0 1 296.798 2.408 20 10 CECDMN CCNC(=O)CN(CC)Cc1ccc(N(C)C)cc1C ZINC000840910655 639582612 /nfs/dbraw/zinc/58/26/12/639582612.db2.gz VTLHZXIEFJKQJG-UHFFFAOYSA-N 0 1 277.412 2.019 20 10 CECDMN CNC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840915166 639584724 /nfs/dbraw/zinc/58/47/24/639584724.db2.gz LTZWBTKPWVWQHR-LLVKDONJSA-N 0 1 296.798 2.312 20 10 CECDMN CNC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840915166 639584727 /nfs/dbraw/zinc/58/47/27/639584727.db2.gz LTZWBTKPWVWQHR-LLVKDONJSA-N 0 1 296.798 2.312 20 10 CECDMN C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(Cl)cc1[O-] ZINC000841748063 639856879 /nfs/dbraw/zinc/85/68/79/639856879.db2.gz VVWNKYXBQHQWIP-KOLCDFICSA-N 0 1 254.761 2.400 20 10 CECDMN C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(Cl)cc1[O-] ZINC000841752459 639857816 /nfs/dbraw/zinc/85/78/16/639857816.db2.gz TVKMKQGUWOHRDW-NOZJJQNGSA-N 0 1 295.770 2.163 20 10 CECDMN C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753912 639858945 /nfs/dbraw/zinc/85/89/45/639858945.db2.gz OJGAGXNEKLHNTM-NMIRZEMHSA-N 0 1 275.801 2.463 20 10 CECDMN CCN1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1=O ZINC000841759300 639860166 /nfs/dbraw/zinc/86/01/66/639860166.db2.gz YJLZNTKSSOBCTI-MWLCHTKSSA-N 0 1 282.771 2.317 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2C[C@H](C[NH3+])C[C@@H]2C)c1[O-] ZINC000843362454 640404637 /nfs/dbraw/zinc/40/46/37/640404637.db2.gz HJAPJFSFDMGZKO-ONGXEEELSA-N 0 1 296.798 2.417 20 10 CECDMN CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877180539 650613624 /nfs/dbraw/zinc/61/36/24/650613624.db2.gz ZEWLRNZZGMWVGP-CYBMUJFWSA-N 0 1 284.350 2.442 20 10 CECDMN CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877180539 650613628 /nfs/dbraw/zinc/61/36/28/650613628.db2.gz ZEWLRNZZGMWVGP-CYBMUJFWSA-N 0 1 284.350 2.442 20 10 CECDMN CC(C)[C@H]1CN(C)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877180539 650613632 /nfs/dbraw/zinc/61/36/32/650613632.db2.gz ZEWLRNZZGMWVGP-CYBMUJFWSA-N 0 1 284.350 2.442 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)[C@H](C(=O)[O-])C1 ZINC000846279446 641255548 /nfs/dbraw/zinc/25/55/48/641255548.db2.gz AFEAYCMOYVVALN-DOMZBBRYSA-N 0 1 276.380 2.438 20 10 CECDMN C[C@@H]1[C@H](C)N(Cc2ccc(F)c(F)c2[O-])CC[N@@H+]1C ZINC000877409262 650710608 /nfs/dbraw/zinc/71/06/08/650710608.db2.gz ONXPVPDQPZDQQE-ZJUUUORDSA-N 0 1 270.323 2.195 20 10 CECDMN C[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)NC(C)(C)C ZINC000921612734 642258892 /nfs/dbraw/zinc/25/88/92/642258892.db2.gz DYXJIYKUAOLLTJ-GFCCVEGCSA-N 0 1 290.407 2.404 20 10 CECDMN C[C@]1(O)CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877489160 650746672 /nfs/dbraw/zinc/74/66/72/650746672.db2.gz KSZMIEIOVYXERW-AWEZNQCLSA-N 0 1 271.307 2.407 20 10 CECDMN Cc1ccc(CN2CCC[C@@H](S(C)(=O)=O)CC2)c(O)c1 ZINC000877500339 650753403 /nfs/dbraw/zinc/75/34/03/650753403.db2.gz SBJVEDJVYVJODA-CQSZACIVSA-N 0 1 297.420 2.100 20 10 CECDMN CC[C@@H]1CN(Cc2c(C)cccc2O)C[C@@H](C)[S@]1=O ZINC000877519691 650763222 /nfs/dbraw/zinc/76/32/22/650763222.db2.gz ZLLGIPMCTITWMW-VLXJIEOASA-N 0 1 281.421 2.432 20 10 CECDMN Cc1ccc(CN(C)C[C@H](O)C(F)(F)F)c(O)c1 ZINC000877526905 650768494 /nfs/dbraw/zinc/76/84/94/650768494.db2.gz GGQLPYYBPXLPGB-NSHDSACASA-N 0 1 263.259 2.056 20 10 CECDMN C[N@@H+](CCCn1ccnc1)Cc1ccc(F)c(F)c1[O-] ZINC000877527371 650768585 /nfs/dbraw/zinc/76/85/85/650768585.db2.gz KVFFERHGIDAQNY-UHFFFAOYSA-N 0 1 281.306 2.389 20 10 CECDMN CO[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)[C@@H]1CCOC1 ZINC000850343765 642674160 /nfs/dbraw/zinc/67/41/60/642674160.db2.gz WNXPKAYABRKIAZ-YGRLFVJLSA-N 0 1 285.771 2.187 20 10 CECDMN CCOC(=O)[C@@H](F)C1CN(Cc2ccc(C)cc2O)C1 ZINC000877549703 650782074 /nfs/dbraw/zinc/78/20/74/650782074.db2.gz HGJZRBCAAHCXRC-AWEZNQCLSA-N 0 1 281.327 2.034 20 10 CECDMN [O-]c1c(C[N@@H+]2CCC[C@H](CO)CC2)ccc(F)c1F ZINC000877555310 650785716 /nfs/dbraw/zinc/78/57/16/650785716.db2.gz SKARIVIZULPARC-JTQLQIEISA-N 0 1 271.307 2.265 20 10 CECDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])CC1=CCCOC1 ZINC000877628788 650821109 /nfs/dbraw/zinc/82/11/09/650821109.db2.gz KBEVIZODZXCLOA-UHFFFAOYSA-N 0 1 269.291 2.449 20 10 CECDMN COC(=O)[C@@](C)(CCF)NCc1ccc(F)c(F)c1O ZINC000877631148 650823248 /nfs/dbraw/zinc/82/32/48/650823248.db2.gz GIULPAAPAKJMLC-CYBMUJFWSA-N 0 1 291.269 2.051 20 10 CECDMN CN(C)[C@H](C[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000113324822 643425045 /nfs/dbraw/zinc/42/50/45/643425045.db2.gz RXZLECYOKXTTGL-CYBMUJFWSA-N 0 1 268.788 2.475 20 10 CECDMN O=c1c(CN2Cc3cccc(O)c3C2)cccn1C(F)F ZINC000877702740 650859814 /nfs/dbraw/zinc/85/98/14/650859814.db2.gz FTPMBXHLUYWTCC-UHFFFAOYSA-N 0 1 292.285 2.465 20 10 CECDMN C[C@@H]1C[C@H](C)CN(C(=O)CN(C)Cc2ccccc2O)C1 ZINC000111236499 643734603 /nfs/dbraw/zinc/73/46/03/643734603.db2.gz NGMNSPGTJYXLGY-OKILXGFUSA-N 0 1 290.407 2.329 20 10 CECDMN Cc1noc(C2CN(Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC000839130951 644168383 /nfs/dbraw/zinc/16/83/83/644168383.db2.gz JMHMMOWOBYDOQS-UHFFFAOYSA-N 0 1 297.717 2.476 20 10 CECDMN CC(C)C1(O)C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000839133896 644170410 /nfs/dbraw/zinc/17/04/10/644170410.db2.gz XLTOYHZYCDMFNA-UHFFFAOYSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(Cl)ccc1[O-] ZINC000756638373 644676852 /nfs/dbraw/zinc/67/68/52/644676852.db2.gz OSSZWAZKOSYZCJ-JOYOIKCWSA-N 0 1 282.771 2.317 20 10 CECDMN CC1(C)OCC([NH2+]Cc2cc(Cl)ccc2[O-])CO1 ZINC000758012586 644871223 /nfs/dbraw/zinc/87/12/23/644871223.db2.gz RZISCWGVZSLPAE-UHFFFAOYSA-N 0 1 271.744 2.287 20 10 CECDMN [O-]c1cccc(Br)c1C[NH2+][C@H](CO)C1CC1 ZINC000858137933 645071513 /nfs/dbraw/zinc/07/15/13/645071513.db2.gz ISUXHXAYAAQYTQ-LLVKDONJSA-N 0 1 286.169 2.015 20 10 CECDMN C[C@H]([NH2+]C[C@H]1COCCN1C)c1cc(Cl)ccc1[O-] ZINC000858522535 645190720 /nfs/dbraw/zinc/19/07/20/645190720.db2.gz FTRKZNCWEDNIHR-JQWIXIFHSA-N 0 1 284.787 2.027 20 10 CECDMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769078602 646201633 /nfs/dbraw/zinc/20/16/33/646201633.db2.gz QKLPIELUMXXYSC-GFCCVEGCSA-N 0 1 293.363 2.176 20 10 CECDMN CCOc1ccc(CN(C)Cc2cn[nH]c2)c(O)c1 ZINC000769427305 646265224 /nfs/dbraw/zinc/26/52/24/646265224.db2.gz XOGLNYVVEVNCKW-UHFFFAOYSA-N 0 1 261.325 2.146 20 10 CECDMN CC[C@H](CO)N(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862382687 646428299 /nfs/dbraw/zinc/42/82/99/646428299.db2.gz WRLUHDZOKLCPSY-LLVKDONJSA-N 0 1 272.339 2.234 20 10 CECDMN C[C@@](CO)(NCc1ccc2c(c1)CCO2)c1cccc(O)c1 ZINC000862431171 646458302 /nfs/dbraw/zinc/45/83/02/646458302.db2.gz DYADDTRIAKZSDK-SFHVURJKSA-N 0 1 299.370 2.324 20 10 CECDMN COC(=O)C1=CC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000862465122 646468619 /nfs/dbraw/zinc/46/86/19/646468619.db2.gz DMZWIKIOCISTFM-SNVBAGLBSA-N 0 1 281.739 2.397 20 10 CECDMN CCOc1cccc(CN2CCO[C@](C)(COC)C2)c1O ZINC000862550994 646496687 /nfs/dbraw/zinc/49/66/87/646496687.db2.gz IZRIFUKYIYUPMD-INIZCTEOSA-N 0 1 295.379 2.028 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN(C)C[C@H](C)[NH3+])c1[O-] ZINC000863566198 646757666 /nfs/dbraw/zinc/75/76/66/646757666.db2.gz DSWYRPIFRNAASJ-QMMMGPOBSA-N 0 1 270.760 2.027 20 10 CECDMN CC[C@H]1CO[C@H](C)CN1Cc1cc(OC)c(OC)cc1O ZINC000775642837 646974769 /nfs/dbraw/zinc/97/47/69/646974769.db2.gz PCYLUEANKFRXMR-YPMHNXCESA-N 0 1 295.379 2.409 20 10 CECDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1O ZINC000775744005 646986640 /nfs/dbraw/zinc/98/66/40/646986640.db2.gz IUZGPEAUTYMTSY-PRHODGIISA-N 0 1 273.735 2.387 20 10 CECDMN CCOC(=O)c1ccc(CNCc2ccccc2O)o1 ZINC000776151605 647027200 /nfs/dbraw/zinc/02/72/00/647027200.db2.gz QNSDZHRILCRNBY-UHFFFAOYSA-N 0 1 275.304 2.452 20 10 CECDMN COc1ccc(O)c(CNCc2ccc(F)cn2)c1 ZINC000776251741 647042756 /nfs/dbraw/zinc/04/27/56/647042756.db2.gz XRMPBAZVHKNQOL-UHFFFAOYSA-N 0 1 262.284 2.225 20 10 CECDMN Nc1nc2c(c(N3Cc4cccc(O)c4C3)n1)CCCC2 ZINC000866116690 647617258 /nfs/dbraw/zinc/61/72/58/647617258.db2.gz AZPVMNWVNURZSK-UHFFFAOYSA-N 0 1 282.347 2.163 20 10 CECDMN CCOc1ccc(CN2C[C@@H](C)O[C@H](COC)C2)c(O)c1 ZINC000784666885 647873665 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652511879 /nfs/dbraw/zinc/51/18/79/652511879.db2.gz JSZKPKCVFMHNLE-UHFFFAOYSA-N 0 1 251.326 2.012 20 10 CECDMN CCc1cccc(CN(CCF)CCOC)c1O ZINC000697056225 806134290 /nfs/dbraw/zinc/13/42/90/806134290.db2.gz SJTGXDIGSWLPCV-UHFFFAOYSA-N 0 1 255.333 2.373 20 10 CECDMN CC[N@@H+](Cc1cc(F)c(F)cc1[O-])CC(C)(C)O ZINC001142527254 806620146 /nfs/dbraw/zinc/62/01/46/806620146.db2.gz QFORNOQSFYHCPU-UHFFFAOYSA-N 0 1 259.296 2.263 20 10 CECDMN [O-]c1cccc(Br)c1C[NH2+]C1(CO)CCC1 ZINC000706871602 802847106 /nfs/dbraw/zinc/84/71/06/802847106.db2.gz MAYDIHXTPLJORW-UHFFFAOYSA-N 0 1 286.169 2.159 20 10 CECDMN C[C@H](Cn1cccn1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000037155666 815020550 /nfs/dbraw/zinc/02/05/50/815020550.db2.gz QJXXHBMCMTTZFA-SNVBAGLBSA-N 0 1 265.744 2.420 20 10 CECDMN CC1(C)C[N@H+](Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000703579964 809666474 /nfs/dbraw/zinc/66/64/74/809666474.db2.gz BPJWOUHTASXGCO-UHFFFAOYSA-N 0 1 257.280 2.281 20 10 CECDMN CC1(C)C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000703579964 809666477 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C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000375410237 374657794 /nfs/dbraw/zinc/65/77/94/374657794.db2.gz GCNIGIZPKOSSGV-UXLLHSPISA-N 0 1 291.391 2.144 20 10 CECDMN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000285450451 375838905 /nfs/dbraw/zinc/83/89/05/375838905.db2.gz SNZVVZRPDVSUDX-BETUJISGSA-N 0 1 281.327 2.343 20 10 CECDMN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000285450451 375838912 /nfs/dbraw/zinc/83/89/12/375838912.db2.gz SNZVVZRPDVSUDX-BETUJISGSA-N 0 1 281.327 2.343 20 10 CECDMN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ccc(=O)[nH]n1 ZINC000285876794 375843305 /nfs/dbraw/zinc/84/33/05/375843305.db2.gz ZFFXVGFZJCPRER-CYBMUJFWSA-N 0 1 298.390 2.221 20 10 CECDMN CC(C)[N@@H+](CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000294963223 378032456 /nfs/dbraw/zinc/03/24/56/378032456.db2.gz QWWBIDXTKBLYFT-UHFFFAOYSA-N 0 1 261.724 2.387 20 10 CECDMN C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Cl)ccc1[O-] ZINC000184982064 262036032 /nfs/dbraw/zinc/03/60/32/262036032.db2.gz 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/nfs/dbraw/zinc/27/44/67/261274467.db2.gz GJEFMARVPLQSBM-CQSZACIVSA-N 0 1 283.343 2.231 20 10 CECDMN C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000164322492 261348262 /nfs/dbraw/zinc/34/82/62/261348262.db2.gz KADQILYULBMEFG-BDAKNGLRSA-N 0 1 288.185 2.261 20 10 CECDMN C[C@@H](CCCO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000165848127 261378191 /nfs/dbraw/zinc/37/81/91/261378191.db2.gz NAVZEDVYQNXICM-VIFPVBQESA-N 0 1 288.185 2.405 20 10 CECDMN C[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Cl)ccc1[O-] ZINC000186220145 262084370 /nfs/dbraw/zinc/08/43/70/262084370.db2.gz OAZPOXWLKGUMDC-QMMMGPOBSA-N 0 1 270.760 2.208 20 10 CECDMN C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186539917 262098147 /nfs/dbraw/zinc/09/81/47/262098147.db2.gz AWTZBLQBXKHZEZ-GSRNSYJJSA-N 0 1 275.801 2.463 20 10 CECDMN CC[C@H](c1ccccc1O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000367681117 267108611 /nfs/dbraw/zinc/10/86/11/267108611.db2.gz CNRQHKBJZHCBQU-UXIGCNINSA-N 0 1 293.363 2.106 20 10 CECDMN O=C1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@@H](C2CC2)N1 ZINC000370285887 267306580 /nfs/dbraw/zinc/30/65/80/267306580.db2.gz QOAYWTWUAJMRDL-SWLSCSKDSA-N 0 1 294.782 2.192 20 10 CECDMN Oc1c(Cl)cccc1CN1CCn2cncc2C1 ZINC000291533699 328264746 /nfs/dbraw/zinc/26/47/46/328264746.db2.gz KNCMKXLXIYXXKW-UHFFFAOYSA-N 0 1 263.728 2.258 20 10 CECDMN COc1ccc(O)c(CN(C(C)C)C2COC2)c1 ZINC000296196595 328289324 /nfs/dbraw/zinc/28/93/24/328289324.db2.gz YWNGMYGLFGFIKY-UHFFFAOYSA-N 0 1 251.326 2.010 20 10 CECDMN Cc1ccc(O)c(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000377709400 329026454 /nfs/dbraw/zinc/02/64/54/329026454.db2.gz YVMQGJYUPPSPBE-HOCLYGCPSA-N 0 1 277.364 2.080 20 10 CECDMN Cc1ccc(O)c(CN2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000377709400 329026455 /nfs/dbraw/zinc/02/64/55/329026455.db2.gz YVMQGJYUPPSPBE-HOCLYGCPSA-N 0 1 277.364 2.080 20 10 CECDMN COc1ccc(O)c(CN[C@@H](C)c2nnc3ccccn32)c1 ZINC000237362536 333379032 /nfs/dbraw/zinc/37/90/32/333379032.db2.gz TUIMGEYALBAUIT-NSHDSACASA-N 0 1 298.346 2.294 20 10 CECDMN COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000281587933 521811730 /nfs/dbraw/zinc/81/17/30/521811730.db2.gz LMJNZTBEWUDCCL-ONGXEEELSA-N 0 1 273.760 2.094 20 10 CECDMN CCCOc1ccc(CN2CCC[C@@](F)(CO)C2)c(O)c1 ZINC000289816633 520348391 /nfs/dbraw/zinc/34/83/91/520348391.db2.gz NWTOFVALOGCRGU-INIZCTEOSA-N 0 1 297.370 2.477 20 10 CECDMN CC[N@H+](CCC(=O)OC)Cc1c([O-])cccc1Cl ZINC000130498299 520993258 /nfs/dbraw/zinc/99/32/58/520993258.db2.gz KLSYMGUQAKXTCV-UHFFFAOYSA-N 0 1 271.744 2.431 20 10 CECDMN CC[N@@H+](CCC(=O)OC)Cc1c([O-])cccc1Cl ZINC000130498299 520993266 /nfs/dbraw/zinc/99/32/66/520993266.db2.gz KLSYMGUQAKXTCV-UHFFFAOYSA-N 0 1 271.744 2.431 20 10 CECDMN CCNC(=O)C1(C[NH2+]Cc2c([O-])cccc2Cl)CCC1 ZINC000277547743 521733431 /nfs/dbraw/zinc/73/34/31/521733431.db2.gz ZVMZZOXGBNTPJZ-UHFFFAOYSA-N 0 1 296.798 2.442 20 10 CECDMN COc1c([O-])c(C[N@@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000278240719 521864466 /nfs/dbraw/zinc/86/44/66/521864466.db2.gz NTAUZURTBRVEKO-UHFFFAOYSA-N 0 1 268.313 2.397 20 10 CECDMN C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000131041381 524866822 /nfs/dbraw/zinc/86/68/22/524866822.db2.gz JUQJAQWLMOTIMH-XYZCENFISA-N 0 1 275.801 2.244 20 10 CECDMN C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000289577770 525137877 /nfs/dbraw/zinc/13/78/77/525137877.db2.gz JUQFGTWXFJHZKC-MNOVXSKESA-N 0 1 253.317 2.294 20 10 CECDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000372817388 526345517 /nfs/dbraw/zinc/34/55/17/526345517.db2.gz ZFVIUTIADAUHGM-VIFPVBQESA-N 0 1 296.733 2.223 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000374271470 526347512 /nfs/dbraw/zinc/34/75/12/526347512.db2.gz ODQYZDXCZLCAEU-HIFRSBDPSA-N 0 1 297.782 2.473 20 10 CECDMN Cc1cc(O)c(C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1C ZINC000740089387 574941769 /nfs/dbraw/zinc/94/17/69/574941769.db2.gz SFXZXOCTAJWMBI-OCCSQVGLSA-N 0 1 292.379 2.487 20 10 CECDMN Cc1cc(N(C)C)ccc1CNCc1ccc(CO)o1 ZINC000742371364 575018245 /nfs/dbraw/zinc/01/82/45/575018245.db2.gz SJIOWCMNYBMUIU-UHFFFAOYSA-N 0 1 274.364 2.436 20 10 CECDMN CN1C(=O)C2(CCCC2)N[C@@H]1c1cccc(Cl)c1O ZINC000742439108 575021800 /nfs/dbraw/zinc/02/18/00/575021800.db2.gz IGWZQVJMLBJKEB-LBPRGKRZSA-N 0 1 280.755 2.419 20 10 CECDMN CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000817818277 597536916 /nfs/dbraw/zinc/53/69/16/597536916.db2.gz YGFGLNRDHTUPKU-SNVBAGLBSA-N 0 1 293.363 2.302 20 10 CECDMN CCOc1ccc(O)c(C[N@@H+](CCC(=O)[O-])C(C)C)c1 ZINC000833663678 604644778 /nfs/dbraw/zinc/64/47/78/604644778.db2.gz ZUZKHUPTSKPKDB-UHFFFAOYSA-N 0 1 281.352 2.476 20 10 CECDMN C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(F)ccc1[O-] ZINC000252812387 622588020 /nfs/dbraw/zinc/58/80/20/622588020.db2.gz QAOVZRXWJQODNC-DLOVCJGASA-N 0 1 253.317 2.485 20 10 CECDMN COc1ccc(CN2C[C@H](C)OC(C)(C)C2)c(O)c1OC ZINC000891796344 623976130 /nfs/dbraw/zinc/97/61/30/623976130.db2.gz CNTQNXJIEVVYLE-NSHDSACASA-N 0 1 295.379 2.409 20 10 CECDMN C[C@](O)(C[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000310433812 628291622 /nfs/dbraw/zinc/29/16/22/628291622.db2.gz QVPZOVFSYCOAKM-ZDUSSCGKSA-N 0 1 255.745 2.296 20 10 CECDMN CO[C@@H]1C[N@H+](Cc2c([O-])cc(C)cc2Cl)C[C@@H]1OC ZINC000840941736 628781908 /nfs/dbraw/zinc/78/19/08/628781908.db2.gz JQXSBVGCFSPRSV-OKILXGFUSA-N 0 1 285.771 2.200 20 10 CECDMN CO[C@@H]1C[N@@H+](Cc2c([O-])cc(C)cc2Cl)C[C@@H]1OC ZINC000840941736 628781913 /nfs/dbraw/zinc/78/19/13/628781913.db2.gz JQXSBVGCFSPRSV-OKILXGFUSA-N 0 1 285.771 2.200 20 10 CECDMN CN1CCN(c2ccc(CNC(=O)/C=C/C3CC3)cc2)CC1 ZINC000893608565 628787053 /nfs/dbraw/zinc/78/70/53/628787053.db2.gz WTLKUGVRAPVDNP-RMKNXTFCSA-N 0 1 299.418 2.021 20 10 CECDMN COc1cc(C)cc(CN(C)Cc2cn[nH]c2)c1O ZINC000894028480 629095184 /nfs/dbraw/zinc/09/51/84/629095184.db2.gz RXSRRGJOPCAKBJ-UHFFFAOYSA-N 0 1 261.325 2.064 20 10 CECDMN CC[C@@H](NCc1nnnn1C1CC1)c1ccc(C)cc1O ZINC000794813826 629327296 /nfs/dbraw/zinc/32/72/96/629327296.db2.gz FQCQOOFJKXVJEI-CYBMUJFWSA-N 0 1 287.367 2.263 20 10 CECDMN Oc1c(F)cc(F)cc1CN1CCOC[C@H]1[C@H]1CCCO1 ZINC000894747497 629616581 /nfs/dbraw/zinc/61/65/81/629616581.db2.gz LUSQWRDSGHALIU-UONOGXRCSA-N 0 1 299.317 2.050 20 10 CECDMN COc1cc(C)cc(CN2CC(C(F)F)C2)c1O ZINC000894977818 629779078 /nfs/dbraw/zinc/77/90/78/629779078.db2.gz XKIGJQXYKJKSCX-UHFFFAOYSA-N 0 1 257.280 2.406 20 10 CECDMN CCc1cccc(CN2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1O ZINC000895123753 629926674 /nfs/dbraw/zinc/92/66/74/629926674.db2.gz ZCHTXGGXVAKGFY-IJLUTSLNSA-N 0 1 276.380 2.052 20 10 CECDMN Oc1c(CNc2n[nH]c3c2COCC3)ccc(F)c1F ZINC000895741437 630321037 /nfs/dbraw/zinc/32/10/37/630321037.db2.gz HUEZBEFQWNTDMV-UHFFFAOYSA-N 0 1 281.262 2.078 20 10 CECDMN Cc1cccc(CN2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1O ZINC000895919261 630403103 /nfs/dbraw/zinc/40/31/03/630403103.db2.gz DZTKFHKSXWQRBO-JHJVBQTASA-N 0 1 276.380 2.140 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726006 635486428 /nfs/dbraw/zinc/48/64/28/635486428.db2.gz DOFKJZIBHUKEAQ-LBPRGKRZSA-N 0 1 277.698 2.248 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726006 635486431 /nfs/dbraw/zinc/48/64/31/635486431.db2.gz DOFKJZIBHUKEAQ-LBPRGKRZSA-N 0 1 277.698 2.248 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c(Cl)c1 ZINC000897680813 631864851 /nfs/dbraw/zinc/86/48/51/631864851.db2.gz WNUGWKPDSAJYBD-ZANVPECISA-N 0 1 255.745 2.167 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2C[C@H](O)[C@@H](C)C2)c(Cl)c1 ZINC000897680813 631864858 /nfs/dbraw/zinc/86/48/58/631864858.db2.gz WNUGWKPDSAJYBD-ZANVPECISA-N 0 1 255.745 2.167 20 10 CECDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000897681185 631865506 /nfs/dbraw/zinc/86/55/06/631865506.db2.gz YRUSVPLOFDNCNC-ABAIWWIYSA-N 0 1 257.333 2.358 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000897681185 631865511 /nfs/dbraw/zinc/86/55/11/631865511.db2.gz YRUSVPLOFDNCNC-ABAIWWIYSA-N 0 1 257.333 2.358 20 10 CECDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000840119551 631874728 /nfs/dbraw/zinc/87/47/28/631874728.db2.gz SFQKYHXJEPQAQC-HNNXBMFYSA-N 0 1 294.301 2.142 20 10 CECDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000840119551 631874734 /nfs/dbraw/zinc/87/47/34/631874734.db2.gz SFQKYHXJEPQAQC-HNNXBMFYSA-N 0 1 294.301 2.142 20 10 CECDMN CCN1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1=O ZINC000826064438 635754971 /nfs/dbraw/zinc/75/49/71/635754971.db2.gz KEADXWUGBGTTBJ-LLVKDONJSA-N 0 1 282.771 2.064 20 10 CECDMN CC[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1O ZINC000816503008 633402378 /nfs/dbraw/zinc/40/23/78/633402378.db2.gz ZUHLOVHSWGSNEN-HNNXBMFYSA-N 0 1 284.359 2.256 20 10 CECDMN COC[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549059 633409867 /nfs/dbraw/zinc/40/98/67/633409867.db2.gz BQSRJWKVKWXLCZ-MRXNPFEDSA-N 0 1 275.348 2.032 20 10 CECDMN C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549837 633411075 /nfs/dbraw/zinc/41/10/75/633411075.db2.gz ZTNRDGKXQUPSMW-LLVKDONJSA-N 0 1 293.388 2.068 20 10 CECDMN CC[N@@H+](CCOCCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000816600438 633420185 /nfs/dbraw/zinc/42/01/85/633420185.db2.gz XITFZFVLFPKCNG-UHFFFAOYSA-N 0 1 291.750 2.016 20 10 CECDMN C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000817414638 633653083 /nfs/dbraw/zinc/65/30/83/633653083.db2.gz MZNRWTMUEKUBEU-SKDRFNHKSA-N 0 1 255.745 2.391 20 10 CECDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000817414638 633653088 /nfs/dbraw/zinc/65/30/88/633653088.db2.gz MZNRWTMUEKUBEU-SKDRFNHKSA-N 0 1 255.745 2.391 20 10 CECDMN CCn1nc(C)c(CN[C@H](C)c2cc(C)ccc2O)n1 ZINC000818346010 633914001 /nfs/dbraw/zinc/91/40/01/633914001.db2.gz PUEFVOCLWBNGRY-LLVKDONJSA-N 0 1 274.368 2.471 20 10 CECDMN Cc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1O ZINC000818631912 633967606 /nfs/dbraw/zinc/96/76/06/633967606.db2.gz VPTCTSVPGQUPNU-ZWNOBZJWSA-N 0 1 263.337 2.386 20 10 CECDMN O=C([O-])N[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2F)C12CCC2 ZINC000904257907 635543322 /nfs/dbraw/zinc/54/33/22/635543322.db2.gz GDZNOUOWPVGALG-CHWSQXEVSA-N 0 1 294.326 2.200 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CC2(CO)CCOCC2)cc1Cl ZINC000825370330 635626287 /nfs/dbraw/zinc/62/62/87/635626287.db2.gz MCFAAZNEWZRMBZ-UHFFFAOYSA-N 0 1 299.798 2.233 20 10 CECDMN C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(Br)cc1O ZINC000825666419 635689098 /nfs/dbraw/zinc/68/90/98/635689098.db2.gz IUKKPVABAHZUOT-KWQFWETISA-N 0 1 286.169 2.110 20 10 CECDMN C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825666419 635689104 /nfs/dbraw/zinc/68/91/04/635689104.db2.gz IUKKPVABAHZUOT-KWQFWETISA-N 0 1 286.169 2.110 20 10 CECDMN C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825666419 635689109 /nfs/dbraw/zinc/68/91/09/635689109.db2.gz IUKKPVABAHZUOT-KWQFWETISA-N 0 1 286.169 2.110 20 10 CECDMN CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825753065 635707531 /nfs/dbraw/zinc/70/75/31/635707531.db2.gz NHMOGBXBEWXMGJ-HNNXBMFYSA-N 0 1 296.798 2.312 20 10 CECDMN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825753065 635707536 /nfs/dbraw/zinc/70/75/36/635707536.db2.gz NHMOGBXBEWXMGJ-HNNXBMFYSA-N 0 1 296.798 2.312 20 10 CECDMN Cc1cc([O-])c(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)cc1Cl ZINC000826096982 635760874 /nfs/dbraw/zinc/76/08/74/635760874.db2.gz KRSAEOYARMCVQM-RISCZKNCSA-N 0 1 299.798 2.326 20 10 CECDMN Cc1cc([O-])c(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)cc1Cl ZINC000826096982 635760883 /nfs/dbraw/zinc/76/08/83/635760883.db2.gz KRSAEOYARMCVQM-RISCZKNCSA-N 0 1 299.798 2.326 20 10 CECDMN COC[C@@H](CC[NH2+]Cc1cc(Cl)c(C)cc1[O-])OC ZINC000826838116 635857572 /nfs/dbraw/zinc/85/75/72/635857572.db2.gz DJOBZKMBBIVGDG-GFCCVEGCSA-N 0 1 287.787 2.495 20 10 CECDMN CO[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000826952974 636169348 /nfs/dbraw/zinc/16/93/48/636169348.db2.gz YFSDSDKQQZYGAH-HNNXBMFYSA-N 0 1 299.798 2.327 20 10 CECDMN CO[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000826952974 636169350 /nfs/dbraw/zinc/16/93/50/636169350.db2.gz YFSDSDKQQZYGAH-HNNXBMFYSA-N 0 1 299.798 2.327 20 10 CECDMN CN1CC(C[N@@H+](C)Cc2cccc(Br)c2[O-])C1 ZINC000827125838 636225877 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273.336 2.393 20 10 CECDMN C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Cl)ccc1[O-] ZINC000846192183 641217420 /nfs/dbraw/zinc/21/74/20/641217420.db2.gz FWZLZQPPULXMAJ-IINYFYTJSA-N 0 1 285.771 2.238 20 10 CECDMN Cn1nccc1CNCc1ccc2c(c1)CCCO2 ZINC000921524579 642190309 /nfs/dbraw/zinc/19/03/09/642190309.db2.gz GBCQJHFRLMMHDC-UHFFFAOYSA-N 0 1 257.337 2.035 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000850388676 642695340 /nfs/dbraw/zinc/69/53/40/642695340.db2.gz OSLIUMBXDBTBBS-CHWSQXEVSA-N 0 1 267.756 2.439 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000850388096 642695886 /nfs/dbraw/zinc/69/58/86/642695886.db2.gz HIQRAKPBNUAVCY-QWHCGFSZSA-N 0 1 267.756 2.439 20 10 CECDMN Cc1ccc(CNCc2nnc(C(C)(C)C)[nH]2)c(O)c1 ZINC000877583031 650800650 /nfs/dbraw/zinc/80/06/50/650800650.db2.gz KJXQDNTXEXIGSE-UHFFFAOYSA-N 0 1 274.368 2.406 20 10 CECDMN [O-]c1c(F)c(F)ccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000877597729 650807991 /nfs/dbraw/zinc/80/79/91/650807991.db2.gz WPXPBCBLKIAKPV-LLVKDONJSA-N 0 1 294.305 2.099 20 10 CECDMN CCOc1cccc(C[N@@H+](C)[C@@H](CC)C(=O)[O-])c1O ZINC000086803628 643423398 /nfs/dbraw/zinc/42/33/98/643423398.db2.gz KKYOUIRDTPXSTL-NSHDSACASA-N 0 1 267.325 2.086 20 10 CECDMN COC(=O)C1CC([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000877721534 650870275 /nfs/dbraw/zinc/87/02/75/650870275.db2.gz QOJMJVVESJHVGW-UHFFFAOYSA-N 0 1 269.728 2.087 20 10 CECDMN C[C@@]1(C2CC2)CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000853527632 643802777 /nfs/dbraw/zinc/80/27/77/643802777.db2.gz CBJSCLUFSSDXID-INIZCTEOSA-N 0 1 291.347 2.122 20 10 CECDMN C[C@@]12COC[C@H]1C[N@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000853566078 643814376 /nfs/dbraw/zinc/81/43/76/643814376.db2.gz LGQRRMNXTSTPQM-CXAGYDPISA-N 0 1 284.359 2.409 20 10 CECDMN C[C@@]12COC[C@H]1C[N@@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000853566078 643814384 /nfs/dbraw/zinc/81/43/84/643814384.db2.gz LGQRRMNXTSTPQM-CXAGYDPISA-N 0 1 284.359 2.409 20 10 CECDMN Cc1cc(C)c(O)c(CN2CCc3nccnc3C2)c1 ZINC000853605748 643831682 /nfs/dbraw/zinc/83/16/82/643831682.db2.gz HEYDUQZNTYQYAW-UHFFFAOYSA-N 0 1 269.348 2.357 20 10 CECDMN Cn1cc(CC[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000112017359 644015439 /nfs/dbraw/zinc/01/54/39/644015439.db2.gz DDXSAJNDMJTXOY-UHFFFAOYSA-N 0 1 265.744 2.111 20 10 CECDMN CCn1nncc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000838937024 644092347 /nfs/dbraw/zinc/09/23/47/644092347.db2.gz OXDIIPNGMXEFOQ-LBPRGKRZSA-N 0 1 273.384 2.215 20 10 CECDMN Cc1noc(C2C[NH+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000839131506 644168431 /nfs/dbraw/zinc/16/84/31/644168431.db2.gz UROYHYAVABAMGG-UHFFFAOYSA-N 0 1 297.717 2.476 20 10 CECDMN Cc1noc(C2CN(Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000839131506 644168433 /nfs/dbraw/zinc/16/84/33/644168433.db2.gz UROYHYAVABAMGG-UHFFFAOYSA-N 0 1 297.717 2.476 20 10 CECDMN CN(C)c1ccc(/C=C/CN2CCSC[C@@H]2CO)cc1 ZINC000877780538 650908371 /nfs/dbraw/zinc/90/83/71/650908371.db2.gz UGTVTIASDKDUKI-CWDCEQMOSA-N 0 1 292.448 2.176 20 10 CECDMN CN1CCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000113328578 644355775 /nfs/dbraw/zinc/35/57/75/644355775.db2.gz OLFBEKRTHOMSFO-SNVBAGLBSA-N 0 1 254.761 2.229 20 10 CECDMN CN(C)CCN(Cc1ccco1)C(=O)C1=CC(=O)CS1 ZINC000755870291 644573586 /nfs/dbraw/zinc/57/35/86/644573586.db2.gz BJADBPQMERBYRF-UHFFFAOYSA-N 0 1 294.376 2.251 20 10 CECDMN CC(C)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000756336968 644631345 /nfs/dbraw/zinc/63/13/45/644631345.db2.gz RDYVAXJRYFLESO-LLVKDONJSA-N 0 1 275.707 2.384 20 10 CECDMN C[C@H]([NH2+]C[C@H]1COCCO1)c1cc(Cl)ccc1[O-] ZINC000756434962 644648936 /nfs/dbraw/zinc/64/89/36/644648936.db2.gz RXLKDBZFEPZWGB-ONGXEEELSA-N 0 1 271.744 2.112 20 10 CECDMN C[C@@H]([NH3+])[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843058312 644784474 /nfs/dbraw/zinc/78/44/74/644784474.db2.gz RNUKOFMVILZBED-BDAKNGLRSA-N 0 1 299.758 2.123 20 10 CECDMN CN(Cc1ccccc1O)C(=O)c1nc[nH]c1C(F)(F)F ZINC000857466722 644908619 /nfs/dbraw/zinc/90/86/19/644908619.db2.gz DZJNMJSUFUODQW-UHFFFAOYSA-N 0 1 299.252 2.406 20 10 CECDMN Cc1ccc(O)c(CNCc2cc3n(n2)CCC3)c1 ZINC000858239662 645095764 /nfs/dbraw/zinc/09/57/64/645095764.db2.gz RTDMBCQFKFMRHO-UHFFFAOYSA-N 0 1 257.337 2.133 20 10 CECDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H](O)C1CC1 ZINC000809751577 645192297 /nfs/dbraw/zinc/19/22/97/645192297.db2.gz IWYNYNCIWMEFPN-CYBMUJFWSA-N 0 1 255.745 2.248 20 10 CECDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@@H](O)C1CC1 ZINC000809751577 645192300 /nfs/dbraw/zinc/19/23/00/645192300.db2.gz IWYNYNCIWMEFPN-CYBMUJFWSA-N 0 1 255.745 2.248 20 10 CECDMN C[N@H+](Cc1ccccc1O)C[C@@H](O)CC1(O)CCCCC1 ZINC000878242128 651043504 /nfs/dbraw/zinc/04/35/04/651043504.db2.gz NCIPLYGNQGRKDY-HNNXBMFYSA-N 0 1 293.407 2.270 20 10 CECDMN CCCCN1CC(=O)N[C@@H]1c1cc(Cl)cc(F)c1O ZINC000768273092 646103590 /nfs/dbraw/zinc/10/35/90/646103590.db2.gz HQKPTFDWBXMGAQ-ZDUSSCGKSA-N 0 1 286.734 2.415 20 10 CECDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769445071 646267419 /nfs/dbraw/zinc/26/74/19/646267419.db2.gz DHTDBLOBURARIG-SNVBAGLBSA-N 0 1 286.715 2.175 20 10 CECDMN Cc1cccc(CN(C)Cc2cc3c(cc2O)OCO3)n1 ZINC000769480356 646275998 /nfs/dbraw/zinc/27/59/98/646275998.db2.gz NFDNJBOEVSQYSF-UHFFFAOYSA-N 0 1 286.331 2.456 20 10 CECDMN C/C=C/C[C@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000769936076 646336795 /nfs/dbraw/zinc/33/67/95/646336795.db2.gz CYZGVMQQRURFFM-VMZHVLLKSA-N 0 1 255.745 2.462 20 10 CECDMN CN(C)c1cc(F)c(CN2CCC[C@H]2CCO)cc1F ZINC000862333811 646403579 /nfs/dbraw/zinc/40/35/79/646403579.db2.gz WEWDMEHLKWUJLQ-LBPRGKRZSA-N 0 1 284.350 2.378 20 10 CECDMN CCOc1ccc(CN2CCO[C@](C)(COC)C2)c(O)c1 ZINC000862552486 646497194 /nfs/dbraw/zinc/49/71/94/646497194.db2.gz ZZOSEYOJXMRTMS-INIZCTEOSA-N 0 1 295.379 2.028 20 10 CECDMN CC[C@@H]([NH2+]CC[C@@H](O)COC)c1cc(Cl)ccc1[O-] ZINC000775526556 646962800 /nfs/dbraw/zinc/96/28/00/646962800.db2.gz RXOAFLGXKSPJOM-DGCLKSJQSA-N 0 1 287.787 2.484 20 10 CECDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000775634046 646974085 /nfs/dbraw/zinc/97/40/85/646974085.db2.gz NZKFMDLVPZTAMB-VIFPVBQESA-N 0 1 273.735 2.389 20 10 CECDMN COc1ccc(O)c(CN(C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000777218564 647121470 /nfs/dbraw/zinc/12/14/70/647121470.db2.gz BLVDLSPYBDZNBS-LLVKDONJSA-N 0 1 294.395 2.136 20 10 CECDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1O ZINC000779199547 647295777 /nfs/dbraw/zinc/29/57/77/647295777.db2.gz DZALXAZLAWQBBJ-SKDRFNHKSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1O ZINC000779199547 647295778 /nfs/dbraw/zinc/29/57/78/647295778.db2.gz DZALXAZLAWQBBJ-SKDRFNHKSA-N 0 1 255.745 2.248 20 10 CECDMN CCN(Cc1cn(C)nn1)Cc1cccc(Cl)c1O ZINC000781931380 647573469 /nfs/dbraw/zinc/57/34/69/647573469.db2.gz UVVJHFGNCBHQHV-UHFFFAOYSA-N 0 1 280.759 2.196 20 10 CECDMN CC[N@H+](Cc1cn(C)nn1)Cc1cccc(Cl)c1[O-] ZINC000781931380 647573472 /nfs/dbraw/zinc/57/34/72/647573472.db2.gz UVVJHFGNCBHQHV-UHFFFAOYSA-N 0 1 280.759 2.196 20 10 CECDMN CC[N@@H+](Cc1cn(C)nn1)Cc1cccc(Cl)c1[O-] ZINC000781931380 647573473 /nfs/dbraw/zinc/57/34/73/647573473.db2.gz UVVJHFGNCBHQHV-UHFFFAOYSA-N 0 1 280.759 2.196 20 10 CECDMN CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000840826236 648402023 /nfs/dbraw/zinc/40/20/23/648402023.db2.gz IRLIDWRZDORRDB-YDEJPDAXSA-N 0 1 271.744 2.110 20 10 CECDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cccc(O)c1O ZINC000790925658 648461093 /nfs/dbraw/zinc/46/10/93/648461093.db2.gz ANMSLVMOOUVFAB-UHFFFAOYSA-N 0 1 296.286 2.135 20 10 CECDMN CCn1cnnc1CNCc1c(O)ccc(Cl)c1F ZINC000790948930 648462997 /nfs/dbraw/zinc/46/29/97/648462997.db2.gz JZJGHVUNGCPGAP-UHFFFAOYSA-N 0 1 284.722 2.086 20 10 CECDMN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792178047 648620124 /nfs/dbraw/zinc/62/01/24/648620124.db2.gz BMONHJFPXHJTOK-HTQZYQBOSA-N 0 1 259.708 2.140 20 10 CECDMN C[C@@H](NC(=O)CCc1cnc[nH]1)c1ccc(N(C)C)cc1 ZINC000793855638 648805972 /nfs/dbraw/zinc/80/59/72/648805972.db2.gz KXKDHYHAYLDWNB-GFCCVEGCSA-N 0 1 286.379 2.286 20 10 CECDMN Cc1cc(O)c(CN2CCCNC(=O)C2)cc1C(C)C ZINC000872825098 649496968 /nfs/dbraw/zinc/49/69/68/649496968.db2.gz HJDXLUFCQMSKGP-UHFFFAOYSA-N 0 1 276.380 2.146 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C)C[C@H]2CO)c1O ZINC000879146836 651251328 /nfs/dbraw/zinc/25/13/28/651251328.db2.gz OIWXJBRKJRIATK-YGRLFVJLSA-N 0 1 295.354 2.327 20 10 CECDMN CC(=O)c1cc(F)cc(CN2CC[C@@H](C)C[C@H]2CO)c1O ZINC000879146836 651251329 /nfs/dbraw/zinc/25/13/29/651251329.db2.gz OIWXJBRKJRIATK-YGRLFVJLSA-N 0 1 295.354 2.327 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C)C[C@H]2CO)c1[O-] ZINC000879146836 651251330 /nfs/dbraw/zinc/25/13/30/651251330.db2.gz OIWXJBRKJRIATK-YGRLFVJLSA-N 0 1 295.354 2.327 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C)C[C@H]2CO)c1[O-] ZINC000879146836 651251331 /nfs/dbraw/zinc/25/13/31/651251331.db2.gz OIWXJBRKJRIATK-YGRLFVJLSA-N 0 1 295.354 2.327 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](CO)C2CC2)c(Cl)c1 ZINC000883002823 652317185 /nfs/dbraw/zinc/31/71/85/652317185.db2.gz PMMKZXDZYQULGB-GFCCVEGCSA-N 0 1 255.745 2.215 20 10 CECDMN COC(=O)c1ccc(CNCc2ccccc2O)o1 ZINC000134672308 652868866 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285.771 2.328 20 10 CECDMN C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000273480130 373760096 /nfs/dbraw/zinc/76/00/96/373760096.db2.gz LWPRGSSUKXYJCD-ZUZCIYMTSA-N 0 1 299.798 2.484 20 10 CECDMN Cc1cccc(CN2CCOC[C@@H]2[C@H]2CCCC2=O)c1O ZINC000375472595 374660354 /nfs/dbraw/zinc/66/03/54/374660354.db2.gz WZIBSEGEINBOLY-HUUCEWRRSA-N 0 1 289.375 2.271 20 10 CECDMN COCC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000281587930 375388429 /nfs/dbraw/zinc/38/84/29/375388429.db2.gz LMJNZTBEWUDCCL-GXSJLCMTSA-N 0 1 273.760 2.094 20 10 CECDMN Cc1cnn(C)c1CN(C)Cc1ccc(N(C)C)cc1 ZINC000289152631 376388638 /nfs/dbraw/zinc/38/86/38/376388638.db2.gz QIVZABNHRWBYCK-UHFFFAOYSA-N 0 1 272.396 2.427 20 10 CECDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000294817464 378021433 /nfs/dbraw/zinc/02/14/33/378021433.db2.gz FTCVICPDDGTZBH-SECBINFHSA-N 0 1 259.708 2.141 20 10 CECDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC(C)(C)O ZINC000295363211 378122088 /nfs/dbraw/zinc/12/20/88/378122088.db2.gz NXCSTARLZCBWES-UHFFFAOYSA-N 0 1 261.724 2.387 20 10 CECDMN CCOc1ccc(O)c(CN2CCOC[C@@H]2C2CC2)c1 ZINC000093645781 394668240 /nfs/dbraw/zinc/66/82/40/394668240.db2.gz JYGGTGHEVBJLDQ-OAHLLOKOSA-N 0 1 277.364 2.402 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364446873 394904144 /nfs/dbraw/zinc/90/41/44/394904144.db2.gz KCBHMJHYHWLGJW-GFCCVEGCSA-N 0 1 253.729 2.002 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364446873 394904147 /nfs/dbraw/zinc/90/41/47/394904147.db2.gz KCBHMJHYHWLGJW-GFCCVEGCSA-N 0 1 253.729 2.002 20 10 CECDMN Cc1cc(CC(=O)NCc2c(O)ccc3c2CCCC3)[nH]n1 ZINC000150966784 394975527 /nfs/dbraw/zinc/97/55/27/394975527.db2.gz BWXRHEQMWORCJC-UHFFFAOYSA-N 0 1 299.374 2.161 20 10 CECDMN CC(C)C[C@@H](CO)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000290492728 395105816 /nfs/dbraw/zinc/10/58/16/395105816.db2.gz OQLLPCQIYRKKFM-LBPRGKRZSA-N 0 1 255.333 2.370 20 10 CECDMN Cc1ccc([C@H](C)NCc2nnc3n2CCCC3)c(O)c1 ZINC000183847789 395265833 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CECDMN COc1ccc(O)c([C@@H](C)NCc2cc3n(n2)CCC3)c1 ZINC000844313540 640673762 /nfs/dbraw/zinc/67/37/62/640673762.db2.gz TVDIJLLLRZFJIQ-LLVKDONJSA-N 0 1 287.363 2.394 20 10 CECDMN C[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(Cl)cc1[O-] ZINC000846206915 641221577 /nfs/dbraw/zinc/22/15/77/641221577.db2.gz VSKBRBYDWIONNT-SNVBAGLBSA-N 0 1 282.771 2.319 20 10 CECDMN NC(=O)c1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921501341 642032521 /nfs/dbraw/zinc/03/25/21/642032521.db2.gz KIRFSSDZRWJPKX-UHFFFAOYSA-N 0 1 296.370 2.400 20 10 CECDMN CCc1cccc(CN2CCOC[C@@H]2CCOC)c1O ZINC000848913071 642187792 /nfs/dbraw/zinc/18/77/92/642187792.db2.gz NOUWKEJMJQMVQD-HNNXBMFYSA-N 0 1 279.380 2.192 20 10 CECDMN CCC[C@@]1(C)C(=O)NCCN1Cc1ccc(C)cc1O ZINC000877461728 650729925 /nfs/dbraw/zinc/72/99/25/650729925.db2.gz GGBKCKRUCNNDPT-INIZCTEOSA-N 0 1 276.380 2.191 20 10 CECDMN COC(=O)N(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000850547400 642748756 /nfs/dbraw/zinc/74/87/56/642748756.db2.gz FRSVFFROXBSBIN-VIFPVBQESA-N 0 1 286.759 2.394 20 10 CECDMN CC[C@@H](C)[N@@H+](CCO)Cc1ccc(F)c(F)c1[O-] ZINC000877573355 650795925 /nfs/dbraw/zinc/79/59/25/650795925.db2.gz OYDXLRWBGDUCCK-SECBINFHSA-N 0 1 259.296 2.263 20 10 CECDMN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877591773 650803897 /nfs/dbraw/zinc/80/38/97/650803897.db2.gz IIGOIQVDUPMWBW-HNNXBMFYSA-N 0 1 299.317 2.446 20 10 CECDMN C[C@@H](O)C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000877621856 650817771 /nfs/dbraw/zinc/81/77/71/650817771.db2.gz XSXKGIAGSMJQIC-MRVPVSSYSA-N 0 1 257.280 2.016 20 10 CECDMN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CNC(=O)C1 ZINC000852019099 643267872 /nfs/dbraw/zinc/26/78/72/643267872.db2.gz UQCAPUNSJDOBLW-CYBMUJFWSA-N 0 1 276.380 2.130 20 10 CECDMN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CNC(=O)C1 ZINC000852019099 643267877 /nfs/dbraw/zinc/26/78/77/643267877.db2.gz UQCAPUNSJDOBLW-CYBMUJFWSA-N 0 1 276.380 2.130 20 10 CECDMN COc1cc(CNCc2cc(Cl)ccc2O)on1 ZINC000877635604 650826481 /nfs/dbraw/zinc/82/64/81/650826481.db2.gz YHJVUMMJZQAKJV-UHFFFAOYSA-N 0 1 268.700 2.332 20 10 CECDMN Oc1cncc(CNCc2ccc3c(c2)CCO3)c1 ZINC000922977753 643493168 /nfs/dbraw/zinc/49/31/68/643493168.db2.gz ZMNJWYKZHFVWMB-UHFFFAOYSA-N 0 1 256.305 2.012 20 10 CECDMN CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H](C)C(=O)[O-] ZINC000923253484 643619118 /nfs/dbraw/zinc/61/91/18/643619118.db2.gz KXPPCNWMXZRFLW-LBPRGKRZSA-N 0 1 264.369 2.356 20 10 CECDMN CNC(=O)CN(Cc1ccccc1)Cc1ccc(C)cc1O ZINC000877773062 650905144 /nfs/dbraw/zinc/90/51/44/650905144.db2.gz ZMRFVWZHVJWNTB-UHFFFAOYSA-N 0 1 298.386 2.449 20 10 CECDMN CN(C)c1ccc(/C=C\CN2CCSC[C@H]2CO)cc1 ZINC000877780539 650908170 /nfs/dbraw/zinc/90/81/70/650908170.db2.gz UGTVTIASDKDUKI-MJSXRHKHSA-N 0 1 292.448 2.176 20 10 CECDMN CCCN(CC(=O)N(C)C)Cc1cc(C)cc(OC)c1O ZINC000754723815 644420318 /nfs/dbraw/zinc/42/03/18/644420318.db2.gz VYFXCYXYMUZMPA-UHFFFAOYSA-N 0 1 294.395 2.009 20 10 CECDMN CCOC(=O)[C@H](C)C1CN(Cc2ccc(N(C)C)cc2)C1 ZINC000877828250 650923712 /nfs/dbraw/zinc/92/37/12/650923712.db2.gz CJMLHPAUCFCCQT-CYBMUJFWSA-N 0 1 290.407 2.384 20 10 CECDMN COc1ccc(O)c([C@@H](C)NCc2cc(C)ncn2)c1 ZINC000756774256 644691069 /nfs/dbraw/zinc/69/10/69/644691069.db2.gz BLDZPYCPYYKOFU-LLVKDONJSA-N 0 1 273.336 2.350 20 10 CECDMN C[C@H](NCc1ccnc(N(C)C)n1)c1cc(F)ccc1O ZINC000756790726 644692134 /nfs/dbraw/zinc/69/21/34/644692134.db2.gz OSBGZFWRMRILSB-JTQLQIEISA-N 0 1 290.342 2.238 20 10 CECDMN CC[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000858553244 645199838 /nfs/dbraw/zinc/19/98/38/645199838.db2.gz MPBZTLMDGSDELD-OUCADQQQSA-N 0 1 285.771 2.236 20 10 CECDMN CC(C)c1nc([C@@H](C)NC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000763224864 645518855 /nfs/dbraw/zinc/51/88/55/645518855.db2.gz WMJIZKWYOQLPRH-SSDOTTSWSA-N 0 1 280.353 2.186 20 10 CECDMN CC(C)[C@@H](C)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439329 646122807 /nfs/dbraw/zinc/12/28/07/646122807.db2.gz KITJRTKQHZJKIA-QMTHXVAHSA-N 0 1 265.353 2.294 20 10 CECDMN CC(C)[C@@H](C)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439329 646122811 /nfs/dbraw/zinc/12/28/11/646122811.db2.gz KITJRTKQHZJKIA-QMTHXVAHSA-N 0 1 265.353 2.294 20 10 CECDMN C[C@H]([N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C1(C)CC1 ZINC000768463645 646126663 /nfs/dbraw/zinc/12/66/63/646126663.db2.gz KWTAFDQCZGECTJ-IINYFYTJSA-N 0 1 277.364 2.438 20 10 CECDMN C[C@H]([N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C1(C)CC1 ZINC000768463645 646126667 /nfs/dbraw/zinc/12/66/67/646126667.db2.gz KWTAFDQCZGECTJ-IINYFYTJSA-N 0 1 277.364 2.438 20 10 CECDMN CCN(Cc1cc(F)c(N(C)C)cc1F)[C@@H](C)CO ZINC000862378129 646425574 /nfs/dbraw/zinc/42/55/74/646425574.db2.gz PGZZRBQOLZGGAS-JTQLQIEISA-N 0 1 272.339 2.234 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000770752355 646434071 /nfs/dbraw/zinc/43/40/71/646434071.db2.gz NMLUBMIOKFMOPD-IAQYHMDHSA-N 0 1 297.782 2.473 20 10 CECDMN C[C@H]1C[C@H](CO)CN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862396069 646437152 /nfs/dbraw/zinc/43/71/52/646437152.db2.gz GQIXRLRNOBHFNX-RYUDHWBXSA-N 0 1 298.377 2.481 20 10 CECDMN Oc1cc2c(cc1CN1CCO[C@@H](CCF)C1)CCC2 ZINC000863316960 646702932 /nfs/dbraw/zinc/70/29/32/646702932.db2.gz URAHNHNVPFMJIE-HNNXBMFYSA-N 0 1 279.355 2.441 20 10 CECDMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1O ZINC000863526038 646747293 /nfs/dbraw/zinc/74/72/93/646747293.db2.gz JMWZSGGTDIHCTL-LBPRGKRZSA-N 0 1 251.326 2.323 20 10 CECDMN CCN(C)c1ccc(CN(C)[C@@H](C)C[S@@](C)=O)cc1 ZINC000773839842 646779705 /nfs/dbraw/zinc/77/97/05/646779705.db2.gz OATVSKHYQQVQAI-ORAYPTAESA-N 0 1 282.453 2.342 20 10 CECDMN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(OC)c(OC)cc1O ZINC000775642836 646975291 /nfs/dbraw/zinc/97/52/91/646975291.db2.gz PCYLUEANKFRXMR-WCQYABFASA-N 0 1 295.379 2.409 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000778187131 647207079 /nfs/dbraw/zinc/20/70/79/647207079.db2.gz ILVIYKZSKXWTDL-LBPRGKRZSA-N 0 1 277.755 2.347 20 10 CECDMN CC[C@]1(C)CN(Cc2c(O)cccc2OC)CCO1 ZINC000785984556 647975588 /nfs/dbraw/zinc/97/55/88/647975588.db2.gz LLFXIMUEDWFFKJ-OAHLLOKOSA-N 0 1 265.353 2.402 20 10 CECDMN COC(=O)[C@H](NCc1cc(Cl)cc(F)c1O)C1CC1 ZINC000789573510 648318200 /nfs/dbraw/zinc/31/82/00/648318200.db2.gz KJRZQSUELWQKQL-LLVKDONJSA-N 0 1 287.718 2.226 20 10 CECDMN C[C@H](NCc1c(O)ccc(Cl)c1F)c1ncn(C)n1 ZINC000790992489 648470177 /nfs/dbraw/zinc/47/01/77/648470177.db2.gz LPLLVGVOAGYHNB-ZETCQYMHSA-N 0 1 284.722 2.164 20 10 CECDMN Fc1cc(CNCC2(F)CC2)ccc1N1CCOCC1 ZINC000792919242 648687724 /nfs/dbraw/zinc/68/77/24/648687724.db2.gz CLMMPUVLEIDARB-UHFFFAOYSA-N 0 1 282.334 2.254 20 10 CECDMN CCN(CC)c1ccc(CNC(=O)CN2CCCC2)cc1 ZINC000874085337 649745843 /nfs/dbraw/zinc/74/58/43/649745843.db2.gz ZKNCHPPLQDNBKO-UHFFFAOYSA-N 0 1 289.423 2.245 20 10 CECDMN CC1(C)[C@H]([NH2+]Cc2c([O-])cccc2Cl)C[C@@H]1O ZINC000128335878 651420523 /nfs/dbraw/zinc/42/05/23/651420523.db2.gz NCNRIPJIRZTOBQ-NEPJUHHUSA-N 0 1 255.745 2.295 20 10 CECDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ncn1 ZINC000882880002 652246468 /nfs/dbraw/zinc/24/64/68/652246468.db2.gz XMFMDHZVMFUJPC-UHFFFAOYSA-N 0 1 297.406 2.149 20 10 CECDMN CC[C@@H]1COCCN1Cc1cc(OC)ccc1O ZINC000132339030 652514153 /nfs/dbraw/zinc/51/41/53/652514153.db2.gz OPWVHBODHUKJOO-GFCCVEGCSA-N 0 1 251.326 2.012 20 10 CECDMN CC[N@@H+](CC(=O)NC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132611992 652538914 /nfs/dbraw/zinc/53/89/14/652538914.db2.gz PMEHWZOPGFVVCY-UHFFFAOYSA-N 0 1 291.178 2.267 20 10 CECDMN C[C@@H]1CCc2n[nH]c(C(=O)NCCc3ccc(N)cc3)c2C1 ZINC000884028277 652640199 /nfs/dbraw/zinc/64/01/99/652640199.db2.gz BYJNNBMJRXAPKV-LLVKDONJSA-N 0 1 298.390 2.089 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001140461957 802936211 /nfs/dbraw/zinc/93/62/11/802936211.db2.gz ZZURHMBQJYTWMF-SNVBAGLBSA-N 0 1 291.725 2.495 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001140461957 802936213 /nfs/dbraw/zinc/93/62/13/802936213.db2.gz ZZURHMBQJYTWMF-SNVBAGLBSA-N 0 1 291.725 2.495 20 10 CECDMN OC[C@H]1CN(Cc2ccc(Cl)cc2O)CCC1(F)F ZINC001140461957 802936217 /nfs/dbraw/zinc/93/62/17/802936217.db2.gz ZZURHMBQJYTWMF-SNVBAGLBSA-N 0 1 291.725 2.495 20 10 CECDMN C[N@H+]1CC[C@@]2(CCN(Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139686223 804459772 /nfs/dbraw/zinc/45/97/72/804459772.db2.gz QLGUTWLKKWQSTA-OAHLLOKOSA-N 0 1 282.334 2.198 20 10 CECDMN Cc1cc(C[NH2+]Cc2ccc(Br)cc2[O-])[nH]n1 ZINC000716457918 815125729 /nfs/dbraw/zinc/12/57/29/815125729.db2.gz DSMYEKRECSDHJT-UHFFFAOYSA-N 0 1 296.168 2.476 20 10 CECDMN [O-]c1cc(Cl)c(Cl)cc1CN1CC[NH2+][C@@H]2C[C@@H]21 ZINC001235289875 807809294 /nfs/dbraw/zinc/80/92/94/807809294.db2.gz JTXSAJRSGBLKBC-MNOVXSKESA-N 0 1 273.163 2.245 20 10 CECDMN O=C([O-])[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000701548583 809442509 /nfs/dbraw/zinc/44/25/09/809442509.db2.gz JBADHVNPCHHDQZ-DOMZBBRYSA-N 0 1 261.321 2.079 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)c1[O-] ZINC000703857632 809697828 /nfs/dbraw/zinc/69/78/28/809697828.db2.gz KOHHJGSKWVCMID-GSJFWJNXSA-N 0 1 297.782 2.451 20 10 CECDMN C[C@H]1COC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000706805240 809854528 /nfs/dbraw/zinc/85/45/28/809854528.db2.gz TXSTZJIDCJATPI-GZMMTYOYSA-N 0 1 286.169 2.279 20 10 CECDMN CCC[C@H](O)C[NH2+]Cc1c([O-])cccc1Br ZINC000706875337 809859552 /nfs/dbraw/zinc/85/95/52/809859552.db2.gz VKFPIMKIACOROG-VIFPVBQESA-N 0 1 288.185 2.405 20 10 CECDMN Oc1c(F)cc(F)cc1CN1CCO[C@H](C(F)(F)F)C1 ZINC000708382786 809928881 /nfs/dbraw/zinc/92/88/81/809928881.db2.gz HWPDMBQHVHQTSU-JTQLQIEISA-N 0 1 297.223 2.434 20 10 CECDMN Oc1c(F)cc(F)cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000708415618 809929620 /nfs/dbraw/zinc/92/96/20/809929620.db2.gz ZUKXRRXPQWTVTH-PHIMTYICSA-N 0 1 255.264 2.034 20 10 CECDMN CN1CCC[C@H](C[N@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC000708412588 809929854 /nfs/dbraw/zinc/92/98/54/809929854.db2.gz JPJSXFCWGOCLDL-NSHDSACASA-N 0 1 284.350 2.444 20 10 CECDMN CN1CCC[C@H](C[N@@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC000708412588 809929857 /nfs/dbraw/zinc/92/98/57/809929857.db2.gz JPJSXFCWGOCLDL-NSHDSACASA-N 0 1 284.350 2.444 20 10 CECDMN C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691455880 811861219 /nfs/dbraw/zinc/86/12/19/811861219.db2.gz RTDQSOCOTUHEFF-IUCAKERBSA-N 0 1 288.185 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[O-]c1c(C[N@H+]2CCN3CCOC[C@H]3C2)ccc2ccccc21 ZINC000816568248 633414285 /nfs/dbraw/zinc/41/42/85/633414285.db2.gz BCPIGCHYYPEGCL-MRXNPFEDSA-N 0 1 298.386 2.062 20 10 CECDMN Cc1nonc1CNCc1cc(Cl)c(F)cc1O ZINC000816611290 633421644 /nfs/dbraw/zinc/42/16/44/633421644.db2.gz MAUVCZWIDTZXJI-UHFFFAOYSA-N 0 1 271.679 2.166 20 10 CECDMN C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1[O-] ZINC000817981657 633824967 /nfs/dbraw/zinc/82/49/67/633824967.db2.gz UKWGFOPJXKPFFE-UFBFGSQYSA-N 0 1 274.286 2.179 20 10 CECDMN C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)[C@H]1C(=O)[O-] ZINC000818631658 633967632 /nfs/dbraw/zinc/96/76/32/633967632.db2.gz MHQDYYGGBCFASS-NOZJJQNGSA-N 0 1 267.300 2.216 20 10 CECDMN C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccc(N(C)C)cc1 ZINC000822082566 634846565 /nfs/dbraw/zinc/84/65/65/634846565.db2.gz NINBCXOPPYXIIK-NILFDRSVSA-N 0 1 298.390 2.457 20 10 CECDMN CC(C)[C@H](N[C@@H]1CCc2cccc(O)c21)c1nncn1C ZINC000903066480 634952728 /nfs/dbraw/zinc/95/27/28/634952728.db2.gz 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CC[S@](=O)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840897388 639576950 /nfs/dbraw/zinc/57/69/50/639576950.db2.gz OTSZXMSFCAFDDW-KRWDZBQOSA-N 0 1 275.801 2.212 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000840899571 639577888 /nfs/dbraw/zinc/57/78/88/639577888.db2.gz LXMGLPKTNCXPCF-MNOVXSKESA-N 0 1 296.798 2.488 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CC2([S@@](C)=O)CC2)c(Cl)c1 ZINC000840942417 639595241 /nfs/dbraw/zinc/59/52/41/639595241.db2.gz LNCDRDLEBVZSMB-GOSISDBHSA-N 0 1 287.812 2.355 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(Cl)c1 ZINC000840951036 639598623 /nfs/dbraw/zinc/59/86/23/639598623.db2.gz XQOKJAANKQNLFY-IAZYJMLFSA-N 0 1 267.756 2.024 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(Cl)c1 ZINC000840951036 639598627 /nfs/dbraw/zinc/59/86/27/639598627.db2.gz XQOKJAANKQNLFY-IAZYJMLFSA-N 0 1 267.756 2.024 20 10 CECDMN Oc1ccc(Cl)c(F)c1CN1CCO[C@H](CF)C1 ZINC000840953952 639598892 /nfs/dbraw/zinc/59/88/92/639598892.db2.gz DLHFUNMCUZAFAI-MRVPVSSYSA-N 0 1 277.698 2.355 20 10 CECDMN CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000840959067 639601232 /nfs/dbraw/zinc/60/12/32/639601232.db2.gz XRVIVLJLQWISCG-OAHLLOKOSA-N 0 1 298.386 2.456 20 10 CECDMN CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000840959067 639601236 /nfs/dbraw/zinc/60/12/36/639601236.db2.gz XRVIVLJLQWISCG-OAHLLOKOSA-N 0 1 298.386 2.456 20 10 CECDMN Cn1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)n1 ZINC000230881785 639797692 /nfs/dbraw/zinc/79/76/92/639797692.db2.gz LQFKKAAEBBCZBG-UHFFFAOYSA-N 0 1 265.744 2.111 20 10 CECDMN C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(Cl)cc1[O-] ZINC000841751416 639858136 /nfs/dbraw/zinc/85/81/36/639858136.db2.gz MRYLUJONJBOXGO-SECBINFHSA-N 0 1 271.744 2.459 20 10 CECDMN C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(Cl)cc1[O-] ZINC000841752544 639858362 /nfs/dbraw/zinc/85/83/62/639858362.db2.gz UFNJJZXDNOUCPB-DTWKUNHWSA-N 0 1 291.800 2.129 20 10 CECDMN COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841762709 639859465 /nfs/dbraw/zinc/85/94/65/639859465.db2.gz JSMFFSQWGMNZGK-ZANVPECISA-N 0 1 273.760 2.094 20 10 CECDMN CCN1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1=O ZINC000841759301 639859623 /nfs/dbraw/zinc/85/96/23/639859623.db2.gz YJLZNTKSSOBCTI-ONGXEEELSA-N 0 1 282.771 2.317 20 10 CECDMN C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1cc(F)ccc1[O-] ZINC000842921384 640221383 /nfs/dbraw/zinc/22/13/83/640221383.db2.gz YFXCRDQDKKZVBN-MEDUHNTESA-N 0 1 297.370 2.360 20 10 CECDMN C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cc(F)ccc1[O-] ZINC000842921383 640221484 /nfs/dbraw/zinc/22/14/84/640221484.db2.gz YFXCRDQDKKZVBN-BZNIZROVSA-N 0 1 297.370 2.360 20 10 CECDMN Cc1cc(C)c(O)c(CN2CCN(C(=O)C3CC3)CC2)c1 ZINC000915840392 640633609 /nfs/dbraw/zinc/63/36/09/640633609.db2.gz WTUIUSAGDOTZTA-UHFFFAOYSA-N 0 1 288.391 2.063 20 10 CECDMN C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877170378 650608386 /nfs/dbraw/zinc/60/83/86/650608386.db2.gz MWEOGGNOMOKPJO-UWVGGRQHSA-N 0 1 271.307 2.263 20 10 CECDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000844938472 640872029 /nfs/dbraw/zinc/87/20/29/640872029.db2.gz UTUHDLOWLXDEQV-LBPRGKRZSA-N 0 1 251.326 2.304 20 10 CECDMN CCOc1ccc(O)c(C[N@@H+](CC(=O)[O-])C2CCC2)c1 ZINC000848640574 642086122 /nfs/dbraw/zinc/08/61/22/642086122.db2.gz SDBLRPCPAYCOCS-UHFFFAOYSA-N 0 1 279.336 2.230 20 10 CECDMN CCOc1ccc(C[N@H+]2CCC[C@@H](OC)C2)c(O)c1 ZINC000768754143 642107506 /nfs/dbraw/zinc/10/75/06/642107506.db2.gz PXJDYGKARSEELL-CQSZACIVSA-N 0 1 265.353 2.402 20 10 CECDMN CCOCCCNC(=[NH2+])NCc1cc(Cl)ccc1[O-] ZINC000849049153 642257200 /nfs/dbraw/zinc/25/72/00/642257200.db2.gz NZPDFEUCYCJCEE-UHFFFAOYSA-N 0 1 285.775 2.086 20 10 CECDMN COc1ccc(CNCc2cnn(CCF)c2)cc1C ZINC000921652031 642399769 /nfs/dbraw/zinc/39/97/69/642399769.db2.gz OOHZSTRIFYQUGC-UHFFFAOYSA-N 0 1 277.343 2.459 20 10 CECDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC(C)(C)CO ZINC000877562441 650790600 /nfs/dbraw/zinc/79/06/00/650790600.db2.gz ZZNLPJRMSSJFMK-UHFFFAOYSA-N 0 1 259.296 2.121 20 10 CECDMN Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)ccc1N(C)C ZINC000923248089 643620546 /nfs/dbraw/zinc/62/05/46/643620546.db2.gz KRZCEOKTGBMOFQ-TZMCWYRMSA-N 0 1 276.380 2.214 20 10 CECDMN CCOC(=O)c1cc(CNCc2cccc(C)c2O)on1 ZINC000877711693 650865832 /nfs/dbraw/zinc/86/58/32/650865832.db2.gz VPOODZAMXJHWSU-UHFFFAOYSA-N 0 1 290.319 2.155 20 10 CECDMN C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(Cl)ccc1[O-] ZINC000756510454 644657117 /nfs/dbraw/zinc/65/71/17/644657117.db2.gz IJYAJHXYSVULSO-GXFFZTMASA-N 0 1 299.798 2.484 20 10 CECDMN C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@@H]1[NH3+] ZINC000843052029 644758826 /nfs/dbraw/zinc/75/88/26/644758826.db2.gz OROTUMJYBITVGJ-SKDRFNHKSA-N 0 1 254.761 2.215 20 10 CECDMN C[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1CO ZINC000857061648 644806772 /nfs/dbraw/zinc/80/67/72/644806772.db2.gz SVEUIABNSKDXOG-QWRGUYRKSA-N 0 1 269.772 2.496 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1CO ZINC000857061648 644806778 /nfs/dbraw/zinc/80/67/78/644806778.db2.gz 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CC[C@H]([NH2+][C@H](CO)CCOC)c1cc(Cl)ccc1[O-] ZINC000798941194 630955766 /nfs/dbraw/zinc/95/57/66/630955766.db2.gz WNIJPNBLCDFFNU-AAEUAGOBSA-N 0 1 287.787 2.484 20 10 CECDMN CCN1CCCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928711134 631130467 /nfs/dbraw/zinc/13/04/67/631130467.db2.gz FDLPYEDBLPGXNE-CYBMUJFWSA-N 0 1 280.343 2.022 20 10 CECDMN CCCC[N@@H+](Cc1n[nH]c(=O)[n-]1)Cc1ccccc1O ZINC000801596178 631296430 /nfs/dbraw/zinc/29/64/30/631296430.db2.gz RNFIOUVXCPBMKZ-UHFFFAOYSA-N 0 1 276.340 2.018 20 10 CECDMN OC[C@@]1(F)CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000802660520 631442525 /nfs/dbraw/zinc/44/25/25/631442525.db2.gz OBHPGXNNDKKSSR-GFCCVEGCSA-N 0 1 277.698 2.091 20 10 CECDMN CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(=O)NC ZINC000841752827 631725549 /nfs/dbraw/zinc/72/55/49/631725549.db2.gz CKUQRUOGYQXCFD-GZMMTYOYSA-N 0 1 270.760 2.221 20 10 CECDMN C[C@@]1(F)CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000840097554 631846620 /nfs/dbraw/zinc/84/66/20/631846620.db2.gz BVJSISQJQVXCLZ-UKRRQHHQSA-N 0 1 281.327 2.142 20 10 CECDMN Cc1noc(C2(NCc3cc(F)cc(F)c3O)CC2)n1 ZINC000897896562 631966717 /nfs/dbraw/zinc/96/67/17/631966717.db2.gz YPUNRWBVHKOAOT-UHFFFAOYSA-N 0 1 281.262 2.141 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898202793 632083681 /nfs/dbraw/zinc/08/36/81/632083681.db2.gz NACGFYRRXZCORC-GFCCVEGCSA-N 0 1 255.745 2.296 20 10 CECDMN CC(C)(C)N1CC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000899173300 632727896 /nfs/dbraw/zinc/72/78/96/632727896.db2.gz LZQVVFMFQZTKPN-CYBMUJFWSA-N 0 1 274.364 2.107 20 10 CECDMN C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2cccc(Cl)c2[O-])C1 ZINC000814172932 632797756 /nfs/dbraw/zinc/79/77/56/632797756.db2.gz DGZFOBPURPOYIF-GWCFXTLKSA-N 0 1 266.772 2.182 20 10 CECDMN CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2cccc(Cl)c2[O-])C1 ZINC000814172932 632797759 /nfs/dbraw/zinc/79/77/59/632797759.db2.gz DGZFOBPURPOYIF-GWCFXTLKSA-N 0 1 266.772 2.182 20 10 CECDMN CN1C[C@H]2[C@@H](CC[N@H+]2Cc2cccc(Cl)c2[O-])C1 ZINC000814172932 632797762 /nfs/dbraw/zinc/79/77/62/632797762.db2.gz DGZFOBPURPOYIF-GWCFXTLKSA-N 0 1 266.772 2.182 20 10 CECDMN CNC(=O)N1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816515973 633405554 /nfs/dbraw/zinc/40/55/54/633405554.db2.gz QNTZVIWOROKWEH-UHFFFAOYSA-N 0 1 299.374 2.002 20 10 CECDMN C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816549838 633411243 /nfs/dbraw/zinc/41/12/43/633411243.db2.gz ZTNRDGKXQUPSMW-NSHDSACASA-N 0 1 293.388 2.068 20 10 CECDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589426 633418384 /nfs/dbraw/zinc/41/83/84/633418384.db2.gz XZTQOGJHLMCUMH-APPZFPTMSA-N 0 1 259.708 2.140 20 10 CECDMN CC[N@H+](CCOCCO)Cc1ccc2ccccc2c1[O-] ZINC000816600049 633420644 /nfs/dbraw/zinc/42/06/44/633420644.db2.gz IYHKCLXBHOQMIA-UHFFFAOYSA-N 0 1 289.375 2.376 20 10 CECDMN CC[N@@H+](CCOCCO)Cc1ccc2ccccc2c1[O-] ZINC000816600049 633420650 /nfs/dbraw/zinc/42/06/50/633420650.db2.gz IYHKCLXBHOQMIA-UHFFFAOYSA-N 0 1 289.375 2.376 20 10 CECDMN CCN(C)c1ccc(CN2C[C@@H](CO)OC(C)(C)C2)cc1 ZINC000817279791 633617665 /nfs/dbraw/zinc/61/76/65/633617665.db2.gz UTZGPBZAFRBBNT-INIZCTEOSA-N 0 1 292.423 2.114 20 10 CECDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000817881617 633750851 /nfs/dbraw/zinc/75/08/51/633750851.db2.gz MFPGKOGRSYSQRM-AAEUAGOBSA-N 0 1 294.370 2.434 20 10 CECDMN C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000903261638 635034187 /nfs/dbraw/zinc/03/41/87/635034187.db2.gz ZOODGXMJLRRNSB-SILCLGDVSA-N 0 1 282.771 2.350 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CN2CCOCC2)cc1Cl ZINC000825114719 635572093 /nfs/dbraw/zinc/57/20/93/635572093.db2.gz VTDIRDHYFNKYMO-LBPRGKRZSA-N 0 1 298.814 2.164 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)COCC2CC2)cc1Cl ZINC000825197875 635590040 /nfs/dbraw/zinc/59/00/40/635590040.db2.gz WJGAGXNASPBRSG-ZDUSSCGKSA-N 0 1 299.798 2.231 20 10 CECDMN CCOc1ccc(CNCc2ncccc2OC)c(O)c1 ZINC000825249912 635599517 /nfs/dbraw/zinc/59/95/17/635599517.db2.gz QUMQFUMUWFOVRD-UHFFFAOYSA-N 0 1 288.347 2.484 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2C[C@H](O)C[C@@H]2C)cc1Cl ZINC000825666083 635689528 /nfs/dbraw/zinc/68/95/28/635689528.db2.gz GWCKXIWNWMVLBU-GXSJLCMTSA-N 0 1 255.745 2.309 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)C[C@@H]2C)cc1Cl ZINC000825666083 635689533 /nfs/dbraw/zinc/68/95/33/635689533.db2.gz GWCKXIWNWMVLBU-GXSJLCMTSA-N 0 1 255.745 2.309 20 10 CECDMN CCOC1CC(O)(C[NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825710468 635700337 /nfs/dbraw/zinc/70/03/37/635700337.db2.gz QHZVIOHNNQHRMV-UHFFFAOYSA-N 0 1 299.798 2.374 20 10 CECDMN CCc1cccc(CN[C@@H]2C[C@H](C)n3ncnc32)c1O ZINC000826889520 635873651 /nfs/dbraw/zinc/87/36/51/635873651.db2.gz WBSOIQGMPWFMJJ-GXFFZTMASA-N 0 1 272.352 2.342 20 10 CECDMN Oc1c(Cl)cccc1CN1CC[C@@H](O)C(F)(F)C1 ZINC000826958546 636173357 /nfs/dbraw/zinc/17/33/57/636173357.db2.gz RKJFEGRTOZFKOE-SNVBAGLBSA-N 0 1 277.698 2.248 20 10 CECDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCOC1 ZINC000125866515 650239833 /nfs/dbraw/zinc/23/98/33/650239833.db2.gz YOTBVSXOLDJLGW-SNVBAGLBSA-N 0 1 272.142 2.033 20 10 CECDMN COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000827812935 636431745 /nfs/dbraw/zinc/43/17/45/636431745.db2.gz ZYGBHIOZBCOEFU-HOMQSWHASA-N 0 1 283.755 2.395 20 10 CECDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C1(CO)CCC1 ZINC000827903476 636456520 /nfs/dbraw/zinc/45/65/20/636456520.db2.gz IDTWKWURRMFNHG-UHFFFAOYSA-N 0 1 255.745 2.392 20 10 CECDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C1(CO)CCC1 ZINC000827903476 636456525 /nfs/dbraw/zinc/45/65/25/636456525.db2.gz IDTWKWURRMFNHG-UHFFFAOYSA-N 0 1 255.745 2.392 20 10 CECDMN COC(=O)c1ccc(CN(C)Cc2ccccc2O)n1C ZINC000876615408 650360576 /nfs/dbraw/zinc/36/05/76/650360576.db2.gz DNPUQLQYSFWAHG-UHFFFAOYSA-N 0 1 288.347 2.149 20 10 CECDMN C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000834905889 637983438 /nfs/dbraw/zinc/98/34/38/637983438.db2.gz AFRZADDUQWHXMS-UXCLJVHYSA-N 0 1 292.354 2.323 20 10 CECDMN CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])C(=O)NC ZINC000834915757 637987455 /nfs/dbraw/zinc/98/74/55/637987455.db2.gz ZUUGIRIFOHQVRM-KCJUWKMLSA-N 0 1 270.760 2.221 20 10 CECDMN C[C@H](C[S@@](C)=O)N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835047268 638037861 /nfs/dbraw/zinc/03/78/61/638037861.db2.gz FBHKTHQIYNADRF-HSUXVVMDSA-N 0 1 294.464 2.465 20 10 CECDMN COc1cc(C)cc(CN2CCOC(C)(C)C2)c1O ZINC000164009917 639340642 /nfs/dbraw/zinc/34/06/42/639340642.db2.gz MALCTELDPMBQRI-UHFFFAOYSA-N 0 1 265.353 2.320 20 10 CECDMN CC[C@@H]1COCCN1Cc1cc(C)cc(OC)c1O ZINC000164358622 639365012 /nfs/dbraw/zinc/36/50/12/639365012.db2.gz ZKQAJCZCFYBNGB-CYBMUJFWSA-N 0 1 265.353 2.320 20 10 CECDMN CC[C@H]1COCCN1Cc1cc(C)cc(OC)c1O ZINC000164358750 639365237 /nfs/dbraw/zinc/36/52/37/639365237.db2.gz ZKQAJCZCFYBNGB-ZDUSSCGKSA-N 0 1 265.353 2.320 20 10 CECDMN CCCCN1CC(=O)N[C@H]1c1cc(Cl)c(F)cc1O ZINC000840805075 639546897 /nfs/dbraw/zinc/54/68/97/639546897.db2.gz LZQLAQRRDPIHGK-CYBMUJFWSA-N 0 1 286.734 2.415 20 10 CECDMN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CNC(=O)C2)c1[O-] ZINC000840837930 639558204 /nfs/dbraw/zinc/55/82/04/639558204.db2.gz MBLJAQHWMBQFHD-NXEZZACHSA-N 0 1 282.771 2.141 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000840907747 639580982 /nfs/dbraw/zinc/58/09/82/639580982.db2.gz IJFZXVAQNWVCSD-SNVBAGLBSA-N 0 1 282.771 2.051 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000840907747 639580986 /nfs/dbraw/zinc/58/09/86/639580986.db2.gz IJFZXVAQNWVCSD-SNVBAGLBSA-N 0 1 282.771 2.051 20 10 CECDMN C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000168829583 639586348 /nfs/dbraw/zinc/58/63/48/639586348.db2.gz AJWOOUTWBJPOIL-QWRGUYRKSA-N 0 1 272.348 2.460 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCc2cn(C)cn2)c(Cl)c1 ZINC000840952746 639599365 /nfs/dbraw/zinc/59/93/65/639599365.db2.gz IJLLTROMYJUJKE-UHFFFAOYSA-N 0 1 279.771 2.420 20 10 CECDMN COc1cccc(CN2CCO[C@H](C3CCC3)C2)c1O ZINC000840954960 639599962 /nfs/dbraw/zinc/59/99/62/639599962.db2.gz NZOKOJLONUXNRT-HNNXBMFYSA-N 0 1 277.364 2.402 20 10 CECDMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000840997672 639611570 /nfs/dbraw/zinc/61/15/70/639611570.db2.gz ZECMCVOUXFBBQZ-MRVPVSSYSA-N 0 1 287.718 2.481 20 10 CECDMN O=C([O-])[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000840997672 639611577 /nfs/dbraw/zinc/61/15/77/639611577.db2.gz ZECMCVOUXFBBQZ-MRVPVSSYSA-N 0 1 287.718 2.481 20 10 CECDMN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841763236 639860570 /nfs/dbraw/zinc/86/05/70/639860570.db2.gz LMLHXGIXEALYMC-IINYFYTJSA-N 0 1 287.787 2.484 20 10 CECDMN [O-]c1c(Cl)cccc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843127713 640294176 /nfs/dbraw/zinc/29/41/76/640294176.db2.gz SIYWXYIARAGREP-ZWNOBZJWSA-N 0 1 266.772 2.229 20 10 CECDMN Cn1cnc(CCC[NH2+]Cc2ccc3ccccc3c2[O-])n1 ZINC000843419849 640421751 /nfs/dbraw/zinc/42/17/51/640421751.db2.gz BYUNLGASNKUVPZ-UHFFFAOYSA-N 0 1 296.374 2.396 20 10 CECDMN Cc1[nH][nH]c(=O)c1Sc1ncc(C(C)(C)C)s1 ZINC000917218473 640864771 /nfs/dbraw/zinc/86/47/71/640864771.db2.gz UWMIAOOTASXKIP-MRVPVSSYSA-N 0 1 269.395 2.407 20 10 CECDMN CCOc1ccc(O)c(C[N@@H+](C)[C@@H](CC)C(=O)[O-])c1 ZINC000844939013 640871883 /nfs/dbraw/zinc/87/18/83/640871883.db2.gz YFJISEUIHWBOKV-LBPRGKRZSA-N 0 1 267.325 2.086 20 10 CECDMN O=C1CCCN1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000846087294 641176438 /nfs/dbraw/zinc/17/64/38/641176438.db2.gz QLIUSDAFQRIXDM-UHFFFAOYSA-N 0 1 284.359 2.257 20 10 CECDMN COc1cccc([C@@H](C)NCc2cc(C)ncn2)c1O ZINC000846157957 641207100 /nfs/dbraw/zinc/20/71/00/641207100.db2.gz QBANTBPXAGZACO-LLVKDONJSA-N 0 1 273.336 2.350 20 10 CECDMN CCn1ccc(CN[C@@H](C)c2cccc(OC)c2O)n1 ZINC000846169179 641210668 /nfs/dbraw/zinc/21/06/68/641210668.db2.gz PTZIYOZYMGULKC-NSHDSACASA-N 0 1 275.352 2.468 20 10 CECDMN CCN(C)c1ccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000846274002 641253044 /nfs/dbraw/zinc/25/30/44/641253044.db2.gz CDQMTZMZQUQROD-INIZCTEOSA-N 0 1 276.380 2.439 20 10 CECDMN C[C@H]1CN(Cc2ccc(F)c(F)c2O)C[C@H](C)S1=O ZINC000877473024 650737904 /nfs/dbraw/zinc/73/79/04/650737904.db2.gz GKJVKPBEXCKNAM-IUCAKERBSA-N 0 1 289.347 2.012 20 10 CECDMN CN(C)c1ccc(CNC(=O)c2[nH]nc3c2CCCC3)cc1 ZINC000057416237 642550617 /nfs/dbraw/zinc/55/06/17/642550617.db2.gz QGZRVRJHINGWLE-UHFFFAOYSA-N 0 1 298.390 2.285 20 10 CECDMN Cc1ccc(CNCc2nnc(C(C)C)[nH]2)c(O)c1 ZINC000877560657 650789316 /nfs/dbraw/zinc/78/93/16/650789316.db2.gz XLIVWMRUNDLKOL-UHFFFAOYSA-N 0 1 260.341 2.232 20 10 CECDMN Cc1ccc(CN2CC[S@](=O)C(C)(C)CC2)c(O)c1 ZINC000877569962 650794274 /nfs/dbraw/zinc/79/42/74/650794274.db2.gz BMXFMEZURFZFAY-IBGZPJMESA-N 0 1 281.421 2.434 20 10 CECDMN CN(C)c1ccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])cc1 ZINC000086790771 643421962 /nfs/dbraw/zinc/42/19/62/643421962.db2.gz ZPRZYEJCTYRDCB-AWEZNQCLSA-N 0 1 262.353 2.192 20 10 CECDMN CCOCCOCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000922940123 643461657 /nfs/dbraw/zinc/46/16/57/643461657.db2.gz AAMGSHOFUBNZCY-UHFFFAOYSA-N 0 1 273.760 2.188 20 10 CECDMN [O-]c1c(C[NH2+][C@H]2C[C@@H](CO)C2)ccc2ccccc21 ZINC000877666827 650841431 /nfs/dbraw/zinc/84/14/31/650841431.db2.gz IPGVHJOSPRYDQK-VDISTLRHSA-N 0 1 257.333 2.406 20 10 CECDMN Oc1ccccc1CNCc1nc2c(s1)COCC2 ZINC000922965587 643480535 /nfs/dbraw/zinc/48/05/35/643480535.db2.gz UKNUAFSOGMTNQO-UHFFFAOYSA-N 0 1 276.361 2.211 20 10 CECDMN CCOc1cccc(CN[C@H](C)c2ccn(C)n2)c1O ZINC000839189676 644185450 /nfs/dbraw/zinc/18/54/50/644185450.db2.gz BPFGVPZPWZFOTE-LLVKDONJSA-N 0 1 275.352 2.375 20 10 CECDMN C[C@H](NCc1ccc(S(C)(=O)=O)o1)c1ccccc1O ZINC000877758217 650900333 /nfs/dbraw/zinc/90/03/33/650900333.db2.gz NNXOVJDTXGLROJ-JTQLQIEISA-N 0 1 295.360 2.240 20 10 CECDMN C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Cl)ccc1[O-] ZINC000756544550 644662655 /nfs/dbraw/zinc/66/26/55/644662655.db2.gz KDTYWIQAEJZKIF-VXGBXAGGSA-N 0 1 298.814 2.417 20 10 CECDMN Cc1cc(C)c(O)c(CN2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000763312392 645532157 /nfs/dbraw/zinc/53/21/57/645532157.db2.gz ANLRUPYASUBCRK-AWEZNQCLSA-N 0 1 290.363 2.036 20 10 CECDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000878277300 651051410 /nfs/dbraw/zinc/05/14/10/651051410.db2.gz QXSUUOIVUJSTLY-BZNIZROVSA-N 0 1 299.374 2.440 20 10 CECDMN Cc1ccc(O)c(CN(C)CC(=O)NCc2ccco2)c1 ZINC000768195044 646095310 /nfs/dbraw/zinc/09/53/10/646095310.db2.gz JSTWXZZMJHSDOR-UHFFFAOYSA-N 0 1 288.347 2.042 20 10 CECDMN CC[C@H]1CN(Cc2c(O)cccc2OC)C[C@H](C)O1 ZINC000769104681 646205693 /nfs/dbraw/zinc/20/56/93/646205693.db2.gz JFXRILSZGVRNPA-RYUDHWBXSA-N 0 1 265.353 2.400 20 10 CECDMN C[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)[C@@H]1CO ZINC000862336873 646402841 /nfs/dbraw/zinc/40/28/41/646402841.db2.gz MXJLPVKBOOVBDL-ZUZCIYMTSA-N 0 1 284.350 2.234 20 10 CECDMN CC[C@]1(O)CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862334089 646403102 /nfs/dbraw/zinc/40/31/02/646403102.db2.gz YLSYKXCRGBZUNH-HNNXBMFYSA-N 0 1 284.350 2.378 20 10 CECDMN COC[C@H]1CCN1Cc1c(O)cccc1Br ZINC000862376111 646424426 /nfs/dbraw/zinc/42/44/26/646424426.db2.gz GPEVFZSDAIMRLV-SECBINFHSA-N 0 1 286.169 2.375 20 10 CECDMN Cc1cc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)[nH]n1 ZINC000773022625 646697290 /nfs/dbraw/zinc/69/72/90/646697290.db2.gz HSQPOHFFILSJDV-LBPRGKRZSA-N 0 1 286.379 2.204 20 10 CECDMN CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000863738843 646803389 /nfs/dbraw/zinc/80/33/89/646803389.db2.gz FOXKWBXGXHMLRY-SMDDNHRTSA-N 0 1 293.363 2.334 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1CO ZINC000864050936 646871262 /nfs/dbraw/zinc/87/12/62/646871262.db2.gz VYWDYEPVSZCLHG-KOLCDFICSA-N 0 1 271.307 2.121 20 10 CECDMN CC[C@H](NCc1nncn1C)c1cc(Cl)ccc1O ZINC000775491157 646960027 /nfs/dbraw/zinc/96/00/27/646960027.db2.gz AXSQGFYCAWTWKE-NSHDSACASA-N 0 1 280.759 2.415 20 10 CECDMN NC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1O ZINC000775643197 646975431 /nfs/dbraw/zinc/97/54/31/646975431.db2.gz OJYOCJPEUSTAEQ-NSHDSACASA-N 0 1 286.734 2.025 20 10 CECDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1CO ZINC000775647862 646976145 /nfs/dbraw/zinc/97/61/45/646976145.db2.gz FSFTXFSHWRUHJP-SNVBAGLBSA-N 0 1 259.708 2.141 20 10 CECDMN COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775656677 646977046 /nfs/dbraw/zinc/97/70/46/646977046.db2.gz 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Oc1ccc(F)cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371529024 373911583 /nfs/dbraw/zinc/91/15/83/373911583.db2.gz PPKACNFRBXHLQR-FVQBIDKESA-N 0 1 290.382 2.447 20 10 CECDMN COC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC000374674218 374625563 /nfs/dbraw/zinc/62/55/63/374625563.db2.gz AVPLRLHPNUBEOM-BLLLJJGKSA-N 0 1 293.338 2.306 20 10 CECDMN CN(C)c1ccc(CN2CCO[C@H](C3CC3)C2)cc1 ZINC000375331407 374652748 /nfs/dbraw/zinc/65/27/48/374652748.db2.gz KDKIWVZTEUBBPM-INIZCTEOSA-N 0 1 260.381 2.363 20 10 CECDMN C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cccc(Cl)c1[O-])CCO2 ZINC000279702520 374958436 /nfs/dbraw/zinc/95/84/36/374958436.db2.gz RITZWNCYFBFARK-XHDPSFHLSA-N 0 1 297.782 2.425 20 10 CECDMN Cc1cc(C[NH2+]Cc2c([O-])cccc2Cl)n(C)n1 ZINC000283921945 375781052 /nfs/dbraw/zinc/78/10/52/375781052.db2.gz LFBIYNUBXYGQHS-UHFFFAOYSA-N 0 1 265.744 2.377 20 10 CECDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(=O)[nH]n1 ZINC000286250988 375887548 /nfs/dbraw/zinc/88/75/48/375887548.db2.gz UJPWIQDUCREOCB-LBPRGKRZSA-N 0 1 298.390 2.003 20 10 CECDMN CCCCN(CC(N)=O)Cc1ccc(N(C)C)c(C)c1 ZINC000293640661 377672241 /nfs/dbraw/zinc/67/22/41/377672241.db2.gz XNMDHHMBLBPDRX-UHFFFAOYSA-N 0 1 277.412 2.148 20 10 CECDMN C[C@]1(F)CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000296115176 378421842 /nfs/dbraw/zinc/42/18/42/378421842.db2.gz SPXHYFNWWOBZSY-AWEZNQCLSA-N 0 1 267.300 2.445 20 10 CECDMN C[N@@H+](CC(=O)NCc1cccs1)Cc1ccccc1O ZINC000109769561 394735110 /nfs/dbraw/zinc/73/51/10/394735110.db2.gz NFKIWPIPJWNTEE-UHFFFAOYSA-N 0 1 290.388 2.202 20 10 CECDMN COc1ccc(O)c(CN2CCOCC2(C)C)c1 ZINC000133545679 394953618 /nfs/dbraw/zinc/95/36/18/394953618.db2.gz IRADVFIDGCXXIC-UHFFFAOYSA-N 0 1 251.326 2.012 20 10 CECDMN CN(C)c1ccc(CNC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000131728498 394916925 /nfs/dbraw/zinc/91/69/25/394916925.db2.gz FIONKFQKHDATQQ-AWEZNQCLSA-N 0 1 298.390 2.212 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)CO)c1[O-] ZINC000132098075 394924828 /nfs/dbraw/zinc/92/48/28/394924828.db2.gz 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XMTWLOVHPTYOGH-OAHLLOKOSA-N 0 1 287.411 2.368 20 10 CECDMN CCN(CC)c1ccc(CN2C[C@@H](F)C[C@H]2CO)cc1 ZINC000368882244 267210163 /nfs/dbraw/zinc/21/01/63/267210163.db2.gz MMDRLGSPXMSGOV-HOCLYGCPSA-N 0 1 280.387 2.438 20 10 CECDMN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000368974792 267215171 /nfs/dbraw/zinc/21/51/71/267215171.db2.gz PEHTXSIPDAVFJP-CDMKHQONSA-N 0 1 294.782 2.131 20 10 CECDMN CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000285303781 276259077 /nfs/dbraw/zinc/25/90/77/276259077.db2.gz VZRCNXPIRRHFLG-CYBMUJFWSA-N 0 1 294.370 2.412 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000377282301 329009680 /nfs/dbraw/zinc/00/96/80/329009680.db2.gz DCOCZZWZPKBOJI-LBPRGKRZSA-N 0 1 278.743 2.084 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000377282301 329009681 /nfs/dbraw/zinc/00/96/81/329009681.db2.gz DCOCZZWZPKBOJI-LBPRGKRZSA-N 0 1 278.743 2.084 20 10 CECDMN Cc1cc(O)c(CN2CCOC[C@H]2[C@H]2CCCO2)cc1C ZINC000377702057 329025612 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CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000280939611 519553283 /nfs/dbraw/zinc/55/32/83/519553283.db2.gz IRVILVLIDOQSGH-WCQYABFASA-N 0 1 294.370 2.440 20 10 CECDMN CC(=O)N1CCN(Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000292783819 519584967 /nfs/dbraw/zinc/58/49/67/519584967.db2.gz KYGPQMZBAKJNDA-AWEZNQCLSA-N 0 1 289.423 2.114 20 10 CECDMN CCN(C)C(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000299380902 520147046 /nfs/dbraw/zinc/14/70/46/520147046.db2.gz JDLDNGNRVIWZMQ-UHFFFAOYSA-N 0 1 291.439 2.441 20 10 CECDMN CCOc1cccc(CNCc2cccnc2OC)c1O ZINC000037650468 521366883 /nfs/dbraw/zinc/36/68/83/521366883.db2.gz UZMPEHHIWNZHGA-UHFFFAOYSA-N 0 1 288.347 2.484 20 10 CECDMN COc1c([O-])c(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)ccc1[N+](=O)[O-] ZINC000278207391 521874516 /nfs/dbraw/zinc/87/45/16/521874516.db2.gz JSIMOFRKTYIEDD-PHIMTYICSA-N 0 1 292.335 2.397 20 10 CECDMN COC(=O)[C@H]1C[C@@H](C)CCN1Cc1cc(C)ccc1O ZINC000274896521 523980493 /nfs/dbraw/zinc/98/04/93/523980493.db2.gz GAQCAXXALIPWGW-GXTWGEPZSA-N 0 1 277.364 2.474 20 10 CECDMN C[C@@]1(O)CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC000279585999 525882953 /nfs/dbraw/zinc/88/29/53/525882953.db2.gz CCMOMKOQURRMNW-CQSZACIVSA-N 0 1 253.317 2.268 20 10 CECDMN Cc1cc(N(C)C)ccc1CNCc1cnc(C)nc1 ZINC000734509609 574717773 /nfs/dbraw/zinc/71/77/73/574717773.db2.gz MHBHEPSUVUSTCV-UHFFFAOYSA-N 0 1 270.380 2.449 20 10 CECDMN Cc1cc(O)c(C[N@@H+](C)CCCNC(=O)[O-])cc1C ZINC000740089664 574941833 /nfs/dbraw/zinc/94/18/33/574941833.db2.gz ULCVYQVFOQTRLL-UHFFFAOYSA-N 0 1 266.341 2.099 20 10 CECDMN O=C(NCc1nc2ccc(F)cc2[nH]1)C1=CC(=O)CS1 ZINC000748377072 575185359 /nfs/dbraw/zinc/18/53/59/575185359.db2.gz UBEMQSMPXUCCDA-UHFFFAOYSA-N 0 1 291.307 2.399 20 10 CECDMN O=C(C1=CC(=O)CS1)N1CCC(c2cnc[nH]2)CC1 ZINC000751395658 575288174 /nfs/dbraw/zinc/28/81/74/575288174.db2.gz LWXWPQYFVSWFEP-UHFFFAOYSA-N 0 1 277.349 2.197 20 10 CECDMN O=C([O-])N[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000834189625 605500714 /nfs/dbraw/zinc/50/07/14/605500714.db2.gz NOWXOCGQJRBPAT-AWEZNQCLSA-N 0 1 290.363 2.113 20 10 CECDMN O=C([O-])NC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000834222026 605617569 /nfs/dbraw/zinc/61/75/69/605617569.db2.gz WREKEKJQWDMUBO-LLVKDONJSA-N 0 1 284.743 2.278 20 10 CECDMN O=C([O-])N[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000834188849 605991788 /nfs/dbraw/zinc/99/17/88/605991788.db2.gz DDKBRZATVUBWDN-SECBINFHSA-N 0 1 288.706 2.027 20 10 CECDMN C[C@H](CC[NH+](C)C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000892431674 625393181 /nfs/dbraw/zinc/39/31/81/625393181.db2.gz VXWHHVRGTXSYHF-SNVBAGLBSA-N 0 1 299.802 2.185 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]CCn1cccn1 ZINC000042538881 623200578 /nfs/dbraw/zinc/20/05/78/623200578.db2.gz CJOWJLHLWBIEQR-UHFFFAOYSA-N 0 1 251.717 2.032 20 10 CECDMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000775983111 628354158 /nfs/dbraw/zinc/35/41/58/628354158.db2.gz BCEMKENWEYEHSW-QWHCGFSZSA-N 0 1 279.403 2.416 20 10 CECDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@H](CF)C1 ZINC000840955600 628876738 /nfs/dbraw/zinc/87/67/38/628876738.db2.gz WRMSCUZNWNIUOS-SNVBAGLBSA-N 0 1 277.698 2.355 20 10 CECDMN CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000228931449 628923903 /nfs/dbraw/zinc/92/39/03/628923903.db2.gz LCFQJINNMZVEJG-SECBINFHSA-N 0 1 270.760 2.048 20 10 CECDMN COc1ccc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c(O)c1OC ZINC000893889127 629038555 /nfs/dbraw/zinc/03/85/55/629038555.db2.gz VBCPVHMIEOHHJK-QJPTWQEYSA-N 0 1 295.379 2.407 20 10 CECDMN Oc1c(F)cc(F)cc1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000894089066 629119584 /nfs/dbraw/zinc/11/95/84/629119584.db2.gz PRJFQPODGNGMCL-KBPBESRZSA-N 0 1 299.317 2.050 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252705657 629166510 /nfs/dbraw/zinc/16/65/10/629166510.db2.gz QXIYEIZITHKHAU-HAQNSBGRSA-N 0 1 255.745 2.439 20 10 CECDMN COc1cc(NS(=O)(=O)c2ccsc2)ccc1O ZINC000795363714 629528761 /nfs/dbraw/zinc/52/87/61/629528761.db2.gz YHHUEFVVSNDNQV-UHFFFAOYSA-N 0 1 285.346 2.263 20 10 CECDMN Cc1nc([C@H](C)NCc2ccc(N(C)C)cc2C)n[nH]1 ZINC000894779448 629635513 /nfs/dbraw/zinc/63/55/13/629635513.db2.gz YNXLEWIGZOBOBN-NSHDSACASA-N 0 1 273.384 2.338 20 10 CECDMN COc1cc(C)cc(CN(C(C)C)C2COC2)c1O ZINC000894868525 629706114 /nfs/dbraw/zinc/70/61/14/629706114.db2.gz BDACPBWWJCKWLB-UHFFFAOYSA-N 0 1 265.353 2.318 20 10 CECDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894881540 629716031 /nfs/dbraw/zinc/71/60/31/629716031.db2.gz RAPAECIJJAAWOY-RNCFNFMXSA-N 0 1 271.307 2.263 20 10 CECDMN C[C@]12COC[C@H]1C[N@@H+](Cc1cc(F)cc(F)c1[O-])C2 ZINC000895274784 630072672 /nfs/dbraw/zinc/07/26/72/630072672.db2.gz KLHBWJMMZZRECR-YGRLFVJLSA-N 0 1 269.291 2.139 20 10 CECDMN Cc1ccc(CN2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c(O)c1 ZINC000895923590 630404861 /nfs/dbraw/zinc/40/48/61/630404861.db2.gz WZKKJAPNBFMTAW-JHJVBQTASA-N 0 1 276.380 2.140 20 10 CECDMN CCN1CCCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928711136 631130662 /nfs/dbraw/zinc/13/06/62/631130662.db2.gz FDLPYEDBLPGXNE-ZDUSSCGKSA-N 0 1 280.343 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0 1 282.771 2.099 20 10 CECDMN C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000817412436 633650824 /nfs/dbraw/zinc/65/08/24/633650824.db2.gz LIMMRGKHNSLBEV-GHMZBOCLSA-N 0 1 269.772 2.496 20 10 CECDMN C[C@H](NC1C[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817956139 633799492 /nfs/dbraw/zinc/79/94/92/633799492.db2.gz RPLNHDNGTUDUEV-LURJTMIESA-N 0 1 261.152 2.321 20 10 CECDMN C[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(Cl)cc1[O-] ZINC000903317820 635064956 /nfs/dbraw/zinc/06/49/56/635064956.db2.gz VHUGYORTPYMBSP-KOLCDFICSA-N 0 1 254.761 2.400 20 10 CECDMN [NH3+][C@@H]1CN(Cc2cccc(F)c2[O-])CC[C@@H]1C(F)(F)F ZINC000903984283 635402766 /nfs/dbraw/zinc/40/27/66/635402766.db2.gz SBXOOXKQWAIJKI-GXSJLCMTSA-N 0 1 292.276 2.243 20 10 CECDMN C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000825046019 635548616 /nfs/dbraw/zinc/54/86/16/635548616.db2.gz OGIVYONZPHOXEV-JTQLQIEISA-N 0 1 279.771 2.500 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCOC2)cc1Cl ZINC000825107272 635571125 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COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840911212 639582660 /nfs/dbraw/zinc/58/26/60/639582660.db2.gz XKGUEAABVKONJG-SNVBAGLBSA-N 0 1 283.755 2.349 20 10 CECDMN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840911212 639582665 /nfs/dbraw/zinc/58/26/65/639582665.db2.gz XKGUEAABVKONJG-SNVBAGLBSA-N 0 1 283.755 2.349 20 10 CECDMN Cc1cc(O)c(CN(C)CCN2CCOCC2)c(Cl)c1 ZINC000840914994 639584272 /nfs/dbraw/zinc/58/42/72/639584272.db2.gz YGABOBAUVLNEPQ-UHFFFAOYSA-N 0 1 298.814 2.118 20 10 CECDMN Cn1cc(C[NH2+]Cc2cc(Br)ccc2[O-])cn1 ZINC000227439197 639590615 /nfs/dbraw/zinc/59/06/15/639590615.db2.gz ARDUGNCPYCOJEA-UHFFFAOYSA-N 0 1 296.168 2.178 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(Cl)c1 ZINC000840940728 639593772 /nfs/dbraw/zinc/59/37/72/639593772.db2.gz DDJONCSKGDXLSI-AWEZNQCLSA-N 0 1 282.771 2.051 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CC[C@](C)(C(N)=O)C2)c(Cl)c1 ZINC000840940728 639593776 /nfs/dbraw/zinc/59/37/76/639593776.db2.gz DDJONCSKGDXLSI-AWEZNQCLSA-N 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CCN1C[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])CC1=O ZINC000846095698 641179293 /nfs/dbraw/zinc/17/92/93/641179293.db2.gz ZHOQUVFRDLERCA-JTQLQIEISA-N 0 1 282.771 2.004 20 10 CECDMN CCc1nnc([C@H](C)N[C@H](C)c2cccc(OC)c2O)[nH]1 ZINC000846157389 641206929 /nfs/dbraw/zinc/20/69/29/641206929.db2.gz MEMZANKEZUTMHL-ZJUUUORDSA-N 0 1 290.367 2.493 20 10 CECDMN CCc1nnc([C@@H](C)N[C@H](C)c2cccc(OC)c2O)[nH]1 ZINC000846157386 641207180 /nfs/dbraw/zinc/20/71/80/641207180.db2.gz MEMZANKEZUTMHL-NXEZZACHSA-N 0 1 290.367 2.493 20 10 CECDMN C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Cl)ccc1[O-] ZINC000846192186 641217822 /nfs/dbraw/zinc/21/78/22/641217822.db2.gz FWZLZQPPULXMAJ-YGRLFVJLSA-N 0 1 285.771 2.238 20 10 CECDMN CN(C)c1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1F ZINC000848639281 642084230 /nfs/dbraw/zinc/08/42/30/642084230.db2.gz GNCTYGPSCNSEQS-UHFFFAOYSA-N 0 1 280.343 2.331 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CN2CCOCC2)c(Cl)c1 ZINC000921543581 642218282 /nfs/dbraw/zinc/21/82/82/642218282.db2.gz 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/nfs/dbraw/zinc/29/41/86/646294186.db2.gz ZJJBVNNAFSHLMH-UHFFFAOYSA-N 0 1 268.382 2.010 20 10 CECDMN COC[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862244233 646376294 /nfs/dbraw/zinc/37/62/94/646376294.db2.gz KNPRLVUWEXECAM-LLVKDONJSA-N 0 1 284.350 2.499 20 10 CECDMN C[C@H](O)CC[N@H+](C)Cc1c([O-])cccc1Br ZINC000862247534 646379580 /nfs/dbraw/zinc/37/95/80/646379580.db2.gz ZKIATDMXKNCBKB-VIFPVBQESA-N 0 1 288.185 2.357 20 10 CECDMN C[C@H](O)CC[N@@H+](C)Cc1c([O-])cccc1Br ZINC000862247534 646379586 /nfs/dbraw/zinc/37/95/86/646379586.db2.gz ZKIATDMXKNCBKB-VIFPVBQESA-N 0 1 288.185 2.357 20 10 CECDMN CN(C)c1cc(F)c(CN2CCC[C@@H]2CCO)cc1F ZINC000862333810 646403138 /nfs/dbraw/zinc/40/31/38/646403138.db2.gz WEWDMEHLKWUJLQ-GFCCVEGCSA-N 0 1 284.350 2.378 20 10 CECDMN CN(C)c1cc(F)c(CN(C)C[C@H](O)C2CC2)cc1F ZINC000862367651 646418366 /nfs/dbraw/zinc/41/83/66/646418366.db2.gz QBQZWOHBKGNLSB-HNNXBMFYSA-N 0 1 284.350 2.234 20 10 CECDMN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)[C@H]1O ZINC000862414109 646449744 /nfs/dbraw/zinc/44/97/44/646449744.db2.gz MNQNGQCAOWZMIP-CDMJZVDBSA-N 0 1 298.377 2.480 20 10 CECDMN COC[C@]1(C)CN(Cc2ccc(N(C)C)cc2C)CCO1 ZINC000862552339 646496230 /nfs/dbraw/zinc/49/62/30/646496230.db2.gz WQUOUWKKVZLCTR-KRWDZBQOSA-N 0 1 292.423 2.298 20 10 CECDMN COC[C@@]1(C)CN(Cc2cc(C)c(C)cc2O)CCO1 ZINC000862552449 646496642 /nfs/dbraw/zinc/49/66/42/646496642.db2.gz ZAPOIDJRENEUBM-MRXNPFEDSA-N 0 1 279.380 2.246 20 10 CECDMN Cc1ccc(O)c(CNC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000862757668 646558633 /nfs/dbraw/zinc/55/86/33/646558633.db2.gz BOAUWMINLZPPAX-LBPRGKRZSA-N 0 1 285.347 2.160 20 10 CECDMN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H](C)[C@H]1O ZINC000864051158 646871627 /nfs/dbraw/zinc/87/16/27/646871627.db2.gz BYQMDENFROYCLO-WOFXILAISA-N 0 1 271.307 2.119 20 10 CECDMN CC[C@@H]([NH2+]CCCOCCO)c1cc(Cl)ccc1[O-] ZINC000775548434 646964504 /nfs/dbraw/zinc/96/45/04/646964504.db2.gz ROZJBPJJMJTZPK-CYBMUJFWSA-N 0 1 287.787 2.485 20 10 CECDMN CCN(CC(=O)N(C)C)Cc1cc(Cl)cc(C)c1O ZINC000775651918 646976187 /nfs/dbraw/zinc/97/61/87/646976187.db2.gz CFCBQSYWWHCJOT-UHFFFAOYSA-N 0 1 284.787 2.264 20 10 CECDMN C[C@@H]1CCN2[C@H](c3cc(Cl)cc(F)c3O)NC(=O)[C@@H]2C1 ZINC000777900103 647188154 /nfs/dbraw/zinc/18/81/54/647188154.db2.gz ZOWGPXKKXHJDIX-BITCUVMXSA-N 0 1 298.745 2.414 20 10 CECDMN OC[C@@H]1CC(F)(F)CN1Cc1cc(Cl)cc(F)c1O ZINC000783702955 647749928 /nfs/dbraw/zinc/74/99/28/647749928.db2.gz MRJPQDIWCNUYHS-VIFPVBQESA-N 0 1 295.688 2.387 20 10 CECDMN COc1cccc(O)c1CN1CCO[C@@H](C(F)F)CC1 ZINC000872256199 649329584 /nfs/dbraw/zinc/32/95/84/649329584.db2.gz QLWXRPOYHBKMOU-CYBMUJFWSA-N 0 1 287.306 2.257 20 10 CECDMN COc1ccc(O)c(CN2CCN(C)c3ncccc3C2)c1 ZINC000872267562 649335642 /nfs/dbraw/zinc/33/56/42/649335642.db2.gz VWRXTGOXJOJIGY-UHFFFAOYSA-N 0 1 299.374 2.248 20 10 CECDMN C[C@H](CC[NH2+]Cc1c([O-])cccc1Cl)[S@@](C)=O ZINC000129391816 651937318 /nfs/dbraw/zinc/93/73/18/651937318.db2.gz RDJFLVPVJHTQEE-XLFHBGCDSA-N 0 1 275.801 2.292 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)C2CC2)c(Cl)c1 ZINC000883002824 652317047 /nfs/dbraw/zinc/31/70/47/652317047.db2.gz PMMKZXDZYQULGB-LBPRGKRZSA-N 0 1 255.745 2.215 20 10 CECDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000884441906 652852487 /nfs/dbraw/zinc/85/24/87/652852487.db2.gz SHPNSGSKHSXUKF-BMIGLBTASA-N 0 1 284.363 2.321 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C(C)(C)CO)c1[O-] ZINC000135821252 652993684 /nfs/dbraw/zinc/99/36/84/652993684.db2.gz WVQWXDXEYBHIML-UHFFFAOYSA-N 0 1 285.771 2.451 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C(C)(C)CO)c1[O-] ZINC000135821252 652993685 /nfs/dbraw/zinc/99/36/85/652993685.db2.gz WVQWXDXEYBHIML-UHFFFAOYSA-N 0 1 285.771 2.451 20 10 CECDMN [O-]c1c(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc(F)c1F ZINC000703346878 809643547 /nfs/dbraw/zinc/64/35/47/809643547.db2.gz FQEANLVIZGDLPI-SNVBAGLBSA-N 0 1 282.334 2.244 20 10 CECDMN CN1C[C@H](CC[NH2+]Cc2c([O-])cccc2Cl)CC1=O ZINC000723595381 802898280 /nfs/dbraw/zinc/89/82/80/802898280.db2.gz XUTSEVBGYOAWKM-SNVBAGLBSA-N 0 1 282.771 2.004 20 10 CECDMN CN1C[C@@H](CC[NH2+]Cc2c([O-])cccc2Cl)CC1=O ZINC000723595379 802898395 /nfs/dbraw/zinc/89/83/95/802898395.db2.gz XUTSEVBGYOAWKM-JTQLQIEISA-N 0 1 282.771 2.004 20 10 CECDMN C[C@@H]1CC(=O)CCN1Cc1c(O)cc(F)cc1F ZINC001140582513 803178407 /nfs/dbraw/zinc/17/84/07/803178407.db2.gz JMQFQWHDBRCWQU-MRVPVSSYSA-N 0 1 255.264 2.224 20 10 CECDMN OCCN(Cc1c(O)cc(F)cc1F)CC(F)(F)F ZINC001140584579 803187071 /nfs/dbraw/zinc/18/70/71/803187071.db2.gz XMLKUTYBWMESIE-UHFFFAOYSA-N 0 1 285.212 2.027 20 10 CECDMN C[C@H]([NH2+][C@H]1CCNC1=O)c1ccc2ccccc2c1[O-] ZINC000693853275 803368418 /nfs/dbraw/zinc/36/84/18/803368418.db2.gz WRAKAHLWRRUQOP-HZMBPMFUSA-N 0 1 270.332 2.085 20 10 CECDMN Cc1ccc(CN2CCN(c3nccc(C)n3)CC2)c(O)c1 ZINC001140954738 803627998 /nfs/dbraw/zinc/62/79/98/803627998.db2.gz XOCPYMUFRFZGQC-UHFFFAOYSA-N 0 1 298.390 2.121 20 10 CECDMN CCO[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233335585 807395754 /nfs/dbraw/zinc/39/57/54/807395754.db2.gz CFKQQJACQIISCC-SECBINFHSA-N 0 1 257.280 2.281 20 10 CECDMN O=C([O-])[C@@H](CC1CCC1)[NH2+]Cc1cc(F)cc(F)c1O ZINC001119612214 815139624 /nfs/dbraw/zinc/13/96/24/815139624.db2.gz XFQVEEHTJYOFFG-GFCCVEGCSA-N 0 1 285.290 2.403 20 10 CECDMN [O-]c1cc(Cl)c(Cl)cc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236300219 808061212 /nfs/dbraw/zinc/06/12/12/808061212.db2.gz ZUHLCMMLHHZHEO-LDYMZIIASA-N 0 1 273.163 2.103 20 10 CECDMN [O-]c1c(C[N@H+]2CC[C@H]3COC[C@H]3C2)ccc(F)c1F ZINC000703420058 809651994 /nfs/dbraw/zinc/65/19/94/809651994.db2.gz DFVQYFZNVRTTBC-WDEREUQCSA-N 0 1 269.291 2.139 20 10 CECDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCCO1 ZINC000703586851 809666299 /nfs/dbraw/zinc/66/62/99/809666299.db2.gz STYOEOFXHJMZAW-JTQLQIEISA-N 0 1 257.280 2.281 20 10 CECDMN CCOC[C@@H]1CN(Cc2cccc(CC)c2O)CCO1 ZINC000706615212 809841940 /nfs/dbraw/zinc/84/19/40/809841940.db2.gz PACYIOFZSWYGGH-HNNXBMFYSA-N 0 1 279.380 2.192 20 10 CECDMN CC(C)[C@@H](O)C[NH2+]Cc1c([O-])cccc1Br ZINC000706871990 809859008 /nfs/dbraw/zinc/85/90/08/809859008.db2.gz VENHIQYOMIZWBG-LBPRGKRZSA-N 0 1 288.185 2.261 20 10 CECDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000708441908 809931350 /nfs/dbraw/zinc/93/13/50/809931350.db2.gz LYIOOSRHGWOMIV-KOLCDFICSA-N 0 1 269.291 2.139 20 10 CECDMN Cn1nccc1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691470934 811900367 /nfs/dbraw/zinc/90/03/67/811900367.db2.gz ZYYDCRCWBKSGEB-UHFFFAOYSA-N 0 1 296.168 2.178 20 10 CECDMN O=S(=O)(Nc1ccc(O)cc1O)c1cccc(F)c1 ZINC001255558425 813740137 /nfs/dbraw/zinc/74/01/37/813740137.db2.gz RETXETDWXJUUPZ-UHFFFAOYSA-N 0 1 283.280 2.038 20 10 CECDMN COc1ccc(CN2CCc3cccc(O)c3C2)nc1 ZINC001144433710 814066943 /nfs/dbraw/zinc/06/69/43/814066943.db2.gz OYNKDFAYCVHZKL-UHFFFAOYSA-N 0 1 270.332 2.354 20 10 CECDMN Cc1cc(CN2C[C@H](F)C[C@H](CO)C2)ccc1N(C)C ZINC001139669566 815619085 /nfs/dbraw/zinc/61/90/85/815619085.db2.gz AZJFOSJCMVXXBS-LSDHHAIUSA-N 0 1 280.387 2.213 20 10 CECDMN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001137832807 815692092 /nfs/dbraw/zinc/69/20/92/815692092.db2.gz IOOZSMLDMKFODI-AWEZNQCLSA-N 0 1 271.307 2.218 20 10 CECDMN C[N@H+](C1CC1)[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC001138129529 815733360 /nfs/dbraw/zinc/73/33/60/815733360.db2.gz JDEILJZYYURBRE-ZDUSSCGKSA-N 0 1 264.344 2.200 20 10 CECDMN C[N@@H+](C1CC1)[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC001138129529 815733363 /nfs/dbraw/zinc/73/33/63/815733363.db2.gz JDEILJZYYURBRE-ZDUSSCGKSA-N 0 1 264.344 2.200 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001139681586 816080164 /nfs/dbraw/zinc/08/01/64/816080164.db2.gz UGCOKMGVVCUIPU-RNCFNFMXSA-N 0 1 269.291 2.281 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC001139685793 816081744 /nfs/dbraw/zinc/08/17/44/816081744.db2.gz XPRJZNHUXIUDPG-SECBINFHSA-N 0 1 257.280 2.017 20 10 CECDMN Oc1ccc(F)cc1CN1CC(N2CCC(F)CC2)C1 ZINC001140055136 816178820 /nfs/dbraw/zinc/17/88/20/816178820.db2.gz KZXRWCUZLOTNBG-UHFFFAOYSA-N 0 1 282.334 2.149 20 10 CECDMN C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C[C@H]1O ZINC001140463271 816259451 /nfs/dbraw/zinc/25/94/51/816259451.db2.gz YKGGTFFCYJEWRG-NOZJJQNGSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@H]1O ZINC001140463271 816259455 /nfs/dbraw/zinc/25/94/55/816259455.db2.gz YKGGTFFCYJEWRG-NOZJJQNGSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140462260 816261005 /nfs/dbraw/zinc/26/10/05/816261005.db2.gz CKDJJCNZDWEDAG-CABZTGNLSA-N 0 1 255.745 2.391 20 10 CECDMN C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140462260 816261009 /nfs/dbraw/zinc/26/10/09/816261009.db2.gz CKDJJCNZDWEDAG-CABZTGNLSA-N 0 1 255.745 2.391 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001140583063 816290206 /nfs/dbraw/zinc/29/02/06/816290206.db2.gz VDWFQGFWNDXMHM-CQSZACIVSA-N 0 1 269.291 2.283 20 10 CECDMN C[C@]1(CO)CC(F)(F)CN1Cc1c(O)cc(F)cc1F ZINC001140583107 816291471 /nfs/dbraw/zinc/29/14/71/816291471.db2.gz WHXNLMBEBKORHE-GFCCVEGCSA-N 0 1 293.260 2.262 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001140583483 816293439 /nfs/dbraw/zinc/29/34/39/816293439.db2.gz IQSXOINLLIFQMK-NSHDSACASA-N 0 1 294.305 2.099 20 10 CECDMN Cc1c(O)ccc(CN2CCN(C)c3ncccc3C2)c1O ZINC001140747922 816341391 /nfs/dbraw/zinc/34/13/91/816341391.db2.gz DETSQOXPRNVBNZ-UHFFFAOYSA-N 0 1 299.374 2.253 20 10 CECDMN CC(=O)c1cc(F)cc(CN2[C@H](C)CC(O)C[C@H]2C)c1O ZINC000191281815 369697891 /nfs/dbraw/zinc/69/78/91/369697891.db2.gz PDBJBAVLCVKFJN-NXEZZACHSA-N 0 1 295.354 2.468 20 10 CECDMN CCN1CC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273424981 373758406 /nfs/dbraw/zinc/75/84/06/373758406.db2.gz TVQFBAYAOHWKTA-NEPJUHHUSA-N 0 1 293.367 2.293 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCCO)c1[O-] ZINC000276446857 374233039 /nfs/dbraw/zinc/23/30/39/374233039.db2.gz VIJYNMNLWHYVDV-UHFFFAOYSA-N 0 1 285.771 2.453 20 10 CECDMN CC[N@@H+](CCOCCO)Cc1cc(Cl)cc(C)c1O ZINC000282654815 375540458 /nfs/dbraw/zinc/54/04/58/375540458.db2.gz GGNVQLXMPNOMJQ-UHFFFAOYSA-N 0 1 287.787 2.185 20 10 CECDMN CCn1cnnc1CN[C@H](C)c1c(C)cc(C)cc1O ZINC000284014099 375795863 /nfs/dbraw/zinc/79/58/63/375795863.db2.gz IKMXXRFCKIRBGN-GFCCVEGCSA-N 0 1 274.368 2.471 20 10 CECDMN CCc1nc(C)c(CNCc2cc3c(cc2O)OCO3)o1 ZINC000291894507 377216293 /nfs/dbraw/zinc/21/62/93/377216293.db2.gz YTOWFNPEGUKFRY-UHFFFAOYSA-N 0 1 290.319 2.270 20 10 CECDMN CCOc1ccc(O)c(CN(C(C)C)C2COC2)c1 ZINC000295954898 378368389 /nfs/dbraw/zinc/36/83/89/378368389.db2.gz HJIMKLGGMJKRIZ-UHFFFAOYSA-N 0 1 265.353 2.400 20 10 CECDMN COc1nccc(CNCc2ccc3c(c2)CCCN3C)n1 ZINC000296249081 378466345 /nfs/dbraw/zinc/46/63/45/378466345.db2.gz CYNPMSGEQUWZRN-UHFFFAOYSA-N 0 1 298.390 2.157 20 10 CECDMN Oc1cccc2c1[C@H](NCc1nnc(C3CC3)[nH]1)CC2 ZINC000296583783 378584311 /nfs/dbraw/zinc/58/43/11/378584311.db2.gz UNVYEMDRTSMJFX-LLVKDONJSA-N 0 1 270.336 2.165 20 10 CECDMN CCCNC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298713239 378810462 /nfs/dbraw/zinc/81/04/62/378810462.db2.gz KYCPKIASIWVKBP-UHFFFAOYSA-N 0 1 291.439 2.489 20 10 CECDMN CCOC[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1 ZINC000530105999 380195165 /nfs/dbraw/zinc/19/51/65/380195165.db2.gz KAQIJAGKGFZNTI-INIZCTEOSA-N 0 1 291.391 2.118 20 10 CECDMN CCOc1cccc(CN2CCOC[C@H]2C2CC2)c1O ZINC000093645469 394668840 /nfs/dbraw/zinc/66/88/40/394668840.db2.gz VUNJLFDXQGCXFG-AWEZNQCLSA-N 0 1 277.364 2.402 20 10 CECDMN CC[C@@H]1C(=O)NCCN1Cc1c(O)ccc2ccccc21 ZINC000106855447 394725687 /nfs/dbraw/zinc/72/56/87/394725687.db2.gz GACDJKGFAQPAQS-OAHLLOKOSA-N 0 1 284.359 2.256 20 10 CECDMN COc1cccc(CN2C[C@H](C)OC[C@H]2C)c1O ZINC000132192495 394926279 /nfs/dbraw/zinc/92/62/79/394926279.db2.gz UHXZMTLMWQZGOA-MNOVXSKESA-N 0 1 251.326 2.010 20 10 CECDMN C[N@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCOC1 ZINC000132774371 394937519 /nfs/dbraw/zinc/93/75/19/394937519.db2.gz JDQDDOCGGXHGJX-NSHDSACASA-N 0 1 286.169 2.375 20 10 CECDMN C[N@@H+](Cc1cc(Br)ccc1[O-])[C@H]1CCOC1 ZINC000132774371 394937524 /nfs/dbraw/zinc/93/75/24/394937524.db2.gz JDQDDOCGGXHGJX-NSHDSACASA-N 0 1 286.169 2.375 20 10 CECDMN Cc1cc(Cl)cc(CN(CC(N)=O)C(C)C)c1O ZINC000179579790 395196367 /nfs/dbraw/zinc/19/63/67/395196367.db2.gz GEZIEJDUTNSBRU-UHFFFAOYSA-N 0 1 270.760 2.050 20 10 CECDMN COc1ccc(O)c(CN(C)Cc2ccncc2)c1 ZINC000183743945 395260515 /nfs/dbraw/zinc/26/05/15/395260515.db2.gz RYGQYQQQOJKMPM-UHFFFAOYSA-N 0 1 258.321 2.428 20 10 CECDMN CCN(Cc1ccc(N(C)C)cc1)C[C@@H](O)C(F)(F)F ZINC000183923267 395268998 /nfs/dbraw/zinc/26/89/98/395268998.db2.gz ONLWRPGSPXQYFC-CYBMUJFWSA-N 0 1 290.329 2.498 20 10 CECDMN CCOc1cccc(CN2CCO[C@H](C)[C@@H]2C)c1O ZINC000093418097 260275981 /nfs/dbraw/zinc/27/59/81/260275981.db2.gz ZXYYXRRXVCHLMX-NWDGAFQWSA-N 0 1 265.353 2.400 20 10 CECDMN COc1cccc(CN[C@H](CCO)c2ccco2)c1O ZINC000184504751 262021229 /nfs/dbraw/zinc/02/12/29/262021229.db2.gz XVMMDKOXTBTAGO-GFCCVEGCSA-N 0 1 277.320 2.207 20 10 CECDMN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185466992 262055821 /nfs/dbraw/zinc/05/58/21/262055821.db2.gz OLPUSRFJLRVBQW-IINYFYTJSA-N 0 1 287.787 2.484 20 10 CECDMN C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186539958 262097782 /nfs/dbraw/zinc/09/77/82/262097782.db2.gz AWTZBLQBXKHZEZ-IRWWLHRVSA-N 0 1 275.801 2.463 20 10 CECDMN C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134899584 264528993 /nfs/dbraw/zinc/52/89/93/264528993.db2.gz AUKPKTLUXGEFII-SFYZADRCSA-N 0 1 274.158 2.186 20 10 CECDMN C[C@@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000134835057 264535336 /nfs/dbraw/zinc/53/53/36/264535336.db2.gz NWZHVBGMCUEXMR-HTQZYQBOSA-N 0 1 274.158 2.186 20 10 CECDMN CCOC(=O)[C@@H](F)C1CN(Cc2cc(C)c(C)cc2O)C1 ZINC000294043588 265003878 /nfs/dbraw/zinc/00/38/78/265003878.db2.gz WLGZRRBYUGUGEN-HNNXBMFYSA-N 0 1 295.354 2.342 20 10 CECDMN CCCC(=O)N1CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC000378492227 329052580 /nfs/dbraw/zinc/05/25/80/329052580.db2.gz GJISGJSJEZOTRK-UHFFFAOYSA-N 0 1 294.370 2.366 20 10 CECDMN CCn1ncc(CN[C@H](C)c2ccc(C)c(C)c2O)n1 ZINC000527926326 330296596 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[O-]c1c(F)ccc(F)c1C[N@H+]1CCOC2(CCOCC2)C1 ZINC001139686228 804458938 /nfs/dbraw/zinc/45/89/38/804458938.db2.gz QQSOONRRCSZTJQ-UHFFFAOYSA-N 0 1 299.317 2.052 20 10 CECDMN [NH3+][C@@]12CC[C@@H]1CN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001235997988 807917530 /nfs/dbraw/zinc/91/75/30/807917530.db2.gz ZZJBAOXTTAYQGM-ZWNOBZJWSA-N 0 1 286.297 2.334 20 10 CECDMN COCCOC1CN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001237800536 808257498 /nfs/dbraw/zinc/25/74/98/808257498.db2.gz KRZPAOVOOYSZAI-UHFFFAOYSA-N 0 1 289.734 2.032 20 10 CECDMN Oc1c(Cl)cc(F)cc1CN1C[C@H]2C[C@@H](C1)O2 ZINC001237798334 808257959 /nfs/dbraw/zinc/25/79/59/808257959.db2.gz DUEZZDFXIMOXDT-AOOOYVTPSA-N 0 1 257.692 2.158 20 10 CECDMN Cc1ccnc(N2CCN(Cc3ccc(N)cc3)CC2)c1 ZINC001120262846 815209100 /nfs/dbraw/zinc/20/91/00/815209100.db2.gz FPYHHJFFWVVOIT-UHFFFAOYSA-N 0 1 282.391 2.294 20 10 CECDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001120268482 815209315 /nfs/dbraw/zinc/20/93/15/815209315.db2.gz FYEDFTAHSLRDBH-OAHLLOKOSA-N 0 1 262.353 2.346 20 10 CECDMN CN1CC[C@@]2(CCC[N@@H+]2Cc2c([O-])cccc2Cl)C1=O ZINC001273108606 809220040 /nfs/dbraw/zinc/22/00/40/809220040.db2.gz WAVDUBFUGUMVSC-HNNXBMFYSA-N 0 1 294.782 2.242 20 10 CECDMN CN1CC[C@@]2(CCC[N@H+]2Cc2c([O-])cccc2Cl)C1=O ZINC001273108606 809220044 /nfs/dbraw/zinc/22/00/44/809220044.db2.gz WAVDUBFUGUMVSC-HNNXBMFYSA-N 0 1 294.782 2.242 20 10 CECDMN CCN(Cc1ccc(N(C)C)cc1)c1nccnc1CN ZINC001120828468 815282691 /nfs/dbraw/zinc/28/26/91/815282691.db2.gz QZCDNCSJSBEXRW-UHFFFAOYSA-N 0 1 285.395 2.028 20 10 CECDMN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1csnn1 ZINC000703276739 809634384 /nfs/dbraw/zinc/63/43/84/809634384.db2.gz YTDFQIMGSQNVMT-LURJTMIESA-N 0 1 271.292 2.373 20 10 CECDMN C[C@H](CCO)[NH2+]Cc1c([O-])cccc1Br ZINC000706846447 809857714 /nfs/dbraw/zinc/85/77/14/809857714.db2.gz ITYLADOTDFWPJP-MRVPVSSYSA-N 0 1 274.158 2.015 20 10 CECDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H](O)C1CC1 ZINC000706863357 809858569 /nfs/dbraw/zinc/85/85/69/809858569.db2.gz FBBOGPKNPUCPRR-LBPRGKRZSA-N 0 1 286.169 2.015 20 10 CECDMN [O-]c1cccc(Br)c1C[NH2+]CCn1ccnc1 ZINC000706809030 809855838 /nfs/dbraw/zinc/85/58/38/809855838.db2.gz GZVXHFRGAIXKPC-UHFFFAOYSA-N 0 1 296.168 2.141 20 10 CECDMN COC[C@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706830379 809856913 /nfs/dbraw/zinc/85/69/13/809856913.db2.gz TZEVZJMSQQRTLI-QMMMGPOBSA-N 0 1 274.158 2.279 20 10 CECDMN COC[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708422845 809929633 /nfs/dbraw/zinc/92/96/33/809929633.db2.gz OZNSNXZFRKNBAB-VIFPVBQESA-N 0 1 257.280 2.139 20 10 CECDMN CC(C)[C@@H](CO)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000394067746 813336091 /nfs/dbraw/zinc/33/60/91/813336091.db2.gz HKIQSIFCHGCZAY-LLVKDONJSA-N 0 1 257.761 2.400 20 10 CECDMN CC(C)[N@@H+]1CCN(Cc2cccc(F)c2[O-])C[C@@H]1C ZINC001138130740 815736213 /nfs/dbraw/zinc/73/62/13/815736213.db2.gz GPFCRPWXOGSQBR-LBPRGKRZSA-N 0 1 266.360 2.446 20 10 CECDMN CC(C)[N@H+]1CCN(Cc2cccc(F)c2[O-])C[C@@H]1C ZINC001138130740 815736217 /nfs/dbraw/zinc/73/62/17/815736217.db2.gz GPFCRPWXOGSQBR-LBPRGKRZSA-N 0 1 266.360 2.446 20 10 CECDMN CN(Cc1ccc2c(c1)CCCN2C)Cc1ccncn1 ZINC001138359636 815776332 /nfs/dbraw/zinc/77/63/32/815776332.db2.gz XDTUMFXAOZYVDL-UHFFFAOYSA-N 0 1 282.391 2.491 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2c([O-])c(F)ccc2F)CC[C@@]1(C)O ZINC001139684685 816082398 /nfs/dbraw/zinc/08/23/98/816082398.db2.gz KKRDOXZTPVOUIR-YMTOWFKASA-N 0 1 271.307 2.263 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@H+]1CCCC[C@@H](O)C1 ZINC001140337859 816235140 /nfs/dbraw/zinc/23/51/40/816235140.db2.gz JTLIDCNCZAEYRY-SNVBAGLBSA-N 0 1 255.745 2.392 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001140337859 816235143 /nfs/dbraw/zinc/23/51/43/816235143.db2.gz JTLIDCNCZAEYRY-SNVBAGLBSA-N 0 1 255.745 2.392 20 10 CECDMN C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c([O-])cccc1Cl ZINC001140337968 816238781 /nfs/dbraw/zinc/23/87/81/816238781.db2.gz PBYDKKOIPMSMRJ-ZJUUUORDSA-N 0 1 255.745 2.391 20 10 CECDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1c([O-])cccc1Cl ZINC001140337968 816238786 /nfs/dbraw/zinc/23/87/86/816238786.db2.gz PBYDKKOIPMSMRJ-ZJUUUORDSA-N 0 1 255.745 2.391 20 10 CECDMN COCC[NH+](CCOC)Cc1ccc(Cl)cc1[O-] ZINC001140461677 816260590 /nfs/dbraw/zinc/26/05/90/816260590.db2.gz QHHHMCIGBIIWPK-UHFFFAOYSA-N 0 1 273.760 2.140 20 10 CECDMN O=C1NC2(CO1)CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140464859 816261114 /nfs/dbraw/zinc/26/11/14/816261114.db2.gz CWCQTIYWXYZJAB-UHFFFAOYSA-N 0 1 296.754 2.120 20 10 CECDMN COC(=O)C[C@H]1CCC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140584177 816292790 /nfs/dbraw/zinc/29/27/90/816292790.db2.gz HBNKZQNDNCPMSL-SNVBAGLBSA-N 0 1 299.317 2.446 20 10 CECDMN CCOC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583927 816293220 /nfs/dbraw/zinc/29/32/20/816293220.db2.gz ZAMWLXUTDLZRKS-SECBINFHSA-N 0 1 285.290 2.055 20 10 CECDMN Cc1cc(CN2CCCc3cc(O)c(O)cc3C2)n[nH]1 ZINC001203080838 816418973 /nfs/dbraw/zinc/41/89/73/816418973.db2.gz DMOZDZBWXZZASZ-UHFFFAOYSA-N 0 1 273.336 2.078 20 10 CECDMN Cc1cc(CN(C)Cc2ccc(C)cc2O)n(C)n1 ZINC001140949738 816422158 /nfs/dbraw/zinc/42/21/58/816422158.db2.gz KHRNUJCXBVATDI-UHFFFAOYSA-N 0 1 259.353 2.375 20 10 CECDMN CN(c1ccc(N)cc1)c1ccc(N2CCN(C)CC2)nc1 ZINC001176661188 816460166 /nfs/dbraw/zinc/46/01/66/816460166.db2.gz LDOXPOKGIMWQLT-UHFFFAOYSA-N 0 1 297.406 2.184 20 10 CECDMN CC[N@@H+]1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142508533 816677526 /nfs/dbraw/zinc/67/75/26/816677526.db2.gz CCRDHYXTKMBOEM-UHFFFAOYSA-N 0 1 270.323 2.198 20 10 CECDMN CC[N@H+]1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142508533 816677531 /nfs/dbraw/zinc/67/75/31/816677531.db2.gz CCRDHYXTKMBOEM-UHFFFAOYSA-N 0 1 270.323 2.198 20 10 CECDMN CN(C)C(=O)CN(C)Cc1cccc(C(C)(C)C)c1O ZINC001143111202 816787450 /nfs/dbraw/zinc/78/74/50/816787450.db2.gz ZGYABBFUAQMZQF-UHFFFAOYSA-N 0 1 278.396 2.210 20 10 CECDMN CC1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000007351650 343359099 /nfs/dbraw/zinc/35/90/99/343359099.db2.gz UUHJDRCNXBFDCA-UHFFFAOYSA-N 0 1 289.423 2.101 20 10 CECDMN COc1ccc(N2CCN(C[C@@H]3CCCCO3)CC2)cc1 ZINC000058126813 343642253 /nfs/dbraw/zinc/64/22/53/343642253.db2.gz LZHMDRDZNAZTJF-KRWDZBQOSA-N 0 1 290.407 2.386 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H](C)O)c1[O-] ZINC000051822182 362439562 /nfs/dbraw/zinc/43/95/62/362439562.db2.gz AXJYQAFYFWRKFQ-QMMMGPOBSA-N 0 1 271.744 2.061 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@H](C)O)c1[O-] ZINC000051822182 362439571 /nfs/dbraw/zinc/43/95/71/362439571.db2.gz AXJYQAFYFWRKFQ-QMMMGPOBSA-N 0 1 271.744 2.061 20 10 CECDMN CCC(=O)N1CC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000134524134 366334376 /nfs/dbraw/zinc/33/43/76/366334376.db2.gz HVCMJEOBTPHTFO-JTQLQIEISA-N 0 1 282.771 2.146 20 10 CECDMN C[C@@H]([NH2+]C[C@H](C)CO)c1cc(Br)ccc1[O-] ZINC000134914469 366373370 /nfs/dbraw/zinc/37/33/70/366373370.db2.gz CIIQXKAZLGMDRG-DTWKUNHWSA-N 0 1 288.185 2.434 20 10 CECDMN CC[N@@H+](CCCO)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000135822495 366475055 /nfs/dbraw/zinc/47/50/55/366475055.db2.gz BCEIYCFWAYSKMO-UHFFFAOYSA-N 0 1 285.771 2.453 20 10 CECDMN C[C@@H]([NH2+]Cc1cnnn1C)c1cc(Cl)ccc1[O-] ZINC000287264982 376191299 /nfs/dbraw/zinc/19/12/99/376191299.db2.gz IRRZEAATYVYKHG-MRVPVSSYSA-N 0 1 266.732 2.025 20 10 CECDMN C[C@@H](O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180853936 368399092 /nfs/dbraw/zinc/39/90/92/368399092.db2.gz QJYPRXPLJIEKTG-ZJUUUORDSA-N 0 1 255.745 2.248 20 10 CECDMN Cc1cc(Cl)cc(CN(C)Cc2nnc[nH]2)c1O ZINC000180325305 368376248 /nfs/dbraw/zinc/37/62/48/368376248.db2.gz VAQFTRUNWZTNLL-UHFFFAOYSA-N 0 1 266.732 2.104 20 10 CECDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180567715 368386933 /nfs/dbraw/zinc/38/69/33/368386933.db2.gz LLANJHYOBNIKDU-AWEZNQCLSA-N 0 1 283.755 2.431 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246009598 370899806 /nfs/dbraw/zinc/89/98/06/370899806.db2.gz YDXCLLBCPRPKIB-ZIAGYGMSSA-N 0 1 297.782 2.425 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246009598 370899809 /nfs/dbraw/zinc/89/98/09/370899809.db2.gz YDXCLLBCPRPKIB-ZIAGYGMSSA-N 0 1 297.782 2.425 20 10 CECDMN COc1cc(Cl)cc(C[N@@H+](C)CC2(CO)CC2)c1O ZINC000188951606 369434302 /nfs/dbraw/zinc/43/43/02/369434302.db2.gz LFEIXTSKBCYAOP-UHFFFAOYSA-N 0 1 285.771 2.259 20 10 CECDMN COc1cc(Cl)cc(C[N@H+](C)CC2(CO)CC2)c1[O-] ZINC000188951606 369434305 /nfs/dbraw/zinc/43/43/05/369434305.db2.gz LFEIXTSKBCYAOP-UHFFFAOYSA-N 0 1 285.771 2.259 20 10 CECDMN COc1cc(Cl)cc(C[N@@H+](C)CC2(CO)CC2)c1[O-] ZINC000188951606 369434308 /nfs/dbraw/zinc/43/43/08/369434308.db2.gz LFEIXTSKBCYAOP-UHFFFAOYSA-N 0 1 285.771 2.259 20 10 CECDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(=O)N(C)C ZINC000188998830 369440311 /nfs/dbraw/zinc/44/03/11/369440311.db2.gz DGOVIDMLXGAOSZ-IUCAKERBSA-N 0 1 270.760 2.173 20 10 CECDMN CC[C@@]1(CO)CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000190217188 369605586 /nfs/dbraw/zinc/60/55/86/369605586.db2.gz WXWXYZWBWQMLIO-MRXNPFEDSA-N 0 1 279.380 2.385 20 10 CECDMN COC(=O)[C@H](C)N(Cc1ccccc1O)C1CCC1 ZINC000191641090 369730019 /nfs/dbraw/zinc/73/00/19/369730019.db2.gz MCOJOFSQMVLCPE-NSHDSACASA-N 0 1 263.337 2.308 20 10 CECDMN CC(C)(C)[C@@H](CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000231075716 370474947 /nfs/dbraw/zinc/47/49/47/370474947.db2.gz WJLLNCHNZPILGL-CYBMUJFWSA-N 0 1 255.333 2.418 20 10 CECDMN OC[C@H]1CC(F)(F)CN1Cc1cccc(Cl)c1O ZINC000364651195 372783649 /nfs/dbraw/zinc/78/36/49/372783649.db2.gz IKCBFYIUPQMSGR-SECBINFHSA-N 0 1 277.698 2.248 20 10 CECDMN CCN(CC)c1ccc(CN2CC[C@H](O)C2)cc1F ZINC000271057976 373096540 /nfs/dbraw/zinc/09/65/40/373096540.db2.gz BEUYPOHSOWOINP-ZDUSSCGKSA-N 0 1 266.360 2.239 20 10 CECDMN CC(C)N1C[C@H]([NH2+]Cc2c([O-])cccc2Cl)CC1=O ZINC000271840756 373203472 /nfs/dbraw/zinc/20/34/72/373203472.db2.gz QRGNKOVVMPWSDO-SNVBAGLBSA-N 0 1 282.771 2.145 20 10 CECDMN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000272240432 373377783 /nfs/dbraw/zinc/37/77/83/373377783.db2.gz GJELODGCTPPVCC-NSHDSACASA-N 0 1 279.233 2.030 20 10 CECDMN CCn1cnnc1CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000284014101 375796227 /nfs/dbraw/zinc/79/62/27/375796227.db2.gz IKMXXRFCKIRBGN-LBPRGKRZSA-N 0 1 274.368 2.471 20 10 CECDMN C[C@@H]1c2nncn2CCN1Cc1cc(Cl)c(F)cc1O ZINC000294654633 378003044 /nfs/dbraw/zinc/00/30/44/378003044.db2.gz LCOKGYPTAUNSOV-MRVPVSSYSA-N 0 1 296.733 2.353 20 10 CECDMN CCNC(=O)C[N@@H+](CC)Cc1cc(Cl)c(F)cc1[O-] ZINC000294771490 378018686 /nfs/dbraw/zinc/01/86/86/378018686.db2.gz AZLJRCLQJZDCTC-UHFFFAOYSA-N 0 1 288.750 2.143 20 10 CECDMN C[N@@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)CO ZINC000294932367 378029948 /nfs/dbraw/zinc/02/99/48/378029948.db2.gz ZPCFZAZAROBZGV-UHFFFAOYSA-N 0 1 257.761 2.496 20 10 CECDMN CC[C@@H](CO)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295124037 378042922 /nfs/dbraw/zinc/04/29/22/378042922.db2.gz NTCKDNIEDMRRKB-VIFPVBQESA-N 0 1 261.724 2.387 20 10 CECDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC1(CO)CC1 ZINC000294834119 378022279 /nfs/dbraw/zinc/02/22/79/378022279.db2.gz YQDZFBBLZMWCTI-UHFFFAOYSA-N 0 1 273.735 2.389 20 10 CECDMN C[C@H]([NH2+]CCN1CCC(O)CC1)c1cc(Cl)ccc1[O-] ZINC000295813800 378314613 /nfs/dbraw/zinc/31/46/13/378314613.db2.gz 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C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(Cl)ccc1[O-] ZINC000834909559 637984556 /nfs/dbraw/zinc/98/45/56/637984556.db2.gz SKKQPOAJKCSXLN-OTYXRUKQSA-N 0 1 282.771 2.365 20 10 CECDMN C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(Cl)ccc1[O-] ZINC000834909562 637984885 /nfs/dbraw/zinc/98/48/85/637984885.db2.gz SKKQPOAJKCSXLN-XPTSAGLGSA-N 0 1 282.771 2.365 20 10 CECDMN CCCN1CC(=O)N[C@@H]1c1cc(Cl)cc(F)c1O ZINC000840824430 639552338 /nfs/dbraw/zinc/55/23/38/639552338.db2.gz LYDPVDANIXMJKB-LBPRGKRZSA-N 0 1 272.707 2.025 20 10 CECDMN CCN1C(=O)C(C)(C)N[C@@H]1c1cc(Cl)c(F)cc1O ZINC000840837252 639557848 /nfs/dbraw/zinc/55/78/48/639557848.db2.gz HREWUTNQSMPQNE-NSHDSACASA-N 0 1 286.734 2.414 20 10 CECDMN CC(=O)N1CCC([NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840871166 639567996 /nfs/dbraw/zinc/56/79/96/639567996.db2.gz CGAJBMZAHKXROF-UHFFFAOYSA-N 0 1 296.798 2.455 20 10 CECDMN CCN(CC)C(=O)C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840885004 639572260 /nfs/dbraw/zinc/57/22/60/639572260.db2.gz SWOVVDUYONXGGE-UHFFFAOYSA-N 0 1 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CCN(CC)C(=O)CN(C)Cc1cc(C)cc(OC)c1O ZINC000916568160 640783509 /nfs/dbraw/zinc/78/35/09/640783509.db2.gz ITOGRCMVABJSEB-UHFFFAOYSA-N 0 1 294.395 2.009 20 10 CECDMN CC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000846187994 641216972 /nfs/dbraw/zinc/21/69/72/641216972.db2.gz DNXOKBLKLVXGQE-XRNSZHNASA-N 0 1 282.771 2.350 20 10 CECDMN CCCN(Cc1cccc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179574021 641363846 /nfs/dbraw/zinc/36/38/46/641363846.db2.gz ZTXHSCATOAMXOO-CQSZACIVSA-N 0 1 297.420 2.100 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000179574613 641364453 /nfs/dbraw/zinc/36/44/53/641364453.db2.gz HMYNIBDSSFRULX-CYBMUJFWSA-N 0 1 285.771 2.019 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000179574613 641364457 /nfs/dbraw/zinc/36/44/57/641364457.db2.gz HMYNIBDSSFRULX-CYBMUJFWSA-N 0 1 285.771 2.019 20 10 CECDMN CO[C@@](C)(CO)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000848556421 642052676 /nfs/dbraw/zinc/05/26/76/642052676.db2.gz XNHGEMIJDDMGJW-NOZJJQNGSA-N 0 1 273.760 2.094 20 10 CECDMN CCc1cccc(CN2CC[C@@](F)(C(=O)OC)C2)c1O ZINC000848891504 642174822 /nfs/dbraw/zinc/17/48/22/642174822.db2.gz ZIZOVCDDWUPAKF-HNNXBMFYSA-N 0 1 281.327 2.042 20 10 CECDMN COc1ccc(CNCc2cc3n(n2)CCCC3)c(O)c1 ZINC000848908267 642184150 /nfs/dbraw/zinc/18/41/50/642184150.db2.gz PRSKEZRFSSGYSS-UHFFFAOYSA-N 0 1 287.363 2.223 20 10 CECDMN Cc1cccc(O)c1CN1CC[C@@H](C)[S@](=O)CC1 ZINC000877476270 650739650 /nfs/dbraw/zinc/73/96/50/650739650.db2.gz AALRMHOFMHEIFO-KZULUSFZSA-N 0 1 267.394 2.044 20 10 CECDMN CO[C@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)[C@H]1CCOC1 ZINC000850342860 642672899 /nfs/dbraw/zinc/67/28/99/642672899.db2.gz NYILMFJZHBVWRL-XHDPSFHLSA-N 0 1 299.798 2.495 20 10 CECDMN C[C@@H]1C[C@H](N[C@H]2CCc3cccc(O)c32)c2ncnn21 ZINC000850499805 642733109 /nfs/dbraw/zinc/73/31/09/642733109.db2.gz XTBXZMPHRVKOBS-USWWRNFRSA-N 0 1 270.336 2.267 20 10 CECDMN COC(=O)N(C)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000850547398 642748786 /nfs/dbraw/zinc/74/87/86/642748786.db2.gz FRSVFFROXBSBIN-SECBINFHSA-N 0 1 286.759 2.394 20 10 CECDMN CCOC(=O)[C@H](F)C1CN(Cc2c(C)cccc2O)C1 ZINC000877550731 650783045 /nfs/dbraw/zinc/78/30/45/650783045.db2.gz RIAKPPXZIFUKSR-CQSZACIVSA-N 0 1 281.327 2.034 20 10 CECDMN C[C@H](NCc1ccc2c(c1)CCCO2)[C@H](O)C(F)(F)F ZINC000922310712 643018157 /nfs/dbraw/zinc/01/81/57/643018157.db2.gz ZPAVCBPBPSBJJA-ZANVPECISA-N 0 1 289.297 2.413 20 10 CECDMN C[C@@H](NCc1c(O)ccc(Cl)c1F)c1cn(C)nn1 ZINC000922635340 643173719 /nfs/dbraw/zinc/17/37/19/643173719.db2.gz QLTJYZQCASCVLL-SSDOTTSWSA-N 0 1 284.722 2.164 20 10 CECDMN COC(=O)[C@@]1(C)C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC000877666316 650840549 /nfs/dbraw/zinc/84/05/49/650840549.db2.gz GGYHCIJHQCRAQU-VFZGTOFNSA-N 0 1 299.317 2.301 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1[O-] ZINC000852536961 643464091 /nfs/dbraw/zinc/46/40/91/643464091.db2.gz LJUGRRTWSHGMNX-XHDPSFHLSA-N 0 1 295.766 2.205 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1[O-] ZINC000852536961 643464093 /nfs/dbraw/zinc/46/40/93/643464093.db2.gz LJUGRRTWSHGMNX-XHDPSFHLSA-N 0 1 295.766 2.205 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c1O ZINC000852701913 643518128 /nfs/dbraw/zinc/51/81/28/643518128.db2.gz VTONRMMJIFCCOI-MGPLVRAMSA-N 0 1 295.354 2.184 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c1[O-] ZINC000852701913 643518135 /nfs/dbraw/zinc/51/81/35/643518135.db2.gz VTONRMMJIFCCOI-MGPLVRAMSA-N 0 1 295.354 2.184 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c1[O-] ZINC000852701913 643518141 /nfs/dbraw/zinc/51/81/41/643518141.db2.gz VTONRMMJIFCCOI-MGPLVRAMSA-N 0 1 295.354 2.184 20 10 CECDMN C[C@H]1CN(C(=O)C2=CC(=O)CS2)CCN(C2CCC2)C1 ZINC000854602797 644105894 /nfs/dbraw/zinc/10/58/94/644105894.db2.gz MFQMTWMJAOWRCW-LLVKDONJSA-N 0 1 294.420 2.400 20 10 CECDMN CCNC(=O)C1CN(Cc2ccc(N(CC)CC)cc2)C1 ZINC000839139883 644171949 /nfs/dbraw/zinc/17/19/49/644171949.db2.gz XVXCXYXPERNIOO-UHFFFAOYSA-N 0 1 289.423 2.101 20 10 CECDMN Cc1cc(Cl)cc(CN2CCSC[C@H]2CO)c1O ZINC000877779877 650907328 /nfs/dbraw/zinc/90/73/28/650907328.db2.gz GZRLCVZCLNHSTD-GFCCVEGCSA-N 0 1 287.812 2.264 20 10 CECDMN C[C@H]([NH2+]CCN1CCC1)c1cc(Cl)ccc1[O-] ZINC000756771062 644691485 /nfs/dbraw/zinc/69/14/85/644691485.db2.gz ZFCTYEGNTLSITJ-JTQLQIEISA-N 0 1 254.761 2.402 20 10 CECDMN Cc1nnc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000757637428 644829900 /nfs/dbraw/zinc/82/99/00/644829900.db2.gz HUJLYPSYJUJYPS-ZETCQYMHSA-N 0 1 294.336 2.311 20 10 CECDMN CCOCCNCc1cc(F)c(N(C)C)cc1F ZINC000858098004 645060701 /nfs/dbraw/zinc/06/07/01/645060701.db2.gz DNTWEVPWPORSTA-UHFFFAOYSA-N 0 1 258.312 2.157 20 10 CECDMN COc1ccc(CN[C@H]2CCN(C3CCC3)C2=O)cc1C ZINC000858342424 645126271 /nfs/dbraw/zinc/12/62/71/645126271.db2.gz MFHQNTIJPJJHIP-HNNXBMFYSA-N 0 1 288.391 2.247 20 10 CECDMN CC[C@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000858602389 645217831 /nfs/dbraw/zinc/21/78/31/645217831.db2.gz XZDGYTDVTUEYTG-JSGCOSHPSA-N 0 1 298.814 2.153 20 10 CECDMN Cc1cc(C)c(O)c(CN2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000763381870 645540349 /nfs/dbraw/zinc/54/03/49/645540349.db2.gz JEAJSAPLAOLLJI-CQSZACIVSA-N 0 1 297.420 2.018 20 10 CECDMN CC(C)CN1CC(=O)N[C@@H]1c1cc(Cl)cc(F)c1O ZINC000768273545 646103432 /nfs/dbraw/zinc/10/34/32/646103432.db2.gz KGCNOPVLWJANKV-ZDUSSCGKSA-N 0 1 286.734 2.271 20 10 CECDMN CCN(CC(=O)NCc1ccc2cccnc2c1O)C1CC1 ZINC000862027380 646326825 /nfs/dbraw/zinc/32/68/25/646326825.db2.gz QAKBVLNEDKILFA-UHFFFAOYSA-N 0 1 299.374 2.041 20 10 CECDMN C[C@H](O)CN(Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000862407233 646442791 /nfs/dbraw/zinc/44/27/91/646442791.db2.gz VWYLBERGVXHGKN-JTQLQIEISA-N 0 1 284.350 2.376 20 10 CECDMN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000862757666 646558461 /nfs/dbraw/zinc/55/84/61/646558461.db2.gz BOAUWMINLZPPAX-GFCCVEGCSA-N 0 1 285.347 2.160 20 10 CECDMN Cc1ccc(O)c(CNC(=O)c2[nH]nc3c2CCCC3)c1 ZINC000862759299 646559888 /nfs/dbraw/zinc/55/98/88/646559888.db2.gz CBMIIYAKMKUNDI-UHFFFAOYSA-N 0 1 285.347 2.233 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[O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000180707551 329222435 /nfs/dbraw/zinc/22/24/35/329222435.db2.gz YDXCLLBCPRPKIB-UONOGXRCSA-N 0 1 297.782 2.425 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000180707551 329222437 /nfs/dbraw/zinc/22/24/37/329222437.db2.gz YDXCLLBCPRPKIB-UONOGXRCSA-N 0 1 297.782 2.425 20 10 CECDMN CCOc1ccc(O)c(CN2CCO[C@@H](CC)C2)c1 ZINC000125600474 521146310 /nfs/dbraw/zinc/14/63/10/521146310.db2.gz TXQSIDRLYTUDMF-ZDUSSCGKSA-N 0 1 265.353 2.402 20 10 CECDMN C[N@@H+](CCCCO)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000276644882 522737946 /nfs/dbraw/zinc/73/79/46/522737946.db2.gz LHVWRIZQVOJLQQ-UHFFFAOYSA-N 0 1 288.731 2.158 20 10 CECDMN CC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000292773288 523173238 /nfs/dbraw/zinc/17/32/38/523173238.db2.gz KQXBKSGKYSWMNS-JTQLQIEISA-N 0 1 266.297 2.293 20 10 CECDMN CC[C@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000292773288 523173244 /nfs/dbraw/zinc/17/32/44/523173244.db2.gz KQXBKSGKYSWMNS-JTQLQIEISA-N 0 1 266.297 2.293 20 10 CECDMN C[C@H]1CN(Cc2cccc(Cl)c2O)CC[S@](=O)C1 ZINC000277384597 524623236 /nfs/dbraw/zinc/62/32/36/524623236.db2.gz GNGLUBFNBMYDSV-YPMLDQLKSA-N 0 1 287.812 2.246 20 10 CECDMN COc1ccc(O)c(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000280468454 524744156 /nfs/dbraw/zinc/74/41/56/524744156.db2.gz CINXODORQOFUPV-ZBEGNZNMSA-N 0 1 277.364 2.400 20 10 CECDMN C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000275321148 524866774 /nfs/dbraw/zinc/86/67/74/524866774.db2.gz SIQHJYGTSMJPQV-JEOXALJRSA-N 0 1 286.416 2.091 20 10 CECDMN C[C@H]1OCC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000127310651 525050488 /nfs/dbraw/zinc/05/04/88/525050488.db2.gz QAMOOMGIVXKVOX-LDYMZIIASA-N 0 1 286.169 2.422 20 10 CECDMN c1ccc(CNCc2ccc(N3CCOCC3)cc2)nc1 ZINC000020091634 526472453 /nfs/dbraw/zinc/47/24/53/526472453.db2.gz DZRVSZSVPRZREE-UHFFFAOYSA-N 0 1 283.375 2.208 20 10 CECDMN Cc1noc([C@@H]2CCCN2Cc2ccccc2O)n1 ZINC000289910494 526654576 /nfs/dbraw/zinc/65/45/76/526654576.db2.gz UYLLBROHECOVOU-LBPRGKRZSA-N 0 1 259.309 2.421 20 10 CECDMN C[C@@H](CNC(=O)C1=CC(=O)CS1)N1CCC[C@H](C)C1 ZINC000731869557 574604484 /nfs/dbraw/zinc/60/44/84/574604484.db2.gz LMTLJUPCRFSHMZ-QWRGUYRKSA-N 0 1 282.409 2.304 20 10 CECDMN C[C@H]1CCC[C@H](C)N1CCNC(=O)C1=CC(=O)CS1 ZINC000732289523 574618331 /nfs/dbraw/zinc/61/83/31/574618331.db2.gz HXPQTVPIMIRIQX-QWRGUYRKSA-N 0 1 282.409 2.446 20 10 CECDMN O=C(NCCCSc1nccs1)C(F)(F)F ZINC000733972494 574696194 /nfs/dbraw/zinc/69/61/94/574696194.db2.gz SECJTAQMHWOCHH-UHFFFAOYSA-N 0 1 270.301 2.304 20 10 CECDMN C[C@H](C(=O)NC(C)(C)C)N(C)Cc1ccc(N(C)C)cc1 ZINC000741447813 574986884 /nfs/dbraw/zinc/98/68/84/574986884.db2.gz PXDZVCIWVBTZPY-CYBMUJFWSA-N 0 1 291.439 2.488 20 10 CECDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)N(C)C)cc1 ZINC000741678368 574993855 /nfs/dbraw/zinc/99/38/55/574993855.db2.gz PIWLYAVFZMPANK-AWEZNQCLSA-N 0 1 291.439 2.441 20 10 CECDMN COCC[NH+](CCOC)Cc1c([O-])ccc2ccncc21 ZINC000747451899 575170505 /nfs/dbraw/zinc/17/05/05/575170505.db2.gz WCICFUMPPMJUHR-UHFFFAOYSA-N 0 1 290.363 2.035 20 10 CECDMN CC[C@H](CN1CCCC1)NC(=O)C1=CC(=O)CS1 ZINC000751392380 575287961 /nfs/dbraw/zinc/28/79/61/575287961.db2.gz XFWWQVSRIWFFSF-SNVBAGLBSA-N 0 1 268.382 2.058 20 10 CECDMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1O ZINC000724850541 600313654 /nfs/dbraw/zinc/31/36/54/600313654.db2.gz BRGHEQJUWHUPGC-UHFFFAOYSA-N 0 1 261.277 2.315 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)C[C@@H]1C(=O)[O-] ZINC000828457426 601814232 /nfs/dbraw/zinc/81/42/32/601814232.db2.gz UODJTDWLUAUPRG-MFKMUULPSA-N 0 1 286.331 2.093 20 10 CECDMN Cc1cc(O)c(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cc1C ZINC000832899481 601818027 /nfs/dbraw/zinc/81/80/27/601818027.db2.gz OIIPGVAGBLLPGV-YPMHNXCESA-N 0 1 263.337 2.162 20 10 CECDMN COC[C@H]1CN(Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000179444973 625444462 /nfs/dbraw/zinc/44/44/62/625444462.db2.gz HHNLQXXCGOIRFA-MRXNPFEDSA-N 0 1 291.391 2.118 20 10 CECDMN CC[C@H](C(=O)NCc1cccc(Cl)c1[O-])[NH+](C)C ZINC000890759421 622931699 /nfs/dbraw/zinc/93/16/99/622931699.db2.gz AZDMTUZBIPGPDD-LLVKDONJSA-N 0 1 270.760 2.002 20 10 CECDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2O)C1 ZINC000086773086 623350359 /nfs/dbraw/zinc/35/03/59/623350359.db2.gz YLJQNNIAIQTJNQ-GFCCVEGCSA-N 0 1 289.253 2.231 20 10 CECDMN CN1CCN(c2ccc(CNC(=O)C=C3CCC3)cc2)CC1 ZINC000893608228 628787662 /nfs/dbraw/zinc/78/76/62/628787662.db2.gz SXHKDZWOVPUSBD-UHFFFAOYSA-N 0 1 299.418 2.165 20 10 CECDMN Oc1c(Cl)cccc1CN1CCO[C@@H](CF)C1 ZINC000840954977 628870093 /nfs/dbraw/zinc/87/00/93/628870093.db2.gz OLQVTUKIENMYGC-JTQLQIEISA-N 0 1 259.708 2.216 20 10 CECDMN CN(Cc1ccon1)Cc1cc(F)cc(F)c1O ZINC000894040634 629098722 /nfs/dbraw/zinc/09/87/22/629098722.db2.gz XARVEAAQFKFELQ-UHFFFAOYSA-N 0 1 254.236 2.290 20 10 CECDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccsc1 ZINC000795345836 629523780 /nfs/dbraw/zinc/52/37/80/629523780.db2.gz QUBNFVKIFGTBLJ-UHFFFAOYSA-N 0 1 297.357 2.457 20 10 CECDMN Cc1c(C[N@@H+](C)Cc2cc(F)cc(F)c2[O-])cnn1C ZINC000894597065 629555196 /nfs/dbraw/zinc/55/51/96/629555196.db2.gz SWMSBKMSUCLZKM-UHFFFAOYSA-N 0 1 281.306 2.344 20 10 CECDMN CN(CC[N@@H+](C)C1CC1)Cc1cc(F)cc(F)c1[O-] ZINC000894777923 629633120 /nfs/dbraw/zinc/63/31/20/629633120.db2.gz WNHRRZKHHQMACX-UHFFFAOYSA-N 0 1 270.323 2.196 20 10 CECDMN COc1cccc(CN(CCO)Cc2ccc(C)o2)c1O ZINC000793364886 629865132 /nfs/dbraw/zinc/86/51/32/629865132.db2.gz IATHIYQWRQBIPU-UHFFFAOYSA-N 0 1 291.347 2.297 20 10 CECDMN C[C@@H]1NC(=O)[C@H](C)N(Cc2cccc(Cl)c2O)[C@H]1C ZINC000895119447 629921909 /nfs/dbraw/zinc/92/19/09/629921909.db2.gz YQVHPVXLIPKLCX-GUBZILKMSA-N 0 1 282.771 2.143 20 10 CECDMN CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895478001 630213162 /nfs/dbraw/zinc/21/31/62/630213162.db2.gz SIPLLVGOXQKCAI-JTQLQIEISA-N 0 1 271.307 2.263 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895694777 630304008 /nfs/dbraw/zinc/30/40/08/630304008.db2.gz KCMZRYNUTWTRHK-UHFFFAOYSA-N 0 1 297.782 2.427 20 10 CECDMN CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841743817 631546823 /nfs/dbraw/zinc/54/68/23/631546823.db2.gz KHZUITIWECCVIK-VIFPVBQESA-N 0 1 270.760 2.221 20 10 CECDMN CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000812779306 632576082 /nfs/dbraw/zinc/57/60/82/632576082.db2.gz LROCMCLLFXHMGL-GFCCVEGCSA-N 0 1 255.745 2.391 20 10 CECDMN CC1(C)[C@H](O)CC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000812779306 632576086 /nfs/dbraw/zinc/57/60/86/632576086.db2.gz LROCMCLLFXHMGL-GFCCVEGCSA-N 0 1 255.745 2.391 20 10 CECDMN CC1(C)[C@H](O)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000812778092 632576156 /nfs/dbraw/zinc/57/61/56/632576156.db2.gz BWEVJWUYXVLDTM-LLVKDONJSA-N 0 1 255.745 2.391 20 10 CECDMN C[C@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1ccccc1O ZINC000899181400 632726987 /nfs/dbraw/zinc/72/69/87/632726987.db2.gz BREZCXSZXWJQSW-AAEUAGOBSA-N 0 1 276.380 2.442 20 10 CECDMN CCCN(CC(N)=O)Cc1cc(Cl)cc(C)c1O ZINC000814177917 632801220 /nfs/dbraw/zinc/80/12/20/632801220.db2.gz UYBRJTDAYUAWAF-UHFFFAOYSA-N 0 1 270.760 2.051 20 10 CECDMN Cc1cc(CN2CC(O)(C(C)C)C2)ccc1N(C)C ZINC000815102630 632959822 /nfs/dbraw/zinc/95/98/22/632959822.db2.gz KVLQLWULYUKEBV-UHFFFAOYSA-N 0 1 262.397 2.264 20 10 CECDMN NC(=O)C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816480776 633397015 /nfs/dbraw/zinc/39/70/15/633397015.db2.gz WVNFNYIODUAQAV-UHFFFAOYSA-N 0 1 284.359 2.243 20 10 CECDMN NC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816478108 633397391 /nfs/dbraw/zinc/39/73/91/633397391.db2.gz URKDTDRQTKJVAX-AWEZNQCLSA-N 0 1 284.359 2.243 20 10 CECDMN NC(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816478108 633397393 /nfs/dbraw/zinc/39/73/93/633397393.db2.gz URKDTDRQTKJVAX-AWEZNQCLSA-N 0 1 284.359 2.243 20 10 CECDMN Cn1cc([C@@H](O)C[NH2+]Cc2ccc3ccccc3c2[O-])cn1 ZINC000816555116 633411917 /nfs/dbraw/zinc/41/19/17/633411917.db2.gz UNLOOFSVEKKYFE-INIZCTEOSA-N 0 1 297.358 2.102 20 10 CECDMN COCCC[N@@H+](CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000816586812 633417770 /nfs/dbraw/zinc/41/77/70/633417770.db2.gz UCECTKNDGCGRNA-UHFFFAOYSA-N 0 1 291.750 2.016 20 10 CECDMN C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(F)ccc1[O-] ZINC000817585264 633702092 /nfs/dbraw/zinc/70/20/92/633702092.db2.gz DQYJWWZSGHCNMB-IJLUTSLNSA-N 0 1 294.370 2.474 20 10 CECDMN CCOc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000817881990 633751469 /nfs/dbraw/zinc/75/14/69/633751469.db2.gz SXBWLSFAVAUUHI-YPMHNXCESA-N 0 1 293.363 2.334 20 10 CECDMN COc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1O ZINC000818631793 633967381 /nfs/dbraw/zinc/96/73/81/633967381.db2.gz QMDDGLBWVSTKLF-GWCFXTLKSA-N 0 1 279.336 2.086 20 10 CECDMN C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)[C@H]1C(=O)[O-] ZINC000818631594 633967615 /nfs/dbraw/zinc/96/76/15/633967615.db2.gz KMZWTMHWEHNJFJ-IUODEOHRSA-N 0 1 276.380 2.438 20 10 CECDMN CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1O ZINC000818632045 633967801 /nfs/dbraw/zinc/96/78/01/633967801.db2.gz ZLVYSAFGWRBDAV-FZMZJTMJSA-N 0 1 293.363 2.476 20 10 CECDMN COc1nccnc1CNCCCSc1nccs1 ZINC000823937956 635309603 /nfs/dbraw/zinc/30/96/03/635309603.db2.gz OHCJNQFRGFQACF-UHFFFAOYSA-N 0 1 296.421 2.214 20 10 CECDMN CC(=O)N1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824542861 635447947 /nfs/dbraw/zinc/44/79/47/635447947.db2.gz ZDFPGZLRTCTCPL-UHFFFAOYSA-N 0 1 296.798 2.408 20 10 CECDMN CC(=O)N1CCCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824542861 635447949 /nfs/dbraw/zinc/44/79/49/635447949.db2.gz ZDFPGZLRTCTCPL-UHFFFAOYSA-N 0 1 296.798 2.408 20 10 CECDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(F)ccc1O ZINC000824636264 635467234 /nfs/dbraw/zinc/46/72/34/635467234.db2.gz NNMIDFDFTSCGLF-ZWNOBZJWSA-N 0 1 253.317 2.124 20 10 CECDMN CO[C@H]1COCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000824710448 635483000 /nfs/dbraw/zinc/48/30/00/635483000.db2.gz YWFQGPSIOVDLSU-YGRLFVJLSA-N 0 1 285.771 2.187 20 10 CECDMN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000825091317 635564113 /nfs/dbraw/zinc/56/41/13/635564113.db2.gz YCKDWEKJUFHGHV-GFCCVEGCSA-N 0 1 279.380 2.384 20 10 CECDMN COc1cccc([O-])c1C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000825091317 635564116 /nfs/dbraw/zinc/56/41/16/635564116.db2.gz YCKDWEKJUFHGHV-GFCCVEGCSA-N 0 1 279.380 2.384 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000825436542 635638530 /nfs/dbraw/zinc/63/85/30/635638530.db2.gz VXQMKBZLZKWOQW-JOYOIKCWSA-N 0 1 298.180 2.181 20 10 CECDMN COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000826139748 635765798 /nfs/dbraw/zinc/76/57/98/635765798.db2.gz MQKVNIZXOKVZJQ-KPXOXKRLSA-N 0 1 283.755 2.333 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C2([C@@H](C)O)CC2)cc1Cl ZINC000827585229 636359817 /nfs/dbraw/zinc/35/98/17/636359817.db2.gz CQOYVOKYWBDTFG-SECBINFHSA-N 0 1 255.745 2.357 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@]1(C)CO ZINC000827699049 636396393 /nfs/dbraw/zinc/39/63/93/636396393.db2.gz DIPJBUOXBAQTFC-QMTHXVAHSA-N 0 1 269.772 2.496 20 10 CECDMN C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@]1(C)CO ZINC000827699049 636396400 /nfs/dbraw/zinc/39/64/00/636396400.db2.gz DIPJBUOXBAQTFC-QMTHXVAHSA-N 0 1 269.772 2.496 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@]1(C)CO ZINC000827699049 636396404 /nfs/dbraw/zinc/39/64/04/636396404.db2.gz DIPJBUOXBAQTFC-QMTHXVAHSA-N 0 1 269.772 2.496 20 10 CECDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@]1(C)CO ZINC000827699846 636397697 /nfs/dbraw/zinc/39/76/97/636397697.db2.gz MYSLQCFPNLNUAT-HZMBPMFUSA-N 0 1 269.772 2.496 20 10 CECDMN C[C@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccccc1O ZINC000827964054 636472038 /nfs/dbraw/zinc/47/20/38/636472038.db2.gz GMUIBGIWPLQZLF-WDEREUQCSA-N 0 1 285.347 2.098 20 10 CECDMN C[C@H](NC(=O)[C@H]1CCCN1C1CC1)c1ccccc1O ZINC000827968910 636473731 /nfs/dbraw/zinc/47/37/31/636473731.db2.gz CUVZPNGCSHACFB-SMDDNHRTSA-N 0 1 274.364 2.196 20 10 CECDMN CN(C)c1ccc(CN2CCN3CC(F)(F)C[C@H]3C2)cc1 ZINC000828763072 636670928 /nfs/dbraw/zinc/67/09/28/636670928.db2.gz PPPLCXAROXJPPW-HNNXBMFYSA-N 0 1 295.377 2.278 20 10 CECDMN CCC[N@H+](CC(=O)OC)Cc1ccc(F)c(F)c1[O-] ZINC000876512571 650297644 /nfs/dbraw/zinc/29/76/44/650297644.db2.gz SHVOQPMQGNDQCR-UHFFFAOYSA-N 0 1 273.279 2.055 20 10 CECDMN CCC[N@@H+](CC(=O)OC)Cc1ccc(F)c(F)c1[O-] ZINC000876512571 650297647 /nfs/dbraw/zinc/29/76/47/650297647.db2.gz SHVOQPMQGNDQCR-UHFFFAOYSA-N 0 1 273.279 2.055 20 10 CECDMN Cc1cnc(NCc2ccc(N3CCN(C)CC3)cc2)nc1 ZINC000834478788 637842912 /nfs/dbraw/zinc/84/29/12/637842912.db2.gz WLFSBGZLOBECQG-UHFFFAOYSA-N 0 1 297.406 2.149 20 10 CECDMN CCN1C(=O)C(C)(C)N[C@H]1c1cc(Cl)cc(F)c1O ZINC000840838688 639559060 /nfs/dbraw/zinc/55/90/60/639559060.db2.gz RREVSMRAWJNLNJ-LLVKDONJSA-N 0 1 286.734 2.414 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)N(C)C)c(Cl)c1 ZINC000840889517 639573957 /nfs/dbraw/zinc/57/39/57/639573957.db2.gz HFDIOTMERNDMQS-JTQLQIEISA-N 0 1 256.777 2.394 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000840899573 639577545 /nfs/dbraw/zinc/57/75/45/639577545.db2.gz LXMGLPKTNCXPCF-WDEREUQCSA-N 0 1 296.798 2.488 20 10 CECDMN Cc1cc(O)c(CN(C)CCN2CCCC2=O)c(Cl)c1 ZINC000840918814 639585572 /nfs/dbraw/zinc/58/55/72/639585572.db2.gz ZKKXVDKMXSWWCG-UHFFFAOYSA-N 0 1 296.798 2.408 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2CC[NH2+][C@@H](C)C2)c1[O-] ZINC000842473449 640072930 /nfs/dbraw/zinc/07/29/30/640072930.db2.gz KBSCNGSJPGJLCZ-VIFPVBQESA-N 0 1 282.771 2.042 20 10 CECDMN CC(C)C[C@H](N)c1noc(Cc2ccc(N)cc2)n1 ZINC000842588642 640110048 /nfs/dbraw/zinc/11/00/48/640110048.db2.gz NRRLRBZEXFPQRX-LBPRGKRZSA-N 0 1 260.341 2.289 20 10 CECDMN Cc1cc(Br)c([O-])c(CN2CCC[C@H]([NH3+])C2)c1 ZINC000843043858 640244278 /nfs/dbraw/zinc/24/42/78/640244278.db2.gz MCEFREVWBIHRMB-NSHDSACASA-N 0 1 299.212 2.386 20 10 CECDMN CC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)[O-] ZINC000843039321 640246211 /nfs/dbraw/zinc/24/62/11/640246211.db2.gz PIFXOSFBIAYMSJ-QMMMGPOBSA-N 0 1 261.680 2.138 20 10 CECDMN CCOc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000843040932 640247914 /nfs/dbraw/zinc/24/79/14/640247914.db2.gz MGYPSSBPNBPGBE-SMDDNHRTSA-N 0 1 293.363 2.334 20 10 CECDMN Cc1n[nH]c(C(C)C)c1C(=O)NCCc1ccc(N)cc1 ZINC000843343148 640396545 /nfs/dbraw/zinc/39/65/45/640396545.db2.gz UJENBNWZPXFTJC-UHFFFAOYSA-N 0 1 286.379 2.396 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)c1[O-] ZINC000843353771 640400335 /nfs/dbraw/zinc/40/03/35/640400335.db2.gz PSCNPJKPLVRVNW-XPTSAGLGSA-N 0 1 296.798 2.417 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2CC[NH2+][C@@H](C)[C@H]2C)c1[O-] ZINC000843376859 640410281 /nfs/dbraw/zinc/41/02/81/640410281.db2.gz FGAJQTWYHRFXRO-VHSXEESVSA-N 0 1 296.798 2.430 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C[NH3+])C2CC2)c1[O-] ZINC000843387235 640413338 /nfs/dbraw/zinc/41/33/38/640413338.db2.gz QUJITRCPLRKMDD-AWEZNQCLSA-N 0 1 296.798 2.417 20 10 CECDMN CCN1C[C@H](C[NH2+]Cc2c([O-])cccc2Cl)CC1=O ZINC000846094897 641179434 /nfs/dbraw/zinc/17/94/34/641179434.db2.gz UYXPGCANXPXUFD-JTQLQIEISA-N 0 1 282.771 2.004 20 10 CECDMN Cc1cc(C[N@H+](C)C[C@@H](C)C(=O)[O-])ccc1N(C)C ZINC000846226021 641234164 /nfs/dbraw/zinc/23/41/64/641234164.db2.gz WXXCGQVUXSTKNU-GFCCVEGCSA-N 0 1 264.369 2.214 20 10 CECDMN Cc1cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)ccc1N(C)C ZINC000846285071 641260641 /nfs/dbraw/zinc/26/06/41/641260641.db2.gz NLCZCKOHWZSQSM-JSGCOSHPSA-N 0 1 276.380 2.356 20 10 CECDMN CCc1nn(C)cc1CN(C)Cc1ccccc1O ZINC000179770566 641381117 /nfs/dbraw/zinc/38/11/17/641381117.db2.gz HDCFRSPLPCGIAQ-UHFFFAOYSA-N 0 1 259.353 2.320 20 10 CECDMN C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(F)c(F)c1[O-] ZINC000877407467 650709974 /nfs/dbraw/zinc/70/99/74/650709974.db2.gz RHHIUNXDXKYXAW-NXEZZACHSA-N 0 1 270.323 2.195 20 10 CECDMN CCc1cccc(CN2CCN(CC(F)F)CC2)c1O ZINC000848883499 642169026 /nfs/dbraw/zinc/16/90/26/642169026.db2.gz OVXMSDYXYBUCIX-UHFFFAOYSA-N 0 1 284.350 2.337 20 10 CECDMN CC[C@H](C)N(CC(=O)OC)Cc1ccc(C)cc1O ZINC000877496206 650750747 /nfs/dbraw/zinc/75/07/47/650750747.db2.gz OLROGPGJPWGBSM-LBPRGKRZSA-N 0 1 265.353 2.474 20 10 CECDMN c1nn2c(c1CNCc1ccc3c(c1)CCO3)CCC2 ZINC000850111937 642583775 /nfs/dbraw/zinc/58/37/75/642583775.db2.gz SBQNGRTXPMFMDZ-UHFFFAOYSA-N 0 1 269.348 2.054 20 10 CECDMN C[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1ccccc1O ZINC000850499517 642733080 /nfs/dbraw/zinc/73/30/80/642733080.db2.gz QXXCSQYRNQXEQB-JFGNBEQYSA-N 0 1 258.325 2.340 20 10 CECDMN Cc1cc(CN(C)Cc2ccccc2O)nc(C)n1 ZINC000851840886 643185940 /nfs/dbraw/zinc/18/59/40/643185940.db2.gz KVTIYJRDNXUBDX-UHFFFAOYSA-N 0 1 257.337 2.431 20 10 CECDMN CCOC(=O)c1cc(CNCc2ccc(C)cc2O)on1 ZINC000877711667 650865914 /nfs/dbraw/zinc/86/59/14/650865914.db2.gz UCFOGJOIRSAMRG-UHFFFAOYSA-N 0 1 290.319 2.155 20 10 CECDMN C[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(Cl)cc1[O-] ZINC000858523956 645191086 /nfs/dbraw/zinc/19/10/86/645191086.db2.gz ZUKXEPWAIDSOEV-CMPLNLGQSA-N 0 1 284.787 2.027 20 10 CECDMN C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000858545907 645197369 /nfs/dbraw/zinc/19/73/69/645197369.db2.gz WWMGQRLHTWZEBJ-KKZNHRDASA-N 0 1 255.745 2.467 20 10 CECDMN CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000858588179 645215186 /nfs/dbraw/zinc/21/51/86/645215186.db2.gz WQYBOWAAQVFWAV-DTWKUNHWSA-N 0 1 286.759 2.105 20 10 CECDMN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000765794499 645810600 /nfs/dbraw/zinc/81/06/00/645810600.db2.gz CQYHVLIZJBJZRQ-VXGBXAGGSA-N 0 1 282.771 2.050 20 10 CECDMN COc1cccc(O)c1CN1CCN(c2ccccn2)CC1 ZINC000768143706 646088598 /nfs/dbraw/zinc/08/85/98/646088598.db2.gz MPNZTDHDVIBAJX-UHFFFAOYSA-N 0 1 299.374 2.118 20 10 CECDMN CCOc1ccc(CN2CCO[C@@H](CC)C2)c(O)c1 ZINC000768239472 646099522 /nfs/dbraw/zinc/09/95/22/646099522.db2.gz WLVVQIUYECNGLJ-ZDUSSCGKSA-N 0 1 265.353 2.402 20 10 CECDMN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC(C)C ZINC000768438534 646122347 /nfs/dbraw/zinc/12/23/47/646122347.db2.gz BHCUMIAITFTXGE-AWEZNQCLSA-N 0 1 265.353 2.296 20 10 CECDMN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC(C)C ZINC000768438534 646122350 /nfs/dbraw/zinc/12/23/50/646122350.db2.gz BHCUMIAITFTXGE-AWEZNQCLSA-N 0 1 265.353 2.296 20 10 CECDMN CC[C@@H]1CN(Cc2c(O)cccc2OC)C[C@@H](C)O1 ZINC000769104682 646205953 /nfs/dbraw/zinc/20/59/53/646205953.db2.gz JFXRILSZGVRNPA-VXGBXAGGSA-N 0 1 265.353 2.400 20 10 CECDMN CC[C@@H](CO)N(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862382688 646428039 /nfs/dbraw/zinc/42/80/39/646428039.db2.gz WRLUHDZOKLCPSY-NSHDSACASA-N 0 1 272.339 2.234 20 10 CECDMN CCn1nccc1CNCc1ccc(N(C)C)c(F)c1 ZINC000118979052 646515747 /nfs/dbraw/zinc/51/57/47/646515747.db2.gz LAWOIZFKLYTJOT-UHFFFAOYSA-N 0 1 276.359 2.398 20 10 CECDMN CN(C)c1ccc(CN(C)Cc2cnc(N)s2)cc1 ZINC000771934890 646573136 /nfs/dbraw/zinc/57/31/36/646573136.db2.gz GBVXKGGQSIYJFN-UHFFFAOYSA-N 0 1 276.409 2.423 20 10 CECDMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1O ZINC000863526037 646747228 /nfs/dbraw/zinc/74/72/28/646747228.db2.gz JMWZSGGTDIHCTL-GFCCVEGCSA-N 0 1 251.326 2.323 20 10 CECDMN CCN(C)c1ccc(CN(C)Cc2cn[nH]c2)cc1 ZINC000773785619 646776051 /nfs/dbraw/zinc/77/60/51/646776051.db2.gz MLMGITKDPWRJBQ-UHFFFAOYSA-N 0 1 258.369 2.498 20 10 CECDMN CCN(C)c1ccc(CN2CCCC3(C2)OCCO3)cc1 ZINC000773792671 646776211 /nfs/dbraw/zinc/77/62/11/646776211.db2.gz LMPUWGMOKKYZBJ-UHFFFAOYSA-N 0 1 290.407 2.482 20 10 CECDMN CC[C@H]([NH2+]CCOCCO)c1cc(Cl)ccc1[O-] ZINC000775485536 646959219 /nfs/dbraw/zinc/95/92/19/646959219.db2.gz WAPKQNXGPCIBDW-LBPRGKRZSA-N 0 1 273.760 2.095 20 10 CECDMN CC[C@H]([NH2+]CCS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000775496592 646960550 /nfs/dbraw/zinc/96/05/50/646960550.db2.gz JUAIRPSCFOXECO-NSHDSACASA-N 0 1 291.800 2.131 20 10 CECDMN COc1ccc(O)c(CNCc2cn(C3CC3)cn2)c1 ZINC000865462754 647305392 /nfs/dbraw/zinc/30/53/92/647305392.db2.gz ACAQUUSIDOSSRC-UHFFFAOYSA-N 0 1 273.336 2.222 20 10 CECDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1c([O-])cccc1Cl ZINC000787423984 648108475 /nfs/dbraw/zinc/10/84/75/648108475.db2.gz OPKQROCPRMGDAK-RULNRJAQSA-N 0 1 294.782 2.131 20 10 CECDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1c([O-])cccc1Cl ZINC000787423984 648108477 /nfs/dbraw/zinc/10/84/77/648108477.db2.gz OPKQROCPRMGDAK-RULNRJAQSA-N 0 1 294.782 2.131 20 10 CECDMN COC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000788535237 648200236 /nfs/dbraw/zinc/20/02/36/648200236.db2.gz LDYMXEWHRVILTE-GXTWGEPZSA-N 0 1 285.771 2.329 20 10 CECDMN CCOc1ccc(O)c(CN(C)Cc2cnn(C)c2C)c1 ZINC000790937152 648461967 /nfs/dbraw/zinc/46/19/67/648461967.db2.gz KJYQCGTZZBUTSQ-UHFFFAOYSA-N 0 1 289.379 2.465 20 10 CECDMN CC(C)[N@@H+](CCO)Cc1c([O-])ccc(Cl)c1F ZINC000792156856 648616199 /nfs/dbraw/zinc/61/61/99/648616199.db2.gz OSCZXZRPVQUMNS-UHFFFAOYSA-N 0 1 261.724 2.387 20 10 CECDMN O=C1OCC[C@@H]1CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000873160447 649575009 /nfs/dbraw/zinc/57/50/09/649575009.db2.gz CDUGNDRQQKLKQP-JTQLQIEISA-N 0 1 283.755 2.479 20 10 CECDMN CCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)[O-])C1CC1 ZINC000873640906 649716544 /nfs/dbraw/zinc/71/65/44/649716544.db2.gz LHYPSPZJLYWUPR-AWEZNQCLSA-N 0 1 263.337 2.467 20 10 CECDMN C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(C)C ZINC000874240005 649756218 /nfs/dbraw/zinc/75/62/18/649756218.db2.gz KTEAHUFELCISSJ-CQSZACIVSA-N 0 1 289.423 2.243 20 10 CECDMN C[C@@H](NCc1cn(CC2CC2)nn1)c1ccccc1O ZINC000879648844 651335208 /nfs/dbraw/zinc/33/52/08/651335208.db2.gz BWDLVGWWGNBMKN-LLVKDONJSA-N 0 1 272.352 2.245 20 10 CECDMN Cc1nnc(CN[C@@H](C)c2ccccc2O)n1C1CC1 ZINC000879650561 651335562 /nfs/dbraw/zinc/33/55/62/651335562.db2.gz HHNIHFBKVJDNMM-JTQLQIEISA-N 0 1 272.352 2.478 20 10 CECDMN CC1(C)COCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000130878477 652350652 /nfs/dbraw/zinc/35/06/52/652350652.db2.gz SZFBLJWYZWDYIT-UHFFFAOYSA-N 0 1 290.407 2.134 20 10 CECDMN CCOc1cccc(CN2CCOC[C@@H]2CC)c1O ZINC000132346772 652514799 /nfs/dbraw/zinc/51/47/99/652514799.db2.gz RENUKPLDJDRUKI-ZDUSSCGKSA-N 0 1 265.353 2.402 20 10 CECDMN CCOc1cccc(CN2CCOC[C@H]2CC)c1O ZINC000132346557 652514812 /nfs/dbraw/zinc/51/48/12/652514812.db2.gz RENUKPLDJDRUKI-CYBMUJFWSA-N 0 1 265.353 2.402 20 10 CECDMN [O-]c1cc(F)c(F)cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001142520757 806614451 /nfs/dbraw/zinc/61/44/51/806614451.db2.gz PIIMIILEGNQSAD-LBPRGKRZSA-N 0 1 282.334 2.341 20 10 CECDMN [O-]c1cc(F)c(F)cc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001142520757 806614454 /nfs/dbraw/zinc/61/44/54/806614454.db2.gz PIIMIILEGNQSAD-LBPRGKRZSA-N 0 1 282.334 2.341 20 10 CECDMN COC(=O)[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])CC12CC2 ZINC001142534242 806623627 /nfs/dbraw/zinc/62/36/27/806623627.db2.gz BBZCOTDNFSEEST-SNVBAGLBSA-N 0 1 297.301 2.055 20 10 CECDMN C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1[O-])N(C)C ZINC000703379320 809645226 /nfs/dbraw/zinc/64/52/26/809645226.db2.gz HZKBJPPGVVMHQE-VIFPVBQESA-N 0 1 258.312 2.100 20 10 CECDMN CN1CCN(c2ccc(CNc3cccnc3)cc2)CC1 ZINC001167431207 802806228 /nfs/dbraw/zinc/80/62/28/802806228.db2.gz MHAYUELEAJBPSW-UHFFFAOYSA-N 0 1 282.391 2.446 20 10 CECDMN COC(=O)CN(Cc1cc(F)cc(F)c1O)CC(C)C ZINC001119507262 815122581 /nfs/dbraw/zinc/12/25/81/815122581.db2.gz CKTGQIYITCOVHU-UHFFFAOYSA-N 0 1 287.306 2.301 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@H](O)C(F)F ZINC000716745090 815145527 /nfs/dbraw/zinc/14/55/27/815145527.db2.gz IROFUCQLKQBEFJ-JTQLQIEISA-N 0 1 265.687 2.151 20 10 CECDMN Cc1cc(CN2CCNC(=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000125203023 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CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137837909 815692623 /nfs/dbraw/zinc/69/26/23/815692623.db2.gz YPJWLGJJVIEMTN-LLVKDONJSA-N 0 1 281.327 2.306 20 10 CECDMN CC[N@@H+](CCn1ccnc1)Cc1cccc(F)c1[O-] ZINC001138129558 815734474 /nfs/dbraw/zinc/73/44/74/815734474.db2.gz KDKWWWCMEPJYNS-UHFFFAOYSA-N 0 1 263.316 2.250 20 10 CECDMN CC[N@@H+]1CCN(Cc2cccc(F)c2[O-])C(C)(C)C1 ZINC001138130519 815735943 /nfs/dbraw/zinc/73/59/43/815735943.db2.gz BQYZSXAVAADGOW-UHFFFAOYSA-N 0 1 266.360 2.447 20 10 CECDMN CC[N@H+]1CCN(Cc2cccc(F)c2[O-])C(C)(C)C1 ZINC001138130519 815735951 /nfs/dbraw/zinc/73/59/51/815735951.db2.gz BQYZSXAVAADGOW-UHFFFAOYSA-N 0 1 266.360 2.447 20 10 CECDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@H](F)C1 ZINC001139127407 815965326 /nfs/dbraw/zinc/96/53/26/815965326.db2.gz VWYTZOUVJADLEC-JTQLQIEISA-N 0 1 277.295 2.351 20 10 CECDMN Cc1cc(CN2CCOC3(CC3)C2)ccc1N(C)C ZINC001139673185 816076203 /nfs/dbraw/zinc/07/62/03/816076203.db2.gz BSNLBKMQHGCXSX-UHFFFAOYSA-N 0 1 260.381 2.426 20 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O=C([O-])NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000834221716 605569341 /nfs/dbraw/zinc/56/93/41/605569341.db2.gz WTIZCFGJLUYLLQ-GFCCVEGCSA-N 0 1 282.315 2.153 20 10 CECDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000833816542 605691871 /nfs/dbraw/zinc/69/18/71/605691871.db2.gz ZPGGPCAAZIQHGX-VXGBXAGGSA-N 0 1 278.352 2.260 20 10 CECDMN CC(=O)N1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000089710494 623467582 /nfs/dbraw/zinc/46/75/82/623467582.db2.gz QCRFWIJQMHPSPC-UHFFFAOYSA-N 0 1 282.771 2.146 20 10 CECDMN CCOCc1cc(CNCc2cncn2C)ccc1OC ZINC000289937624 623535180 /nfs/dbraw/zinc/53/51/80/623535180.db2.gz UCVSCFWNGJAGBO-UHFFFAOYSA-N 0 1 289.379 2.255 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000051991985 624725168 /nfs/dbraw/zinc/72/51/68/624725168.db2.gz MKZZKCWSHOHZHN-AAEUAGOBSA-N 0 1 255.745 2.439 20 10 CECDMN O=C(NCc1ccccc1O)c1ccc(F)cc1O ZINC000228309573 628140266 /nfs/dbraw/zinc/14/02/66/628140266.db2.gz JQQHHQZFEHTWIG-UHFFFAOYSA-N 0 1 261.252 2.167 20 10 CECDMN C[C@H]([NH2+]CCCON)c1cc(Br)ccc1[O-] ZINC000902426157 634647971 /nfs/dbraw/zinc/64/79/71/634647971.db2.gz RNUXVTMILKKHEF-QMMMGPOBSA-N 0 1 289.173 2.086 20 10 CECDMN O=C1OCC[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])CCN12 ZINC000775745583 628334869 /nfs/dbraw/zinc/33/48/69/628334869.db2.gz YBWMXBHBTSDYQR-LLVKDONJSA-N 0 1 296.754 2.072 20 10 CECDMN O=C1OCC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCN12 ZINC000775745583 628334872 /nfs/dbraw/zinc/33/48/72/628334872.db2.gz YBWMXBHBTSDYQR-LLVKDONJSA-N 0 1 296.754 2.072 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c(Cl)c1 ZINC000840940750 628774902 /nfs/dbraw/zinc/77/49/02/628774902.db2.gz FEZJHDDXNYHYJK-RYUDHWBXSA-N 0 1 299.798 2.089 20 10 CECDMN C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1cc(F)cc(F)c1O ZINC000894039690 629098050 /nfs/dbraw/zinc/09/80/50/629098050.db2.gz LMFGNKMLKNNIBK-BLBZPCKPSA-N 0 1 289.347 2.012 20 10 CECDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894050395 629103674 /nfs/dbraw/zinc/10/36/74/629103674.db2.gz ONHAPHIALZTXSH-NSHDSACASA-N 0 1 285.290 2.198 20 10 CECDMN CC[C@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000178735878 629144809 /nfs/dbraw/zinc/14/48/09/629144809.db2.gz KQNQESFJVWZPKV-AWEZNQCLSA-N 0 1 291.439 2.441 20 10 CECDMN C[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H](C)[S@@]1=O ZINC000894552543 629531062 /nfs/dbraw/zinc/53/10/62/629531062.db2.gz UWSATXCKUVOODI-MCCHPSBSSA-N 0 1 289.347 2.012 20 10 CECDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894881541 629716428 /nfs/dbraw/zinc/71/64/28/629716428.db2.gz RAPAECIJJAAWOY-TVQRCGJNSA-N 0 1 271.307 2.263 20 10 CECDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000895260856 630066823 /nfs/dbraw/zinc/06/68/23/630066823.db2.gz SWNTZZHSWKPGMU-HNNXBMFYSA-N 0 1 283.318 2.407 20 10 CECDMN Cc1cc(O)c(CN2CCCn3nncc3C2)cc1C ZINC000895757087 630333149 /nfs/dbraw/zinc/33/31/49/630333149.db2.gz PROQCIQUGMCUFM-UHFFFAOYSA-N 0 1 272.352 2.006 20 10 CECDMN COCC1CN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000895971524 630424016 /nfs/dbraw/zinc/42/40/16/630424016.db2.gz SAKASONCZSYVJE-UHFFFAOYSA-N 0 1 271.744 2.132 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H]2COC[C@H]2C)cc1Cl ZINC000896732568 630651893 /nfs/dbraw/zinc/65/18/93/630651893.db2.gz IMRUGQXHSQUVCA-BXKDBHETSA-N 0 1 255.745 2.479 20 10 CECDMN Cc1cccc(CN2CCC[C@@H](S(C)(=O)=O)CC2)c1O ZINC000800534163 631132946 /nfs/dbraw/zinc/13/29/46/631132946.db2.gz XHFNDGWBMWDILT-CQSZACIVSA-N 0 1 297.420 2.100 20 10 CECDMN CN(C)c1ccc(CN(C)C(=O)[C@@H](N)c2ccccc2)cc1 ZINC000193934372 631215082 /nfs/dbraw/zinc/21/50/82/631215082.db2.gz DGWYUAVHISKGGM-KRWDZBQOSA-N 0 1 297.402 2.411 20 10 CECDMN CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000219079465 631249226 /nfs/dbraw/zinc/24/92/26/631249226.db2.gz PXKDMIKATLSBNK-QPUJVOFHSA-N 0 1 275.801 2.248 20 10 CECDMN C[C@@H](NC(=O)CN1CCCC1)c1ccc(N(C)C)cc1 ZINC000822081783 634846958 /nfs/dbraw/zinc/84/69/58/634846958.db2.gz GXGFJDZLENSKKO-CYBMUJFWSA-N 0 1 275.396 2.026 20 10 CECDMN C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1O ZINC000897681186 631865854 /nfs/dbraw/zinc/86/58/54/631865854.db2.gz YRUSVPLOFDNCNC-IAQYHMDHSA-N 0 1 257.333 2.358 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@H]1O ZINC000897681186 631865861 /nfs/dbraw/zinc/86/58/61/631865861.db2.gz YRUSVPLOFDNCNC-IAQYHMDHSA-N 0 1 257.333 2.358 20 10 CECDMN Oc1c(CN2CC[C@H](O)[C@H](F)C2)ccc2ccccc21 ZINC000898189555 632103829 /nfs/dbraw/zinc/10/38/29/632103829.db2.gz VJNWXDXCKLMTJM-CABCVRRESA-N 0 1 275.323 2.450 20 10 CECDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)C1CC1 ZINC000809752420 632140913 /nfs/dbraw/zinc/14/09/13/632140913.db2.gz RSFQVOLPLZQKCL-ZDUSSCGKSA-N 0 1 255.745 2.248 20 10 CECDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)C1CC1 ZINC000809752420 632140917 /nfs/dbraw/zinc/14/09/17/632140917.db2.gz RSFQVOLPLZQKCL-ZDUSSCGKSA-N 0 1 255.745 2.248 20 10 CECDMN CC[C@H](CO)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683986 632724603 /nfs/dbraw/zinc/72/46/03/632724603.db2.gz BPCPXZQMTCSHBT-SSDOTTSWSA-N 0 1 292.162 2.334 20 10 CECDMN C[N@H+]1C[C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)[C@@H]2C1 ZINC000814173941 632801069 /nfs/dbraw/zinc/80/10/69/632801069.db2.gz TVURJFXIDPQTCX-BXKDBHETSA-N 0 1 284.762 2.321 20 10 CECDMN Cc1cc(C)c([C@@H](C)NCc2nnnn2C2CC2)c(O)c1 ZINC000815595512 633035621 /nfs/dbraw/zinc/03/56/21/633035621.db2.gz TVVHXOCZGKFOHL-LLVKDONJSA-N 0 1 287.367 2.181 20 10 CECDMN CN1CCO[C@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]21 ZINC000816514933 633404748 /nfs/dbraw/zinc/40/47/48/633404748.db2.gz KTSFBLDWXIBPIH-IRXDYDNUSA-N 0 1 298.386 2.060 20 10 CECDMN CN1CCO[C@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]21 ZINC000816514933 633404752 /nfs/dbraw/zinc/40/47/52/633404752.db2.gz KTSFBLDWXIBPIH-IRXDYDNUSA-N 0 1 298.386 2.060 20 10 CECDMN C[C@H](C[S@](C)=O)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816568056 633414422 /nfs/dbraw/zinc/41/44/22/633414422.db2.gz VDBVPBNUKLQHIZ-WYRIXSBYSA-N 0 1 277.389 2.402 20 10 CECDMN C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816593870 633419783 /nfs/dbraw/zinc/41/97/83/633419783.db2.gz HEYKCSKSDSIXEY-SJCJKPOMSA-N 0 1 287.359 2.175 20 10 CECDMN CC(C)(C[NH2+]Cc1ccc2ccccc2c1[O-])OCCO ZINC000816613596 633421623 /nfs/dbraw/zinc/42/16/23/633421623.db2.gz ZASPBCANRRCZBN-UHFFFAOYSA-N 0 1 289.375 2.423 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CC2(CC(N)=O)CC2)c(Cl)c1 ZINC000817411114 633651074 /nfs/dbraw/zinc/65/10/74/633651074.db2.gz NDAYSWUHXAMMBV-UHFFFAOYSA-N 0 1 282.771 2.099 20 10 CECDMN CON1CCC([NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000817418360 633656493 /nfs/dbraw/zinc/65/64/93/633656493.db2.gz NJFOBBJJXWTFLY-UHFFFAOYSA-N 0 1 284.787 2.469 20 10 CECDMN C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1[O-] ZINC000817981652 633824640 /nfs/dbraw/zinc/82/46/40/633824640.db2.gz UKWGFOPJXKPFFE-PELKAZGASA-N 0 1 274.286 2.179 20 10 CECDMN COc1ccc(CN[C@@H]2CCN(C(C)(C)C)C2=O)cc1C ZINC000818112285 633872071 /nfs/dbraw/zinc/87/20/71/633872071.db2.gz ZIOZWANPCQFKQB-CQSZACIVSA-N 0 1 290.407 2.493 20 10 CECDMN COc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC000818631631 633967723 /nfs/dbraw/zinc/96/77/23/633967723.db2.gz LQKRPPRBQAKOMF-QMTHXVAHSA-N 0 1 279.336 2.086 20 10 CECDMN Oc1cc(Br)ccc1CN1CCC[C@@H](O)C1 ZINC000824491008 635435024 /nfs/dbraw/zinc/43/50/24/635435024.db2.gz LDUPVJSPNUNLGJ-LLVKDONJSA-N 0 1 286.169 2.111 20 10 CECDMN C[N@@H+](Cc1ccc(Br)cc1O)CC(C)(C)O ZINC000824814309 635503282 /nfs/dbraw/zinc/50/32/82/635503282.db2.gz PGRDSYXYTIBQJR-UHFFFAOYSA-N 0 1 288.185 2.357 20 10 CECDMN C[N@H+](Cc1ccc(Br)cc1[O-])CC(C)(C)O ZINC000824814309 635503286 /nfs/dbraw/zinc/50/32/86/635503286.db2.gz PGRDSYXYTIBQJR-UHFFFAOYSA-N 0 1 288.185 2.357 20 10 CECDMN C[N@@H+](Cc1ccc(Br)cc1[O-])CC(C)(C)O ZINC000824814309 635503289 /nfs/dbraw/zinc/50/32/89/635503289.db2.gz PGRDSYXYTIBQJR-UHFFFAOYSA-N 0 1 288.185 2.357 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCCN2CCOCC2)cc1Cl ZINC000825043777 635547385 /nfs/dbraw/zinc/54/73/85/635547385.db2.gz KBVARTAAPJNKOJ-UHFFFAOYSA-N 0 1 298.814 2.166 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)COCC2CC2)cc1Cl ZINC000825197868 635590307 /nfs/dbraw/zinc/59/03/07/635590307.db2.gz WJGAGXNASPBRSG-CYBMUJFWSA-N 0 1 299.798 2.231 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@H](C)CO)cc1Cl ZINC000825297699 635608002 /nfs/dbraw/zinc/60/80/02/635608002.db2.gz LHFZXYACTHRGIC-NXEZZACHSA-N 0 1 257.761 2.461 20 10 CECDMN O=C1OCCN1[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000827001040 636185817 /nfs/dbraw/zinc/18/58/17/636185817.db2.gz RONFDGVBVZTHRF-NSHDSACASA-N 0 1 296.754 2.072 20 10 CECDMN O=C1CC[C@@H]2C[N@H+](Cc3c([O-])cccc3Cl)CC[C@@H]2N1 ZINC000827133908 636229953 /nfs/dbraw/zinc/22/99/53/636229953.db2.gz XUHDXGXXWROJPD-MFKMUULPSA-N 0 1 294.782 2.146 20 10 CECDMN O=C1CC[C@@H]2C[N@@H+](Cc3c([O-])cccc3Cl)CC[C@@H]2N1 ZINC000827133908 636229956 /nfs/dbraw/zinc/22/99/56/636229956.db2.gz XUHDXGXXWROJPD-MFKMUULPSA-N 0 1 294.782 2.146 20 10 CECDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)c1ccccc1O ZINC000827952599 636469203 /nfs/dbraw/zinc/46/92/03/636469203.db2.gz YGNIEGWPDLIQTH-GHMZBOCLSA-N 0 1 273.336 2.171 20 10 CECDMN Oc1c(CN2CCC[C@H]2c2ncon2)ccc(F)c1F ZINC000876663235 650385728 /nfs/dbraw/zinc/38/57/28/650385728.db2.gz YVMVSWZTLIAMOS-JTQLQIEISA-N 0 1 281.262 2.391 20 10 CECDMN O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C[C@@H]2CCCCN12 ZINC000835074288 638048666 /nfs/dbraw/zinc/04/86/66/638048666.db2.gz RIRYXUHCRIWKOR-STQMWFEESA-N 0 1 294.782 2.289 20 10 CECDMN CC[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1cc(Cl)ccc1[O-] ZINC000840833750 639556527 /nfs/dbraw/zinc/55/65/27/639556527.db2.gz PJKRJVYMUUFRQM-JOYOIKCWSA-N 0 1 282.771 2.222 20 10 CECDMN Cc1cc(N(C)C)ccc1CN(C)CC(=O)N1CCCC1 ZINC000840910645 639582195 /nfs/dbraw/zinc/58/21/95/639582195.db2.gz VLJTYBFQKVSZIP-UHFFFAOYSA-N 0 1 289.423 2.115 20 10 CECDMN Cc1cc(N(C)C)ccc1CN1CCC[C@@]12CCOC2=O ZINC000840937577 639592311 /nfs/dbraw/zinc/59/23/11/639592311.db2.gz KCSBMADISBFVNP-KRWDZBQOSA-N 0 1 288.391 2.343 20 10 CECDMN COc1cc(Cl)cc(C[N@H+](CC(=O)[O-])CC2CC2)c1O ZINC000229118188 639677273 /nfs/dbraw/zinc/67/72/73/639677273.db2.gz NWBNQIVDLLYNOL-UHFFFAOYSA-N 0 1 299.754 2.351 20 10 CECDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccn[nH]1 ZINC000172712396 639790216 /nfs/dbraw/zinc/79/02/16/639790216.db2.gz AJUBEDNXGTVSRD-UHFFFAOYSA-N 0 1 286.379 2.067 20 10 CECDMN Cn1nccc1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000231033868 639824278 /nfs/dbraw/zinc/82/42/78/639824278.db2.gz KIVHSTNSHXLQTK-UHFFFAOYSA-N 0 1 265.744 2.111 20 10 CECDMN C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841745735 639856646 /nfs/dbraw/zinc/85/66/46/639856646.db2.gz ACAPMDFTYQNGHX-NEPJUHHUSA-N 0 1 298.814 2.417 20 10 CECDMN CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745313 639857241 /nfs/dbraw/zinc/85/72/41/639857241.db2.gz XHHWYAKLABWUSS-RKDXNWHRSA-N 0 1 270.760 2.221 20 10 CECDMN COc1ccc(O)c([C@H](C)NC(=O)C(F)(F)F)c1 ZINC000104900909 640176220 /nfs/dbraw/zinc/17/62/20/640176220.db2.gz AFOCLOWQGWNKKO-LURJTMIESA-N 0 1 263.215 2.140 20 10 CECDMN COc1ccc(O)c(CN2CCOC[C@H]2C2CCC2)c1 ZINC000843427957 640426618 /nfs/dbraw/zinc/42/66/18/640426618.db2.gz DSYJJFPNRFWJCG-HNNXBMFYSA-N 0 1 277.364 2.402 20 10 CECDMN CC(=O)NCC[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000843428199 640427734 /nfs/dbraw/zinc/42/77/34/640427734.db2.gz SEGZSJQYAGECBT-UHFFFAOYSA-N 0 1 272.348 2.113 20 10 CECDMN CC(=O)NCC[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000843428199 640427735 /nfs/dbraw/zinc/42/77/35/640427735.db2.gz SEGZSJQYAGECBT-UHFFFAOYSA-N 0 1 272.348 2.113 20 10 CECDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnccc1N ZINC000843488069 640440993 /nfs/dbraw/zinc/44/09/93/640440993.db2.gz PFUUEVBGWVZEMW-UHFFFAOYSA-N 0 1 298.390 2.222 20 10 CECDMN COC(=O)c1cnc(SCc2[nH]ncc2C)s1 ZINC000917778760 640916910 /nfs/dbraw/zinc/91/69/10/640916910.db2.gz SZXQOQODXLGQNG-UHFFFAOYSA-N 0 1 269.351 2.254 20 10 CECDMN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc2[nH]nnc2c1 ZINC000181165603 641518052 /nfs/dbraw/zinc/51/80/52/641518052.db2.gz SMDRPLWZPIVBNE-QHHAFSJGSA-N 0 1 296.286 2.021 20 10 CECDMN CC[C@@H]1C(=O)N(CC)CCN1Cc1ccc(C)cc1O ZINC000877440517 650723100 /nfs/dbraw/zinc/72/31/00/650723100.db2.gz AWSUORYMUPQXCL-CQSZACIVSA-N 0 1 276.380 2.143 20 10 CECDMN CCc1cccc(CN2CCN(C)C(=O)C2(C)C)c1O ZINC000848888455 642173651 /nfs/dbraw/zinc/17/36/51/642173651.db2.gz ULPBSTWLFBKTHA-UHFFFAOYSA-N 0 1 276.380 2.007 20 10 CECDMN Cc1cccc(O)c1CN1CCNC(=O)[C@@H]1CC(C)C ZINC000877461251 650729597 /nfs/dbraw/zinc/72/95/97/650729597.db2.gz CHKCVNACVTTWDF-AWEZNQCLSA-N 0 1 276.380 2.047 20 10 CECDMN COc1cccc(CN2CC3(CC3(F)F)C2)c1O ZINC000848922270 642194322 /nfs/dbraw/zinc/19/43/22/642194322.db2.gz PPLZHCZTDCEMOM-UHFFFAOYSA-N 0 1 255.264 2.242 20 10 CECDMN Cc1noc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])n1 ZINC000877470598 650736795 /nfs/dbraw/zinc/73/67/95/650736795.db2.gz KMGOXPVKRXKUBG-ZCFIWIBFSA-N 0 1 269.251 2.213 20 10 CECDMN CC(C)COC(=O)[C@H](C)NCc1ccc(F)c(F)c1O ZINC000877469581 650735681 /nfs/dbraw/zinc/73/56/81/650735681.db2.gz QNBMATXPFWVFIK-VIFPVBQESA-N 0 1 287.306 2.348 20 10 CECDMN C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(F)c(F)c1[O-])CCO2 ZINC000877485887 650744468 /nfs/dbraw/zinc/74/44/68/650744468.db2.gz BUVXUUNFQVFSMY-ZUZCIYMTSA-N 0 1 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255.745 2.248 20 10 CECDMN C[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140461027 816258643 /nfs/dbraw/zinc/25/86/43/816258643.db2.gz BRDRVUQXFNWFBL-CABZTGNLSA-N 0 1 255.745 2.248 20 10 CECDMN [O-]c1cc(Cl)ccc1C[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001140462905 816260990 /nfs/dbraw/zinc/26/09/90/816260990.db2.gz NWUBCWBUTPUJDL-ZDUSSCGKSA-N 0 1 297.782 2.161 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001140582223 816290360 /nfs/dbraw/zinc/29/03/60/816290360.db2.gz FERDCYFBJOKJSZ-AWEZNQCLSA-N 0 1 269.291 2.425 20 10 CECDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140582406 816291645 /nfs/dbraw/zinc/29/16/45/816291645.db2.gz IGBAXKUQWSEBNX-SECBINFHSA-N 0 1 285.290 2.055 20 10 CECDMN COC(=O)[C@]1(C)CCC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583554 816292281 /nfs/dbraw/zinc/29/22/81/816292281.db2.gz LGQZAPLJSWIGRX-OAHLLOKOSA-N 0 1 299.317 2.446 20 10 CECDMN COC(=O)CC[C@@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583867 816292755 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CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](C)O ZINC000179619008 368345282 /nfs/dbraw/zinc/34/52/82/368345282.db2.gz LIFGMVFNYSNHOB-SECBINFHSA-N 0 1 288.185 2.357 20 10 CECDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](C)O ZINC000179619008 368345285 /nfs/dbraw/zinc/34/52/85/368345285.db2.gz LIFGMVFNYSNHOB-SECBINFHSA-N 0 1 288.185 2.357 20 10 CECDMN CC(C)N(CC(N)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000179656981 368347004 /nfs/dbraw/zinc/34/70/04/368347004.db2.gz CRLUKLLLNOJPCJ-UHFFFAOYSA-N 0 1 289.423 2.373 20 10 CECDMN C[NH+](Cc1cc(F)ccc1O)C[C@H]1CCC[N@H+](C)C1 ZINC000179938717 368360426 /nfs/dbraw/zinc/36/04/26/368360426.db2.gz QBDLKILEQXGTSS-LBPRGKRZSA-N 0 1 266.360 2.305 20 10 CECDMN C[NH+](Cc1cc(F)ccc1O)C[C@H]1CCC[N@@H+](C)C1 ZINC000179938717 368360428 /nfs/dbraw/zinc/36/04/28/368360428.db2.gz QBDLKILEQXGTSS-LBPRGKRZSA-N 0 1 266.360 2.305 20 10 CECDMN C[C@@H]([NH2+]CCCN(C)C)c1ccc(F)c(F)c1[O-] ZINC000191181524 369688010 /nfs/dbraw/zinc/68/80/10/369688010.db2.gz GTTGTFSAYUBDTA-SECBINFHSA-N 0 1 258.312 2.273 20 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YQDCMIRDHZZZIN-MWLCHTKSSA-N 0 1 275.327 2.463 20 10 CECDMN COc1cccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c1O ZINC000272632783 373592963 /nfs/dbraw/zinc/59/29/63/373592963.db2.gz NILHDQHRPQYXIJ-GXTWGEPZSA-N 0 1 279.380 2.384 20 10 CECDMN CCc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000275026442 374130782 /nfs/dbraw/zinc/13/07/82/374130782.db2.gz VIRILXUFRVCXGT-NSHDSACASA-N 0 1 273.384 2.284 20 10 CECDMN COCC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000281587931 375387990 /nfs/dbraw/zinc/38/79/90/375387990.db2.gz LMJNZTBEWUDCCL-KOLCDFICSA-N 0 1 273.760 2.094 20 10 CECDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCC[C@H]1O ZINC000289526437 376397961 /nfs/dbraw/zinc/39/79/61/376397961.db2.gz HIXAYIXJWHTHIE-VXGBXAGGSA-N 0 1 255.745 2.391 20 10 CECDMN CC(C)c1nnc(CN[C@@H]2CCc3cccc(O)c32)[nH]1 ZINC000296595188 378585602 /nfs/dbraw/zinc/58/56/02/378585602.db2.gz VFIVVLBHYTXKAF-LLVKDONJSA-N 0 1 272.352 2.411 20 10 CECDMN Oc1cccc2c1[C@@H](NCc1nnc3n1CCCCC3)CC2 ZINC000296081235 285396827 /nfs/dbraw/zinc/39/68/27/285396827.db2.gz SPWWJESOMPBRQT-ZDUSSCGKSA-N 0 1 298.390 2.487 20 10 CECDMN O=C([O-])CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000121042620 394790827 /nfs/dbraw/zinc/79/08/27/394790827.db2.gz RNAOGPLEJVTHRW-AWEZNQCLSA-N 0 1 293.363 2.238 20 10 CECDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C)C1 ZINC000336403883 394851633 /nfs/dbraw/zinc/85/16/33/394851633.db2.gz QEBVAOFCFKZSJL-UHFFFAOYSA-N 0 1 299.418 2.496 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000153729527 395016931 /nfs/dbraw/zinc/01/69/31/395016931.db2.gz VJXNEIFKSOSLIL-INIZCTEOSA-N 0 1 293.338 2.346 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000153729527 395016934 /nfs/dbraw/zinc/01/69/34/395016934.db2.gz VJXNEIFKSOSLIL-INIZCTEOSA-N 0 1 293.338 2.346 20 10 CECDMN C[C@@H]([NH2+]C[C@H](C)O)c1cc(Br)ccc1[O-] ZINC000134835036 394959394 /nfs/dbraw/zinc/95/93/94/394959394.db2.gz NWZHVBGMCUEXMR-JGVFFNPUSA-N 0 1 274.158 2.186 20 10 CECDMN CN(C)c1ccc(C2=CCN(C(=O)c3ccn[nH]3)C2)cc1 ZINC000374275439 395078603 /nfs/dbraw/zinc/07/86/03/395078603.db2.gz UUXQMMPUWHVVHE-UHFFFAOYSA-N 0 1 282.347 2.015 20 10 CECDMN Cc1cc(C(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000374285143 395079598 /nfs/dbraw/zinc/07/95/98/395079598.db2.gz XSGBOSMCTJETEY-UHFFFAOYSA-N 0 1 296.374 2.324 20 10 CECDMN Cc1cccc(CN2CC[S@](=O)CC[C@@H]2C)c1O ZINC000375929783 395104282 /nfs/dbraw/zinc/10/42/82/395104282.db2.gz DJIQVVYAFOMNHW-KPZWWZAWSA-N 0 1 267.394 2.044 20 10 CECDMN CCOc1cccc(CN2CCCC3(C2)OCCO3)c1O ZINC000182077971 395232832 /nfs/dbraw/zinc/23/28/32/395232832.db2.gz JZPNWFNTWVXCSR-UHFFFAOYSA-N 0 1 293.363 2.130 20 10 CECDMN CCCc1cc(NC(=O)c2c(F)ccc(O)c2O)n(C)n1 ZINC000297519532 395345838 /nfs/dbraw/zinc/34/58/38/395345838.db2.gz OKJOSBLZBOMICG-UHFFFAOYSA-N 0 1 293.298 2.175 20 10 CECDMN C[C@H]1OCC[C@@]12CN(Cc1ccc(N(C)C)cc1)CCO2 ZINC000280404249 263061369 /nfs/dbraw/zinc/06/13/69/263061369.db2.gz LBLTXDBKEHUNTL-RHSMWYFYSA-N 0 1 290.407 2.132 20 10 CECDMN C[N@@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCCCNC1=O ZINC000367725073 267113679 /nfs/dbraw/zinc/11/36/79/267113679.db2.gz RCDGQFZHILSYSC-LBPRGKRZSA-N 0 1 282.771 2.146 20 10 CECDMN CC[C@H](c1ccccc1O)N1CCOC[C@@]12CCOC2 ZINC000370736814 267343159 /nfs/dbraw/zinc/34/31/59/267343159.db2.gz HCJLVHMEJJYBNH-ZBFHGGJFSA-N 0 1 277.364 2.335 20 10 CECDMN C[C@H](NCc1ccc2c(c1)CCN2C)c1ccc(=O)[nH]n1 ZINC000367620616 328932725 /nfs/dbraw/zinc/93/27/25/328932725.db2.gz QFRKREUKJMCKSQ-NSHDSACASA-N 0 1 284.363 2.025 20 10 CECDMN CCOC(=O)N1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000180016265 329214466 /nfs/dbraw/zinc/21/44/66/329214466.db2.gz HOLHSHRXTVNFQO-UHFFFAOYSA-N 0 1 296.342 2.196 20 10 CECDMN CN(Cc1n[nH]c(C(C)(C)C)n1)c1ccc2c(c1)OCO2 ZINC000292853319 523542275 /nfs/dbraw/zinc/54/22/75/523542275.db2.gz GHJTWXCOQVFEJF-UHFFFAOYSA-N 0 1 288.351 2.467 20 10 CECDMN COc1ccc(CNCc2snnc2C)cc1C ZINC000291750018 524073679 /nfs/dbraw/zinc/07/36/79/524073679.db2.gz QBNYPDJFPDFENG-UHFFFAOYSA-N 0 1 263.366 2.453 20 10 CECDMN 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CECDMN C[N@H+](Cc1ccccc1O)CC1CCN(C(=O)[O-])CC1 ZINC000739713250 574932235 /nfs/dbraw/zinc/93/22/35/574932235.db2.gz CHOZPXJZLYNHOA-UHFFFAOYSA-N 0 1 278.352 2.214 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCNc1ncccn1 ZINC000751505237 575290775 /nfs/dbraw/zinc/29/07/75/575290775.db2.gz AESTUHPVSVVWPA-UHFFFAOYSA-N 0 1 292.770 2.427 20 10 CECDMN COc1cccc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1O ZINC000086757130 598151705 /nfs/dbraw/zinc/15/17/05/598151705.db2.gz COXUZENQRCDAEY-NSHDSACASA-N 0 1 279.336 2.088 20 10 CECDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000828029266 601891614 /nfs/dbraw/zinc/89/16/14/601891614.db2.gz XFNCUEMXNWCACX-MRXNPFEDSA-N 0 1 275.348 2.178 20 10 CECDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cc2c(cc1O)OCO2 ZINC000833486541 604577900 /nfs/dbraw/zinc/57/79/00/604577900.db2.gz LKNXQUBBURKEQL-UHFFFAOYSA-N 0 1 295.335 2.054 20 10 CECDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000086778752 604676432 /nfs/dbraw/zinc/67/64/32/604676432.db2.gz 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/nfs/dbraw/zinc/86/97/07/628869707.db2.gz OLQVTUKIENMYGC-SNVBAGLBSA-N 0 1 259.708 2.216 20 10 CECDMN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(CN)o1 ZINC000237085842 628981948 /nfs/dbraw/zinc/98/19/48/628981948.db2.gz YGVRWVGNBLNGGV-UHFFFAOYSA-N 0 1 287.363 2.043 20 10 CECDMN COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894050394 629103541 /nfs/dbraw/zinc/10/35/41/629103541.db2.gz ONHAPHIALZTXSH-LLVKDONJSA-N 0 1 285.290 2.198 20 10 CECDMN COC[C@@H]1COCCN1Cc1c(O)ccc2ccccc21 ZINC000902561843 634723421 /nfs/dbraw/zinc/72/34/21/634723421.db2.gz CKWWCEBCPWJIHB-CQSZACIVSA-N 0 1 287.359 2.393 20 10 CECDMN COCCCOCC[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894424408 629453909 /nfs/dbraw/zinc/45/39/09/629453909.db2.gz DNUBDLZXDZTVHV-UHFFFAOYSA-N 0 1 289.322 2.155 20 10 CECDMN COC(=O)[C@H](NCc1cc(F)cc(F)c1O)C(C)(C)C ZINC000894423786 629454127 /nfs/dbraw/zinc/45/41/27/629454127.db2.gz VCPJTXULZBUILA-LBPRGKRZSA-N 0 1 287.306 2.348 20 10 CECDMN Cc1nc([C@@H](C)NCc2ccc3c(c2)CCCO3)n[nH]1 ZINC000894467484 629478524 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ZINC000897203754 630988349 /nfs/dbraw/zinc/98/83/49/630988349.db2.gz CZQHEPVQTSDCRK-UHFFFAOYSA-N 0 1 287.787 2.497 20 10 CECDMN C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(Cl)cc1[O-] ZINC000841752250 631676126 /nfs/dbraw/zinc/67/61/26/631676126.db2.gz NWCHLJFMBKOEHT-BDAKNGLRSA-N 0 1 288.750 2.170 20 10 CECDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(=O)NCCF ZINC000841752252 631676210 /nfs/dbraw/zinc/67/62/10/631676210.db2.gz NWCHLJFMBKOEHT-DTWKUNHWSA-N 0 1 288.750 2.170 20 10 CECDMN C[C@@]1(F)CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840097552 631846215 /nfs/dbraw/zinc/84/62/15/631846215.db2.gz BVJSISQJQVXCLZ-DZGCQCFKSA-N 0 1 281.327 2.142 20 10 CECDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cn[nH]c1 ZINC000807835737 631874542 /nfs/dbraw/zinc/87/45/42/631874542.db2.gz KHFWYIPXSBKPCE-UHFFFAOYSA-N 0 1 286.118 2.352 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]C1CC(CCO)C1 ZINC000898008283 631999385 /nfs/dbraw/zinc/99/93/85/631999385.db2.gz MIHSWSIMGICCFL-UHFFFAOYSA-N 0 1 255.745 2.296 20 10 CECDMN Cc1ccc(O)c(CN(C)C[C@H](O)C(F)(F)F)c1 ZINC000809751314 632140711 /nfs/dbraw/zinc/14/07/11/632140711.db2.gz QQHALNBTAUDJBU-NSHDSACASA-N 0 1 263.259 2.056 20 10 CECDMN COCC(COC)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000826064674 635755062 /nfs/dbraw/zinc/75/50/62/635755062.db2.gz MXSPXQXTUJTOHW-UHFFFAOYSA-N 0 1 273.760 2.105 20 10 CECDMN C[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1ccccc1O ZINC000899181401 632726835 /nfs/dbraw/zinc/72/68/35/632726835.db2.gz BREZCXSZXWJQSW-DGCLKSJQSA-N 0 1 276.380 2.442 20 10 CECDMN Cc1cc(CN(C)C[C@@H](O)C(F)(F)F)ccc1N(C)C ZINC000815080003 632956310 /nfs/dbraw/zinc/95/63/10/632956310.db2.gz DESSQJDZUOLJGR-CYBMUJFWSA-N 0 1 290.329 2.416 20 10 CECDMN O=C1OC[C@H]2CN(Cc3ccc4ccccc4c3O)CCN12 ZINC000816515184 633405407 /nfs/dbraw/zinc/40/54/07/633405407.db2.gz RMUXWJCWKDHTFT-CQSZACIVSA-N 0 1 298.342 2.182 20 10 CECDMN CNC(=O)C(C)(C)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816557893 633412464 /nfs/dbraw/zinc/41/24/64/633412464.db2.gz FZUDKAHGTNZVHQ-UHFFFAOYSA-N 0 1 286.375 2.407 20 10 CECDMN CCOc1ccc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c(O)c1 ZINC000817881187 633750396 /nfs/dbraw/zinc/75/03/96/633750396.db2.gz PXPYQAUBFOOFLS-DGCLKSJQSA-N 0 1 293.363 2.476 20 10 CECDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)N(C)C ZINC000823663891 635247599 /nfs/dbraw/zinc/24/75/99/635247599.db2.gz RLCYDGWMOKCEPN-ZIAGYGMSSA-N 0 1 291.439 2.058 20 10 CECDMN CN(C)C(=O)O[C@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000824576584 635455650 /nfs/dbraw/zinc/45/56/50/635455650.db2.gz PFONXVOQPWROIX-LBPRGKRZSA-N 0 1 298.770 2.318 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCCC(=O)N(C)C)cc1Cl ZINC000825156567 635580243 /nfs/dbraw/zinc/58/02/43/635580243.db2.gz YWCACVVECITJIM-UHFFFAOYSA-N 0 1 284.787 2.312 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000825297379 635607720 /nfs/dbraw/zinc/60/77/20/635607720.db2.gz DDMDXVOBUWJONJ-JQWIXIFHSA-N 0 1 296.798 2.488 20 10 CECDMN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000826139746 635765964 /nfs/dbraw/zinc/76/59/64/635765964.db2.gz MQKVNIZXOKVZJQ-GGZOMVNGSA-N 0 1 283.755 2.333 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826846399 635860076 /nfs/dbraw/zinc/86/00/76/635860076.db2.gz UNNQAZGECMLCIA-NSHDSACASA-N 0 1 292.770 2.159 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826846399 635860078 /nfs/dbraw/zinc/86/00/78/635860078.db2.gz UNNQAZGECMLCIA-NSHDSACASA-N 0 1 292.770 2.159 20 10 CECDMN Oc1cc(F)c(Cl)cc1CN1CC[C@H](O)C(F)(F)C1 ZINC000826952762 636169611 /nfs/dbraw/zinc/16/96/11/636169611.db2.gz RVORQJFSBKVHJN-NSHDSACASA-N 0 1 295.688 2.387 20 10 CECDMN C[C@H](NC(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1O ZINC000827969931 636474611 /nfs/dbraw/zinc/47/46/11/636474611.db2.gz VHRPFNOGBRMXTA-NSHDSACASA-N 0 1 299.374 2.414 20 10 CECDMN CN(C)c1ccc(C=CCNCc2cc[nH]n2)cc1 ZINC000835036254 638033314 /nfs/dbraw/zinc/03/33/14/638033314.db2.gz NWTUTZUGKZFXJR-ONEGZZNKSA-N 0 1 256.353 2.279 20 10 CECDMN Cc1cccc(O)c1C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000876797714 650436829 /nfs/dbraw/zinc/43/68/29/650436829.db2.gz UEBYDECSZPGTGB-AWEZNQCLSA-N 0 1 285.391 2.499 20 10 CECDMN CC[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cc(Cl)ccc1[O-] ZINC000840833752 639556799 /nfs/dbraw/zinc/55/67/99/639556799.db2.gz PJKRJVYMUUFRQM-SKDRFNHKSA-N 0 1 282.771 2.222 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(CCO)CCOC2)c(Cl)c1 ZINC000840908926 639581535 /nfs/dbraw/zinc/58/15/35/639581535.db2.gz LXQBVVFQGKQLAA-OAHLLOKOSA-N 0 1 299.798 2.233 20 10 CECDMN COC[C@@](C)(O)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840950418 639598242 /nfs/dbraw/zinc/59/82/42/639598242.db2.gz IBXXSDCYVWIKBN-AWEZNQCLSA-N 0 1 287.787 2.231 20 10 CECDMN C[C@H](C[C@H](C)O)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000228562072 639644499 /nfs/dbraw/zinc/64/44/99/639644499.db2.gz TYRGURJMKIJYCI-BDAKNGLRSA-N 0 1 288.185 2.404 20 10 CECDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1O ZINC000229118071 639677237 /nfs/dbraw/zinc/67/72/37/639677237.db2.gz FDRSPHAVGHFRCV-SECBINFHSA-N 0 1 299.754 2.351 20 10 CECDMN CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(OC)c1O ZINC000229118701 639677403 /nfs/dbraw/zinc/67/74/03/639677403.db2.gz GGQAUHUMAPZPKY-UHFFFAOYSA-N 0 1 287.743 2.351 20 10 CECDMN C[C@@H]([NH2+]C[C@H]1COCCO1)c1ccc(Cl)cc1[O-] ZINC000841746163 639857489 /nfs/dbraw/zinc/85/74/89/639857489.db2.gz VVEOTQJJGBNYKU-KOLCDFICSA-N 0 1 271.744 2.112 20 10 CECDMN C[C@H]([NH2+]Cc1cnnn1C)c1ccc(Cl)cc1[O-] ZINC000841757980 639859728 /nfs/dbraw/zinc/85/97/28/639859728.db2.gz QQHVONQMPBXDLN-QMMMGPOBSA-N 0 1 266.732 2.025 20 10 CECDMN COC[C@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841756234 639860194 /nfs/dbraw/zinc/86/01/94/639860194.db2.gz WGLNTGOCVXSTQT-KOLCDFICSA-N 0 1 273.760 2.094 20 10 CECDMN COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756233 639860270 /nfs/dbraw/zinc/86/02/70/639860270.db2.gz WGLNTGOCVXSTQT-GXSJLCMTSA-N 0 1 273.760 2.094 20 10 CECDMN Cn1ccc(CNCc2cc(Br)ccc2O)n1 ZINC000231608724 639867075 /nfs/dbraw/zinc/86/70/75/639867075.db2.gz NTORTCUZSWJINO-UHFFFAOYSA-N 0 1 296.168 2.178 20 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/nfs/dbraw/zinc/67/74/81/816677481.db2.gz DDMKKRXUFFLNCO-SECBINFHSA-N 0 1 257.280 2.139 20 10 CECDMN Cc1ccc(C(=O)Nc2ccc3cncn3c2)c(O)c1O ZINC001179309173 816848751 /nfs/dbraw/zinc/84/87/51/816848751.db2.gz CFJCGNUKKXTWBI-UHFFFAOYSA-N 0 1 283.287 2.306 20 10 CECDMN CN(C)C(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052686775 343564883 /nfs/dbraw/zinc/56/48/83/343564883.db2.gz RFDCCVMFJAIZSP-UHFFFAOYSA-N 0 1 289.423 2.197 20 10 CECDMN CN(C)c1ccc(CN2CC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000279546514 539350574 /nfs/dbraw/zinc/35/05/74/539350574.db2.gz DDOZRRLGTUOAJP-GFCCVEGCSA-N 0 1 288.313 2.338 20 10 CECDMN CC[C@H](C)NC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000171937414 367643573 /nfs/dbraw/zinc/64/35/73/367643573.db2.gz YDLASLMHDCAUCL-RYUDHWBXSA-N 0 1 264.369 2.127 20 10 CECDMN CC(C)C(=O)NCC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180797756 368396505 /nfs/dbraw/zinc/39/65/05/368396505.db2.gz WNRPYVKKQHYSST-UHFFFAOYSA-N 0 1 284.787 2.250 20 10 CECDMN Cc1cccc(CN2CCC[C@H]2c2nncn2C)c1O ZINC000180561756 368385948 /nfs/dbraw/zinc/38/59/48/368385948.db2.gz RSGWMZLEDJLPNI-ZDUSSCGKSA-N 0 1 272.352 2.166 20 10 CECDMN CCN(Cc1cc(OC)ccc1O)C[C@@H](O)C(F)(F)F ZINC000189868567 369573650 /nfs/dbraw/zinc/57/36/50/369573650.db2.gz YJHOEXCSMFJXFB-GFCCVEGCSA-N 0 1 293.285 2.146 20 10 CECDMN CCN(Cc1cccc(OC)c1O)C[C@H](O)C(F)(F)F ZINC000189863443 369573851 /nfs/dbraw/zinc/57/38/51/369573851.db2.gz VBALBDCHYAAMEH-NSHDSACASA-N 0 1 293.285 2.146 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)CCS1 ZINC000191668710 369732437 /nfs/dbraw/zinc/73/24/37/369732437.db2.gz AKBBZWBIRGXTII-JTQLQIEISA-N 0 1 281.377 2.448 20 10 CECDMN CC(C)(C)c1cnc(SCc2nn[nH]n2)s1 ZINC000268279996 372091985 /nfs/dbraw/zinc/09/19/85/372091985.db2.gz ATYCYNAGKXPQFS-UHFFFAOYSA-N 0 1 255.372 2.246 20 10 CECDMN COCC[C@H]1COCCN1Cc1cc(C)c(C)cc1O ZINC000365804671 372940627 /nfs/dbraw/zinc/94/06/27/372940627.db2.gz RAARIEUUUWUTDJ-HNNXBMFYSA-N 0 1 279.380 2.246 20 10 CECDMN O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000272561918 373554221 /nfs/dbraw/zinc/55/42/21/373554221.db2.gz BYKGZWSUZJGVIN-HOSRBBHYSA-N 0 1 299.330 2.028 20 10 CECDMN CCN(C)S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000273406226 373755220 /nfs/dbraw/zinc/75/52/20/373755220.db2.gz LUDJEMRTGWIOSS-UHFFFAOYSA-N 0 1 299.179 2.307 20 10 CECDMN Oc1ccc(F)cc1CN1CCC(O)(C(F)(F)F)CC1 ZINC000274389965 373904415 /nfs/dbraw/zinc/90/44/15/373904415.db2.gz VDRWQVTXRDGELZ-UHFFFAOYSA-N 0 1 293.260 2.421 20 10 CECDMN C[C@H](NCc1ccc2c(c1)CCN2C)c1cnccn1 ZINC000375285582 374649091 /nfs/dbraw/zinc/64/90/91/374649091.db2.gz DCHAPKJEQQSBDN-LBPRGKRZSA-N 0 1 268.364 2.320 20 10 CECDMN CC(=O)c1cc(F)cc(CN2CCC[C@@]23CCOC3)c1O ZINC000375272134 374649242 /nfs/dbraw/zinc/64/92/42/374649242.db2.gz KRAHWQHVRKLGNZ-INIZCTEOSA-N 0 1 293.338 2.489 20 10 CECDMN O=S(=O)(Nc1cc(Cl)c(O)cc1F)C1CC1 ZINC000288353487 376375584 /nfs/dbraw/zinc/37/55/84/376375584.db2.gz XBBMWSSUPOUHOU-UHFFFAOYSA-N 0 1 265.693 2.089 20 10 CECDMN CC(C)[C@H](NCc1cc(F)ccc1O)c1nncn1C ZINC000289316140 376391893 /nfs/dbraw/zinc/39/18/93/376391893.db2.gz FFCNUVNSBKVHII-ZDUSSCGKSA-N 0 1 278.331 2.147 20 10 CECDMN Oc1ccc2c(c1)OCCN(Cc1ccccc1O)C2 ZINC000289262610 376391949 /nfs/dbraw/zinc/39/19/49/376391949.db2.gz FTGVMZABHBZYDY-UHFFFAOYSA-N 0 1 271.316 2.492 20 10 CECDMN Cc1cc(CN2CCOC[C@H]2C[C@@H](C)O)ccc1N(C)C ZINC000294487799 377990231 /nfs/dbraw/zinc/99/02/31/377990231.db2.gz HQCHUTTXMXNWPG-GDBMZVCRSA-N 0 1 292.423 2.033 20 10 CECDMN COc1ccc(O)c(CN2C[C@@H](C)OC[C@H]2C)c1 ZINC000132188756 394926301 /nfs/dbraw/zinc/92/63/01/394926301.db2.gz FASLEKXTSXJBQP-GHMZBOCLSA-N 0 1 251.326 2.010 20 10 CECDMN CCOc1cccc(CN2C[C@H](C)OC[C@@H]2C)c1O ZINC000132195555 394926304 /nfs/dbraw/zinc/92/63/04/394926304.db2.gz PIXTUTQAJVVZTB-RYUDHWBXSA-N 0 1 265.353 2.400 20 10 CECDMN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H](C)CO ZINC000293943193 395259433 /nfs/dbraw/zinc/25/94/33/395259433.db2.gz OJEBXSDPWPYQBS-MRVPVSSYSA-N 0 1 261.724 2.387 20 10 CECDMN C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Cl)ccc1[O-] ZINC000185502490 262056840 /nfs/dbraw/zinc/05/68/40/262056840.db2.gz QUQLMOYFWUWLPP-KOLCDFICSA-N 0 1 282.771 2.317 20 10 CECDMN C[C@H]([NH2+]CC1(CO)COC1)c1ccc2ccccc2c1[O-] ZINC000186146251 262082093 /nfs/dbraw/zinc/08/20/93/262082093.db2.gz UTXIBRMSUAFURW-LBPRGKRZSA-N 0 1 287.359 2.205 20 10 CECDMN C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186539938 262098233 /nfs/dbraw/zinc/09/82/33/262098233.db2.gz AWTZBLQBXKHZEZ-NMIRZEMHSA-N 0 1 275.801 2.463 20 10 CECDMN O=C1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@@H]2CCCCN12 ZINC000370287041 267306484 /nfs/dbraw/zinc/30/64/84/267306484.db2.gz BFGHMYRAHDXWGS-OLZOCXBDSA-N 0 1 294.782 2.289 20 10 CECDMN CC[C@@H]1CN(Cc2cc(F)ccc2O)C[C@]2(CCOC2)O1 ZINC000376635526 268004362 /nfs/dbraw/zinc/00/43/62/268004362.db2.gz WYFYEAXGEKGHOA-ZBFHGGJFSA-N 0 1 295.354 2.301 20 10 CECDMN CC(=O)c1cc(F)cc(CN2CCC[C@H](O)[C@@H]2C)c1O ZINC000296260174 327093547 /nfs/dbraw/zinc/09/35/47/327093547.db2.gz OBMZPLKYTFYXFN-XPTSAGLGSA-N 0 1 281.327 2.079 20 10 CECDMN C[C@@H]([NH2+][C@@H](C)CO)c1cc(Br)ccc1[O-] ZINC000134925641 334108673 /nfs/dbraw/zinc/10/86/73/334108673.db2.gz PBUYEHVRCDLXQT-JGVFFNPUSA-N 0 1 274.158 2.186 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cn[nH]c2)c1[O-] ZINC000275159181 518286922 /nfs/dbraw/zinc/28/69/22/518286922.db2.gz ILUQFEFEQFQFEJ-QMMMGPOBSA-N 0 1 277.299 2.308 20 10 CECDMN CC(C)c1nnc(CN[C@H]2CCc3cccc(O)c32)[nH]1 ZINC000296595192 519887922 /nfs/dbraw/zinc/88/79/22/519887922.db2.gz VFIVVLBHYTXKAF-NSHDSACASA-N 0 1 272.352 2.411 20 10 CECDMN CCN(CC)c1ccc(CN(C)[C@@H]2CCN(C)C2=O)cc1 ZINC000265649061 520893166 /nfs/dbraw/zinc/89/31/66/520893166.db2.gz NCKOLLBFMQWVRR-MRXNPFEDSA-N 0 1 289.423 2.195 20 10 CECDMN CCOc1cccc(CNCc2snnc2C)c1O ZINC000291710750 521368801 /nfs/dbraw/zinc/36/88/01/521368801.db2.gz LITMJEADLGDEBR-UHFFFAOYSA-N 0 1 279.365 2.241 20 10 CECDMN CCCN(Cc1ccccc1O)[C@H](C)C(=O)OC ZINC000076074134 521690921 /nfs/dbraw/zinc/69/09/21/521690921.db2.gz VWOTUGMBMLPKQS-LLVKDONJSA-N 0 1 251.326 2.166 20 10 CECDMN COC[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000071270403 522805937 /nfs/dbraw/zinc/80/59/37/522805937.db2.gz GHCGHRNHUBLDCS-DGCLKSJQSA-N 0 1 275.348 2.203 20 10 CECDMN CCc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000032271692 523748144 /nfs/dbraw/zinc/74/81/44/523748144.db2.gz YNCHJJBNRBCYFE-UHFFFAOYSA-N 0 1 286.379 2.310 20 10 CECDMN Cc1ccc(O)c(CN2CC[C@@H](C)[S@](=O)CC2)c1 ZINC000277395164 525342535 /nfs/dbraw/zinc/34/25/35/525342535.db2.gz GPEBYGUWFZVGNC-KZULUSFZSA-N 0 1 267.394 2.044 20 10 CECDMN C[N@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CCOC1 ZINC000730260252 574512527 /nfs/dbraw/zinc/51/25/27/574512527.db2.gz MUXNPCSMLMRHPG-LBPRGKRZSA-N 0 1 258.321 2.161 20 10 CECDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)[C@H]1CCOC1 ZINC000730260252 574512528 /nfs/dbraw/zinc/51/25/28/574512528.db2.gz MUXNPCSMLMRHPG-LBPRGKRZSA-N 0 1 258.321 2.161 20 10 CECDMN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1CN1CCCC1 ZINC000732287766 574618033 /nfs/dbraw/zinc/61/80/33/574618033.db2.gz FZDWHBARJNUDSF-LLVKDONJSA-N 0 1 280.393 2.154 20 10 CECDMN CC[C@H](C(N)=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000738297802 574857306 /nfs/dbraw/zinc/85/73/06/574857306.db2.gz CXVHXUGEEIKLLL-OAHLLOKOSA-N 0 1 277.412 2.229 20 10 CECDMN CN1C(=O)C2(CCCC2)N[C@H]1c1cccc(Cl)c1O ZINC000742439106 575021627 /nfs/dbraw/zinc/02/16/27/575021627.db2.gz IGWZQVJMLBJKEB-GFCCVEGCSA-N 0 1 280.755 2.419 20 10 CECDMN O=C([O-])N[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000834180386 605491383 /nfs/dbraw/zinc/49/13/83/605491383.db2.gz FBALXDFSFQVYPJ-SECBINFHSA-N 0 1 284.743 2.278 20 10 CECDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000833816540 605691831 /nfs/dbraw/zinc/69/18/31/605691831.db2.gz ZPGGPCAAZIQHGX-NWDGAFQWSA-N 0 1 278.352 2.260 20 10 CECDMN CCC[N@H+](C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759457 622931093 /nfs/dbraw/zinc/93/10/93/622931093.db2.gz CEMOAALHGWNQNG-UHFFFAOYSA-N 0 1 270.760 2.004 20 10 CECDMN CCC[N@@H+](C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759457 622931096 /nfs/dbraw/zinc/93/10/96/622931096.db2.gz CEMOAALHGWNQNG-UHFFFAOYSA-N 0 1 270.760 2.004 20 10 CECDMN COc1ccc(CNCc2ccc3c(c2)CCO3)nc1 ZINC000892793419 627776849 /nfs/dbraw/zinc/77/68/49/627776849.db2.gz MHTJKFOQXZABIB-UHFFFAOYSA-N 0 1 270.332 2.315 20 10 CECDMN CC(=O)N1CCN(Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000840918600 628502871 /nfs/dbraw/zinc/50/28/71/628502871.db2.gz WPBKPSXKEPMMQE-CQSZACIVSA-N 0 1 289.423 2.114 20 10 CECDMN C[C@H](O)[C@@H]1CN(Cc2ccc3ccccc3c2O)CCO1 ZINC000840979944 628988433 /nfs/dbraw/zinc/98/84/33/628988433.db2.gz VQBWKIWJTCYZLJ-LRDDRELGSA-N 0 1 287.359 2.127 20 10 CECDMN Oc1c(F)cc(F)cc1CN1CCO[C@@]2(CCCOC2)C1 ZINC000894737717 629612612 /nfs/dbraw/zinc/61/26/12/629612612.db2.gz FJPAHVCFLVVVPE-HNNXBMFYSA-N 0 1 299.317 2.052 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895783797 630343463 /nfs/dbraw/zinc/34/34/63/630343463.db2.gz AQZVUNNQNUZUSH-LJWDBELGSA-N 0 1 267.756 2.248 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895783797 630343467 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ZINC000841743567 631535333 /nfs/dbraw/zinc/53/53/33/631535333.db2.gz AYNQOOHFGFRZDN-JOYOIKCWSA-N 0 1 282.771 2.365 20 10 CECDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(=O)NCCF ZINC000841752260 631677354 /nfs/dbraw/zinc/67/73/54/631677354.db2.gz NWCHLJFMBKOEHT-RKDXNWHRSA-N 0 1 288.750 2.170 20 10 CECDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnc[nH]1 ZINC000807840794 631875103 /nfs/dbraw/zinc/87/51/03/631875103.db2.gz KCUVMTNVKPHYFH-UHFFFAOYSA-N 0 1 286.118 2.352 20 10 CECDMN CCC[C@@H](NCc1cc(F)cc(F)c1O)C(=O)OC ZINC000897833317 631935568 /nfs/dbraw/zinc/93/55/68/631935568.db2.gz FAWZNIRYBXGPLN-LLVKDONJSA-N 0 1 273.279 2.102 20 10 CECDMN Oc1c(F)cc(Cl)cc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898188293 632102025 /nfs/dbraw/zinc/10/20/25/632102025.db2.gz PYUKOVMOICBMGM-WDEREUQCSA-N 0 1 277.698 2.089 20 10 CECDMN C[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1ccccc1O ZINC000899181403 632726948 /nfs/dbraw/zinc/72/69/48/632726948.db2.gz BREZCXSZXWJQSW-YPMHNXCESA-N 0 1 276.380 2.442 20 10 CECDMN CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816520459 633406240 /nfs/dbraw/zinc/40/62/40/633406240.db2.gz PYMGELPYOUMPCH-GFCCVEGCSA-N 0 1 286.375 2.359 20 10 CECDMN CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc2ccccc2c1[O-] ZINC000816520459 633406243 /nfs/dbraw/zinc/40/62/43/633406243.db2.gz PYMGELPYOUMPCH-GFCCVEGCSA-N 0 1 286.375 2.359 20 10 CECDMN OC[C@@]1(F)CCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816601130 633420312 /nfs/dbraw/zinc/42/03/12/633420312.db2.gz SJDLNWKUWVBZSB-GFCCVEGCSA-N 0 1 277.698 2.091 20 10 CECDMN COC[C@@H]1CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000816636822 633454286 /nfs/dbraw/zinc/45/42/86/633454286.db2.gz IXPCYKMJZKOBKB-JTQLQIEISA-N 0 1 259.708 2.405 20 10 CECDMN COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(Cl)c(F)cc3[O-])C[C@@H]21 ZINC000816616670 633451069 /nfs/dbraw/zinc/45/10/69/633451069.db2.gz CESMVWIWYVBBFM-WOFXILAISA-N 0 1 299.729 2.036 20 10 CECDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000816889028 633482833 /nfs/dbraw/zinc/48/28/33/633482833.db2.gz 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ZINC000825185085 635587621 /nfs/dbraw/zinc/58/76/21/635587621.db2.gz IOOHOLFUIDHEMI-UHFFFAOYSA-N 0 1 286.803 2.022 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H](CO)C1CC1 ZINC000825290997 635606923 /nfs/dbraw/zinc/60/69/23/635606923.db2.gz BQXHZPSWLMDNLP-NSHDSACASA-N 0 1 286.169 2.015 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1Cl ZINC000825556655 635663621 /nfs/dbraw/zinc/66/36/21/635663621.db2.gz UDHZZZJGAQPDCR-GFCCVEGCSA-N 0 1 292.770 2.393 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](n3cncn3)C2)cc1Cl ZINC000825556655 635663625 /nfs/dbraw/zinc/66/36/25/635663625.db2.gz UDHZZZJGAQPDCR-GFCCVEGCSA-N 0 1 292.770 2.393 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@H]2C)cc1Cl ZINC000826090085 635759792 /nfs/dbraw/zinc/75/97/92/635759792.db2.gz VHPQUWSUUZQATL-BXKDBHETSA-N 0 1 255.745 2.309 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@H]2C)cc1Cl ZINC000826090085 635759800 /nfs/dbraw/zinc/75/98/00/635759800.db2.gz VHPQUWSUUZQATL-BXKDBHETSA-N 0 1 255.745 2.309 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827291348 636282277 /nfs/dbraw/zinc/28/22/77/636282277.db2.gz KBUHDZRMQNZGOQ-TVQRCGJNSA-N 0 1 253.729 2.002 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827291348 636282282 /nfs/dbraw/zinc/28/22/82/636282282.db2.gz KBUHDZRMQNZGOQ-TVQRCGJNSA-N 0 1 253.729 2.002 20 10 CECDMN CC(C)N1CCC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000832296762 637537259 /nfs/dbraw/zinc/53/72/59/637537259.db2.gz NRIABJGYBCUZMO-SNVBAGLBSA-N 0 1 268.382 2.056 20 10 CECDMN CCN1C[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1=O ZINC000834889843 637979369 /nfs/dbraw/zinc/97/93/69/637979369.db2.gz KJARNAGQNIVOOI-GXSJLCMTSA-N 0 1 282.771 2.317 20 10 CECDMN CN(C)c1ccc(/C=C\CNCc2ccn(C)n2)cc1 ZINC000835040210 638034465 /nfs/dbraw/zinc/03/44/65/638034465.db2.gz BRYYVQNKGMWOFW-PLNGDYQASA-N 0 1 270.380 2.289 20 10 CECDMN C[N@@H+](Cc1cn[nH]c1)Cc1ccc(F)c(F)c1[O-] ZINC000876742635 650416280 /nfs/dbraw/zinc/41/62/80/650416280.db2.gz VHFVSXLNUHVPNS-UHFFFAOYSA-N 0 1 253.252 2.026 20 10 CECDMN CCN1C(=O)C(C)(C)N[C@@H]1c1cc(Cl)cc(F)c1O ZINC000840838690 639558520 /nfs/dbraw/zinc/55/85/20/639558520.db2.gz RREVSMRAWJNLNJ-NSHDSACASA-N 0 1 286.734 2.414 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)C2CC2)c(Cl)c1 ZINC000840897609 639576604 /nfs/dbraw/zinc/57/66/04/639576604.db2.gz DQCCXKCLTLOKPV-CYBMUJFWSA-N 0 1 255.745 2.215 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCOC[C@H]2CCOC2)c(Cl)c1 ZINC000840898964 639576624 /nfs/dbraw/zinc/57/66/24/639576624.db2.gz YTIBSQZSDJZAEW-LBPRGKRZSA-N 0 1 299.798 2.497 20 10 CECDMN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840907791 639581074 /nfs/dbraw/zinc/58/10/74/639581074.db2.gz QYGDQBJREQWZST-GWCFXTLKSA-N 0 1 296.798 2.358 20 10 CECDMN CN1CCC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000227439045 639590385 /nfs/dbraw/zinc/59/03/85/639590385.db2.gz WPMYUCULHVFJOC-LBPRGKRZSA-N 0 1 299.212 2.339 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCc2cn[nH]c2)c(Cl)c1 ZINC000840945941 639596760 /nfs/dbraw/zinc/59/67/60/639596760.db2.gz BHDWSLLOWQCQCJ-UHFFFAOYSA-N 0 1 265.744 2.409 20 10 CECDMN CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841748639 639857049 /nfs/dbraw/zinc/85/70/49/639857049.db2.gz XWUJVBCKGYRMFQ-SECBINFHSA-N 0 1 291.800 2.131 20 10 CECDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(=O)N(C)C ZINC000841752948 639858336 /nfs/dbraw/zinc/85/83/36/639858336.db2.gz WJSQPVHHQYUYLR-DTWKUNHWSA-N 0 1 270.760 2.173 20 10 CECDMN C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(Cl)cc1[O-] ZINC000841751512 639858482 /nfs/dbraw/zinc/85/84/82/639858482.db2.gz HPDISXBYPFDRRY-SSDOTTSWSA-N 0 1 292.713 2.078 20 10 CECDMN C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(Cl)cc1[O-] ZINC000841757359 639860519 /nfs/dbraw/zinc/86/05/19/639860519.db2.gz NQLVKWICZWNRMA-SNVBAGLBSA-N 0 1 287.787 2.484 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1C(=O)[O-] ZINC000843040102 640247538 /nfs/dbraw/zinc/24/75/38/640247538.db2.gz FXFSJWIZINEBBU-DGCLKSJQSA-N 0 1 294.370 2.434 20 10 CECDMN Nc1ccncc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000843489938 640441830 /nfs/dbraw/zinc/44/18/30/640441830.db2.gz OHPMOBIMAYTQNK-UHFFFAOYSA-N 0 1 297.358 2.009 20 10 CECDMN CCc1nnc([C@@H](C)NCc2ccc(C)cc2O)[nH]1 ZINC000877130416 650586959 /nfs/dbraw/zinc/58/69/59/650586959.db2.gz RIKMXASICBMWJO-SNVBAGLBSA-N 0 1 260.341 2.232 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)CCF)c(Cl)c1 ZINC000846096096 641179546 /nfs/dbraw/zinc/17/95/46/641179546.db2.gz FMDLONYCMMLLSA-SECBINFHSA-N 0 1 261.724 2.164 20 10 CECDMN F[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000846122189 641193471 /nfs/dbraw/zinc/19/34/71/641193471.db2.gz KFWVQJKQYMOQBV-OAHLLOKOSA-N 0 1 278.371 2.457 20 10 CECDMN Cc1cccc(CN(C)CC(=O)NC(C)(C)C)c1O ZINC000179609448 641367051 /nfs/dbraw/zinc/36/70/51/641367051.db2.gz IEWBDAGLLGCGQL-UHFFFAOYSA-N 0 1 264.369 2.047 20 10 CECDMN C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cccc(Cl)c1[O-] ZINC000846705014 641403258 /nfs/dbraw/zinc/40/32/58/641403258.db2.gz WZOWGWHRAWIQKN-KOLCDFICSA-N 0 1 254.761 2.357 20 10 CECDMN CCc1cccc(CN2CCN(C(C)=O)C[C@@H]2C)c1O ZINC000848887061 642172274 /nfs/dbraw/zinc/17/22/74/642172274.db2.gz MPGNCNRBBFDBSE-LBPRGKRZSA-N 0 1 276.380 2.007 20 10 CECDMN O=C([O-])[C@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000849232123 642291307 /nfs/dbraw/zinc/29/13/07/642291307.db2.gz REUKMAQDAVZWJV-LJGSYFOKSA-N 0 1 273.691 2.138 20 10 CECDMN Oc1c(CN2CCO[C@@H](C(F)F)C2)ccc(F)c1F ZINC000877502805 650754395 /nfs/dbraw/zinc/75/43/95/650754395.db2.gz SPQNCAMLDDHCHV-SECBINFHSA-N 0 1 279.233 2.136 20 10 CECDMN C[C@@H]1C[C@@H](N[C@@H]2CCc3cccc(O)c32)c2ncnn21 ZINC000850499806 642732871 /nfs/dbraw/zinc/73/28/71/642732871.db2.gz XTBXZMPHRVKOBS-YUSALJHKSA-N 0 1 270.336 2.267 20 10 CECDMN CC(C)(C)c1nnc(C[NH2+]Cc2ccc(F)c(F)c2[O-])[nH]1 ZINC000877583264 650800500 /nfs/dbraw/zinc/80/05/00/650800500.db2.gz NNQLMOFXOGWVHW-UHFFFAOYSA-N 0 1 296.321 2.376 20 10 CECDMN CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000228099082 642988945 /nfs/dbraw/zinc/98/89/45/642988945.db2.gz HFNWUOCMTOHOLG-AWEZNQCLSA-N 0 1 282.771 2.004 20 10 CECDMN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000228099082 642988947 /nfs/dbraw/zinc/98/89/47/642988947.db2.gz HFNWUOCMTOHOLG-AWEZNQCLSA-N 0 1 282.771 2.004 20 10 CECDMN C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877592935 650805434 /nfs/dbraw/zinc/80/54/34/650805434.db2.gz WRIHQQXLRNJEAS-GXSJLCMTSA-N 0 1 271.307 2.263 20 10 CECDMN COC(=O)[C@](C)(CCF)NCc1ccc(F)c(F)c1O ZINC000877631149 650823588 /nfs/dbraw/zinc/82/35/88/650823588.db2.gz GIULPAAPAKJMLC-ZDUSSCGKSA-N 0 1 291.269 2.051 20 10 CECDMN CCOCCOCC[NH2+]Cc1c([O-])cccc1Cl ZINC000922941316 643465947 /nfs/dbraw/zinc/46/59/47/643465947.db2.gz MOZUWLKXRUEPLA-UHFFFAOYSA-N 0 1 273.760 2.188 20 10 CECDMN CC(C)C1(O)CN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000839133642 644170475 /nfs/dbraw/zinc/17/04/75/644170475.db2.gz SFEXKNXNYLQXMK-UHFFFAOYSA-N 0 1 273.735 2.387 20 10 CECDMN CCOc1ccc(O)c(CN2CC(C(F)F)C2)c1 ZINC000839140536 644171583 /nfs/dbraw/zinc/17/15/83/644171583.db2.gz DQRNSOSNSWCPON-UHFFFAOYSA-N 0 1 257.280 2.488 20 10 CECDMN CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000857084576 644813647 /nfs/dbraw/zinc/81/36/47/644813647.db2.gz WFGGQZXZGHUBGG-JOYOIKCWSA-N 0 1 282.771 2.317 20 10 CECDMN Oc1c(F)cc(Cl)cc1CN1CCc2n[nH]cc2C1 ZINC000857875939 644993542 /nfs/dbraw/zinc/99/35/42/644993542.db2.gz IBFNKIPGIJJLJM-UHFFFAOYSA-N 0 1 281.718 2.466 20 10 CECDMN CCN(CC)c1ccc(CNCc2c[nH]nn2)cc1F ZINC000858198433 645085698 /nfs/dbraw/zinc/08/56/98/645085698.db2.gz OAMIATIXANCLMW-UHFFFAOYSA-N 0 1 277.347 2.080 20 10 CECDMN C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000858434449 645157667 /nfs/dbraw/zinc/15/76/67/645157667.db2.gz HEGFRFHJATTWAY-BXKDBHETSA-N 0 1 295.770 2.163 20 10 CECDMN C[C@@H](N[C@H](CO)c1ccnn1C)c1cc(Cl)ccc1O ZINC000858434449 645157669 /nfs/dbraw/zinc/15/76/69/645157669.db2.gz HEGFRFHJATTWAY-BXKDBHETSA-N 0 1 295.770 2.163 20 10 CECDMN CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000858580602 645209188 /nfs/dbraw/zinc/20/91/88/645209188.db2.gz SDQPENXAWJJVPT-IUCAKERBSA-N 0 1 286.759 2.105 20 10 CECDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](O)C1CC1 ZINC000809753050 645218961 /nfs/dbraw/zinc/21/89/61/645218961.db2.gz ZIVXOQCRFSWNEA-GFCCVEGCSA-N 0 1 255.745 2.248 20 10 CECDMN COc1cc(O)c(CN2CCOC(C)(C)[C@@H]2C)cc1OC ZINC000768462134 646126824 /nfs/dbraw/zinc/12/68/24/646126824.db2.gz JVPWICPDCNQUNO-NSHDSACASA-N 0 1 295.379 2.409 20 10 CECDMN CCN(CCCO)Cc1cc(F)c(N(C)C)cc1F ZINC000862249149 646382157 /nfs/dbraw/zinc/38/21/57/646382157.db2.gz XJEBHWAIBKHIFF-UHFFFAOYSA-N 0 1 272.339 2.235 20 10 CECDMN CN(C)c1cc(F)c(CN(C)CC2(O)CCC2)cc1F ZINC000862327157 646401870 /nfs/dbraw/zinc/40/18/70/646401870.db2.gz ZQRDRFOISYROTC-UHFFFAOYSA-N 0 1 284.350 2.378 20 10 CECDMN CCN(C)c1ccc(CN(C)CC(=O)N2CCCC2)cc1 ZINC000773734339 646771150 /nfs/dbraw/zinc/77/11/50/646771150.db2.gz QOVWBOQYSBQFAH-UHFFFAOYSA-N 0 1 289.423 2.197 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1CO ZINC000864050937 646870936 /nfs/dbraw/zinc/87/09/36/646870936.db2.gz VYWDYEPVSZCLHG-MWLCHTKSSA-N 0 1 271.307 2.121 20 10 CECDMN C[C@@H](NCc1ccno1)c1ccc(N2CCOCC2)cc1 ZINC000775258111 646935621 /nfs/dbraw/zinc/93/56/21/646935621.db2.gz QNDZQHWLDHMLJY-CYBMUJFWSA-N 0 1 287.363 2.362 20 10 CECDMN Oc1c(F)cc(Cl)cc1CN1CCn2ccnc2C1 ZINC000775676275 646979532 /nfs/dbraw/zinc/97/95/32/646979532.db2.gz CQQAQDPYCFQUJW-UHFFFAOYSA-N 0 1 281.718 2.397 20 10 CECDMN COc1ccc(O)c(CN(C)Cc2cccn2C)c1 ZINC000775711984 646983265 /nfs/dbraw/zinc/98/32/65/646983265.db2.gz CPRKUDNZSZEQHU-UHFFFAOYSA-N 0 1 260.337 2.371 20 10 CECDMN COC(=O)CN(Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000775735646 646986053 /nfs/dbraw/zinc/98/60/53/646986053.db2.gz AHLIHOYEWYLUFW-UHFFFAOYSA-N 0 1 287.718 2.322 20 10 CECDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000777219153 647121528 /nfs/dbraw/zinc/12/15/28/647121528.db2.gz CXHUEAZMHUOKTD-LLVKDONJSA-N 0 1 296.733 2.223 20 10 CECDMN CCOc1ccc(CN2CCO[C@H](C3CC3)C2)c(O)c1 ZINC000777223013 647121640 /nfs/dbraw/zinc/12/16/40/647121640.db2.gz VNSHLJCBKICETE-INIZCTEOSA-N 0 1 277.364 2.402 20 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AOYYTFZXZBGZDM-UHFFFAOYSA-N 0 1 274.324 2.293 20 10 CECDMN CCCOc1ccc(CNC[C@H](C)S(C)(=O)=O)cc1C ZINC000873096304 649558560 /nfs/dbraw/zinc/55/85/60/649558560.db2.gz VXFGZMQBYAUAIP-ZDUSSCGKSA-N 0 1 299.436 2.307 20 10 CECDMN CCCOc1ccc(CNCc2cnnn2C)cc1C ZINC000873127589 649564508 /nfs/dbraw/zinc/56/45/08/649564508.db2.gz UPTBMNQMTWVAAW-UHFFFAOYSA-N 0 1 274.368 2.202 20 10 CECDMN O=C([O-])[C@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000874046226 649741056 /nfs/dbraw/zinc/74/10/56/649741056.db2.gz REUKMAQDAVZWJV-KNVOCYPGSA-N 0 1 273.691 2.138 20 10 CECDMN CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000128336287 651420570 /nfs/dbraw/zinc/42/05/70/651420570.db2.gz NCNRIPJIRZTOBQ-VXGBXAGGSA-N 0 1 255.745 2.295 20 10 CECDMN COCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134906120 652887581 /nfs/dbraw/zinc/88/75/81/652887581.db2.gz FHZLZXXPBSEVSC-QMMMGPOBSA-N 0 1 274.158 2.452 20 10 CECDMN COC(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527334 806620822 /nfs/dbraw/zinc/62/08/22/806620822.db2.gz RQYXTEDIXFWRGG-SNVBAGLBSA-N 0 1 299.317 2.446 20 10 CECDMN COC[C@@H](CC[NH2+]Cc1cc(Cl)ccc1[O-])OC ZINC000694285271 803526899 /nfs/dbraw/zinc/52/68/99/803526899.db2.gz ISEKADAWGIZLMY-GFCCVEGCSA-N 0 1 273.760 2.187 20 10 CECDMN C[C@]1(CO)CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001119508286 815123171 /nfs/dbraw/zinc/12/31/71/815123171.db2.gz ZIFBZRCDHCBMMR-AWEZNQCLSA-N 0 1 271.307 2.265 20 10 CECDMN COc1ccc(CN2CCn3cncc3C2)c(O)c1Cl ZINC001236811850 808168440 /nfs/dbraw/zinc/16/84/40/808168440.db2.gz PWYFGBJAFGZTSY-UHFFFAOYSA-N 0 1 293.754 2.267 20 10 CECDMN Cc1cc(C[NH2+]Cc2ccc(F)c(F)c2[O-])no1 ZINC000700768737 809351864 /nfs/dbraw/zinc/35/18/64/809351864.db2.gz ZRLXFTIUAWXRBA-UHFFFAOYSA-N 0 1 254.236 2.257 20 10 CECDMN CC[C@](C)(CO)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701016557 809379852 /nfs/dbraw/zinc/37/98/52/809379852.db2.gz WISMKHWSZKGNOG-GFCCVEGCSA-N 0 1 288.185 2.405 20 10 CECDMN CC(C)[C@H](O)C[NH2+]Cc1c([O-])cccc1Br ZINC000706871988 809858980 /nfs/dbraw/zinc/85/89/80/809858980.db2.gz VENHIQYOMIZWBG-GFCCVEGCSA-N 0 1 288.185 2.261 20 10 CECDMN NCc1nc2c(s1)CCN(Cc1cc(F)ccc1O)C2 ZINC000710209360 809984977 /nfs/dbraw/zinc/98/49/77/809984977.db2.gz PASLQRQRPSZKTD-UHFFFAOYSA-N 0 1 293.367 2.005 20 10 CECDMN C[C@H]1COC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000829431592 810872738 /nfs/dbraw/zinc/87/27/38/810872738.db2.gz ISZSPOWFXDWUDC-KWQFWETISA-N 0 1 286.169 2.279 20 10 CECDMN CC(C)[C@@H](O)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691452066 811858346 /nfs/dbraw/zinc/85/83/46/811858346.db2.gz CAQWVVBXIFRHGS-LBPRGKRZSA-N 0 1 288.185 2.261 20 10 CECDMN CN1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691485518 811952274 /nfs/dbraw/zinc/95/22/74/811952274.db2.gz BJHSBOSRWQAKTE-GFCCVEGCSA-N 0 1 299.212 2.339 20 10 CECDMN [NH3+]C1(c2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2)CC1 ZINC001170314733 812386080 /nfs/dbraw/zinc/38/60/80/812386080.db2.gz GPYSEARIBHMENS-UHFFFAOYSA-N 0 1 298.342 2.340 20 10 CECDMN C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000383541102 813102596 /nfs/dbraw/zinc/10/25/96/813102596.db2.gz UIGVDAXCGJQKLQ-CYBMUJFWSA-N 0 1 255.745 2.296 20 10 CECDMN C[N@H+]1C[C@H]2CCCN(Cc3c([O-])cccc3F)[C@H]2C1 ZINC001137838899 815695438 /nfs/dbraw/zinc/69/54/38/815695438.db2.gz MEERLONKGVDFAF-RISCZKNCSA-N 0 1 264.344 2.057 20 10 CECDMN CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(F)c1[O-] ZINC001138125256 815733284 /nfs/dbraw/zinc/73/32/84/815733284.db2.gz MEIBSIJSBFDARU-INIZCTEOSA-N 0 1 292.354 2.118 20 10 CECDMN Oc1cc(O)cc(CN2CCc3cccc(O)c3C2)c1 ZINC001138331404 815768906 /nfs/dbraw/zinc/76/89/06/815768906.db2.gz YNLHOLIDRFYOLF-UHFFFAOYSA-N 0 1 271.316 2.362 20 10 CECDMN CN1CCCc2cc(CN3CC4(CC(O)C4)C3)ccc21 ZINC001138354499 815773873 /nfs/dbraw/zinc/77/38/73/815773873.db2.gz LTEZEOVMUPFSBG-UHFFFAOYSA-N 0 1 272.392 2.026 20 10 CECDMN CN(Cc1ccc2c(c1)CCCN2C)Cc1cncnc1 ZINC001138359647 815777153 /nfs/dbraw/zinc/77/71/53/815777153.db2.gz XKBONRAMFUGCIG-UHFFFAOYSA-N 0 1 282.391 2.491 20 10 CECDMN CCOC1C[NH+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139126198 815965043 /nfs/dbraw/zinc/96/50/43/815965043.db2.gz ACKRBUDTMZXMLF-UHFFFAOYSA-N 0 1 289.331 2.028 20 10 CECDMN CCOC1CN(Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139126198 815965048 /nfs/dbraw/zinc/96/50/48/815965048.db2.gz ACKRBUDTMZXMLF-UHFFFAOYSA-N 0 1 289.331 2.028 20 10 CECDMN CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139687187 816082896 /nfs/dbraw/zinc/08/28/96/816082896.db2.gz IVMWRNCTWFCIDJ-SNVBAGLBSA-N 0 1 298.333 2.161 20 10 CECDMN CC[N@@H+](CCC(=O)OC)Cc1c(F)ccc(F)c1[O-] ZINC001139686535 816084197 /nfs/dbraw/zinc/08/41/97/816084197.db2.gz ABXIECJWEHAYDY-UHFFFAOYSA-N 0 1 273.279 2.055 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@H+]1CCCC[C@H]1CO ZINC001140340367 816237400 /nfs/dbraw/zinc/23/74/00/816237400.db2.gz XTVSPCLGEDFNIW-JTQLQIEISA-N 0 1 255.745 2.392 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1CO ZINC001140340367 816237404 /nfs/dbraw/zinc/23/74/04/816237404.db2.gz XTVSPCLGEDFNIW-JTQLQIEISA-N 0 1 255.745 2.392 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1CO ZINC001140460998 816258978 /nfs/dbraw/zinc/25/89/78/816258978.db2.gz ATNNOLPXIHJRKJ-LBPRGKRZSA-N 0 1 255.745 2.392 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1CO ZINC001140460998 816258980 /nfs/dbraw/zinc/25/89/80/816258980.db2.gz ATNNOLPXIHJRKJ-LBPRGKRZSA-N 0 1 255.745 2.392 20 10 CECDMN O=C1CCC2(CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)N1 ZINC001140464616 816259870 /nfs/dbraw/zinc/25/98/70/816259870.db2.gz XFWDEFHCACIDRQ-UHFFFAOYSA-N 0 1 294.782 2.290 20 10 CECDMN CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140464319 816260173 /nfs/dbraw/zinc/26/01/73/816260173.db2.gz LERUJXHUYZBPRR-CYBMUJFWSA-N 0 1 282.771 2.146 20 10 CECDMN CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140464319 816260177 /nfs/dbraw/zinc/26/01/77/816260177.db2.gz LERUJXHUYZBPRR-CYBMUJFWSA-N 0 1 282.771 2.146 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001140581622 816291106 /nfs/dbraw/zinc/29/11/06/816291106.db2.gz VOXPOMRBEWOXBY-QOSJWCAFSA-N 0 1 257.255 2.460 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001140581622 816291110 /nfs/dbraw/zinc/29/11/10/816291110.db2.gz VOXPOMRBEWOXBY-QOSJWCAFSA-N 0 1 257.255 2.460 20 10 CECDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583928 816292451 /nfs/dbraw/zinc/29/24/51/816292451.db2.gz ZAMWLXUTDLZRKS-VIFPVBQESA-N 0 1 285.290 2.055 20 10 CECDMN CC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583461 816292995 /nfs/dbraw/zinc/29/29/95/816292995.db2.gz HRTCQKQJJWNTAP-SNVBAGLBSA-N 0 1 269.291 2.471 20 10 CECDMN O=C1CCC[C@@H]2C[N@H+](Cc3c([O-])cc(F)cc3F)C[C@H]12 ZINC001140584862 816295181 /nfs/dbraw/zinc/29/51/81/816295181.db2.gz HRLDVVDQBMDTME-KOLCDFICSA-N 0 1 281.302 2.471 20 10 CECDMN CN1CCOc2cc(CN3[C@@H]4CC[C@H]3CC(=O)C4)ccc21 ZINC001141142016 816485456 /nfs/dbraw/zinc/48/54/56/816485456.db2.gz CSXHBXWXQOVNDX-OKILXGFUSA-N 0 1 286.375 2.211 20 10 CECDMN Oc1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1 ZINC001141156067 816490890 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CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)[nH]n1 ZINC000054148923 343585625 /nfs/dbraw/zinc/58/56/25/343585625.db2.gz BTBWTLRJILPCGL-UHFFFAOYSA-N 0 1 286.379 2.446 20 10 CECDMN Cc1cnn(C2CN(Cc3cc(C)ccc3O)C2)c1 ZINC000361255540 344808824 /nfs/dbraw/zinc/80/88/24/344808824.db2.gz QRNBDSZNPULCSE-UHFFFAOYSA-N 0 1 257.337 2.262 20 10 CECDMN COCCN1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179641644 368347554 /nfs/dbraw/zinc/34/75/54/368347554.db2.gz UQTWXSTUSHQQBF-UHFFFAOYSA-N 0 1 298.814 2.118 20 10 CECDMN CC[N@@H+](CCC(=O)OC)Cc1cccc(Cl)c1[O-] ZINC000179825860 368353835 /nfs/dbraw/zinc/35/38/35/368353835.db2.gz NFOMBJQDJXOVLE-UHFFFAOYSA-N 0 1 271.744 2.431 20 10 CECDMN COc1ccc(O)c(CN2CCOC3(CCC3)C2)c1 ZINC000180417417 368380341 /nfs/dbraw/zinc/38/03/41/368380341.db2.gz OFTPRJIVACMYIO-UHFFFAOYSA-N 0 1 263.337 2.156 20 10 CECDMN CCCN1CCCN(Cc2cc(C)c(C)cc2O)CC1=O ZINC000189214083 369476319 /nfs/dbraw/zinc/47/63/19/369476319.db2.gz OZDMOZYFYPDTNP-UHFFFAOYSA-N 0 1 290.407 2.453 20 10 CECDMN 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ZINC000274896527 523987411 /nfs/dbraw/zinc/98/74/11/523987411.db2.gz GAQCAXXALIPWGW-TZMCWYRMSA-N 0 1 277.364 2.474 20 10 CECDMN C[C@@H](Cn1cccn1)[NH2+]Cc1c([O-])cccc1Cl ZINC000083551842 524952804 /nfs/dbraw/zinc/95/28/04/524952804.db2.gz BROBCFILJVMNCF-JTQLQIEISA-N 0 1 265.744 2.420 20 10 CECDMN Cc1ccc(O)c(CN2CC[C@H](C)[S@](=O)CC2)c1 ZINC000277395163 525347237 /nfs/dbraw/zinc/34/72/37/525347237.db2.gz GPEBYGUWFZVGNC-KPZWWZAWSA-N 0 1 267.394 2.044 20 10 CECDMN C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000278909019 525425631 /nfs/dbraw/zinc/42/56/31/525425631.db2.gz VPAQOIHPWHZEPJ-IMSIIYSGSA-N 0 1 285.771 2.236 20 10 CECDMN C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000278909020 525426358 /nfs/dbraw/zinc/42/63/58/525426358.db2.gz VPAQOIHPWHZEPJ-PKFCDNJMSA-N 0 1 285.771 2.236 20 10 CECDMN CCN(CC)c1ccc(CN(C)C(=O)CN(C)C)cc1 ZINC000727298887 574450275 /nfs/dbraw/zinc/45/02/75/574450275.db2.gz DJGNBERAGAJWGR-UHFFFAOYSA-N 0 1 277.412 2.053 20 10 CECDMN C[C@H](C(=O)[O-])[N@H+](C)Cc1cccc(Br)c1O ZINC000819895162 598131500 /nfs/dbraw/zinc/13/15/00/598131500.db2.gz ABFRGVYWSWPFBW-SSDOTTSWSA-N 0 1 288.141 2.060 20 10 CECDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Br)c1O ZINC000819895162 598131501 /nfs/dbraw/zinc/13/15/01/598131501.db2.gz ABFRGVYWSWPFBW-SSDOTTSWSA-N 0 1 288.141 2.060 20 10 CECDMN CC[N@@H+](CC(=O)[O-])Cc1c(O)ccc2ccccc21 ZINC000086775035 600027607 /nfs/dbraw/zinc/02/76/07/600027607.db2.gz CGRBMPBVLYLERR-UHFFFAOYSA-N 0 1 259.305 2.452 20 10 CECDMN Cc1cc(O)c(C[N@H+](CC(=O)[O-])C(C)C)cc1C ZINC000821045993 604557784 /nfs/dbraw/zinc/55/77/84/604557784.db2.gz NQMOEMAIZMNLRS-UHFFFAOYSA-N 0 1 251.326 2.304 20 10 CECDMN CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000820387399 604651988 /nfs/dbraw/zinc/65/19/88/604651988.db2.gz NYAMJSMFOYDWAF-CYBMUJFWSA-N 0 1 279.336 2.230 20 10 CECDMN Cc1cc(O)c(C[N@H+]2CCC[C@H]2CC(=O)[O-])cc1C ZINC000832900262 604980395 /nfs/dbraw/zinc/98/03/95/604980395.db2.gz VRTJISBDJSGXOQ-ZDUSSCGKSA-N 0 1 263.337 2.448 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([NH3+])C2)c1[O-] ZINC000050149790 623334058 /nfs/dbraw/zinc/33/40/58/623334058.db2.gz UJQQHOBUXXAGQK-LBPRGKRZSA-N 0 1 282.771 2.171 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2CCC[NH2+]CC2)c1[O-] ZINC000050153785 623334186 /nfs/dbraw/zinc/33/41/86/623334186.db2.gz YIVZMROQTNTYOI-UHFFFAOYSA-N 0 1 282.771 2.044 20 10 CECDMN CCC[N@@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000311023795 628351307 /nfs/dbraw/zinc/35/13/07/628351307.db2.gz ZQLSVWUGCRRMIA-UHFFFAOYSA-N 0 1 291.178 2.396 20 10 CECDMN C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000228562064 628923042 /nfs/dbraw/zinc/92/30/42/628923042.db2.gz TYRGURJMKIJYCI-RKDXNWHRSA-N 0 1 288.185 2.404 20 10 CECDMN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000840976924 628984920 /nfs/dbraw/zinc/98/49/20/628984920.db2.gz ZGBDEMFHRTUSBW-HNNXBMFYSA-N 0 1 263.337 2.167 20 10 CECDMN CN(Cc1cc[nH]n1)Cc1cc(F)cc(F)c1O ZINC000894016583 629089070 /nfs/dbraw/zinc/08/90/70/629089070.db2.gz GMLDGQPOJJPVDA-UHFFFAOYSA-N 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TYQHVSLWNKPLBV-MRVPVSSYSA-N 0 1 257.280 2.016 20 10 CECDMN COc1c(O)c(C[N@H+]2CC[C@@H](CF)C2)ccc1[N+](=O)[O-] ZINC000895574192 630255216 /nfs/dbraw/zinc/25/52/16/630255216.db2.gz VADKKZVRFSRZML-VIFPVBQESA-N 0 1 284.287 2.100 20 10 CECDMN COc1c([O-])c(C[N@@H+]2CC[C@@H](CF)C2)ccc1[N+](=O)[O-] ZINC000895574192 630255219 /nfs/dbraw/zinc/25/52/19/630255219.db2.gz VADKKZVRFSRZML-VIFPVBQESA-N 0 1 284.287 2.100 20 10 CECDMN COc1c([O-])c(C[N@H+]2CC[C@@H](CF)C2)ccc1[N+](=O)[O-] ZINC000895574192 630255222 /nfs/dbraw/zinc/25/52/22/630255222.db2.gz VADKKZVRFSRZML-VIFPVBQESA-N 0 1 284.287 2.100 20 10 CECDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895781357 630349351 /nfs/dbraw/zinc/34/93/51/630349351.db2.gz PYUCWXLAKFALDP-YDEJPDAXSA-N 0 1 285.746 2.387 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000841894546 630420254 /nfs/dbraw/zinc/42/02/54/630420254.db2.gz QVNRTAKLZQQGPT-SECBINFHSA-N 0 1 290.741 2.475 20 10 CECDMN O=C(NCc1ccccc1O)c1n[nH]nc1-c1ccccc1 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CCN(Cc1nc(C(C)(C)N)no1)c1ccc(OC)cc1 ZINC000843357876 640402482 /nfs/dbraw/zinc/40/24/82/640402482.db2.gz SFBVUBCDBHKLIN-UHFFFAOYSA-N 0 1 290.367 2.299 20 10 CECDMN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925413647 640424065 /nfs/dbraw/zinc/42/40/65/640424065.db2.gz UBEYHWWSMXJKFU-AWEZNQCLSA-N 0 1 291.395 2.018 20 10 CECDMN CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCN1C ZINC000925413647 640424068 /nfs/dbraw/zinc/42/40/68/640424068.db2.gz UBEYHWWSMXJKFU-AWEZNQCLSA-N 0 1 291.395 2.018 20 10 CECDMN CCN(CC(=O)N[C@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000153873335 640737817 /nfs/dbraw/zinc/73/78/17/640737817.db2.gz AZGBDCXBPGLEPQ-LLVKDONJSA-N 0 1 292.379 2.062 20 10 CECDMN CCn1ccnc1CN[C@H](C)c1cccc(OC)c1O ZINC000846170698 641211220 /nfs/dbraw/zinc/21/12/20/641211220.db2.gz YTIGUXNSXCWVJG-LLVKDONJSA-N 0 1 275.352 2.468 20 10 CECDMN C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1[O-] ZINC000846205639 641220121 /nfs/dbraw/zinc/22/01/21/641220121.db2.gz IRHPOXZVEQWXBF-GHMZBOCLSA-N 0 1 292.354 2.193 20 10 CECDMN Cc1cc(C[N@H+](CC(=O)[O-])CC2CC2)ccc1N(C)C ZINC000846268395 641250251 /nfs/dbraw/zinc/25/02/51/641250251.db2.gz GZKIVHUFZIGXKT-UHFFFAOYSA-N 0 1 276.380 2.358 20 10 CECDMN CCC[C@@]1(C)C(=O)NCCN1Cc1cccc(CC)c1O ZINC000848906473 642183231 /nfs/dbraw/zinc/18/32/31/642183231.db2.gz WTZZQSVEJHWASF-KRWDZBQOSA-N 0 1 290.407 2.445 20 10 CECDMN CCc1cccc(CN2CC[S@](=O)C[C@H](C)C2)c1O ZINC000848907303 642183880 /nfs/dbraw/zinc/18/38/80/642183880.db2.gz LDFJJORYLUQPLV-BLVKFPJESA-N 0 1 281.421 2.155 20 10 CECDMN CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877464915 650731741 /nfs/dbraw/zinc/73/17/41/650731741.db2.gz OVNZDJOPHVVIBJ-AWEZNQCLSA-N 0 1 271.307 2.407 20 10 CECDMN [NH2+]=C(NCc1cc(Cl)ccc1[O-])N1CCSCC1 ZINC000849049305 642257249 /nfs/dbraw/zinc/25/72/49/642257249.db2.gz QBUUKVXPVZIVLN-UHFFFAOYSA-N 0 1 285.800 2.119 20 10 CECDMN O=C(CNCc1ccc2c(c1)CCCO2)NC1CCCC1 ZINC000921726871 642562691 /nfs/dbraw/zinc/56/26/91/642562691.db2.gz IGLVPHXSFBFDIZ-UHFFFAOYSA-N 0 1 288.391 2.160 20 10 CECDMN C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877595171 650806115 /nfs/dbraw/zinc/80/61/15/650806115.db2.gz UIRLNZIZPFFKRP-VHSXEESVSA-N 0 1 271.307 2.121 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c1O ZINC000852701915 643518832 /nfs/dbraw/zinc/51/88/32/643518832.db2.gz VTONRMMJIFCCOI-QFYYESIMSA-N 0 1 295.354 2.184 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c1[O-] ZINC000852701915 643518834 /nfs/dbraw/zinc/51/88/34/643518834.db2.gz VTONRMMJIFCCOI-QFYYESIMSA-N 0 1 295.354 2.184 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c1[O-] ZINC000852701915 643518837 /nfs/dbraw/zinc/51/88/37/643518837.db2.gz VTONRMMJIFCCOI-QFYYESIMSA-N 0 1 295.354 2.184 20 10 CECDMN CCCn1cc(CN[C@@H](C)c2ccccc2O)nn1 ZINC000877758059 650899966 /nfs/dbraw/zinc/89/99/66/650899966.db2.gz HOGIAUBOOAVQGJ-NSHDSACASA-N 0 1 260.341 2.245 20 10 CECDMN C[C@H]([NH2+]CCCN(C)C)c1cc(F)cc(F)c1[O-] ZINC000756341689 644631968 /nfs/dbraw/zinc/63/19/68/644631968.db2.gz JEUGQJCXTPNICW-VIFPVBQESA-N 0 1 258.312 2.273 20 10 CECDMN C[C@H]([NH3+])[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843058314 644773158 /nfs/dbraw/zinc/77/31/58/644773158.db2.gz RNUKOFMVILZBED-IUCAKERBSA-N 0 1 299.758 2.123 20 10 CECDMN CN(C)c1ccc(CNCc2c[nH]nn2)c(C(F)(F)F)c1 ZINC000858198396 645086426 /nfs/dbraw/zinc/08/64/26/645086426.db2.gz UNOJLAGEDDOKKF-UHFFFAOYSA-N 0 1 299.300 2.179 20 10 CECDMN CC[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Cl)ccc1[O-] ZINC000858522830 645190603 /nfs/dbraw/zinc/19/06/03/645190603.db2.gz IHGAIRJYPPZJLL-TZMCWYRMSA-N 0 1 298.814 2.417 20 10 CECDMN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000126911108 651000033 /nfs/dbraw/zinc/00/00/33/651000033.db2.gz CZWFGCBTDCDYPQ-GASCZTMLSA-N 0 1 290.407 2.132 20 10 CECDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000878277301 651051326 /nfs/dbraw/zinc/05/13/26/651051326.db2.gz QXSUUOIVUJSTLY-MEDUHNTESA-N 0 1 299.374 2.440 20 10 CECDMN Oc1ccccc1CN(Cc1cn[nH]c1)C[C@H]1CCCO1 ZINC000768161536 646091874 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Cc1cccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1O ZINC000863738375 646803122 /nfs/dbraw/zinc/80/31/22/646803122.db2.gz AFVNTCHWLMXPKR-AAEUAGOBSA-N 0 1 263.337 2.243 20 10 CECDMN CC[C@H]([NH2+][C@H]1CCCNC1=O)c1cc(Cl)ccc1[O-] ZINC000775500113 646960661 /nfs/dbraw/zinc/96/06/61/646960661.db2.gz PABSRHQGYLLKDG-RYUDHWBXSA-N 0 1 282.771 2.365 20 10 CECDMN C[C@@H](N[C@@H](C)c1ncn(C)n1)c1cc(F)cc(F)c1O ZINC000783300784 647707408 /nfs/dbraw/zinc/70/74/08/647707408.db2.gz XNMXFZGGWDMTSG-SFYZADRCSA-N 0 1 282.294 2.211 20 10 CECDMN CCOc1ccc(CN2C[C@H](C)O[C@H](COC)C2)c(O)c1 ZINC000784666888 647873701 /nfs/dbraw/zinc/87/37/01/647873701.db2.gz CASHMWALOQFWDR-WFASDCNBSA-N 0 1 295.379 2.027 20 10 CECDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000787420068 648107738 /nfs/dbraw/zinc/10/77/38/648107738.db2.gz CULAUCYRRYZRPP-GXSJLCMTSA-N 0 1 283.755 2.429 20 10 CECDMN COC(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000787420247 648107841 /nfs/dbraw/zinc/10/78/41/648107841.db2.gz CULAUCYRRYZRPP-ONGXEEELSA-N 0 1 283.755 2.429 20 10 CECDMN Cn1cnc(CNCc2ccc3c(c2)CCCN3C)c1 ZINC000808386092 648148837 /nfs/dbraw/zinc/14/88/37/648148837.db2.gz VZSSGRGPEBSIAX-UHFFFAOYSA-N 0 1 270.380 2.092 20 10 CECDMN C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000789762920 648339205 /nfs/dbraw/zinc/33/92/05/648339205.db2.gz BCABCYACEZDXOV-LBPRGKRZSA-N 0 1 298.814 2.198 20 10 CECDMN C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000789762920 648339212 /nfs/dbraw/zinc/33/92/12/648339212.db2.gz BCABCYACEZDXOV-LBPRGKRZSA-N 0 1 298.814 2.198 20 10 CECDMN COc1ccc(O)c(CN(C)Cc2cnn(C)c2C)c1 ZINC000790938914 648462907 /nfs/dbraw/zinc/46/29/07/648462907.db2.gz PACUZLUFDJAMDY-UHFFFAOYSA-N 0 1 275.352 2.075 20 10 CECDMN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792163362 648617331 /nfs/dbraw/zinc/61/73/31/648617331.db2.gz XEKLZABLUJCCKM-QMMMGPOBSA-N 0 1 287.718 2.180 20 10 CECDMN CCCOc1ccc(CNCC(=O)N(C)CC)cc1C ZINC000873108052 649559952 /nfs/dbraw/zinc/55/99/52/649559952.db2.gz 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COc1cc([O-])c(C[N@H+]2CCCC[C@H]2CO)cc1Cl ZINC001232266661 807238315 /nfs/dbraw/zinc/23/83/15/807238315.db2.gz XGNHMENOXBOAAU-NSHDSACASA-N 0 1 285.771 2.401 20 10 CECDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001233335787 807395508 /nfs/dbraw/zinc/39/55/08/807395508.db2.gz LMXYFKMCIPNUQO-ZANVPECISA-N 0 1 269.291 2.281 20 10 CECDMN C[C@@]1(CO)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC001119449455 815115379 /nfs/dbraw/zinc/11/53/79/815115379.db2.gz WQDKINSNVPWFHO-ZDUSSCGKSA-N 0 1 257.280 2.017 20 10 CECDMN CNc1ccccc1NCC1(N2CCCC2)COC1 ZINC001168447405 807571671 /nfs/dbraw/zinc/57/16/71/807571671.db2.gz FUHYRKSRNZHMBD-UHFFFAOYSA-N 0 1 261.369 2.005 20 10 CECDMN Cc1cc(C2(NCc3ccc(N)cc3)CCOCC2)on1 ZINC001120371931 815217689 /nfs/dbraw/zinc/21/76/89/815217689.db2.gz VOGZYTSSYROSGT-UHFFFAOYSA-N 0 1 287.363 2.361 20 10 CECDMN COc1cccnc1N1CCN(Cc2ccccc2O)CC1 ZINC001203558704 808737185 /nfs/dbraw/zinc/73/71/85/808737185.db2.gz XCJKZWMZAKIRDT-UHFFFAOYSA-N 0 1 299.374 2.118 20 10 CECDMN COCC[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000700859875 809364051 /nfs/dbraw/zinc/36/40/51/809364051.db2.gz DOQLCHBNQZSZHU-UHFFFAOYSA-N 0 1 274.158 2.233 20 10 CECDMN COCC[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000700859875 809364056 /nfs/dbraw/zinc/36/40/56/809364056.db2.gz DOQLCHBNQZSZHU-UHFFFAOYSA-N 0 1 274.158 2.233 20 10 CECDMN CO[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703586111 809666690 /nfs/dbraw/zinc/66/66/90/809666690.db2.gz OBPQHMHHBSDPOM-JTQLQIEISA-N 0 1 257.280 2.281 20 10 CECDMN C[C@H]1OCCN(Cc2cc(F)cc(F)c2O)[C@@H]1C ZINC000708399237 809928605 /nfs/dbraw/zinc/92/86/05/809928605.db2.gz KIZUTVOZORYKIP-RKDXNWHRSA-N 0 1 257.280 2.280 20 10 CECDMN [O-]c1ccc(Br)cc1C[NH2+][C@H](CO)C1CC1 ZINC000381487804 810475137 /nfs/dbraw/zinc/47/51/37/810475137.db2.gz KGUDXUKWGICSLV-LLVKDONJSA-N 0 1 286.169 2.015 20 10 CECDMN C[C@@H](CCO)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691405463 810717108 /nfs/dbraw/zinc/71/71/08/810717108.db2.gz UTWRCUVTCOGPSO-QMMMGPOBSA-N 0 1 274.158 2.015 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H](O)C1CC1 ZINC000691428618 811658307 /nfs/dbraw/zinc/65/83/07/811658307.db2.gz MSNDMRMSKVLMFM-LBPRGKRZSA-N 0 1 286.169 2.015 20 10 CECDMN C[C@H](O)C(C)(C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691452192 811857567 /nfs/dbraw/zinc/85/75/67/811857567.db2.gz DGUZUMSQIRHNCJ-QMMMGPOBSA-N 0 1 288.185 2.404 20 10 CECDMN Oc1cc(O)c(CN2CCCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001144504188 814092960 /nfs/dbraw/zinc/09/29/60/814092960.db2.gz NJYKCRFKEIPPKS-LBPRGKRZSA-N 0 1 291.269 2.373 20 10 CECDMN C[N@H+]1C[C@H]2CCCN(Cc3c(F)ccc(F)c3[O-])[C@@H]2C1 ZINC001139682714 814726919 /nfs/dbraw/zinc/72/69/19/814726919.db2.gz BGTUSBJWATVOKL-QMTHXVAHSA-N 0 1 282.334 2.196 20 10 CECDMN CN1C[C@H]2CCC[N@H+](Cc3c(F)ccc(F)c3[O-])[C@@H]2C1 ZINC001139682714 814726926 /nfs/dbraw/zinc/72/69/26/814726926.db2.gz BGTUSBJWATVOKL-QMTHXVAHSA-N 0 1 282.334 2.196 20 10 CECDMN CN1C[C@H]2CCC[N@@H+](Cc3c(F)ccc(F)c3[O-])[C@@H]2C1 ZINC001139682714 814726933 /nfs/dbraw/zinc/72/69/33/814726933.db2.gz BGTUSBJWATVOKL-QMTHXVAHSA-N 0 1 282.334 2.196 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2c([O-])c(F)ccc2F)CC[C@H]1O ZINC001139683280 814731671 /nfs/dbraw/zinc/73/16/71/814731671.db2.gz COYNCVNDEBBGNB-TVQRCGJNSA-N 0 1 271.307 2.263 20 10 CECDMN COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684111 814749378 /nfs/dbraw/zinc/74/93/78/814749378.db2.gz QSKFMNMZXYNSJQ-NXEZZACHSA-N 0 1 299.317 2.301 20 10 CECDMN COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137839109 815695827 /nfs/dbraw/zinc/69/58/27/815695827.db2.gz RJSHDDFLPATWKW-QWRGUYRKSA-N 0 1 281.327 2.162 20 10 CECDMN Cc1c(CN2CC[C@@H](O)[C@H](F)C2)c2ccccc2n1C ZINC001138252302 815754781 /nfs/dbraw/zinc/75/47/81/815754781.db2.gz BADAJNOCMJWQCG-GDBMZVCRSA-N 0 1 276.355 2.391 20 10 CECDMN CN(Cc1cnn(C)c1)Cc1ccc2c(c1)CCCN2C ZINC001138354720 815774546 /nfs/dbraw/zinc/77/45/46/815774546.db2.gz RLIJLYJIDXMPJM-UHFFFAOYSA-N 0 1 284.407 2.435 20 10 CECDMN CN1CCCc2cc(CN3C[C@H](F)C[C@@H](CO)C3)ccc21 ZINC001138354839 815775473 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ZINC001140338104 816238713 /nfs/dbraw/zinc/23/87/13/816238713.db2.gz VLAWGODTHQFBMZ-UWVGGRQHSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@H]1C[C@@H](CO)[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140338104 816238716 /nfs/dbraw/zinc/23/87/16/816238716.db2.gz VLAWGODTHQFBMZ-UWVGGRQHSA-N 0 1 255.745 2.248 20 10 CECDMN CC(=O)N1CCC([N@@H+](C)Cc2ccc(Cl)cc2[O-])CC1 ZINC001140466611 816262713 /nfs/dbraw/zinc/26/27/13/816262713.db2.gz HZOQLOWTVFPXTA-UHFFFAOYSA-N 0 1 296.798 2.488 20 10 CECDMN O=C1CCCN(Cc2c(O)cc(F)cc2F)C[C@@H]1F ZINC001140582413 816290523 /nfs/dbraw/zinc/29/05/23/816290523.db2.gz IMIGZXWORDJECD-NSHDSACASA-N 0 1 273.254 2.173 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)CC[C@H]1O ZINC001140582787 816291424 /nfs/dbraw/zinc/29/14/24/816291424.db2.gz MXYQRPMOFGSVPE-NOZJJQNGSA-N 0 1 271.307 2.263 20 10 CECDMN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])cc(F)cc2F)CC12CC2 ZINC001140585194 816294537 /nfs/dbraw/zinc/29/45/37/816294537.db2.gz YMAUVIHKEKUGHQ-NSHDSACASA-N 0 1 297.301 2.055 20 10 CECDMN CN(Cc1ccc(N2CCOCC2)cc1F)C1CC1 ZINC001140660668 816314828 /nfs/dbraw/zinc/31/48/28/816314828.db2.gz ZVQWEFJLYLOLCM-UHFFFAOYSA-N 0 1 264.344 2.257 20 10 CECDMN CCN(CCOC)Cc1ccc(N2CCOCC2)cc1F ZINC001140662363 816317019 /nfs/dbraw/zinc/31/70/19/816317019.db2.gz QORAFXMQIFTFFO-UHFFFAOYSA-N 0 1 296.386 2.131 20 10 CECDMN Cc1ccc(O)c(CN2CCN(c3nccs3)CC2)c1 ZINC000123600315 816644780 /nfs/dbraw/zinc/64/47/80/816644780.db2.gz SLASMXLLLIHVAP-UHFFFAOYSA-N 0 1 289.404 2.479 20 10 CECDMN C[C@H](CC[S@](C)=O)[NH2+]Cc1c([O-])cccc1Cl ZINC000125477470 365677311 /nfs/dbraw/zinc/67/73/11/365677311.db2.gz NDDVLVIBHHKFPX-VVVCHXIZSA-N 0 1 275.801 2.292 20 10 CECDMN COC(=O)[C@]1(F)CCN(Cc2cc(C)c(C)cc2O)C1 ZINC000074723041 363376925 /nfs/dbraw/zinc/37/69/25/363376925.db2.gz LMRMGPFVEDSYAB-HNNXBMFYSA-N 0 1 281.327 2.096 20 10 CECDMN C[C@@H](CO)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134914758 366372326 /nfs/dbraw/zinc/37/23/26/366372326.db2.gz NCZHVIVGDKDCCY-RKDXNWHRSA-N 0 1 288.185 2.434 20 10 CECDMN Cc1c2ccccc2n(C)c1CNC(=O)CCc1cnc[nH]1 ZINC000357468649 540365049 /nfs/dbraw/zinc/36/50/49/540365049.db2.gz HFGSATRIJDQWRE-UHFFFAOYSA-N 0 1 296.374 2.459 20 10 CECDMN CCOc1ccc(O)c(CN2C[C@H](C)OC[C@@H]2C)c1 ZINC000092018208 364074832 /nfs/dbraw/zinc/07/48/32/364074832.db2.gz FYCAOYSGLMRZAK-RYUDHWBXSA-N 0 1 265.353 2.400 20 10 CECDMN Cc1nn(C)c(C)c1C[N@@H+](C)Cc1ccccc1O ZINC000111236189 364725387 /nfs/dbraw/zinc/72/53/87/364725387.db2.gz JOXKSICMZOTBIS-UHFFFAOYSA-N 0 1 259.353 2.375 20 10 CECDMN COC(=O)C[C@H]1CSCCN1Cc1cc(F)ccc1O ZINC000180191294 368371020 /nfs/dbraw/zinc/37/10/20/368371020.db2.gz MCMCWNDOCSUJJZ-LBPRGKRZSA-N 0 1 299.367 2.012 20 10 CECDMN CC[C@H]1CN(Cc2cc(OC)ccc2O)C[C@H](C)O1 ZINC000179855151 368355557 /nfs/dbraw/zinc/35/55/57/368355557.db2.gz JEUQCFWQYVHOTK-AAEUAGOBSA-N 0 1 265.353 2.400 20 10 CECDMN Oc1ccc(F)cc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000180253990 368374605 /nfs/dbraw/zinc/37/46/05/368374605.db2.gz UCFLJPKMCILRFK-JSGCOSHPSA-N 0 1 283.368 2.238 20 10 CECDMN CCOCC[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000181482993 368461724 /nfs/dbraw/zinc/46/17/24/368461724.db2.gz PQNRWDDIEVSOGO-UHFFFAOYSA-N 0 1 288.731 2.422 20 10 CECDMN [O-]c1c(F)cccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000272217373 373365077 /nfs/dbraw/zinc/36/50/77/373365077.db2.gz BJLXRWOJAKGRRB-ZDUSSCGKSA-N 0 1 251.301 2.142 20 10 CECDMN Cc1cc(O)c(CN2CCC[C@H](S(C)(=O)=O)C2)cc1C ZINC000273904382 373775959 /nfs/dbraw/zinc/77/59/59/373775959.db2.gz GDXPODJEXLYXCQ-AWEZNQCLSA-N 0 1 297.420 2.018 20 10 CECDMN CN(C)c1ccc(CN2CCCOCC2)cc1F ZINC000374325989 374542096 /nfs/dbraw/zinc/54/20/96/374542096.db2.gz QRECGUXSDFPPHP-UHFFFAOYSA-N 0 1 252.333 2.114 20 10 CECDMN O=C1NC[C@]2(CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)O1 ZINC000375556962 374661850 /nfs/dbraw/zinc/66/18/50/374661850.db2.gz JNQWIBPNLRDHBA-AWEZNQCLSA-N 0 1 296.754 2.120 20 10 CECDMN CO[C@H](C)C[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000285626991 375842365 /nfs/dbraw/zinc/84/23/65/375842365.db2.gz KQBWNNXHICDQHB-SECBINFHSA-N 0 1 269.316 2.201 20 10 CECDMN CO[C@H](C)C[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000285626991 375842367 /nfs/dbraw/zinc/84/23/67/375842367.db2.gz KQBWNNXHICDQHB-SECBINFHSA-N 0 1 269.316 2.201 20 10 CECDMN CO[C@H](C)CN(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000285626991 375842369 /nfs/dbraw/zinc/84/23/69/375842369.db2.gz KQBWNNXHICDQHB-SECBINFHSA-N 0 1 269.316 2.201 20 10 CECDMN CC(=O)c1cc(F)cc(CN2CC[C@H](CO)C[C@@H]2C)c1O ZINC000289123816 376386568 /nfs/dbraw/zinc/38/65/68/376386568.db2.gz XFHDNPOIZXVPTJ-JQWIXIFHSA-N 0 1 295.354 2.327 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)c1[O-] ZINC000289123816 376386571 /nfs/dbraw/zinc/38/65/71/376386571.db2.gz XFHDNPOIZXVPTJ-JQWIXIFHSA-N 0 1 295.354 2.327 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c1[O-] ZINC000289123816 376386574 /nfs/dbraw/zinc/38/65/74/376386574.db2.gz XFHDNPOIZXVPTJ-JQWIXIFHSA-N 0 1 295.354 2.327 20 10 CECDMN C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC000292883687 377331644 /nfs/dbraw/zinc/33/16/44/377331644.db2.gz YADHWHFQKAXLAA-OAHLLOKOSA-N 0 1 264.344 2.059 20 10 CECDMN C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC000292883687 377331650 /nfs/dbraw/zinc/33/16/50/377331650.db2.gz YADHWHFQKAXLAA-OAHLLOKOSA-N 0 1 264.344 2.059 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H]1CO ZINC000294776900 378018214 /nfs/dbraw/zinc/01/82/14/378018214.db2.gz UDLXFKWUZKPUGS-PELKAZGASA-N 0 1 273.735 2.387 20 10 CECDMN C[C@H](O)CC[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295382816 378130575 /nfs/dbraw/zinc/13/05/75/378130575.db2.gz PEXILEOZNRVIIK-QMMMGPOBSA-N 0 1 261.724 2.387 20 10 CECDMN C=Cn1cc(CNCc2ccc(N(C)C)c(F)c2)cn1 ZINC000194273821 395430440 /nfs/dbraw/zinc/43/04/40/395430440.db2.gz BLJNICDMCFBLGY-UHFFFAOYSA-N 0 1 274.343 2.479 20 10 CECDMN CS[C@H](CO)[C@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000152451042 261064411 /nfs/dbraw/zinc/06/44/11/261064411.db2.gz CIAMCBCNGCWLQU-QPUJVOFHSA-N 0 1 275.801 2.248 20 10 CECDMN C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)ccc1[O-] ZINC000186088246 262078844 /nfs/dbraw/zinc/07/88/44/262078844.db2.gz XLGDHNIPKOQBBG-GXSJLCMTSA-N 0 1 294.782 2.460 20 10 CECDMN C[C@H]([NH2+]CCCOCCO)c1cc(Cl)ccc1[O-] ZINC000186513864 262096413 /nfs/dbraw/zinc/09/64/13/262096413.db2.gz HDQUITMSZLWVKY-JTQLQIEISA-N 0 1 273.760 2.095 20 10 CECDMN NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000368974798 267215685 /nfs/dbraw/zinc/21/56/85/267215685.db2.gz PEHTXSIPDAVFJP-GAFUQQFSSA-N 0 1 294.782 2.131 20 10 CECDMN Oc1ccc(F)cc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369677158 267259615 /nfs/dbraw/zinc/25/96/15/267259615.db2.gz VPLBGMNMGHCRQS-IINYFYTJSA-N 0 1 251.301 2.142 20 10 CECDMN CN(C)C1(C(=O)Nc2ccc(N)cc2)Cc2ccccc2C1 ZINC000378184521 329042641 /nfs/dbraw/zinc/04/26/41/329042641.db2.gz POTNTYNGQFWHJC-UHFFFAOYSA-N 0 1 295.386 2.307 20 10 CECDMN CCOc1ccc(O)c(CN2CCOC[C@@H]2CCOC)c1 ZINC000291191181 521146492 /nfs/dbraw/zinc/14/64/92/521146492.db2.gz GQQTWEITILEACM-AWEZNQCLSA-N 0 1 295.379 2.028 20 10 CECDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@@H](C)OC ZINC000291105870 521329732 /nfs/dbraw/zinc/32/97/32/521329732.db2.gz SCVCCTFNHRRPPQ-SNVBAGLBSA-N 0 1 298.339 2.166 20 10 CECDMN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@@H](C)OC ZINC000291105870 521329739 /nfs/dbraw/zinc/32/97/39/521329739.db2.gz SCVCCTFNHRRPPQ-SNVBAGLBSA-N 0 1 298.339 2.166 20 10 CECDMN CC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000292773293 523344206 /nfs/dbraw/zinc/34/42/06/523344206.db2.gz KQXBKSGKYSWMNS-SNVBAGLBSA-N 0 1 266.297 2.293 20 10 CECDMN CC[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000292773293 523344215 /nfs/dbraw/zinc/34/42/15/523344215.db2.gz KQXBKSGKYSWMNS-SNVBAGLBSA-N 0 1 266.297 2.293 20 10 CECDMN COc1ccc(O)c(CN2C[C@@H](C)O[C@H](C3CC3)C2)c1 ZINC000280468448 524748218 /nfs/dbraw/zinc/74/82/18/524748218.db2.gz CINXODORQOFUPV-BZNIZROVSA-N 0 1 277.364 2.400 20 10 CECDMN C[C@@H]1CN(Cc2cccc(Cl)c2O)CC[S@](=O)C1 ZINC000277384594 525005920 /nfs/dbraw/zinc/00/59/20/525005920.db2.gz GNGLUBFNBMYDSV-MGNBDDOMSA-N 0 1 287.812 2.246 20 10 CECDMN Cc1cc(O)c(CN2CC[S@@](=O)C[C@H](C)C2)cc1C ZINC000277442679 525320554 /nfs/dbraw/zinc/32/05/54/525320554.db2.gz KEOYKJGADDLXAU-NSPYISDASA-N 0 1 281.421 2.209 20 10 CECDMN Cc1ccc(O)c(CN2CCCC[C@H](S(C)(=O)=O)C2)c1 ZINC000278634148 525343848 /nfs/dbraw/zinc/34/38/48/525343848.db2.gz IJGGHNXSJSICPO-AWEZNQCLSA-N 0 1 297.420 2.100 20 10 CECDMN NC(=O)C1(C[NH2+]Cc2c([O-])cccc2Cl)CCCC1 ZINC000265649799 526847216 /nfs/dbraw/zinc/84/72/16/526847216.db2.gz YEUMWYXVGOLIBL-UHFFFAOYSA-N 0 1 282.771 2.181 20 10 CECDMN O=C(CSc1nc(C2CC2)n[nH]1)c1ccc(O)c(O)c1 ZINC000030627630 527054245 /nfs/dbraw/zinc/05/42/45/527054245.db2.gz ICVGQMYQSORTRW-UHFFFAOYSA-N 0 1 291.332 2.068 20 10 CECDMN COC[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756576479 574821957 /nfs/dbraw/zinc/82/19/57/574821957.db2.gz NMHGRFZBHKLJLI-NOZJJQNGSA-N 0 1 273.760 2.094 20 10 CECDMN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1O ZINC000086760120 604465593 /nfs/dbraw/zinc/46/55/93/604465593.db2.gz HZDHFSFCOFNRRJ-HNNXBMFYSA-N 0 1 283.327 2.404 20 10 CECDMN C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1C(=O)[O-] ZINC000086774305 604666818 /nfs/dbraw/zinc/66/68/18/604666818.db2.gz BUESLUCQKLJYOI-KWQFWETISA-N 0 1 269.728 2.198 20 10 CECDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000086778749 604675878 /nfs/dbraw/zinc/67/58/78/604675878.db2.gz ZIFMHASPOZWTCI-ZDUSSCGKSA-N 0 1 269.728 2.342 20 10 CECDMN O=C([O-])N1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000834108958 605476080 /nfs/dbraw/zinc/47/60/80/605476080.db2.gz FFMAROPGCVHFDT-UHFFFAOYSA-N 0 1 284.743 2.231 20 10 CECDMN O=C([O-])N1CC[C@H]([N@@H+](Cc2cc(F)ccc2O)C2CC2)C1 ZINC000834083396 605587881 /nfs/dbraw/zinc/58/78/81/605587881.db2.gz OTRWXRZDWTYEAR-ZDUSSCGKSA-N 0 1 294.326 2.248 20 10 CECDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000833827914 605682511 /nfs/dbraw/zinc/68/25/11/605682511.db2.gz BRGRVYOEQDQUKP-TZMCWYRMSA-N 0 1 291.395 2.231 20 10 CECDMN CC[NH+](CC)CCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000891415101 623612678 /nfs/dbraw/zinc/61/26/78/623612678.db2.gz FDJITTHVVZGGAP-UHFFFAOYSA-N 0 1 299.802 2.187 20 10 CECDMN CCCCCN(CC(N)=O)Cc1cccc(OCC)c1O ZINC000180802790 628094223 /nfs/dbraw/zinc/09/42/23/628094223.db2.gz CUKRKOSTUOTXDB-UHFFFAOYSA-N 0 1 294.395 2.268 20 10 CECDMN CO[C@H]1COCC[C@H]1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840950800 628848670 /nfs/dbraw/zinc/84/86/70/628848670.db2.gz ODCIXEABQKFUHF-NHYWBVRUSA-N 0 1 299.798 2.495 20 10 CECDMN C[C@@H](NCc1csc(N)n1)c1cc(F)ccc1O ZINC000902500430 634692584 /nfs/dbraw/zinc/69/25/84/634692584.db2.gz VKRBHDBESUUUMZ-SSDOTTSWSA-N 0 1 267.329 2.421 20 10 CECDMN Oc1c(F)cc(F)cc1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000894089069 629119365 /nfs/dbraw/zinc/11/93/65/629119365.db2.gz PRJFQPODGNGMCL-ZIAGYGMSSA-N 0 1 299.317 2.050 20 10 CECDMN Cc1ccnc(N)c1CNCc1ccc(N(C)C)c(F)c1 ZINC000894209165 629222316 /nfs/dbraw/zinc/22/23/16/629222316.db2.gz OTPUOZYCUZPKMG-UHFFFAOYSA-N 0 1 288.370 2.467 20 10 CECDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccnnc1 ZINC000924901255 629236237 /nfs/dbraw/zinc/23/62/37/629236237.db2.gz RGTSUFHWIOLLQQ-LLVKDONJSA-N 0 1 255.321 2.262 20 10 CECDMN Oc1c(F)cc(F)cc1CN1CCCC2(C1)OCCO2 ZINC000894425007 629453995 /nfs/dbraw/zinc/45/39/95/629453995.db2.gz PTXNJTPCVAZZEZ-UHFFFAOYSA-N 0 1 285.290 2.009 20 10 CECDMN Cc1noc([C@@H](C)NCc2cc(F)cc(F)c2O)n1 ZINC000894543235 629523296 /nfs/dbraw/zinc/52/32/96/629523296.db2.gz OQHSKAFUSWRRBA-ZCFIWIBFSA-N 0 1 269.251 2.213 20 10 CECDMN C[N@@H+](CCCO)Cc1cc(Br)cc(F)c1[O-] ZINC000894663300 629578490 /nfs/dbraw/zinc/57/84/90/629578490.db2.gz MZUYVDFZIPIYEV-UHFFFAOYSA-N 0 1 292.148 2.108 20 10 CECDMN OCC[C@@H](NCc1cccc(Cl)c1O)C(F)(F)F ZINC000894852787 629687722 /nfs/dbraw/zinc/68/77/22/629687722.db2.gz VZGIHIWMKXYVNT-SECBINFHSA-N 0 1 283.677 2.449 20 10 CECDMN COC(=O)[C@@](C)(CCF)NCc1cc(F)cc(F)c1O ZINC000895278534 630075233 /nfs/dbraw/zinc/07/52/33/630075233.db2.gz LZRKXGDGNHSYME-CYBMUJFWSA-N 0 1 291.269 2.051 20 10 CECDMN CCN(CC)c1ccc(CN2C[C@H]3C[C@@]3(O)C2)cc1F ZINC000895649451 630283844 /nfs/dbraw/zinc/28/38/44/630283844.db2.gz QPUFRZXMIHGVMF-CZUORRHYSA-N 0 1 278.371 2.239 20 10 CECDMN COC(OC)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000895790603 630345939 /nfs/dbraw/zinc/34/59/39/630345939.db2.gz SWSHEVBDCQCBIP-VIFPVBQESA-N 0 1 273.760 2.451 20 10 CECDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824725941 635486007 /nfs/dbraw/zinc/48/60/07/635486007.db2.gz AJRGTJJTONKCDG-LBPRGKRZSA-N 0 1 295.688 2.387 20 10 CECDMN Cc1cc(O)c(CN2C[C@@H]3COC[C@H](C2)O3)cc1C(C)C ZINC000800861799 631150004 /nfs/dbraw/zinc/15/00/04/631150004.db2.gz FVUWBUSGMGIUPH-GASCZTMLSA-N 0 1 291.391 2.424 20 10 CECDMN C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841749092 631648929 /nfs/dbraw/zinc/64/89/29/631648929.db2.gz NEGSDDAYPPTWBW-MEBBXXQBSA-N 0 1 299.798 2.484 20 10 CECDMN CC[C@H]([NH2+]Cc1cnnn1C)c1cc(Cl)ccc1[O-] ZINC000806660112 631762963 /nfs/dbraw/zinc/76/29/63/631762963.db2.gz QMUHEJVMKZFUPQ-LBPRGKRZSA-N 0 1 280.759 2.415 20 10 CECDMN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000897681187 631865146 /nfs/dbraw/zinc/86/51/46/631865146.db2.gz YRUSVPLOFDNCNC-NHYWBVRUSA-N 0 1 257.333 2.358 20 10 CECDMN C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H]1O ZINC000897681187 631865151 /nfs/dbraw/zinc/86/51/51/631865151.db2.gz YRUSVPLOFDNCNC-NHYWBVRUSA-N 0 1 257.333 2.358 20 10 CECDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cncnc1 ZINC000807836170 631874753 /nfs/dbraw/zinc/87/47/53/631874753.db2.gz PZQQYDRYUGRBLP-UHFFFAOYSA-N 0 1 298.129 2.419 20 10 CECDMN CC[N@@H+](CCC(=O)NC)Cc1c([O-])ccc(Cl)c1F ZINC000897709601 631880722 /nfs/dbraw/zinc/88/07/22/631880722.db2.gz GGNHPSCJJCEJJO-UHFFFAOYSA-N 0 1 288.750 2.143 20 10 CECDMN COc1nn(C)cc1CNCc1cc(Cl)ccc1O ZINC000898028048 632022259 /nfs/dbraw/zinc/02/22/59/632022259.db2.gz HYFOJHQLTLWLTB-UHFFFAOYSA-N 0 1 281.743 2.078 20 10 CECDMN COc1nn(C)cc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000898028048 632022261 /nfs/dbraw/zinc/02/22/61/632022261.db2.gz HYFOJHQLTLWLTB-UHFFFAOYSA-N 0 1 281.743 2.078 20 10 CECDMN CO[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816513287 633405592 /nfs/dbraw/zinc/40/55/92/633405592.db2.gz LWCATZPRPJUNRX-VIFPVBQESA-N 0 1 259.708 2.405 20 10 CECDMN [O-]c1c(C[NH2+]CCN2CCC2)ccc2ccccc21 ZINC000816557922 633412184 /nfs/dbraw/zinc/41/21/84/633412184.db2.gz GUBXYFNWQSBFEZ-UHFFFAOYSA-N 0 1 256.349 2.341 20 10 CECDMN C[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC[C@@H]1O ZINC000816574989 633416140 /nfs/dbraw/zinc/41/61/40/633416140.db2.gz YQQODRUZYAVXDW-UFBFGSQYSA-N 0 1 273.735 2.387 20 10 CECDMN COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@@H]21 ZINC000816617456 633451290 /nfs/dbraw/zinc/45/12/90/633451290.db2.gz ZSPQBWVNAIPYPC-ZSHCYNCHSA-N 0 1 297.354 2.396 20 10 CECDMN COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]21 ZINC000816617456 633451292 /nfs/dbraw/zinc/45/12/92/633451292.db2.gz ZSPQBWVNAIPYPC-ZSHCYNCHSA-N 0 1 297.354 2.396 20 10 CECDMN COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]21 ZINC000816617456 633451294 /nfs/dbraw/zinc/45/12/94/633451294.db2.gz ZSPQBWVNAIPYPC-ZSHCYNCHSA-N 0 1 297.354 2.396 20 10 CECDMN C[C@@H]1C[C@@H](CO)C[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000817413327 633651971 /nfs/dbraw/zinc/65/19/71/633651971.db2.gz WKPKYSJEJLZCIT-GHMZBOCLSA-N 0 1 269.772 2.496 20 10 CECDMN C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000817413327 633651976 /nfs/dbraw/zinc/65/19/76/633651976.db2.gz WKPKYSJEJLZCIT-GHMZBOCLSA-N 0 1 269.772 2.496 20 10 CECDMN C[C@@H](NC1C[NH2+]C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000817956140 633799451 /nfs/dbraw/zinc/79/94/51/633799451.db2.gz RPLNHDNGTUDUEV-ZCFIWIBFSA-N 0 1 261.152 2.321 20 10 CECDMN C[C@@H]([NH2+]C[C@H](C)N)c1cc(Br)cc(F)c1[O-] ZINC000817971296 633813460 /nfs/dbraw/zinc/81/34/60/633813460.db2.gz CATFFRHOYNMZMH-NKWVEPMBSA-N 0 1 291.164 2.292 20 10 CECDMN Cc1cc(O)c(CNc2n[nH]c(N(C)C)n2)c(Cl)c1 ZINC000818215109 633886716 /nfs/dbraw/zinc/88/67/16/633886716.db2.gz XQVLQRZLCFPPNV-UHFFFAOYSA-N 0 1 281.747 2.150 20 10 CECDMN COc1c([O-])c(C[N@@H+]2CC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000824650684 635470030 /nfs/dbraw/zinc/47/00/30/635470030.db2.gz OWNJUDKOLDMEHA-NSHDSACASA-N 0 1 278.308 2.293 20 10 CECDMN COc1c([O-])c(C[N@H+]2CC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000824650684 635470034 /nfs/dbraw/zinc/47/00/34/635470034.db2.gz OWNJUDKOLDMEHA-NSHDSACASA-N 0 1 278.308 2.293 20 10 CECDMN Cc1cc(O)c(C[N@@H+](C)CCN2CCOCC2)cc1Cl ZINC000824693247 635478403 /nfs/dbraw/zinc/47/84/03/635478403.db2.gz DRFYCBCLMXNSEG-UHFFFAOYSA-N 0 1 298.814 2.118 20 10 CECDMN Cc1cc([O-])c(C[N@H+](C)CCN2CCOCC2)cc1Cl ZINC000824693247 635478408 /nfs/dbraw/zinc/47/84/08/635478408.db2.gz DRFYCBCLMXNSEG-UHFFFAOYSA-N 0 1 298.814 2.118 20 10 CECDMN Cc1cc([O-])c(C[N@@H+](C)CCN2CCOCC2)cc1Cl ZINC000824693247 635478414 /nfs/dbraw/zinc/47/84/14/635478414.db2.gz DRFYCBCLMXNSEG-UHFFFAOYSA-N 0 1 298.814 2.118 20 10 CECDMN CCc1ncc(CNCc2cc(F)ccc2O)o1 ZINC000825079592 635559215 /nfs/dbraw/zinc/55/92/15/635559215.db2.gz WADKRQKXOMCCOR-UHFFFAOYSA-N 0 1 250.273 2.372 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCN2CCC2)cc1Cl ZINC000825366050 635625224 /nfs/dbraw/zinc/62/52/24/635625224.db2.gz QSPOUEXVPFRVMS-UHFFFAOYSA-N 0 1 254.761 2.149 20 10 CECDMN CNC(=O)C(C)(C)C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825375687 635627598 /nfs/dbraw/zinc/62/75/98/635627598.db2.gz PMUFXXCWRKWZPD-UHFFFAOYSA-N 0 1 284.787 2.216 20 10 CECDMN Cc1c(NC(=O)c2c(F)ccc(O)c2O)n[nH]c1C1CC1 ZINC000825637199 635682865 /nfs/dbraw/zinc/68/28/65/635682865.db2.gz PTICZIWIKIBLFV-UHFFFAOYSA-N 0 1 291.282 2.398 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCc2cn[nH]c2)cc1Cl ZINC000825944564 635737077 /nfs/dbraw/zinc/73/70/77/635737077.db2.gz YGAGZTAGRXPRKJ-UHFFFAOYSA-N 0 1 265.744 2.409 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1Cl ZINC000826120461 635763335 /nfs/dbraw/zinc/76/33/35/635763335.db2.gz DPUJLHPNBJNLRD-BXUZGUMPSA-N 0 1 299.798 2.231 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCOCCF)cc1Cl ZINC000827951411 636467910 /nfs/dbraw/zinc/46/79/10/636467910.db2.gz YQCLKEMDFONRNT-UHFFFAOYSA-N 0 1 261.724 2.430 20 10 CECDMN CC(C)N1CCC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000832296759 637537439 /nfs/dbraw/zinc/53/74/39/637537439.db2.gz NRIABJGYBCUZMO-JTQLQIEISA-N 0 1 268.382 2.056 20 10 CECDMN CC[C@H](O)CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000832713220 637649882 /nfs/dbraw/zinc/64/98/82/637649882.db2.gz LYZZDIFBQPFCIC-VIFPVBQESA-N 0 1 292.162 2.476 20 10 CECDMN CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876782573 650429411 /nfs/dbraw/zinc/42/94/11/650429411.db2.gz QTPWFZIYMRLDPM-LLVKDONJSA-N 0 1 284.350 2.444 20 10 CECDMN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840907795 639580696 /nfs/dbraw/zinc/58/06/96/639580696.db2.gz QYGDQBJREQWZST-MFKMUULPSA-N 0 1 296.798 2.358 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@H]2CN(C)CCO2)c(Cl)c1 ZINC000840909429 639582317 /nfs/dbraw/zinc/58/23/17/639582317.db2.gz RWINTVWJOFEOOQ-IAQYHMDHSA-N 0 1 298.814 2.163 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c(Cl)c1 ZINC000840909428 639583057 /nfs/dbraw/zinc/58/30/57/639583057.db2.gz RWINTVWJOFEOOQ-ABAIWWIYSA-N 0 1 298.814 2.163 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c(Cl)c1 ZINC000840916577 639584857 /nfs/dbraw/zinc/58/48/57/639584857.db2.gz KPYLJJHPPVWDCL-NSHDSACASA-N 0 1 296.798 2.441 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c(Cl)c1 ZINC000840916577 639584861 /nfs/dbraw/zinc/58/48/61/639584861.db2.gz KPYLJJHPPVWDCL-NSHDSACASA-N 0 1 296.798 2.441 20 10 CECDMN CN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000227440233 639590366 /nfs/dbraw/zinc/59/03/66/639590366.db2.gz JICOKJDODZEUND-GFCCVEGCSA-N 0 1 254.761 2.229 20 10 CECDMN [O-]c1ccc(Br)cc1C[NH2+]CCn1cccn1 ZINC000227438872 639590720 /nfs/dbraw/zinc/59/07/20/639590720.db2.gz SSGROHQETVKGPD-UHFFFAOYSA-N 0 1 296.168 2.141 20 10 CECDMN CN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000227440242 639590742 /nfs/dbraw/zinc/59/07/42/639590742.db2.gz JICOKJDODZEUND-LBPRGKRZSA-N 0 1 254.761 2.229 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](n3cncn3)C2)c(Cl)c1 ZINC000840937507 639592014 /nfs/dbraw/zinc/59/20/14/639592014.db2.gz ICVWLUGBPIKJCU-LLVKDONJSA-N 0 1 292.770 2.393 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](n3cncn3)C2)c(Cl)c1 ZINC000840937507 639592018 /nfs/dbraw/zinc/59/20/18/639592018.db2.gz ICVWLUGBPIKJCU-LLVKDONJSA-N 0 1 292.770 2.393 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCCc2cnn(C)n2)c(Cl)c1 ZINC000840948995 639598089 /nfs/dbraw/zinc/59/80/89/639598089.db2.gz LUCBGHGPZYJFGM-UHFFFAOYSA-N 0 1 294.786 2.205 20 10 CECDMN COC[C@](C)(O)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840950419 639599170 /nfs/dbraw/zinc/59/91/70/639599170.db2.gz IBXXSDCYVWIKBN-CQSZACIVSA-N 0 1 287.787 2.231 20 10 CECDMN COC(=O)[C@H](CC1CC1)NCc1cccc(Cl)c1O ZINC000840957211 639601335 /nfs/dbraw/zinc/60/13/35/639601335.db2.gz JQQBVNCDZLTNIL-LBPRGKRZSA-N 0 1 283.755 2.477 20 10 CECDMN O=C([O-])[C@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000840995803 639610862 /nfs/dbraw/zinc/61/08/62/639610862.db2.gz YXBITUUYZVGZDN-SNVBAGLBSA-N 0 1 273.691 2.234 20 10 CECDMN O=C([O-])[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000840995803 639610864 /nfs/dbraw/zinc/61/08/64/639610864.db2.gz YXBITUUYZVGZDN-SNVBAGLBSA-N 0 1 273.691 2.234 20 10 CECDMN C[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000840998464 639611471 /nfs/dbraw/zinc/61/14/71/639611471.db2.gz CYJVZMAOJQGXFT-CYBMUJFWSA-N 0 1 287.718 2.481 20 10 CECDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000840998464 639611477 /nfs/dbraw/zinc/61/14/77/639611477.db2.gz CYJVZMAOJQGXFT-CYBMUJFWSA-N 0 1 287.718 2.481 20 10 CECDMN CCN1C[C@@H](C)N(C(=O)Nc2ccc(N)cc2)C[C@H]1C ZINC000841297851 639731918 /nfs/dbraw/zinc/73/19/18/639731918.db2.gz IYEHVIURNQXSRK-VXGBXAGGSA-N 0 1 276.384 2.215 20 10 CECDMN CCn1cnnc1CN[C@H](C)c1cc(C)ccc1O ZINC000230658822 639780000 /nfs/dbraw/zinc/78/00/00/639780000.db2.gz QDXRFDVGQTYNHB-LLVKDONJSA-N 0 1 260.341 2.163 20 10 CECDMN C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841748367 639856812 /nfs/dbraw/zinc/85/68/12/639856812.db2.gz XBISIOMNDISBJQ-NWDGAFQWSA-N 0 1 298.814 2.417 20 10 CECDMN C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(Cl)cc1[O-] ZINC000841748535 639857386 /nfs/dbraw/zinc/85/73/86/639857386.db2.gz AMMCJSMZCQNGEE-XPTSAGLGSA-N 0 1 295.770 2.163 20 10 CECDMN C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841753367 639858079 /nfs/dbraw/zinc/85/80/79/639858079.db2.gz SKXUPLFQKOWSHO-IMSIIYSGSA-N 0 1 285.771 2.236 20 10 CECDMN C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(Cl)cc1[O-] ZINC000841752463 639859179 /nfs/dbraw/zinc/85/91/79/639859179.db2.gz TVKMKQGUWOHRDW-ZANVPECISA-N 0 1 295.770 2.163 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@](C)(O)C2)c(Cl)c1 ZINC000841890987 639900846 /nfs/dbraw/zinc/90/08/46/639900846.db2.gz LNFZKBMOTUIIIS-SWZMTVOYSA-N 0 1 255.745 2.357 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[NH2+]C[C@H]2C)c1[O-] ZINC000842474802 640073433 /nfs/dbraw/zinc/07/34/33/640073433.db2.gz XELFTLBFINUNGR-VHSXEESVSA-N 0 1 296.798 2.430 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c1[O-] ZINC000842475824 640075463 /nfs/dbraw/zinc/07/54/63/640075463.db2.gz VBPVOLQPKCKLNS-AMIZOPFISA-N 0 1 282.771 2.027 20 10 CECDMN CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000842912063 640220417 /nfs/dbraw/zinc/22/04/17/640220417.db2.gz PLJPHZIXRMCLBL-XTWCZFFVSA-N 0 1 271.744 2.110 20 10 CECDMN CN(C(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(N)cc1 ZINC000877077250 650562138 /nfs/dbraw/zinc/56/21/38/650562138.db2.gz AIPLQBGCRRKPLH-LBPRGKRZSA-N 0 1 270.336 2.075 20 10 CECDMN C[NH2+]C[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000843349210 640398201 /nfs/dbraw/zinc/39/82/01/640398201.db2.gz LWWHZPSTGCLNFI-LLVKDONJSA-N 0 1 296.798 2.290 20 10 CECDMN COC(=O)c1cnc(SC[C@@H]2CCCN2C)s1 ZINC000917778784 640916918 /nfs/dbraw/zinc/91/69/18/640916918.db2.gz UPIBNSMORMTGMM-QMMMGPOBSA-N 0 1 272.395 2.116 20 10 CECDMN [O-]c1c(C[NH2+]CC[C@]2(O)CCOC2)ccc2ccccc21 ZINC000846048414 641164672 /nfs/dbraw/zinc/16/46/72/641164672.db2.gz GQNNYUVMRYWEQO-KRWDZBQOSA-N 0 1 287.359 2.177 20 10 CECDMN CCN(C)c1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000846227235 641234459 /nfs/dbraw/zinc/23/44/59/641234459.db2.gz KKLOJHRXGQJYKP-ZDUSSCGKSA-N 0 1 262.353 2.049 20 10 CECDMN C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)c1ccccc1O ZINC000877256315 650644297 /nfs/dbraw/zinc/64/42/97/650644297.db2.gz RZRFSGNXWJHJDE-MLGOLLRUSA-N 0 1 296.370 2.284 20 10 CECDMN C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877409261 650710763 /nfs/dbraw/zinc/71/07/63/650710763.db2.gz ONXPVPDQPZDQQE-VHSXEESVSA-N 0 1 270.323 2.195 20 10 CECDMN CN1CCN(c2ccc(CNCC(F)(F)F)cc2)CC1 ZINC000107797501 642103209 /nfs/dbraw/zinc/10/32/09/642103209.db2.gz DUSWSRGZXPEHPQ-UHFFFAOYSA-N 0 1 287.329 2.090 20 10 CECDMN CCc1cccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1O ZINC000848911953 642186581 /nfs/dbraw/zinc/18/65/81/642186581.db2.gz ZVHMURBJKCDFMA-KRWDZBQOSA-N 0 1 291.391 2.336 20 10 CECDMN CCc1cccc(CN2CCOC[C@H]2CCOC)c1O ZINC000848913072 642187576 /nfs/dbraw/zinc/18/75/76/642187576.db2.gz NOUWKEJMJQMVQD-OAHLLOKOSA-N 0 1 279.380 2.192 20 10 CECDMN O[C@H](CNCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000921590121 642253559 /nfs/dbraw/zinc/25/35/59/642253559.db2.gz YDVFXFBHDKGRGC-GFCCVEGCSA-N 0 1 275.270 2.024 20 10 CECDMN CC(C)(C)n1ncnc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877501149 650753336 /nfs/dbraw/zinc/75/33/36/650753336.db2.gz JYOWGQDCTYKOOZ-UHFFFAOYSA-N 0 1 296.321 2.307 20 10 CECDMN Cc1cc(O)c(CN[C@H]2C[C@H](C)n3ncnc32)cc1C ZINC000850352527 642678911 /nfs/dbraw/zinc/67/89/11/642678911.db2.gz ZSOJBHISONZIGT-AAEUAGOBSA-N 0 1 272.352 2.396 20 10 CECDMN CCn1ccc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000850363712 642682911 /nfs/dbraw/zinc/68/29/11/642682911.db2.gz JPJBXVCAEMUHKB-UHFFFAOYSA-N 0 1 299.422 2.267 20 10 CECDMN CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877553263 650784056 /nfs/dbraw/zinc/78/40/56/650784056.db2.gz MCQLTHJRSSJYCY-NSHDSACASA-N 0 1 270.323 2.196 20 10 CECDMN CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877553262 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O=C1CN(Cc2cc(-c3ccccc3)ccc2O)CCCN1 ZINC000769115960 646209389 /nfs/dbraw/zinc/20/93/89/646209389.db2.gz QRJBVYSBXFBZNU-UHFFFAOYSA-N 0 1 296.370 2.381 20 10 CECDMN CCN1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862211549 646364636 /nfs/dbraw/zinc/36/46/36/646364636.db2.gz JRPCZUAZUCXGJY-UHFFFAOYSA-N 0 1 283.366 2.168 20 10 CECDMN CN(C)c1cc(F)c(CN(C)CC(C)(C)CO)cc1F ZINC000862385121 646430210 /nfs/dbraw/zinc/43/02/10/646430210.db2.gz PGESOYMWULBVPI-UHFFFAOYSA-N 0 1 286.366 2.481 20 10 CECDMN CN(Cc1c(O)cccc1Br)C1(CO)CC1 ZINC000862417731 646452730 /nfs/dbraw/zinc/45/27/30/646452730.db2.gz HLBJWVSRTAPOTH-UHFFFAOYSA-N 0 1 286.169 2.111 20 10 CECDMN COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000862465594 646470570 /nfs/dbraw/zinc/47/05/70/646470570.db2.gz RTMHLPCYNRSANN-GFCCVEGCSA-N 0 1 281.739 2.397 20 10 CECDMN CCc1nc(CN(C)c2ccc(OC)c(OC)c2)n[nH]1 ZINC000771756574 646548338 /nfs/dbraw/zinc/54/83/38/646548338.db2.gz OLJHLWPVZITWFC-UHFFFAOYSA-N 0 1 276.340 2.021 20 10 CECDMN C[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccccc1O ZINC000775135861 646926209 /nfs/dbraw/zinc/92/62/09/646926209.db2.gz GZUKVHLEEZHBKT-NHYWBVRUSA-N 0 1 270.332 2.269 20 10 CECDMN Cn1cnc2c1CCN(Cc1cc(Cl)cc(F)c1O)C2 ZINC000775630485 646974019 /nfs/dbraw/zinc/97/40/19/646974019.db2.gz LTMKTSPMTNEOAC-UHFFFAOYSA-N 0 1 295.745 2.477 20 10 CECDMN COC(=O)[C@H]1CCCN1Cc1cc(Cl)cc(F)c1O ZINC000775647913 646975712 /nfs/dbraw/zinc/97/57/12/646975712.db2.gz HNPQGIPJBIOTNO-LLVKDONJSA-N 0 1 287.718 2.322 20 10 CECDMN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cocn1 ZINC000776188572 647033739 /nfs/dbraw/zinc/03/37/39/647033739.db2.gz WOGNQIFYTYEZDJ-UHFFFAOYSA-N 0 1 256.664 2.463 20 10 CECDMN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779088639 647286687 /nfs/dbraw/zinc/28/66/87/647286687.db2.gz SPIJDKVWCPCRTD-ZWNOBZJWSA-N 0 1 255.333 2.418 20 10 CECDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@@H](O)C(F)(F)F ZINC000865712469 647435080 /nfs/dbraw/zinc/43/50/80/647435080.db2.gz YHSMYVMMLVPYEX-QPUJVOFHSA-N 0 1 294.292 2.293 20 10 CECDMN COc1cccc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O ZINC000783738381 647754922 /nfs/dbraw/zinc/75/49/22/647754922.db2.gz SYLMFSYUQAUFJL-SRVKXCTJSA-N 0 1 265.353 2.399 20 10 CECDMN COc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000784667831 647873412 /nfs/dbraw/zinc/87/34/12/647873412.db2.gz MDOWUUKXESGVFV-ABAIWWIYSA-N 0 1 265.353 2.258 20 10 CECDMN O=C(c1c(F)ccc(O)c1O)N1CCc2ccccc21 ZINC000789939147 648360525 /nfs/dbraw/zinc/36/05/25/648360525.db2.gz LFLNCASKKRIVMS-UHFFFAOYSA-N 0 1 273.263 2.440 20 10 CECDMN C[C@H](NCc1c(O)ccc(Cl)c1F)c1nncn1C ZINC000790959985 648464461 /nfs/dbraw/zinc/46/44/61/648464461.db2.gz QAJRKNYNYCIEIE-ZETCQYMHSA-N 0 1 284.722 2.164 20 10 CECDMN CN1CCCC(C)(C)[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000791058216 648477977 /nfs/dbraw/zinc/47/79/77/648477977.db2.gz BRXJZHZVYPFAHJ-LBPRGKRZSA-N 0 1 282.409 2.304 20 10 CECDMN COc1ccc(CNC(=O)c2ccc(F)cc2O)c(O)c1 ZINC000794378440 648860005 /nfs/dbraw/zinc/86/00/05/648860005.db2.gz SVYKWHNTYDBIEN-UHFFFAOYSA-N 0 1 291.278 2.176 20 10 CECDMN CC[C@H]1COCCN1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000873187850 649582180 /nfs/dbraw/zinc/58/21/80/649582180.db2.gz BGPZUSJOWZQMBC-LBPRGKRZSA-N 0 1 298.814 2.246 20 10 CECDMN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N(C)C ZINC000873967456 649733710 /nfs/dbraw/zinc/73/37/10/649733710.db2.gz GYFHSDQAUAMVSA-CYBMUJFWSA-N 0 1 289.423 2.194 20 10 CECDMN CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c(O)c1 ZINC000874044572 649740272 /nfs/dbraw/zinc/74/02/72/649740272.db2.gz FUIIINFQGTVPPX-LBPRGKRZSA-N 0 1 279.336 2.088 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c1[O-] ZINC000880145155 651392064 /nfs/dbraw/zinc/39/20/64/651392064.db2.gz HZCDCZPKGOHTCN-GFCCVEGCSA-N 0 1 295.354 2.327 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c1[O-] ZINC000880145155 651392065 /nfs/dbraw/zinc/39/20/65/651392065.db2.gz HZCDCZPKGOHTCN-GFCCVEGCSA-N 0 1 295.354 2.327 20 10 CECDMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000881431547 651720836 /nfs/dbraw/zinc/72/08/36/651720836.db2.gz UEXIGOHBDHSRAH-GWCFXTLKSA-N 0 1 297.358 2.324 20 10 CECDMN CC(C)NC(=O)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000134652458 652868314 /nfs/dbraw/zinc/86/83/14/652868314.db2.gz AZAGHSGWNMTSPI-UHFFFAOYSA-N 0 1 270.760 2.050 20 10 CECDMN COCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000134906141 652886980 /nfs/dbraw/zinc/88/69/80/652886980.db2.gz FHZLZXXPBSEVSC-MRVPVSSYSA-N 0 1 274.158 2.452 20 10 CECDMN C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142525073 806618516 /nfs/dbraw/zinc/61/85/16/806618516.db2.gz WAKAIZQAGFHRFC-PSASIEDQSA-N 0 1 257.280 2.016 20 10 CECDMN CN(CC[NH+]1CCCC1)Cc1cc(F)c(F)cc1[O-] ZINC001142527141 806619469 /nfs/dbraw/zinc/61/94/69/806619469.db2.gz MCRCDMYUOJZBGB-UHFFFAOYSA-N 0 1 270.323 2.198 20 10 CECDMN C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(Br)cc1[O-] ZINC000382327557 802632968 /nfs/dbraw/zinc/63/29/68/802632968.db2.gz VNASZFKZKGIVHR-AVPPRXQKSA-N 0 1 286.169 2.329 20 10 CECDMN [O-]c1c(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc(F)c1F ZINC000703347425 809643689 /nfs/dbraw/zinc/64/36/89/809643689.db2.gz JDEOFRJPUPBLHS-STQMWFEESA-N 0 1 282.334 2.387 20 10 CECDMN [O-]c1c(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc(F)c1F ZINC000703347425 809643692 /nfs/dbraw/zinc/64/36/92/809643692.db2.gz JDEOFRJPUPBLHS-STQMWFEESA-N 0 1 282.334 2.387 20 10 CECDMN C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1[O-])N(C)C ZINC000703379318 809645565 /nfs/dbraw/zinc/64/55/65/809645565.db2.gz HZKBJPPGVVMHQE-SECBINFHSA-N 0 1 258.312 2.100 20 10 CECDMN C[C@@]1([NH2+]Cc2c([O-])cccc2Br)CCOC1 ZINC000706868316 802847034 /nfs/dbraw/zinc/84/70/34/802847034.db2.gz FADBNYHLLXNXIV-GFCCVEGCSA-N 0 1 286.169 2.423 20 10 CECDMN C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC000383286503 802903196 /nfs/dbraw/zinc/90/31/96/802903196.db2.gz UIARZGKNIBWYNO-SWLSCSKDSA-N 0 1 276.380 2.295 20 10 CECDMN CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000694329040 803534240 /nfs/dbraw/zinc/53/42/40/803534240.db2.gz HEURKECEPHMLAR-NEPJUHHUSA-N 0 1 286.169 2.422 20 10 CECDMN O=C([O-])[C@@H](CCF)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC001118369208 815006991 /nfs/dbraw/zinc/00/69/91/815006991.db2.gz ZROTZDXTHIDBTI-MRVPVSSYSA-N 0 1 279.670 2.087 20 10 CECDMN O=C1CCN(Cc2cccc(Cl)c2O)CC1(F)F ZINC001231912522 807196632 /nfs/dbraw/zinc/19/66/32/807196632.db2.gz KOZIJEXPOLLPPN-UHFFFAOYSA-N 0 1 275.682 2.456 20 10 CECDMN COc1ccc(O)c([C@@H](C)NCc2nccnc2C)c1 ZINC000699907634 807905701 /nfs/dbraw/zinc/90/57/01/807905701.db2.gz CGDYZUYJOSZEGH-SNVBAGLBSA-N 0 1 273.336 2.350 20 10 CECDMN O=C([O-])[C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000701548585 809442868 /nfs/dbraw/zinc/44/28/68/809442868.db2.gz JBADHVNPCHHDQZ-SWLSCSKDSA-N 0 1 261.321 2.079 20 10 CECDMN CN1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703327110 809638308 /nfs/dbraw/zinc/63/83/08/809638308.db2.gz GGTZPVWCGNBQNP-JTQLQIEISA-N 0 1 270.323 2.102 20 10 CECDMN COc1cncc(CNCc2ccc3c(c2)CCO3)c1 ZINC000704139498 809723316 /nfs/dbraw/zinc/72/33/16/809723316.db2.gz BGCGYPILOVJZAY-UHFFFAOYSA-N 0 1 270.332 2.315 20 10 CECDMN COCCC[NH2+]Cc1c([O-])cccc1Br ZINC000706829122 809855290 /nfs/dbraw/zinc/85/52/90/809855290.db2.gz LQCLQXUWQXZNCG-UHFFFAOYSA-N 0 1 274.158 2.281 20 10 CECDMN CN1CCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Br ZINC000706855614 809857406 /nfs/dbraw/zinc/85/74/06/809857406.db2.gz IFLZOTOYDDSCBR-SNVBAGLBSA-N 0 1 299.212 2.339 20 10 CECDMN CN1CCC[C@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC000706855626 809857929 /nfs/dbraw/zinc/85/79/29/809857929.db2.gz IOKZQZZPXAZRJW-JTQLQIEISA-N 0 1 299.212 2.339 20 10 CECDMN CC[N@H+]1CCN(Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000708397967 809928727 /nfs/dbraw/zinc/92/87/27/809928727.db2.gz DQPHJUPGPOCJOB-JTQLQIEISA-N 0 1 270.323 2.196 20 10 CECDMN CCO[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708402171 809930366 /nfs/dbraw/zinc/93/03/66/809930366.db2.gz VDOJYVMIZHZEMO-NSHDSACASA-N 0 1 257.280 2.281 20 10 CECDMN CN(C)CC(C)(C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708516489 809944337 /nfs/dbraw/zinc/94/43/37/809944337.db2.gz IVJCGBMKGZLYDF-UHFFFAOYSA-N 0 1 272.339 2.348 20 10 CECDMN CC[C@@H](C)OCC[C@@H](C)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001172323158 815372808 /nfs/dbraw/zinc/37/28/08/815372808.db2.gz GISUKJWJTCWNNO-VXGBXAGGSA-N 0 1 295.379 2.464 20 10 CECDMN C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(Br)ccc1[O-] ZINC000378720499 810666412 /nfs/dbraw/zinc/66/64/12/810666412.db2.gz FVGTWFMTADDOAH-NYRNMGCKSA-N 0 1 286.169 2.329 20 10 CECDMN CCOc1cccc(CNCc2conc2C)c1O ZINC000397963802 813649499 /nfs/dbraw/zinc/64/94/99/813649499.db2.gz WKZJKCRGVQFRKS-UHFFFAOYSA-N 0 1 262.309 2.377 20 10 CECDMN C[C@]1(F)CCN(Cc2c(O)cc(O)cc2O)C[C@H]1F ZINC001144504099 814092152 /nfs/dbraw/zinc/09/21/52/814092152.db2.gz LSPFYFGBVALFLJ-OLZOCXBDSA-N 0 1 273.279 2.075 20 10 CECDMN [O-]c1cccc(F)c1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001137831854 815691295 /nfs/dbraw/zinc/69/12/95/815691295.db2.gz PYTJMJSIPJHDEY-AWEZNQCLSA-N 0 1 271.307 2.218 20 10 CECDMN COC(=O)C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137839857 815694954 /nfs/dbraw/zinc/69/49/54/815694954.db2.gz MJUZWDDOHHVHNJ-NSHDSACASA-N 0 1 281.327 2.306 20 10 CECDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001138124050 815731821 /nfs/dbraw/zinc/73/18/21/815731821.db2.gz WZZDRTJJPARYMM-MFKMUULPSA-N 0 1 251.301 2.142 20 10 CECDMN COC1(C)C[NH+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139126397 815965721 /nfs/dbraw/zinc/96/57/21/815965721.db2.gz FOYVPHQAMVGZOJ-UHFFFAOYSA-N 0 1 289.331 2.028 20 10 CECDMN CC[N@H+](CCN(C)C)Cc1c(F)ccc(F)c1[O-] ZINC001139685890 816081603 /nfs/dbraw/zinc/08/16/03/816081603.db2.gz ZZHCCRACFJBRNO-UHFFFAOYSA-N 0 1 258.312 2.054 20 10 CECDMN CC[N@@H+](CCN(C)C)Cc1c(F)ccc(F)c1[O-] ZINC001139685890 816081606 /nfs/dbraw/zinc/08/16/06/816081606.db2.gz ZZHCCRACFJBRNO-UHFFFAOYSA-N 0 1 258.312 2.054 20 10 CECDMN CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2c(F)ccc(F)c2[O-])C1 ZINC001139687853 816084235 /nfs/dbraw/zinc/08/42/35/816084235.db2.gz RUWCEJCKEDAXRG-LLVKDONJSA-N 0 1 298.333 2.113 20 10 CECDMN CC(=O)N1CCC([N@H+](C)Cc2c([O-])cccc2Cl)CC1 ZINC001140341550 816237509 /nfs/dbraw/zinc/23/75/09/816237509.db2.gz VVHIIQJXDHMRNP-UHFFFAOYSA-N 0 1 296.798 2.488 20 10 CECDMN CC(=O)N1CCC([N@@H+](C)Cc2c([O-])cccc2Cl)CC1 ZINC001140341550 816237511 /nfs/dbraw/zinc/23/75/11/816237511.db2.gz VVHIIQJXDHMRNP-UHFFFAOYSA-N 0 1 296.798 2.488 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001140338558 816238872 /nfs/dbraw/zinc/23/88/72/816238872.db2.gz LKLMIDPRODCZBG-DGCLKSJQSA-N 0 1 253.729 2.409 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001140338558 816238877 /nfs/dbraw/zinc/23/88/77/816238877.db2.gz LKLMIDPRODCZBG-DGCLKSJQSA-N 0 1 253.729 2.409 20 10 CECDMN CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461604 816259596 /nfs/dbraw/zinc/25/95/96/816259596.db2.gz NFAVKZUVWOPCQX-UHFFFAOYSA-N 0 1 282.771 2.146 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCc2nccn2CC1 ZINC001140465236 816261067 /nfs/dbraw/zinc/26/10/67/816261067.db2.gz JFEHWSVLOXLJLJ-UHFFFAOYSA-N 0 1 277.755 2.300 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCc2nccn2CC1 ZINC001140465236 816261072 /nfs/dbraw/zinc/26/10/72/816261072.db2.gz JFEHWSVLOXLJLJ-UHFFFAOYSA-N 0 1 277.755 2.300 20 10 CECDMN C[N@H+]1CCC[C@@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@@H]21 ZINC001140585259 816294358 /nfs/dbraw/zinc/29/43/58/816294358.db2.gz BUMAKRPKSAXAAI-YGRLFVJLSA-N 0 1 282.334 2.196 20 10 CECDMN CN1CCC[C@@H]2C[N@H+](Cc3c([O-])cc(F)cc3F)C[C@@H]21 ZINC001140585259 816294361 /nfs/dbraw/zinc/29/43/61/816294361.db2.gz BUMAKRPKSAXAAI-YGRLFVJLSA-N 0 1 282.334 2.196 20 10 CECDMN CN1CCC[C@@H]2C[N@@H+](Cc3c([O-])cc(F)cc3F)C[C@@H]21 ZINC001140585259 816294364 /nfs/dbraw/zinc/29/43/64/816294364.db2.gz BUMAKRPKSAXAAI-YGRLFVJLSA-N 0 1 282.334 2.196 20 10 CECDMN Cc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)c(O)c1 ZINC001140952094 816423331 /nfs/dbraw/zinc/42/33/31/816423331.db2.gz DYBWMJMYDAOBMN-QGZVFWFLSA-N 0 1 288.391 2.287 20 10 CECDMN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1ccc(C)cc1O ZINC001140955434 816424168 /nfs/dbraw/zinc/42/41/68/816424168.db2.gz WXDALYJWLGKFDQ-ZLDLUXBVSA-N 0 1 275.348 2.227 20 10 CECDMN c1c(CN2CC3(COC3)C2)cc2c3c1CCCN3CCC2 ZINC001141074787 816469647 /nfs/dbraw/zinc/46/96/47/816469647.db2.gz SPSVAHUKAYZXBA-UHFFFAOYSA-N 0 1 284.403 2.218 20 10 CECDMN O=C(NCc1ccc2nc[nH]c2c1)C1=CC(=O)CS1 ZINC001141229830 816508421 /nfs/dbraw/zinc/50/84/21/816508421.db2.gz SUULWJBYVYJKTA-UHFFFAOYSA-N 0 1 273.317 2.260 20 10 CECDMN C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142508670 816677543 /nfs/dbraw/zinc/67/75/43/816677543.db2.gz HEWHSVWSJYKLMN-VHSXEESVSA-N 0 1 271.307 2.263 20 10 CECDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001142508519 816677563 /nfs/dbraw/zinc/67/75/63/816677563.db2.gz BPEAVQSKDRRDPU-SNVBAGLBSA-N 0 1 257.280 2.017 20 10 CECDMN CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524672 816679468 /nfs/dbraw/zinc/67/94/68/816679468.db2.gz GCXICCGHVLNFBL-SECBINFHSA-N 0 1 285.290 2.055 20 10 CECDMN CCN(Cc1cnn(C)c1)Cc1cccc(OC)c1O ZINC000092438025 364076665 /nfs/dbraw/zinc/07/66/65/364076665.db2.gz UQYLONNFPNAYNK-UHFFFAOYSA-N 0 1 275.352 2.156 20 10 CECDMN Cc1cc(O)c(CN(C)Cc2cnccn2)cc1C ZINC000092591116 364086399 /nfs/dbraw/zinc/08/63/99/364086399.db2.gz SCGWAPOTKSDPJO-UHFFFAOYSA-N 0 1 257.337 2.431 20 10 CECDMN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093813698 364231261 /nfs/dbraw/zinc/23/12/61/364231261.db2.gz UEGBENAQPXNLES-CQSZACIVSA-N 0 1 283.755 2.431 20 10 CECDMN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093813698 364231265 /nfs/dbraw/zinc/23/12/65/364231265.db2.gz UEGBENAQPXNLES-CQSZACIVSA-N 0 1 283.755 2.431 20 10 CECDMN COc1cccc(CN(C)Cc2ccccc2O)n1 ZINC000171829351 367624182 /nfs/dbraw/zinc/62/41/82/367624182.db2.gz QMSGROHMCUJADE-UHFFFAOYSA-N 0 1 258.321 2.428 20 10 CECDMN CC(C)C[C@@H]1C(=O)NCCN1Cc1cccc(Cl)c1O ZINC000188918350 369428384 /nfs/dbraw/zinc/42/83/84/369428384.db2.gz WZCVOAPYSPTTCA-CYBMUJFWSA-N 0 1 296.798 2.392 20 10 CECDMN CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000188918350 369428388 /nfs/dbraw/zinc/42/83/88/369428388.db2.gz WZCVOAPYSPTTCA-CYBMUJFWSA-N 0 1 296.798 2.392 20 10 CECDMN CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000188918350 369428393 /nfs/dbraw/zinc/42/83/93/369428393.db2.gz WZCVOAPYSPTTCA-CYBMUJFWSA-N 0 1 296.798 2.392 20 10 CECDMN CCOc1ccc(O)c(C[N@H+]2CC[C@H](OC)C2)c1 ZINC000271208518 373181918 /nfs/dbraw/zinc/18/19/18/373181918.db2.gz XGDOLRAGCGZXBK-ZDUSSCGKSA-N 0 1 251.326 2.012 20 10 CECDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Cl)[C@@H]1OC ZINC000273813025 373772813 /nfs/dbraw/zinc/77/28/13/373772813.db2.gz WXHMOZLARJAACE-BNOWGMLFSA-N 0 1 285.771 2.328 20 10 CECDMN CCN1CC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273424984 373757083 /nfs/dbraw/zinc/75/70/83/373757083.db2.gz TVQFBAYAOHWKTA-VXGBXAGGSA-N 0 1 293.367 2.293 20 10 CECDMN COC[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000273561422 373765149 /nfs/dbraw/zinc/76/51/49/373765149.db2.gz IHHXLFPNGYJTGG-KOLCDFICSA-N 0 1 273.760 2.094 20 10 CECDMN C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273570618 373765419 /nfs/dbraw/zinc/76/54/19/373765419.db2.gz KNGITJUFLHKYAE-MNOVXSKESA-N 0 1 281.356 2.291 20 10 CECDMN CCc1nc(CN(CC)c2ccc(OC)cc2)n[nH]1 ZINC000274667401 374004745 /nfs/dbraw/zinc/00/47/45/374004745.db2.gz RIZCNEXFZSKAME-UHFFFAOYSA-N 0 1 260.341 2.402 20 10 CECDMN CC(C)[C@@H](NCc1ccccc1O)c1nncn1C ZINC000285517402 375840314 /nfs/dbraw/zinc/84/03/14/375840314.db2.gz OAAGFPCYIWSBFV-CYBMUJFWSA-N 0 1 260.341 2.008 20 10 CECDMN C[C@H]([NH2+]CCCc1cnn(C)n1)c1cc(Cl)ccc1[O-] ZINC000293593573 377647555 /nfs/dbraw/zinc/64/75/55/377647555.db2.gz CWGPAYFELUQSLE-JTQLQIEISA-N 0 1 294.786 2.458 20 10 CECDMN COc1ccc(O)c(CNCc2cnccc2OC)c1 ZINC000294024755 377875004 /nfs/dbraw/zinc/87/50/04/377875004.db2.gz VCVAQVPFTBSFBS-UHFFFAOYSA-N 0 1 274.320 2.094 20 10 CECDMN COC(=O)[C@@H]1CCCN1Cc1cc(Cl)c(F)cc1O ZINC000294921337 378030010 /nfs/dbraw/zinc/03/00/10/378030010.db2.gz OCTGGZPWTUSYBB-NSHDSACASA-N 0 1 287.718 2.322 20 10 CECDMN C[C@H]1COCCN1Cc1cc(Cl)c(F)cc1O ZINC000295177973 378046699 /nfs/dbraw/zinc/04/66/99/378046699.db2.gz VHQJSNNZMNWJIC-QMMMGPOBSA-N 0 1 259.708 2.405 20 10 CECDMN CC(C)NC(=O)OC1CN(Cc2cccc(Cl)c2O)C1 ZINC000297529563 378686865 /nfs/dbraw/zinc/68/68/65/378686865.db2.gz ZDMXSNMRVPFISV-UHFFFAOYSA-N 0 1 298.770 2.364 20 10 CECDMN O=C(N[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1)C1CCC1 ZINC000360673759 394805207 /nfs/dbraw/zinc/80/52/07/394805207.db2.gz RRLNHMOPRXEVCF-ZDUSSCGKSA-N 0 1 292.354 2.022 20 10 CECDMN CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000124536532 394838806 /nfs/dbraw/zinc/83/88/06/394838806.db2.gz UFCNHUKJAYRUFL-LBPRGKRZSA-N 0 1 282.771 2.146 20 10 CECDMN CC[C@H]1CO[C@H](C)CN1Cc1cccc(OC)c1O ZINC000131504624 394912268 /nfs/dbraw/zinc/91/22/68/394912268.db2.gz CNMVDKRPJPKOBB-YPMHNXCESA-N 0 1 265.353 2.400 20 10 CECDMN Cc1cc(O)c(CN2CCO[C@H]([C@@H]3CCCO3)C2)cc1C ZINC000151120470 394975101 /nfs/dbraw/zinc/97/51/01/394975101.db2.gz VOVXDVVKZDKCGS-IRXDYDNUSA-N 0 1 291.391 2.389 20 10 CECDMN Cc1ccc(O)c(CN2CCO[C@H](COC(C)C)C2)c1 ZINC000372124877 395035067 /nfs/dbraw/zinc/03/50/67/395035067.db2.gz WGKOYMOBWOSHRL-HNNXBMFYSA-N 0 1 279.380 2.326 20 10 CECDMN C[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000154699169 261094179 /nfs/dbraw/zinc/09/41/79/261094179.db2.gz WGNIKLUYFOZAGH-CQSZACIVSA-N 0 1 289.423 2.195 20 10 CECDMN C[C@H]([NH2+]CC(=O)NCC1CC1)c1cc(Cl)ccc1[O-] ZINC000186505072 262095598 /nfs/dbraw/zinc/09/55/98/262095598.db2.gz XXUTUSRTLOCXRN-VIFPVBQESA-N 0 1 282.771 2.222 20 10 CECDMN CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000290213874 263115412 /nfs/dbraw/zinc/11/54/12/263115412.db2.gz QVCGJCBMOXOCTF-GFCCVEGCSA-N 0 1 296.342 2.242 20 10 CECDMN Oc1ccccc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000368620546 267191217 /nfs/dbraw/zinc/19/12/17/267191217.db2.gz ANFCAGIVILOPSY-HNNXBMFYSA-N 0 1 280.331 2.390 20 10 CECDMN CC[C@H]1CN(Cc2cc(F)ccc2O)C[C@]2(CCOC2)O1 ZINC000376635525 268004261 /nfs/dbraw/zinc/00/42/61/268004261.db2.gz WYFYEAXGEKGHOA-HOCLYGCPSA-N 0 1 295.354 2.301 20 10 CECDMN CC(=O)c1cc(F)cc(CN2CCC([C@H](C)O)CC2)c1O ZINC000079433945 518284450 /nfs/dbraw/zinc/28/44/50/518284450.db2.gz XVDODVLSCFOBAF-JTQLQIEISA-N 0 1 295.354 2.327 20 10 CECDMN COc1c([O-])c(C[N@@H+]2CCS[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278323485 521870646 /nfs/dbraw/zinc/87/06/46/521870646.db2.gz YJJVKXZYHHHKAB-SECBINFHSA-N 0 1 298.364 2.246 20 10 CECDMN COc1c([O-])c(C[N@H+]2CCS[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278323485 521870659 /nfs/dbraw/zinc/87/06/59/521870659.db2.gz YJJVKXZYHHHKAB-SECBINFHSA-N 0 1 298.364 2.246 20 10 CECDMN CN(C)C(=O)CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000264934588 523978743 /nfs/dbraw/zinc/97/87/43/523978743.db2.gz CILMPFWBFSIMGZ-UHFFFAOYSA-N 0 1 270.760 2.004 20 10 CECDMN COc1ccc(O)c(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000128741716 524745525 /nfs/dbraw/zinc/74/55/25/524745525.db2.gz JGUFZJYISLBBAB-PHIMTYICSA-N 0 1 251.326 2.010 20 10 CECDMN COc1ccc(O)c(CNCc2nccs2)c1 ZINC000041012396 524751681 /nfs/dbraw/zinc/75/16/81/524751681.db2.gz DVKHVYJDQSXPNO-UHFFFAOYSA-N 0 1 250.323 2.147 20 10 CECDMN COc1ccc(O)c([C@H](C)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000364988980 524768106 /nfs/dbraw/zinc/76/81/06/524768106.db2.gz YQOVIVQVSIUCFN-WCFLWFBJSA-N 0 1 263.337 2.325 20 10 CECDMN [O-]c1ccc(Br)cc1C[N@@H+](CCO)C1CC1 ZINC000128114449 527550111 /nfs/dbraw/zinc/55/01/11/527550111.db2.gz DSTZQAIVHRKAEG-UHFFFAOYSA-N 0 1 286.169 2.111 20 10 CECDMN [O-]c1ccc(Br)cc1C[N@H+](CCO)C1CC1 ZINC000128114449 527550115 /nfs/dbraw/zinc/55/01/15/527550115.db2.gz DSTZQAIVHRKAEG-UHFFFAOYSA-N 0 1 286.169 2.111 20 10 CECDMN CC(=O)c1cc(F)cc(CN2CCc3cn[nH]c3C2)c1O ZINC000750720688 574458553 /nfs/dbraw/zinc/45/85/53/574458553.db2.gz ROCALYSMZIJKCF-UHFFFAOYSA-N 0 1 289.310 2.015 20 10 CECDMN Cc1cc(O)c(C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1C ZINC000740089386 574941816 /nfs/dbraw/zinc/94/18/16/574941816.db2.gz SFXZXOCTAJWMBI-JSGCOSHPSA-N 0 1 292.379 2.487 20 10 CECDMN Cc1ccc(C)n1-c1ccc(C(=O)NCc2c[nH]nn2)cc1 ZINC000748006044 575177451 /nfs/dbraw/zinc/17/74/51/575177451.db2.gz BWUCOXRKJDSHCN-UHFFFAOYSA-N 0 1 295.346 2.142 20 10 CECDMN COc1cccc(O)c1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000820870837 598151448 /nfs/dbraw/zinc/15/14/48/598151448.db2.gz BQQQVIKUJYRXAJ-NSHDSACASA-N 0 1 279.336 2.088 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@@H+](CC(=O)[O-])C2CC2)c1O ZINC000825946498 601461922 /nfs/dbraw/zinc/46/19/22/601461922.db2.gz BFMSHCYMYDNUTK-UHFFFAOYSA-N 0 1 297.738 2.297 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H]1C(=O)[O-] ZINC000828457427 601814338 /nfs/dbraw/zinc/81/43/38/601814338.db2.gz UODJTDWLUAUPRG-ZWNOBZJWSA-N 0 1 286.331 2.093 20 10 CECDMN CCOc1ccc(O)c(C[N@@H+](CC(=O)[O-])C(C)C)c1 ZINC000820387506 604558860 /nfs/dbraw/zinc/55/88/60/604558860.db2.gz RTZXPASMCXFUCK-UHFFFAOYSA-N 0 1 267.325 2.086 20 10 CECDMN O=C([O-])NCC1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000834225136 605564168 /nfs/dbraw/zinc/56/41/68/605564168.db2.gz HHSHEGWRNXLXKU-UHFFFAOYSA-N 0 1 282.315 2.011 20 10 CECDMN O=C([O-])N1CC[C@@H]([N@@H+](Cc2cc(F)ccc2O)C2CC2)C1 ZINC000834083394 605587901 /nfs/dbraw/zinc/58/79/01/605587901.db2.gz OTRWXRZDWTYEAR-CYBMUJFWSA-N 0 1 294.326 2.248 20 10 CECDMN O=C([O-])NC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000834222027 605617506 /nfs/dbraw/zinc/61/75/06/605617506.db2.gz WREKEKJQWDMUBO-NSHDSACASA-N 0 1 284.743 2.278 20 10 CECDMN C[N@H+](CC(=O)NCc1cccc(Cl)c1[O-])C1CCC1 ZINC000890761765 622933555 /nfs/dbraw/zinc/93/35/55/622933555.db2.gz WZQNKQRLSRZXBN-UHFFFAOYSA-N 0 1 282.771 2.146 20 10 CECDMN C[N@@H+](CC(=O)NCc1cccc(Cl)c1[O-])C1CCC1 ZINC000890761765 622933557 /nfs/dbraw/zinc/93/35/57/622933557.db2.gz WZQNKQRLSRZXBN-UHFFFAOYSA-N 0 1 282.771 2.146 20 10 CECDMN COC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000091985888 625615756 /nfs/dbraw/zinc/61/57/56/625615756.db2.gz FEJAGXHXBUPGKP-SECBINFHSA-N 0 1 271.744 2.287 20 10 CECDMN COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000091985888 625615758 /nfs/dbraw/zinc/61/57/58/625615758.db2.gz FEJAGXHXBUPGKP-SECBINFHSA-N 0 1 271.744 2.287 20 10 CECDMN NC(=O)c1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000083551669 623224969 /nfs/dbraw/zinc/22/49/69/623224969.db2.gz YPWIBLIAIMYXMP-UHFFFAOYSA-N 0 1 290.750 2.434 20 10 CECDMN CC[C@@H]1CN(Cc2ccc(OC)c(OC)c2O)C[C@@H](C)O1 ZINC000891806055 623983935 /nfs/dbraw/zinc/98/39/35/623983935.db2.gz VSTXHFZACINORZ-DGCLKSJQSA-N 0 1 295.379 2.409 20 10 CECDMN CN(CC(=O)N(C)c1ccc(N)cc1)CC(C)(C)C ZINC000045065118 624484618 /nfs/dbraw/zinc/48/46/18/624484618.db2.gz YYVUILGRHSLBKS-UHFFFAOYSA-N 0 1 263.385 2.210 20 10 CECDMN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC(C)(C)O1 ZINC000049176431 624523163 /nfs/dbraw/zinc/52/31/63/624523163.db2.gz UJDXETKZCBUBTF-SNVBAGLBSA-N 0 1 279.336 2.120 20 10 CECDMN CCC[C@H]1CN(Cc2cc(OC)ccc2O)CCO1 ZINC000180318795 628077876 /nfs/dbraw/zinc/07/78/76/628077876.db2.gz DOYDBFMORKZNPE-AWEZNQCLSA-N 0 1 265.353 2.402 20 10 CECDMN CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1O ZINC000775744006 628334878 /nfs/dbraw/zinc/33/48/78/628334878.db2.gz IUZGPEAUTYMTSY-QPUJVOFHSA-N 0 1 273.735 2.387 20 10 CECDMN COc1ccc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c(O)c1OC ZINC000893889128 629038394 /nfs/dbraw/zinc/03/83/94/629038394.db2.gz VBCPVHMIEOHHJK-SDDRHHMPSA-N 0 1 295.379 2.407 20 10 CECDMN COc1cc(C)cc(CN2CCOCC23CCC3)c1O ZINC000894036562 629092349 /nfs/dbraw/zinc/09/23/49/629092349.db2.gz ZMDIRCVTQLGHES-UHFFFAOYSA-N 0 1 277.364 2.464 20 10 CECDMN CC[N@@H+](C)C[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894086801 629112915 /nfs/dbraw/zinc/11/29/15/629112915.db2.gz NEDSZQPFUDINPZ-LLVKDONJSA-N 0 1 284.350 2.444 20 10 CECDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894881539 629715915 /nfs/dbraw/zinc/71/59/15/629715915.db2.gz RAPAECIJJAAWOY-NOZJJQNGSA-N 0 1 271.307 2.263 20 10 CECDMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000895033817 629806821 /nfs/dbraw/zinc/80/68/21/629806821.db2.gz KLMSAFJZYVNVNK-LDYMZIIASA-N 0 1 257.280 2.016 20 10 CECDMN COc1cccc(CN[C@H](c2nccn2C)C2CC2)c1O ZINC000796465617 629913042 /nfs/dbraw/zinc/91/30/42/629913042.db2.gz LXTLLXZXLCOOAH-AWEZNQCLSA-N 0 1 287.363 2.375 20 10 CECDMN O=C1CCC2=C(CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)N1 ZINC000895226087 630044775 /nfs/dbraw/zinc/04/47/75/630044775.db2.gz SXODUTQSNQDZIS-UHFFFAOYSA-N 0 1 294.301 2.040 20 10 CECDMN Cc1cc(Br)cc(CN2C[C@H]3C[C@@]3(O)C2)c1O ZINC000895654536 630290290 /nfs/dbraw/zinc/29/02/90/630290290.db2.gz SIULTKMKBOGMPL-ZWNOBZJWSA-N 0 1 298.180 2.030 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895781436 630349754 /nfs/dbraw/zinc/34/97/54/630349754.db2.gz SOEMYOMNEPVXJK-SUZMYJTESA-N 0 1 267.756 2.248 20 10 CECDMN CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC000896448387 630563185 /nfs/dbraw/zinc/56/31/85/630563185.db2.gz INGMBYBQRJHGAG-VNHYZAJKSA-N 0 1 275.348 2.023 20 10 CECDMN CC[C@@H]([NH2+][C@@H](CO)CCOC)c1cc(Cl)ccc1[O-] ZINC000798941195 630955435 /nfs/dbraw/zinc/95/54/35/630955435.db2.gz WNIJPNBLCDFFNU-DGCLKSJQSA-N 0 1 287.787 2.484 20 10 CECDMN Cc1cccc(O)c1CN1CCO[C@@H](c2ccnn2C)C1 ZINC000897563544 631784572 /nfs/dbraw/zinc/78/45/72/631784572.db2.gz WSDNLHJATNDEPY-MRXNPFEDSA-N 0 1 287.363 2.008 20 10 CECDMN CC[N@@H+](CCC(=O)NC)Cc1cccc(Cl)c1[O-] ZINC000897709615 631880662 /nfs/dbraw/zinc/88/06/62/631880662.db2.gz GYIPYECMINWBSF-UHFFFAOYSA-N 0 1 270.760 2.004 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1Cl ZINC000825732070 635703383 /nfs/dbraw/zinc/70/33/83/635703383.db2.gz OCQAPBRWFBNEIN-OAHLLOKOSA-N 0 1 294.782 2.066 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1Cl ZINC000825732070 635703388 /nfs/dbraw/zinc/70/33/88/635703388.db2.gz OCQAPBRWFBNEIN-OAHLLOKOSA-N 0 1 294.782 2.066 20 10 CECDMN Oc1ccc(Cl)c(F)c1CN1CC[C@H](O)[C@@H](F)C1 ZINC000898186313 632099882 /nfs/dbraw/zinc/09/98/82/632099882.db2.gz CURRDNGOIVHEMM-ONGXEEELSA-N 0 1 277.698 2.089 20 10 CECDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H](O)C1CC1 ZINC000809752982 632140975 /nfs/dbraw/zinc/14/09/75/632140975.db2.gz YPCNARFXRBFGFG-LBPRGKRZSA-N 0 1 273.735 2.387 20 10 CECDMN Cc1ccc(O)c(CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000899133805 632710438 /nfs/dbraw/zinc/71/04/38/632710438.db2.gz QHPYCDUHMBXEGZ-ZDUSSCGKSA-N 0 1 276.380 2.190 20 10 CECDMN Cc1ccc(O)c(CNC(=O)[C@@H]2CCN2C(C)(C)C)c1 ZINC000899133805 632710441 /nfs/dbraw/zinc/71/04/41/632710441.db2.gz QHPYCDUHMBXEGZ-ZDUSSCGKSA-N 0 1 276.380 2.190 20 10 CECDMN CC(C)(O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683269 632724269 /nfs/dbraw/zinc/72/42/69/632724269.db2.gz ZRDCSQCGFUYKSO-UHFFFAOYSA-N 0 1 278.135 2.086 20 10 CECDMN COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]21 ZINC000814173032 632799578 /nfs/dbraw/zinc/79/95/78/632799578.db2.gz GWBCBIBZJFOLER-IAZYJMLFSA-N 0 1 299.729 2.036 20 10 CECDMN CN(C)C(=O)CN(C)Cc1ccc2ccccc2c1O ZINC000816481917 633397214 /nfs/dbraw/zinc/39/72/14/633397214.db2.gz NGDZORJCWZRLFK-UHFFFAOYSA-N 0 1 272.348 2.065 20 10 CECDMN C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589428 633418044 /nfs/dbraw/zinc/41/80/44/633418044.db2.gz XZTQOGJHLMCUMH-IONNQARKSA-N 0 1 259.708 2.140 20 10 CECDMN COC(=O)[C@H](NCc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816590185 633418744 /nfs/dbraw/zinc/41/87/44/633418744.db2.gz SSXXFUZHAKOXLU-GFCCVEGCSA-N 0 1 287.718 2.226 20 10 CECDMN CCc1nocc1CNCc1cccc(OC)c1O ZINC000816610721 633450542 /nfs/dbraw/zinc/45/05/42/633450542.db2.gz VXBUXXCOXDTEOB-UHFFFAOYSA-N 0 1 262.309 2.241 20 10 CECDMN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H](CO)O1 ZINC000817413588 633652412 /nfs/dbraw/zinc/65/24/12/633652412.db2.gz ZVDXPDBQEDVMSM-NSHDSACASA-N 0 1 285.771 2.017 20 10 CECDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H](CO)O1 ZINC000817413588 633652416 /nfs/dbraw/zinc/65/24/16/633652416.db2.gz ZVDXPDBQEDVMSM-NSHDSACASA-N 0 1 285.771 2.017 20 10 CECDMN CCn1nc(C)c(CNCc2cc(C)c(C)cc2O)n1 ZINC000818221004 633887624 /nfs/dbraw/zinc/88/76/24/633887624.db2.gz MDOYPYWLNFOVNE-UHFFFAOYSA-N 0 1 274.368 2.219 20 10 CECDMN COc1nn(C)cc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000903337149 635067695 /nfs/dbraw/zinc/06/76/95/635067695.db2.gz STWYSRQALCOTBF-LBPRGKRZSA-N 0 1 288.395 2.346 20 10 CECDMN COc1nccc(CN[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000824195524 635374458 /nfs/dbraw/zinc/37/44/58/635374458.db2.gz HOBDRZJLTSRNLI-GFCCVEGCSA-N 0 1 286.379 2.402 20 10 CECDMN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CNCCC1(F)F ZINC000903954538 635388053 /nfs/dbraw/zinc/38/80/53/635388053.db2.gz DSNJBSYYMUGBFV-SNVBAGLBSA-N 0 1 290.741 2.380 20 10 CECDMN COC[C@](C)(O)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000824559597 635450289 /nfs/dbraw/zinc/45/02/89/635450289.db2.gz WDTPCFQUNDJKJH-QGZVFWFLSA-N 0 1 289.375 2.423 20 10 CECDMN C[N@H+]1CC[C@@H]2CN(Cc3cccc(Cl)c3[O-])C[C@@H]21 ZINC000824893502 635518748 /nfs/dbraw/zinc/51/87/48/635518748.db2.gz TYLIPJRMXAFAHI-MFKMUULPSA-N 0 1 266.772 2.182 20 10 CECDMN C[C@@H]1[C@H](O)CC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000825104425 635569890 /nfs/dbraw/zinc/56/98/90/635569890.db2.gz WSQJKDSDCGYTTG-GMSGAONNSA-N 0 1 259.708 2.140 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCN2CCCOCC2)cc1Cl ZINC000825927499 635733853 /nfs/dbraw/zinc/73/38/53/635733853.db2.gz DGXFCFVEJSCDLM-UHFFFAOYSA-N 0 1 298.814 2.166 20 10 CECDMN Cc1cc(O)c(CN(C)C[C@H]2COCCO2)c(Cl)c1 ZINC000827139468 636231452 /nfs/dbraw/zinc/23/14/52/636231452.db2.gz BBQMLTPCYMZNSY-NSHDSACASA-N 0 1 285.771 2.201 20 10 CECDMN Cc1cc([O-])c(C[N@H+](C)C[C@H]2COCCO2)c(Cl)c1 ZINC000827139468 636231458 /nfs/dbraw/zinc/23/14/58/636231458.db2.gz BBQMLTPCYMZNSY-NSHDSACASA-N 0 1 285.771 2.201 20 10 CECDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2COCCO2)c(Cl)c1 ZINC000827139468 636231461 /nfs/dbraw/zinc/23/14/61/636231461.db2.gz BBQMLTPCYMZNSY-NSHDSACASA-N 0 1 285.771 2.201 20 10 CECDMN CN(C)c1ccc(CN(CC[S@](C)=O)C2CC2)cc1 ZINC000827443152 636321889 /nfs/dbraw/zinc/32/18/89/636321889.db2.gz XYZUTYTWIAKTGL-IBGZPJMESA-N 0 1 280.437 2.096 20 10 CECDMN C[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccccc1O ZINC000827972852 636475805 /nfs/dbraw/zinc/47/58/05/636475805.db2.gz AXPLYFLLNLBJSO-JQWIXIFHSA-N 0 1 285.347 2.413 20 10 CECDMN COCCOCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840884021 639572237 /nfs/dbraw/zinc/57/22/37/639572237.db2.gz IYXWFQCJSJDSLH-UHFFFAOYSA-N 0 1 273.760 2.107 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c(Cl)c1 ZINC000840916575 639583767 /nfs/dbraw/zinc/58/37/67/639583767.db2.gz KPYLJJHPPVWDCL-LLVKDONJSA-N 0 1 296.798 2.441 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CC(N)=O)C2)c(Cl)c1 ZINC000840916575 639583774 /nfs/dbraw/zinc/58/37/74/639583774.db2.gz KPYLJJHPPVWDCL-LLVKDONJSA-N 0 1 296.798 2.441 20 10 CECDMN Cc1cc(N(C)C)ccc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000840914628 639584784 /nfs/dbraw/zinc/58/47/84/639584784.db2.gz FRRKNYDBVZVPFX-IYBDPMFKSA-N 0 1 260.381 2.424 20 10 CECDMN COc1cccc(O)c1CN1CCO[C@H](C2CCC2)C1 ZINC000840953827 639599294 /nfs/dbraw/zinc/59/92/94/639599294.db2.gz BAYLISAWGXSTDZ-INIZCTEOSA-N 0 1 277.364 2.402 20 10 CECDMN CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1F ZINC000840997826 639611527 /nfs/dbraw/zinc/61/15/27/639611527.db2.gz QGTZLIYWAPQCDM-CQSZACIVSA-N 0 1 280.343 2.331 20 10 CECDMN COc1ccc(CN[C@H](C)C(=O)NC(C)C)cc1C ZINC000228941857 639665413 /nfs/dbraw/zinc/66/54/13/639665413.db2.gz VKDHVIDGTWFWJR-GFCCVEGCSA-N 0 1 264.369 2.006 20 10 CECDMN COC1CC([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000230690741 639783293 /nfs/dbraw/zinc/78/32/93/639783293.db2.gz RRJRISPTJRNGBO-UHFFFAOYSA-N 0 1 286.169 2.422 20 10 CECDMN C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744681 639854824 /nfs/dbraw/zinc/85/48/24/639854824.db2.gz JYIJYAFKKYIYNF-NEPJUHHUSA-N 0 1 298.814 2.417 20 10 CECDMN CCCNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744178 639855777 /nfs/dbraw/zinc/85/57/77/639855777.db2.gz MQBPCWMEHAXHAQ-VIFPVBQESA-N 0 1 270.760 2.222 20 10 CECDMN COCCOCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745227 639855791 /nfs/dbraw/zinc/85/57/91/639855791.db2.gz OEZMSHTUHOPLRS-SNVBAGLBSA-N 0 1 273.760 2.359 20 10 CECDMN C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(Cl)cc1[O-] ZINC000841752547 639858030 /nfs/dbraw/zinc/85/80/30/639858030.db2.gz UFNJJZXDNOUCPB-RKDXNWHRSA-N 0 1 291.800 2.129 20 10 CECDMN C[C@H]([NH2+]CC1(C)OCCO1)c1ccc(Cl)cc1[O-] ZINC000841751417 639858764 /nfs/dbraw/zinc/85/87/64/639858764.db2.gz MRYLUJONJBOXGO-VIFPVBQESA-N 0 1 271.744 2.459 20 10 CECDMN COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841756235 639859646 /nfs/dbraw/zinc/85/96/46/639859646.db2.gz WGLNTGOCVXSTQT-MWLCHTKSSA-N 0 1 273.760 2.094 20 10 CECDMN C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cc(F)ccc1[O-] ZINC000842921385 640221141 /nfs/dbraw/zinc/22/11/41/640221141.db2.gz YFXCRDQDKKZVBN-ZBEGNZNMSA-N 0 1 297.370 2.360 20 10 CECDMN Cc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1O ZINC000843041590 640248624 /nfs/dbraw/zinc/24/86/24/640248624.db2.gz UDMSPWXDZQVOAX-GXFFZTMASA-N 0 1 263.337 2.243 20 10 CECDMN [NH3+]CCN(Cc1ccccc1)Cc1cccc(F)c1[O-] ZINC000843060239 640262954 /nfs/dbraw/zinc/26/29/54/640262954.db2.gz YWKGOHUHCZANGA-UHFFFAOYSA-N 0 1 274.339 2.492 20 10 CECDMN CCOc1ccc(O)c(C[N@H+](CC(=O)[O-])CC2CC2)c1 ZINC000844937723 640871488 /nfs/dbraw/zinc/87/14/88/640871488.db2.gz XNUBFSCHQUZFMX-UHFFFAOYSA-N 0 1 279.336 2.088 20 10 CECDMN CCN(CC)c1ccc(CN2CCN(C)CC2)cc1F ZINC000154407065 640887174 /nfs/dbraw/zinc/88/71/74/640887174.db2.gz ZIRLAKZUYWOWAG-UHFFFAOYSA-N 0 1 279.403 2.419 20 10 CECDMN COc1cccc([C@H](C)N[C@H]2CCn3ccnc32)c1O ZINC000846168497 641210511 /nfs/dbraw/zinc/21/05/11/641210511.db2.gz AEWDQBWZPYVFHV-JQWIXIFHSA-N 0 1 273.336 2.393 20 10 CECDMN C[C@H]([NH2+]CCN1CCCC1=O)c1cc(Cl)ccc1[O-] ZINC000846206229 641220809 /nfs/dbraw/zinc/22/08/09/641220809.db2.gz ODNVQCXCJSPCEQ-JTQLQIEISA-N 0 1 282.771 2.319 20 10 CECDMN Cc1cc(CN)oc1C(=O)N[C@@H](C)c1ccccc1O ZINC000877256645 650644413 /nfs/dbraw/zinc/64/44/13/650644413.db2.gz BOERMMBOINGMQN-JTQLQIEISA-N 0 1 274.320 2.243 20 10 CECDMN COc1ccc(O)c([C@H](C)NCc2cn3cccnc3n2)c1 ZINC000182429444 641658389 /nfs/dbraw/zinc/65/83/89/641658389.db2.gz QUYWBZTZGAMKJH-NSHDSACASA-N 0 1 298.346 2.294 20 10 CECDMN COCC1=CC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877415516 650713126 /nfs/dbraw/zinc/71/31/26/650713126.db2.gz DYCJERGNLKIMBD-UHFFFAOYSA-N 0 1 269.291 2.449 20 10 CECDMN CO[C@](C)(CO)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000848556424 642052028 /nfs/dbraw/zinc/05/20/28/642052028.db2.gz XNHGEMIJDDMGJW-ZANVPECISA-N 0 1 273.760 2.094 20 10 CECDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2CCO)ccc(F)c1F ZINC000877434642 650719359 /nfs/dbraw/zinc/71/93/59/650719359.db2.gz IKOLJLJKPKOAAG-SNVBAGLBSA-N 0 1 257.280 2.017 20 10 CECDMN CCc1cccc(CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1O ZINC000848886419 642172249 /nfs/dbraw/zinc/17/22/49/642172249.db2.gz FGROLYTUMQTHSD-RYUDHWBXSA-N 0 1 299.436 2.208 20 10 CECDMN CCc1cccc(CN2CC[S@@](=O)C[C@@H](C)C2)c1O ZINC000848907306 642184013 /nfs/dbraw/zinc/18/40/13/642184013.db2.gz LDFJJORYLUQPLV-HXPMCKFVSA-N 0 1 281.421 2.155 20 10 CECDMN C[C@@H](O)C[N@H+](Cc1c([O-])cccc1Cl)C1CC1 ZINC000848928607 642199349 /nfs/dbraw/zinc/19/93/49/642199349.db2.gz IQNMGCRICRLGHH-SECBINFHSA-N 0 1 255.745 2.391 20 10 CECDMN C[C@@H](O)C[N@@H+](Cc1c([O-])cccc1Cl)C1CC1 ZINC000848928607 642199354 /nfs/dbraw/zinc/19/93/54/642199354.db2.gz IQNMGCRICRLGHH-SECBINFHSA-N 0 1 255.745 2.391 20 10 CECDMN C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877531920 650771747 /nfs/dbraw/zinc/77/17/47/650771747.db2.gz RSRUKNMUWJAFHG-GXFFZTMASA-N 0 1 284.350 2.442 20 10 CECDMN CO[C@@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)[C@@H]1CCOC1 ZINC000850342853 642673349 /nfs/dbraw/zinc/67/33/49/642673349.db2.gz NYILMFJZHBVWRL-ABAIWWIYSA-N 0 1 299.798 2.495 20 10 CECDMN COc1ccc(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1C ZINC000850367776 642684427 /nfs/dbraw/zinc/68/44/27/642684427.db2.gz DHBRCFAUTKZXDR-GXTWGEPZSA-N 0 1 297.420 2.059 20 10 CECDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877560780 650789546 /nfs/dbraw/zinc/78/95/46/650789546.db2.gz AOPDIZMUGXTNQN-CMPLNLGQSA-N 0 1 271.307 2.263 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCO[C@H]2CCOC2)c(Cl)c1 ZINC000922936791 643463851 /nfs/dbraw/zinc/46/38/51/643463851.db2.gz MYYCHNNZIFTGEO-NSHDSACASA-N 0 1 285.771 2.249 20 10 CECDMN COc1ccc(CNCc2cncc(O)c2)cc1C ZINC000922977012 643492574 /nfs/dbraw/zinc/49/25/74/643492574.db2.gz MEDFSXCNUODWRP-UHFFFAOYSA-N 0 1 258.321 2.394 20 10 CECDMN C[C@]1(C2CC2)CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000853527633 643802596 /nfs/dbraw/zinc/80/25/96/643802596.db2.gz CBJSCLUFSSDXID-MRXNPFEDSA-N 0 1 291.347 2.122 20 10 CECDMN C[N@H+]1CC[C@H]2CN(Cc3ccc(F)c(F)c3[O-])CC[C@@H]21 ZINC000877737090 650878762 /nfs/dbraw/zinc/87/87/62/650878762.db2.gz CRHWMUURCVESLT-GWCFXTLKSA-N 0 1 282.334 2.196 20 10 CECDMN Cc1noc(C2CN(Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000839130229 644167915 /nfs/dbraw/zinc/16/79/15/644167915.db2.gz AIDRNLFSIBMEQJ-UHFFFAOYSA-N 0 1 297.717 2.476 20 10 CECDMN CCOc1ccc(O)c(CN2CC(c3nc(C)no3)C2)c1 ZINC000839131698 644169238 /nfs/dbraw/zinc/16/92/38/644169238.db2.gz YRIPIFWKNNGBQY-UHFFFAOYSA-N 0 1 289.335 2.082 20 10 CECDMN CCOc1cccc(CN[C@@H](C)c2ccn(C)n2)c1O ZINC000839189678 644185553 /nfs/dbraw/zinc/18/55/53/644185553.db2.gz BPFGVPZPWZFOTE-NSHDSACASA-N 0 1 275.352 2.375 20 10 CECDMN COC(=O)c1cc(CN[C@H](C)c2ccccc2O)on1 ZINC000877755872 650898814 /nfs/dbraw/zinc/89/88/14/650898814.db2.gz PSVCULVSBOXVCE-SECBINFHSA-N 0 1 276.292 2.018 20 10 CECDMN Cc1nc([C@@H](C)N2CCOc3cc(N(C)C)ccc32)n[nH]1 ZINC000839530483 644267805 /nfs/dbraw/zinc/26/78/05/644267805.db2.gz CRYFCUGHUKBIBH-SNVBAGLBSA-N 0 1 287.367 2.139 20 10 CECDMN CCOC(=O)[C@H](C)C1CN(Cc2cc(OC)ccc2O)C1 ZINC000877830929 650925898 /nfs/dbraw/zinc/92/58/98/650925898.db2.gz RDKMBGLKKMUYFV-LLVKDONJSA-N 0 1 293.363 2.032 20 10 CECDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])C(=O)N(C)C ZINC000756735460 644688024 /nfs/dbraw/zinc/68/80/24/644688024.db2.gz DGOVIDMLXGAOSZ-DTWKUNHWSA-N 0 1 270.760 2.173 20 10 CECDMN CC[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Cl)ccc1[O-] ZINC000858494148 645180732 /nfs/dbraw/zinc/18/07/32/645180732.db2.gz DNXOKBLKLVXGQE-PEXQALLHSA-N 0 1 282.771 2.350 20 10 CECDMN CC[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000858602388 645218318 /nfs/dbraw/zinc/21/83/18/645218318.db2.gz XZDGYTDVTUEYTG-GXTWGEPZSA-N 0 1 298.814 2.153 20 10 CECDMN CCC[C@@H]1C(=O)NCCN1Cc1c(O)ccc2ccncc21 ZINC000765716357 645801465 /nfs/dbraw/zinc/80/14/65/645801465.db2.gz GMLNRBPVUYPTCX-OAHLLOKOSA-N 0 1 299.374 2.041 20 10 CECDMN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000765796555 645810868 /nfs/dbraw/zinc/81/08/68/645810868.db2.gz OJPDYWQJHXJIJM-CABZTGNLSA-N 0 1 282.771 2.050 20 10 CECDMN COc1cccc(O)c1CN1CCCC[C@@H]1C1OCCO1 ZINC000769299535 646239215 /nfs/dbraw/zinc/23/92/15/646239215.db2.gz XQXNROGJMZNXFO-CYBMUJFWSA-N 0 1 293.363 2.128 20 10 CECDMN C/C=C\C[C@@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000769936077 646336453 /nfs/dbraw/zinc/33/64/53/646336453.db2.gz CYZGVMQQRURFFM-ZMWSMAPVSA-N 0 1 255.745 2.462 20 10 CECDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H]1CO ZINC000862215221 646364976 /nfs/dbraw/zinc/36/49/76/646364976.db2.gz FKPAOQVUNKBRIP-SECBINFHSA-N 0 1 286.169 2.111 20 10 CECDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H]1CO ZINC000862215221 646364969 /nfs/dbraw/zinc/36/49/69/646364969.db2.gz FKPAOQVUNKBRIP-SECBINFHSA-N 0 1 286.169 2.111 20 10 CECDMN CN(C)c1cc(F)c(CN2CCc3cn[nH]c3C2)cc1F ZINC000862247714 646378437 /nfs/dbraw/zinc/37/84/37/646378437.db2.gz LIQISMWNMUPLGQ-UHFFFAOYSA-N 0 1 292.333 2.312 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@H+]1CCSC[C@@H]1CCO ZINC000770304217 646378752 /nfs/dbraw/zinc/37/87/52/646378752.db2.gz KYJSWWKEFGDLOW-JTQLQIEISA-N 0 1 287.812 2.345 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCSC[C@@H]1CCO ZINC000770304217 646378761 /nfs/dbraw/zinc/37/87/61/646378761.db2.gz KYJSWWKEFGDLOW-JTQLQIEISA-N 0 1 287.812 2.345 20 10 CECDMN C[N@H+](CCCCO)Cc1c([O-])cccc1Br ZINC000862339463 646404596 /nfs/dbraw/zinc/40/45/96/646404596.db2.gz VCODBWJKRZWSCV-UHFFFAOYSA-N 0 1 288.185 2.359 20 10 CECDMN C[N@@H+](CCCCO)Cc1c([O-])cccc1Br ZINC000862339463 646404602 /nfs/dbraw/zinc/40/46/02/646404602.db2.gz VCODBWJKRZWSCV-UHFFFAOYSA-N 0 1 288.185 2.359 20 10 CECDMN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@@H](C)C1O ZINC000862414110 646449662 /nfs/dbraw/zinc/44/96/62/646449662.db2.gz MNQNGQCAOWZMIP-GHMZBOCLSA-N 0 1 298.377 2.480 20 10 CECDMN C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC000864049645 646870176 /nfs/dbraw/zinc/87/01/76/646870176.db2.gz KEAVMYSEYJBEOP-IINYFYTJSA-N 0 1 269.291 2.139 20 10 CECDMN CC[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cc(Cl)ccc1[O-] ZINC000775522916 646962726 /nfs/dbraw/zinc/96/27/26/646962726.db2.gz BQDGEZGNEGPESF-TZMCWYRMSA-N 0 1 285.771 2.238 20 10 CECDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000775638523 646975050 /nfs/dbraw/zinc/97/50/50/646975050.db2.gz JNVRLOSADIINSY-JTQLQIEISA-N 0 1 259.708 2.141 20 10 CECDMN Oc1ccc(F)cc1CNCc1cccc(F)n1 ZINC000779102327 647288216 /nfs/dbraw/zinc/28/82/16/647288216.db2.gz JYYBMJSEJRLDGX-UHFFFAOYSA-N 0 1 250.248 2.355 20 10 CECDMN O=C1OCC[C@]12CCCN2Cc1cc(Cl)cc(F)c1O ZINC000779198905 647296109 /nfs/dbraw/zinc/29/61/09/647296109.db2.gz PHXKZNJEUZEVCW-CQSZACIVSA-N 0 1 299.729 2.466 20 10 CECDMN CCOc1ccc(O)c(CNCc2conc2C)c1 ZINC000865678461 647420726 /nfs/dbraw/zinc/42/07/26/647420726.db2.gz KBFVYWLOCSYUIU-UHFFFAOYSA-N 0 1 262.309 2.377 20 10 CECDMN C[C@H](O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000780786878 647470038 /nfs/dbraw/zinc/47/00/38/647470038.db2.gz OOMABHGYTBRZJW-VHSXEESVSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@H](O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000780786878 647470041 /nfs/dbraw/zinc/47/00/41/647470041.db2.gz OOMABHGYTBRZJW-VHSXEESVSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@H](NCc1cc(Cl)cc(F)c1O)c1ncn(C)n1 ZINC000783705839 647749713 /nfs/dbraw/zinc/74/97/13/647749713.db2.gz KBWHQQXOWJMJNV-ZETCQYMHSA-N 0 1 284.722 2.164 20 10 CECDMN C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(Cl)ccc1[O-] ZINC000866416659 647779656 /nfs/dbraw/zinc/77/96/56/647779656.db2.gz YZDHHFIEHNETBY-ATZCPNFKSA-N 0 1 255.745 2.467 20 10 CECDMN Cc1ccnc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789957256 648362731 /nfs/dbraw/zinc/36/27/31/648362731.db2.gz MATQFUKUDHVBTJ-UHFFFAOYSA-N 0 1 262.240 2.193 20 10 CECDMN CCCn1cc(NC(=O)c2c(F)ccc(O)c2O)cn1 ZINC000789986120 648366653 /nfs/dbraw/zinc/36/66/53/648366653.db2.gz GDMPGAMOGMMBJE-UHFFFAOYSA-N 0 1 279.271 2.096 20 10 CECDMN C[C@]1(O)CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792171183 648619170 /nfs/dbraw/zinc/61/91/70/648619170.db2.gz ZCCCZDYLRPORFD-LBPRGKRZSA-N 0 1 259.708 2.141 20 10 CECDMN CN1CCN(C(=O)C2=CC(=O)CS2)CCC1(C)C ZINC000871158143 649017472 /nfs/dbraw/zinc/01/74/72/649017472.db2.gz PFPVPOCEDLSSPQ-UHFFFAOYSA-N 0 1 268.382 2.010 20 10 CECDMN Cc1nccnc1[C@@H](C)NCc1cc2c(cc1O)OCO2 ZINC000873188059 649582414 /nfs/dbraw/zinc/58/24/14/649582414.db2.gz GKIDKYTYPODYMK-SNVBAGLBSA-N 0 1 287.319 2.070 20 10 CECDMN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)N(C)C)cc1 ZINC000873862271 649727129 /nfs/dbraw/zinc/72/71/29/649727129.db2.gz OTXLAPFZLIRVDI-CQSZACIVSA-N 0 1 291.439 2.441 20 10 CECDMN C[C@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1ccccc1O ZINC000879650571 651335656 /nfs/dbraw/zinc/33/56/56/651335656.db2.gz IBRNCGLWLUCDGJ-VIFPVBQESA-N 0 1 290.285 2.111 20 10 CECDMN Cc1ccc(O)c(CNC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)c1 ZINC000880837963 651529254 /nfs/dbraw/zinc/52/92/54/651529254.db2.gz WKLDKXSMCJUSRU-ZBEGNZNMSA-N 0 1 299.374 2.406 20 10 CECDMN O=C([O-])[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000128807854 651596505 /nfs/dbraw/zinc/59/65/05/651596505.db2.gz HCLLLZHJWHKDCO-VIFPVBQESA-N 0 1 269.728 2.342 20 10 CECDMN COc1cccc(CN2CCOC(C)(C)C2)c1O ZINC000132308913 652512036 /nfs/dbraw/zinc/51/20/36/652512036.db2.gz KJFUVEQORWCBDP-UHFFFAOYSA-N 0 1 251.326 2.012 20 10 CECDMN CC[C@@H]1CN(Cc2cc(OC)ccc2O)[C@H](C)CO1 ZINC000403831373 803127106 /nfs/dbraw/zinc/12/71/06/803127106.db2.gz QAYXRFAVTWUHGE-DGCLKSJQSA-N 0 1 265.353 2.400 20 10 CECDMN CN1CC[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)C1=O ZINC001272636962 807837797 /nfs/dbraw/zinc/83/77/97/807837797.db2.gz HYICZPFSIVMEBK-HNNXBMFYSA-N 0 1 294.782 2.100 20 10 CECDMN CN1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)C1=O ZINC001272636962 807837807 /nfs/dbraw/zinc/83/78/07/807837807.db2.gz HYICZPFSIVMEBK-HNNXBMFYSA-N 0 1 294.782 2.100 20 10 CECDMN [NH3+][C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CC(F)(F)C1 ZINC001206145870 815234364 /nfs/dbraw/zinc/23/43/64/815234364.db2.gz KTCGWWFAVNWMDY-MRVPVSSYSA-N 0 1 294.704 2.353 20 10 CECDMN CO[C@H](C)C[NH2+]Cc1c([O-])cccc1Br ZINC000706846428 809857686 /nfs/dbraw/zinc/85/76/86/809857686.db2.gz ICIPTIRILCNQQB-MRVPVSSYSA-N 0 1 274.158 2.279 20 10 CECDMN CCN1CCN(Cc2c(O)cccc2Br)CC1 ZINC000707154080 809886017 /nfs/dbraw/zinc/88/60/17/809886017.db2.gz DCPWOVUFJOBUGO-UHFFFAOYSA-N 0 1 299.212 2.292 20 10 CECDMN Cc1ccc(O)c(CN2CCc3sc(CN)nc3C2)c1 ZINC000710190395 809984150 /nfs/dbraw/zinc/98/41/50/809984150.db2.gz TZRIICRDPRQITG-UHFFFAOYSA-N 0 1 289.404 2.174 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@]1(C)C(=O)[O-] ZINC000710265519 809985838 /nfs/dbraw/zinc/98/58/38/809985838.db2.gz GVTXLLLYOFJQLJ-MLGOLLRUSA-N 0 1 276.380 2.295 20 10 CECDMN CCc1cccc(CN[C@@H](C)c2nnc(C)[nH]2)c1O ZINC000691460811 811860160 /nfs/dbraw/zinc/86/01/60/811860160.db2.gz SJAXWKQHJUOKDQ-VIFPVBQESA-N 0 1 260.341 2.232 20 10 CECDMN C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1C)c1ccccc1O ZINC001123746855 815551694 /nfs/dbraw/zinc/55/16/94/815551694.db2.gz NAFHYKFROSFPIO-CHWSQXEVSA-N 0 1 291.395 2.237 20 10 CECDMN CCn1ccnc1[C@@H](C)NCc1cc(OC)ccc1O ZINC000825006108 813810285 /nfs/dbraw/zinc/81/02/85/813810285.db2.gz YDRYLIJAONSXJA-LLVKDONJSA-N 0 1 275.352 2.468 20 10 CECDMN Cc1cc([C@@H]2CCCN2Cc2c(O)cc(O)cc2O)no1 ZINC001144500362 814091203 /nfs/dbraw/zinc/09/12/03/814091203.db2.gz SMRBRSVMIZVQEE-ZDUSSCGKSA-N 0 1 290.319 2.437 20 10 CECDMN CCSC[C@@H](C)NCC(=O)c1ccc(O)c(O)c1 ZINC001173294415 815653901 /nfs/dbraw/zinc/65/39/01/815653901.db2.gz IFEHKACDVVYROS-SECBINFHSA-N 0 1 269.366 2.012 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2F)C[C@@]1(C)O ZINC001137832667 815690239 /nfs/dbraw/zinc/69/02/39/815690239.db2.gz CXUYIWDMAXBUFF-QMTHXVAHSA-N 0 1 253.317 2.124 20 10 CECDMN CC[NH+](CC)CCN(C)Cc1c([O-])cccc1F ZINC001137832067 815690991 /nfs/dbraw/zinc/69/09/91/815690991.db2.gz ZIZNOZBCSIUZMD-UHFFFAOYSA-N 0 1 254.349 2.305 20 10 CECDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2F)CCC[C@@H]1O ZINC001137832865 815692866 /nfs/dbraw/zinc/69/28/66/815692866.db2.gz KOQATAAMTAGRJT-GWCFXTLKSA-N 0 1 253.317 2.124 20 10 CECDMN COC(=O)CC1CN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357769 815775338 /nfs/dbraw/zinc/77/53/38/815775338.db2.gz JRKSMBCZITWZOE-UHFFFAOYSA-N 0 1 288.391 2.064 20 10 CECDMN Cc1ccc(C)c(CN(C)Cc2ccncn2)c1O ZINC001140184997 816207369 /nfs/dbraw/zinc/20/73/69/816207369.db2.gz NSAYQCUXEGAGEC-UHFFFAOYSA-N 0 1 257.337 2.431 20 10 CECDMN O=C1NCC[C@]12CCC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140466303 816262621 /nfs/dbraw/zinc/26/26/21/816262621.db2.gz AVOXGUBDYSUQJD-HNNXBMFYSA-N 0 1 294.782 2.148 20 10 CECDMN O=C1NCC[C@]12CCC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140466303 816262626 /nfs/dbraw/zinc/26/26/26/816262626.db2.gz AVOXGUBDYSUQJD-HNNXBMFYSA-N 0 1 294.782 2.148 20 10 CECDMN Cc1c(O)ccc(CN2CCO[C@@H](C(C)C)C2)c1O ZINC001140748018 816341981 /nfs/dbraw/zinc/34/19/81/816341981.db2.gz RHKRKEJCZWKJNY-CQSZACIVSA-N 0 1 265.353 2.263 20 10 CECDMN CC[N@@H+](CCn1ccnc1)Cc1cc(F)c(F)cc1[O-] ZINC001142530829 816681413 /nfs/dbraw/zinc/68/14/13/816681413.db2.gz MGERSWNZZGHBDZ-UHFFFAOYSA-N 0 1 281.306 2.389 20 10 CECDMN C[NH+]1CC2(CN(Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143117151 816787917 /nfs/dbraw/zinc/78/79/17/816787917.db2.gz VLIOLYQPQXEVMZ-UHFFFAOYSA-N 0 1 274.408 2.437 20 10 CECDMN C[N@@H+](CC(=O)NCCC(C)(C)C)Cc1ccccc1O ZINC000111235600 364724457 /nfs/dbraw/zinc/72/44/57/364724457.db2.gz CNIQCEKWNFTBFD-UHFFFAOYSA-N 0 1 278.396 2.376 20 10 CECDMN CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000335808071 365010935 /nfs/dbraw/zinc/01/09/35/365010935.db2.gz HTXXFHJVAUNVFL-UHFFFAOYSA-N 0 1 285.391 2.154 20 10 CECDMN COC(=O)[C@H]1CCCCN1Cc1cccc(C)c1O ZINC000179631486 368344312 /nfs/dbraw/zinc/34/43/12/368344312.db2.gz BTELBUGPAZDWSO-CYBMUJFWSA-N 0 1 263.337 2.228 20 10 CECDMN C[NH+](Cc1cc(F)ccc1O)C[C@@H]1CCC[N@H+](C)C1 ZINC000179938736 368360539 /nfs/dbraw/zinc/36/05/39/368360539.db2.gz QBDLKILEQXGTSS-GFCCVEGCSA-N 0 1 266.360 2.305 20 10 CECDMN C[NH+](Cc1cc(F)ccc1O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000179938736 368360543 /nfs/dbraw/zinc/36/05/43/368360543.db2.gz QBDLKILEQXGTSS-GFCCVEGCSA-N 0 1 266.360 2.305 20 10 CECDMN CCCCCN(CC(N)=O)Cc1cc(OCC)ccc1O ZINC000180808169 368396060 /nfs/dbraw/zinc/39/60/60/368396060.db2.gz XMWDJZLXOCBMDO-UHFFFAOYSA-N 0 1 294.395 2.268 20 10 CECDMN CCC[C@@]1(C)C(=O)NCCN1Cc1cccc(C)c1O ZINC000189040215 369446935 /nfs/dbraw/zinc/44/69/35/369446935.db2.gz PPBJFDANGPOQBT-INIZCTEOSA-N 0 1 276.380 2.191 20 10 CECDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000226953522 370354881 /nfs/dbraw/zinc/35/48/81/370354881.db2.gz JNEORTWVXLJAGK-LBPRGKRZSA-N 0 1 286.169 2.015 20 10 CECDMN OC[C@@H]1CC(F)(F)CN1Cc1cccc(Cl)c1O ZINC000364651197 372784110 /nfs/dbraw/zinc/78/41/10/372784110.db2.gz IKCBFYIUPQMSGR-VIFPVBQESA-N 0 1 277.698 2.248 20 10 CECDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000271735192 373199912 /nfs/dbraw/zinc/19/99/12/373199912.db2.gz OFKQHVUNJNWTLB-SNVBAGLBSA-N 0 1 283.755 2.349 20 10 CECDMN COC(=O)c1ccc(CN(C)Cc2ccccc2O)[nH]1 ZINC000272766114 373649451 /nfs/dbraw/zinc/64/94/51/373649451.db2.gz RHHCVYXCNWDWOZ-UHFFFAOYSA-N 0 1 274.320 2.139 20 10 CECDMN C[C@@H](NCc1nncn1C)c1cc2c(cc1O)CCCC2 ZINC000273368732 373754063 /nfs/dbraw/zinc/75/40/63/373754063.db2.gz FOHIBUOOFPWELT-LLVKDONJSA-N 0 1 286.379 2.250 20 10 CECDMN Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2ccccc2O)n1 ZINC000371534777 373914592 /nfs/dbraw/zinc/91/45/92/373914592.db2.gz ORWHIJYDBTWXAG-OAHLLOKOSA-N 0 1 286.379 2.265 20 10 CECDMN CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1O ZINC000374872749 374632897 /nfs/dbraw/zinc/63/28/97/374632897.db2.gz FHZMKZZZAMLHNW-INIZCTEOSA-N 0 1 296.370 2.065 20 10 CECDMN CN(C)c1ccc(CN2CCO[C@@H](C3CC3)C2)cc1 ZINC000375331408 374653515 /nfs/dbraw/zinc/65/35/15/374653515.db2.gz KDKIWVZTEUBBPM-MRXNPFEDSA-N 0 1 260.381 2.363 20 10 CECDMN COc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1O ZINC000289258225 376391662 /nfs/dbraw/zinc/39/16/62/376391662.db2.gz FNELPXICAFQNOW-YIONKMFJSA-N 0 1 290.407 2.458 20 10 CECDMN COC[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@@H](C)O1 ZINC000294699761 378014798 /nfs/dbraw/zinc/01/47/98/378014798.db2.gz UJUMXWKMWZJUPD-ZBFHGGJFSA-N 0 1 292.423 2.297 20 10 CECDMN C[C@@H]1COCCN1Cc1cc(Cl)c(F)cc1O ZINC000294792430 378019799 /nfs/dbraw/zinc/01/97/99/378019799.db2.gz VHQJSNNZMNWJIC-MRVPVSSYSA-N 0 1 259.708 2.405 20 10 CECDMN CN(C)C(=O)O[C@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000294817035 378021112 /nfs/dbraw/zinc/02/11/12/378021112.db2.gz ONXPXXXYXOCQCZ-ZDUSSCGKSA-N 0 1 296.342 2.194 20 10 CECDMN CCOC[C@@H]1CN(Cc2cc(C)c(C)cc2O)CCO1 ZINC000529666381 380183125 /nfs/dbraw/zinc/18/31/25/380183125.db2.gz KFFAUCRSVUIGSN-HNNXBMFYSA-N 0 1 279.380 2.246 20 10 CECDMN Cc1c(CN(C)Cc2ccc(N(C)C)cc2)cnn1C ZINC000119907367 394772708 /nfs/dbraw/zinc/77/27/08/394772708.db2.gz DGXNJYCHCYYMSV-UHFFFAOYSA-N 0 1 272.396 2.427 20 10 CECDMN CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000133627978 394954177 /nfs/dbraw/zinc/95/41/77/394954177.db2.gz WKGGRXJTFDGYAW-SNVBAGLBSA-N 0 1 274.158 2.015 20 10 CECDMN CC[C@@H]1CO[C@H](C)CN1Cc1cccc(OC)c1O ZINC000131504441 394912905 /nfs/dbraw/zinc/91/29/05/394912905.db2.gz CNMVDKRPJPKOBB-DGCLKSJQSA-N 0 1 265.353 2.400 20 10 CECDMN C[C@@H]1CN=C(N2CCN(Cc3ccccc3O)CC2)S1 ZINC000179579990 395196582 /nfs/dbraw/zinc/19/65/82/395196582.db2.gz JHYRBPCEXMLIGX-GFCCVEGCSA-N 0 1 291.420 2.001 20 10 CECDMN Cc1ccc(O)c([C@H](C)NCc2nnc3n2CCCC3)c1 ZINC000183847653 395264881 /nfs/dbraw/zinc/26/48/81/395264881.db2.gz IFGINLCENNUGIM-LBPRGKRZSA-N 0 1 286.379 2.479 20 10 CECDMN CN(C)C(C)(C)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000020125837 171009073 /nfs/dbraw/zinc/00/90/73/171009073.db2.gz NEIDOCMWWIJWDT-UHFFFAOYSA-N 0 1 256.777 2.475 20 10 CECDMN C[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])N(C)C ZINC000163888948 261333991 /nfs/dbraw/zinc/33/39/91/261333991.db2.gz PPNSKYLRDJPJBO-VIFPVBQESA-N 0 1 287.201 2.194 20 10 CECDMN CC[C@H](c1ccccc1O)N1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000368028316 267137214 /nfs/dbraw/zinc/13/72/14/267137214.db2.gz CPLFLXXWTMOKAE-MRVWCRGKSA-N 0 1 293.363 2.106 20 10 CECDMN CC[C@@H](c1ccccc1O)N1CCOC[C@@]12CCOC2 ZINC000370736813 267343177 /nfs/dbraw/zinc/34/31/77/267343177.db2.gz HCJLVHMEJJYBNH-HOCLYGCPSA-N 0 1 277.364 2.335 20 10 CECDMN C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000527956355 297767601 /nfs/dbraw/zinc/76/76/01/297767601.db2.gz VODYDTGBXCWSBH-QCZZGDTMSA-N 0 1 285.771 2.236 20 10 CECDMN Cc1cccc(CN2CCOC[C@H]2[C@@H]2CCCO2)c1O ZINC000377706849 329026264 /nfs/dbraw/zinc/02/62/64/329026264.db2.gz ZHRJAIVLNYIQDY-GJZGRUSLSA-N 0 1 277.364 2.080 20 10 CECDMN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000180287390 329219324 /nfs/dbraw/zinc/21/93/24/329219324.db2.gz ZHQBDFUDNPYIQU-IIAWOOMASA-N 0 1 295.354 2.300 20 10 CECDMN O=C1Nc2ccccc2C[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000527799105 330284036 /nfs/dbraw/zinc/28/40/36/330284036.db2.gz JWVCIJCMOSLILW-INIZCTEOSA-N 0 1 294.354 2.275 20 10 CECDMN C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(F)c1[O-] ZINC000252778044 334392375 /nfs/dbraw/zinc/39/23/75/334392375.db2.gz QRWBOWLVPZGMEJ-AAEUAGOBSA-N 0 1 264.344 2.200 20 10 CECDMN C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(F)c1[O-] ZINC000252778044 334392376 /nfs/dbraw/zinc/39/23/76/334392376.db2.gz QRWBOWLVPZGMEJ-AAEUAGOBSA-N 0 1 264.344 2.200 20 10 CECDMN CC(=O)C(=O)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000289770222 519358242 /nfs/dbraw/zinc/35/82/42/519358242.db2.gz WEYJDPQGNRZURB-UHFFFAOYSA-N 0 1 281.381 2.178 20 10 CECDMN CC(=O)C(=O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000289770222 519358245 /nfs/dbraw/zinc/35/82/45/519358245.db2.gz WEYJDPQGNRZURB-UHFFFAOYSA-N 0 1 281.381 2.178 20 10 CECDMN CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000280939624 519539707 /nfs/dbraw/zinc/53/97/07/519539707.db2.gz IRVILVLIDOQSGH-YPMHNXCESA-N 0 1 294.370 2.440 20 10 CECDMN Cc1n[nH]c(C(=O)NCc2ccc3c(c2)CCCN3C)c1C ZINC000265195510 525466983 /nfs/dbraw/zinc/46/69/83/525466983.db2.gz ILNZUBWRBOOIDF-UHFFFAOYSA-N 0 1 298.390 2.339 20 10 CECDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(C)[nH]1 ZINC000731896797 574605339 /nfs/dbraw/zinc/60/53/39/574605339.db2.gz MDAZDEZMRISKJU-UHFFFAOYSA-N 0 1 286.379 2.446 20 10 CECDMN CO[C@H](CNCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000733329957 574665014 /nfs/dbraw/zinc/66/50/14/574665014.db2.gz MKVNHQGWKQGYDF-GFCCVEGCSA-N 0 1 275.270 2.288 20 10 CECDMN O=C([O-])C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000819513295 601601541 /nfs/dbraw/zinc/60/15/41/601601541.db2.gz KHNWVILKXWEHTA-UHFFFAOYSA-N 0 1 261.277 2.072 20 10 CECDMN O=C([O-])C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000819513295 601601543 /nfs/dbraw/zinc/60/15/43/601601543.db2.gz KHNWVILKXWEHTA-UHFFFAOYSA-N 0 1 261.277 2.072 20 10 CECDMN Cc1cc(O)c(C[N@H+](C)C(C)(C)C(=O)[O-])cc1C ZINC000833747223 604628532 /nfs/dbraw/zinc/62/85/32/604628532.db2.gz TYBOQLCSUYFJOJ-UHFFFAOYSA-N 0 1 251.326 2.304 20 10 CECDMN CC(C)(C)[NH2+]CCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890763401 622935844 /nfs/dbraw/zinc/93/58/44/622935844.db2.gz VNINOJHSFAEEOG-UHFFFAOYSA-N 0 1 284.787 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ZINC000850388678 642695602 /nfs/dbraw/zinc/69/56/02/642695602.db2.gz OSLIUMBXDBTBBS-QWHCGFSZSA-N 0 1 267.756 2.439 20 10 CECDMN COc1ccc(N2CC[C@@H](N[C@H](C)c3ncc[nH]3)C2)cc1 ZINC000850489734 642730679 /nfs/dbraw/zinc/73/06/79/642730679.db2.gz WNNZYBOHZUTBLZ-CHWSQXEVSA-N 0 1 286.379 2.348 20 10 CECDMN C[C@H]([NH2+]C/C=C/CO)c1cc(Br)ccc1[O-] ZINC000850507857 642734960 /nfs/dbraw/zinc/73/49/60/642734960.db2.gz IJRGBSFOLWUEFH-HPOULIHZSA-N 0 1 286.169 2.354 20 10 CECDMN C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(Br)cc1[O-] ZINC000850578270 642756219 /nfs/dbraw/zinc/75/62/19/642756219.db2.gz IVBQDXXDKDEVHR-HGNGGELXSA-N 0 1 286.169 2.329 20 10 CECDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877560783 650789405 /nfs/dbraw/zinc/78/94/05/650789405.db2.gz AOPDIZMUGXTNQN-ZYHUDNBSSA-N 0 1 271.307 2.263 20 10 CECDMN Cc1ccc(CN2CCCC[C@@H]2CS(C)(=O)=O)c(O)c1 ZINC000877568640 650793283 /nfs/dbraw/zinc/79/32/83/650793283.db2.gz TVQFBVOIMJBHBP-CQSZACIVSA-N 0 1 297.420 2.100 20 10 CECDMN Cc1cccc(O)c1CN1CCO[C@H](CCF)C1 ZINC000877657035 650837265 /nfs/dbraw/zinc/83/72/65/650837265.db2.gz FUVNZCCTSXUOFJ-GFCCVEGCSA-N 0 1 253.317 2.261 20 10 CECDMN Cc1cc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])ccc1N(C)C ZINC000923252775 643622773 /nfs/dbraw/zinc/62/27/73/643622773.db2.gz YBFBBOQGDDOTKF-IUODEOHRSA-N 0 1 276.380 2.499 20 10 CECDMN Cn1nnc2cc(CN3Cc4cccc(O)c4C3)ccc21 ZINC000877703143 650859197 /nfs/dbraw/zinc/85/91/97/650859197.db2.gz SZZCMERJRCQJOA-UHFFFAOYSA-N 0 1 280.331 2.190 20 10 CECDMN CC(C)(C)C[N@H+](CC(=O)[O-])Cc1cccc(F)c1O ZINC000854244304 644021042 /nfs/dbraw/zinc/02/10/42/644021042.db2.gz ZBUHRSVFWWNUFI-UHFFFAOYSA-N 0 1 269.316 2.464 20 10 CECDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cccc(F)c1O ZINC000854244304 644021046 /nfs/dbraw/zinc/02/10/46/644021046.db2.gz ZBUHRSVFWWNUFI-UHFFFAOYSA-N 0 1 269.316 2.464 20 10 CECDMN COC1(C)CN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000839100842 644147677 /nfs/dbraw/zinc/14/76/77/644147677.db2.gz FDTUBNMQYOZPDM-UHFFFAOYSA-N 0 1 259.708 2.405 20 10 CECDMN Oc1c(Cl)cccc1CN1CC(OC(F)F)C1 ZINC000839145826 644158083 /nfs/dbraw/zinc/15/80/83/644158083.db2.gz VRTPQNJTNKHCFL-UHFFFAOYSA-N 0 1 263.671 2.469 20 10 CECDMN CCOC(=O)[C@@H](C)C1CN(Cc2cc(F)ccc2O)C1 ZINC000877829894 650925444 /nfs/dbraw/zinc/92/54/44/650925444.db2.gz DYXXKLLUIZDWNR-JTQLQIEISA-N 0 1 281.327 2.162 20 10 CECDMN C[C@@H]([NH2+]C[C@H]1COCCO1)c1cc(Cl)ccc1[O-] ZINC000756434958 644648655 /nfs/dbraw/zinc/64/86/55/644648655.db2.gz RXLKDBZFEPZWGB-KOLCDFICSA-N 0 1 271.744 2.112 20 10 CECDMN C[C@@H]([NH2+]CC1(CO)CC1)c1cc(Cl)ccc1[O-] ZINC000756638004 644676632 /nfs/dbraw/zinc/67/66/32/644676632.db2.gz PWJUEBNQSXDABU-SECBINFHSA-N 0 1 255.745 2.469 20 10 CECDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000805134963 644774060 /nfs/dbraw/zinc/77/40/60/644774060.db2.gz LPNWHEFFDHUYOJ-UHFFFAOYSA-N 0 1 296.175 2.281 20 10 CECDMN C[C@H](NCc1cn(C)nn1)c1cc2c(cc1O)CCCC2 ZINC000757658104 644832830 /nfs/dbraw/zinc/83/28/30/644832830.db2.gz UWWBVXHYGAJUFN-NSHDSACASA-N 0 1 286.379 2.250 20 10 CECDMN CN(C)c1cc(F)c(CNC[C@H](O)c2ccco2)cc1F ZINC000858092563 645058424 /nfs/dbraw/zinc/05/84/24/645058424.db2.gz FTKBYMSFBIGFFX-AWEZNQCLSA-N 0 1 296.317 2.447 20 10 CECDMN CO[C@@]1(C)C[C@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000858194954 645086120 /nfs/dbraw/zinc/08/61/20/645086120.db2.gz MTOIXQVSSKCOQP-KGLIPLIRSA-N 0 1 270.323 2.298 20 10 CECDMN C[C@@H]([NH2+]C[C@H]1COCCN1C)c1cc(Cl)ccc1[O-] ZINC000858522536 645190508 /nfs/dbraw/zinc/19/05/08/645190508.db2.gz FTRKZNCWEDNIHR-PWSUYJOCSA-N 0 1 284.787 2.027 20 10 CECDMN Cc1cccc(CN2CC[C@@H](C)[S@](=O)CC2)c1O ZINC000763491061 645550927 /nfs/dbraw/zinc/55/09/27/645550927.db2.gz MKLUAOLWNWGYEE-KZULUSFZSA-N 0 1 267.394 2.044 20 10 CECDMN C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc(F)ccc1[O-] ZINC000763559463 645557418 /nfs/dbraw/zinc/55/74/18/645557418.db2.gz QPGNUPFHWGBXJE-NHYWBVRUSA-N 0 1 297.370 2.360 20 10 CECDMN COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768462033 646126792 /nfs/dbraw/zinc/12/67/92/646126792.db2.gz ZXHOXVUSMSETRH-VIFPVBQESA-N 0 1 269.728 2.041 20 10 CECDMN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768462033 646126794 /nfs/dbraw/zinc/12/67/94/646126794.db2.gz ZXHOXVUSMSETRH-VIFPVBQESA-N 0 1 269.728 2.041 20 10 CECDMN C/C=C/C[C@@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000769936075 646337083 /nfs/dbraw/zinc/33/70/83/646337083.db2.gz CYZGVMQQRURFFM-PBKGFPTLSA-N 0 1 255.745 2.462 20 10 CECDMN C[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C[C@H]1CO ZINC000862425495 646455933 /nfs/dbraw/zinc/45/59/33/646455933.db2.gz YEBQUKAOYPJWKF-AAEUAGOBSA-N 0 1 298.377 2.481 20 10 CECDMN C[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1CO ZINC000862425497 646456716 /nfs/dbraw/zinc/45/67/16/646456716.db2.gz YEBQUKAOYPJWKF-WCQYABFASA-N 0 1 298.377 2.481 20 10 CECDMN CCOc1ccc(O)c(CN2CCO[C@@](C)(COC)C2)c1 ZINC000862552374 646496621 /nfs/dbraw/zinc/49/66/21/646496621.db2.gz XGHGPRKGRGYEJN-MRXNPFEDSA-N 0 1 295.379 2.028 20 10 CECDMN CCN1CCCC[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000862758974 646558902 /nfs/dbraw/zinc/55/89/02/646558902.db2.gz RPZLKGNUUGORCR-AWEZNQCLSA-N 0 1 276.380 2.191 20 10 CECDMN C[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000863546645 646753990 /nfs/dbraw/zinc/75/39/90/646753990.db2.gz MFHWZEHNOQRTKA-MXWKQRLJSA-N 0 1 279.340 2.092 20 10 CECDMN CCN(CC[NH3+])Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000863550609 646754566 /nfs/dbraw/zinc/75/45/66/646754566.db2.gz BNKQJBIFEMRLLV-UHFFFAOYSA-N 0 1 270.760 2.029 20 10 CECDMN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccnn1C ZINC000774161430 646812094 /nfs/dbraw/zinc/81/20/94/646812094.db2.gz NBGIBFJAXKPGGZ-LLVKDONJSA-N 0 1 257.337 2.206 20 10 CECDMN C[C@H](NC(=O)[C@H]1CCCCN1C)c1ccc(N(C)C)cc1 ZINC000775402508 646950302 /nfs/dbraw/zinc/95/03/02/646950302.db2.gz DUDLSUAQDJCDGF-XJKSGUPXSA-N 0 1 289.423 2.414 20 10 CECDMN Oc1c(F)cc(Cl)cc1CN1CCC2(C1)OCCO2 ZINC000775678628 646980109 /nfs/dbraw/zinc/98/01/09/646980109.db2.gz HGSOPVPBCSPUFC-UHFFFAOYSA-N 0 1 287.718 2.134 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000778188551 647207144 /nfs/dbraw/zinc/20/71/44/647207144.db2.gz HSVQDFXBWNDJMI-JTQLQIEISA-N 0 1 277.755 2.347 20 10 CECDMN Cc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)nn1 ZINC000865296559 647236277 /nfs/dbraw/zinc/23/62/77/647236277.db2.gz ZWLWCDQQWBOJQB-UHFFFAOYSA-N 0 1 297.406 2.149 20 10 CECDMN C[C@@H]1C[C@H](C)N1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000791566672 648543884 /nfs/dbraw/zinc/54/38/84/648543884.db2.gz CJQVPGKCNXBHNX-OKILXGFUSA-N 0 1 289.423 2.194 20 10 CECDMN C[C@H]1COCCN1Cc1c(O)ccc(Cl)c1F ZINC000792166410 648617270 /nfs/dbraw/zinc/61/72/70/648617270.db2.gz AFGUIOGIZFWIDI-QMMMGPOBSA-N 0 1 259.708 2.405 20 10 CECDMN COc1c([O-])c(C[N@H+]2[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000793228725 648726932 /nfs/dbraw/zinc/72/69/32/648726932.db2.gz PVJZSUQLSUYWDO-DTORHVGOSA-N 0 1 266.297 2.292 20 10 CECDMN COc1c([O-])c(C[N@@H+]2[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000793228725 648726933 /nfs/dbraw/zinc/72/69/33/648726933.db2.gz PVJZSUQLSUYWDO-DTORHVGOSA-N 0 1 266.297 2.292 20 10 CECDMN CCn1ncnc1CNCc1c(O)ccc(Cl)c1F ZINC000793346387 648745138 /nfs/dbraw/zinc/74/51/38/648745138.db2.gz NFPKOBUEHUPKRF-UHFFFAOYSA-N 0 1 284.722 2.086 20 10 CECDMN COc1ccc(CNCc2c(C)nn(C)c2Cl)c(O)c1 ZINC000793388080 648749309 /nfs/dbraw/zinc/74/93/09/648749309.db2.gz KZYBIXMQUGJADI-UHFFFAOYSA-N 0 1 295.770 2.386 20 10 CECDMN CCC[C@@H]1C(=O)NCCN1Cc1cc(C)cc(C)c1O ZINC000128689737 651550382 /nfs/dbraw/zinc/55/03/82/651550382.db2.gz USBHSVJQPNJIHP-CQSZACIVSA-N 0 1 276.380 2.110 20 10 CECDMN CC[C@H]1COCCN1Cc1cccc(OC)c1O ZINC000132342845 652513899 /nfs/dbraw/zinc/51/38/99/652513899.db2.gz SJRLKXPZAMBADJ-LBPRGKRZSA-N 0 1 251.326 2.012 20 10 CECDMN C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])[C@@H]1CO ZINC001142508810 806608055 /nfs/dbraw/zinc/60/80/55/806608055.db2.gz MFCHHGAXDGFITC-TVQRCGJNSA-N 0 1 271.307 2.263 20 10 CECDMN CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530745 806622661 /nfs/dbraw/zinc/62/26/61/806622661.db2.gz LCJYKTUBGRNXOW-LBPRGKRZSA-N 0 1 298.333 2.113 20 10 CECDMN C[C@H](CCN(C)C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703330727 809639424 /nfs/dbraw/zinc/63/94/24/809639424.db2.gz YNBQXIDPCYICNN-SECBINFHSA-N 0 1 258.312 2.100 20 10 CECDMN Oc1cc(F)cc(F)c1CN1CCOCC(F)(F)C1 ZINC001140583174 803179457 /nfs/dbraw/zinc/17/94/57/803179457.db2.gz YAIIIODBXBOZFI-UHFFFAOYSA-N 0 1 279.233 2.138 20 10 CECDMN CCN1CC[C@H]1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000712525726 814763387 /nfs/dbraw/zinc/76/33/87/814763387.db2.gz CVDSQTCVMPVNPX-LBPRGKRZSA-N 0 1 299.212 2.339 20 10 CECDMN [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236297936 808056508 /nfs/dbraw/zinc/05/65/08/808056508.db2.gz UELSVFNSGHLVPT-XVKPBYJWSA-N 0 1 273.163 2.103 20 10 CECDMN Cc1cccc(CN2CCO[C@H](CCF)C2)c1O ZINC000700587749 809324811 /nfs/dbraw/zinc/32/48/11/809324811.db2.gz CYZKROYKKUAQNQ-CYBMUJFWSA-N 0 1 253.317 2.261 20 10 CECDMN CC1(C[NH2+]Cc2ccc(Br)cc2[O-])COC1 ZINC000701061740 809387442 /nfs/dbraw/zinc/38/74/42/809387442.db2.gz ZCBVXHIBWXXLBB-UHFFFAOYSA-N 0 1 286.169 2.281 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+]CCOCCF ZINC000702616014 809570209 /nfs/dbraw/zinc/57/02/09/809570209.db2.gz UKKZFRRTJDIBLW-UHFFFAOYSA-N 0 1 292.148 2.230 20 10 CECDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001137838546 809801029 /nfs/dbraw/zinc/80/10/29/809801029.db2.gz CNIUSHSILAYPQL-CQSZACIVSA-N 0 1 251.301 2.286 20 10 CECDMN C[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)CO1 ZINC000706835614 809856479 /nfs/dbraw/zinc/85/64/79/809856479.db2.gz CEMZIDMGYNCVSM-DTWKUNHWSA-N 0 1 286.169 2.422 20 10 CECDMN Oc1c(F)cc(F)cc1CN1CCO[C@@H](CCF)C1 ZINC000708386506 809928015 /nfs/dbraw/zinc/92/80/15/809928015.db2.gz VHDFPJWKQWLCPR-NSHDSACASA-N 0 1 275.270 2.231 20 10 CECDMN C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc2ccccc2c1O ZINC001276373804 810759790 /nfs/dbraw/zinc/75/97/90/810759790.db2.gz JRHJYCBPHYVCPG-GASCZTMLSA-N 0 1 268.360 2.434 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+]CCCCCO ZINC000691452941 811857751 /nfs/dbraw/zinc/85/77/51/811857751.db2.gz GNBBLAQQGFFUPO-UHFFFAOYSA-N 0 1 288.185 2.407 20 10 CECDMN C[C@H](CCO)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691454908 811857858 /nfs/dbraw/zinc/85/78/58/811857858.db2.gz NCKABJTUPNEMMF-SECBINFHSA-N 0 1 288.185 2.263 20 10 CECDMN C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1C)c1ccccc1O ZINC001123746857 815551735 /nfs/dbraw/zinc/55/17/35/815551735.db2.gz NAFHYKFROSFPIO-OLZOCXBDSA-N 0 1 291.395 2.237 20 10 CECDMN CC1(C)[C@@H]2C[C@@H]([NH2+]CC(=O)c3ccc([O-])c(O)c3)C[C@@H]21 ZINC001170726293 813205443 /nfs/dbraw/zinc/20/54/43/813205443.db2.gz DCUQYCXKGADLAN-CNDDSTCGSA-N 0 1 275.348 2.305 20 10 CECDMN Oc1cc(F)c(Br)cc1CN1CCCO1 ZINC001144298813 814020697 /nfs/dbraw/zinc/02/06/97/814020697.db2.gz JPKGSJMBPVGJTL-UHFFFAOYSA-N 0 1 276.105 2.431 20 10 CECDMN Oc1cc(F)c(Br)cc1CN1CCOCC1 ZINC001144298984 814020782 /nfs/dbraw/zinc/02/07/82/814020782.db2.gz NVCSAJGXJMTCBU-UHFFFAOYSA-N 0 1 290.132 2.126 20 10 CECDMN CC(C)[N@H+](Cc1c(O)cc(O)cc1O)CC1CC1 ZINC001144509078 814097286 /nfs/dbraw/zinc/09/72/86/814097286.db2.gz KIPZEBUKFBSFGT-UHFFFAOYSA-N 0 1 251.326 2.424 20 10 CECDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1cccc(O)c1O ZINC001148218749 814538547 /nfs/dbraw/zinc/53/85/47/814538547.db2.gz KBWUCGYUPVRLGC-UHFFFAOYSA-N 0 1 296.286 2.135 20 10 CECDMN Cc1c[nH]c(CNCc2cc(Cl)ccc2O)n1 ZINC000693513264 814623950 /nfs/dbraw/zinc/62/39/50/814623950.db2.gz SYJWCXCVUADZCC-UHFFFAOYSA-N 0 1 251.717 2.367 20 10 CECDMN COC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2F)CC1 ZINC001137841462 815695948 /nfs/dbraw/zinc/69/59/48/815695948.db2.gz FRHAIQDFAYPBEP-NSHDSACASA-N 0 1 281.327 2.306 20 10 CECDMN CC(=O)N1CC[C@H]([N@H+](Cc2cccc(F)c2[O-])C(C)C)C1 ZINC001138129798 815733450 /nfs/dbraw/zinc/73/34/50/815733450.db2.gz WVPLBJNHDIUCGA-AWEZNQCLSA-N 0 1 294.370 2.363 20 10 CECDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)C1CC1 ZINC001139126520 815964865 /nfs/dbraw/zinc/96/48/65/815964865.db2.gz INCNDONFCJEOFY-UHFFFAOYSA-N 0 1 259.305 2.401 20 10 CECDMN N[C@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001206229851 816072377 /nfs/dbraw/zinc/07/23/77/816072377.db2.gz SSXVWWBCFVERCB-LLVKDONJSA-N 0 1 296.239 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CCC[N@@H+]1C[C@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@H]2C1 ZINC001142531084 816680961 /nfs/dbraw/zinc/68/09/61/816680961.db2.gz PJBAJRAUVUCNLC-BETUJISGSA-N 0 1 296.361 2.444 20 10 CECDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001142531412 816682743 /nfs/dbraw/zinc/68/27/43/816682743.db2.gz WQLUHOZNMUSUGZ-NSHDSACASA-N 0 1 299.317 2.398 20 10 CECDMN CCNC(=O)CN(C)Cc1cccc(C(C)(C)C)c1O ZINC001143103430 816785961 /nfs/dbraw/zinc/78/59/61/816785961.db2.gz CZVPYPIJFHTEHY-UHFFFAOYSA-N 0 1 278.396 2.258 20 10 CECDMN [NH3+]C[C@@]1(F)CCCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001206362388 816828651 /nfs/dbraw/zinc/82/86/51/816828651.db2.gz PABRTMLCBAFOQY-AWEZNQCLSA-N 0 1 288.313 2.323 20 10 CECDMN COC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000123236566 365636202 /nfs/dbraw/zinc/63/62/02/365636202.db2.gz BLBFACVYZJUFHU-SNVBAGLBSA-N 0 1 283.755 2.431 20 10 CECDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000123236566 365636207 /nfs/dbraw/zinc/63/62/07/365636207.db2.gz 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/nfs/dbraw/zinc/55/66/21/370556621.db2.gz JAUKYWNHMBTBNC-VIFPVBQESA-N 0 1 287.201 2.194 20 10 CECDMN COCC[C@@H]1COCCN1Cc1cc(C)c(C)cc1O ZINC000365804672 372941965 /nfs/dbraw/zinc/94/19/65/372941965.db2.gz RAARIEUUUWUTDJ-OAHLLOKOSA-N 0 1 279.380 2.246 20 10 CECDMN Oc1ccc(F)cc1CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000272214342 373364647 /nfs/dbraw/zinc/36/46/47/373364647.db2.gz AZXDYLMBUQEZTF-CMPLNLGQSA-N 0 1 293.260 2.419 20 10 CECDMN CC(C)N1CCN(Cc2cccc(Cl)c2O)CC1=O ZINC000272479846 373509270 /nfs/dbraw/zinc/50/92/70/373509270.db2.gz BUWKIQAEIQJAAK-UHFFFAOYSA-N 0 1 282.771 2.098 20 10 CECDMN Cc1cn[nH]c1CN1CCOc2cc(N(C)C)ccc21 ZINC000283999991 375794238 /nfs/dbraw/zinc/79/42/38/375794238.db2.gz JVQDVCBYYUWGJC-UHFFFAOYSA-N 0 1 272.352 2.183 20 10 CECDMN CCC[C@@H](O)CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000296815671 378654409 /nfs/dbraw/zinc/65/44/09/378654409.db2.gz QJLITNLPHZNVJJ-CQSZACIVSA-N 0 1 296.386 2.117 20 10 CECDMN C[C@@H](O)CC[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000093481040 394666996 /nfs/dbraw/zinc/66/69/96/394666996.db2.gz UZPBSELSAHZXSI-SECBINFHSA-N 0 1 288.185 2.357 20 10 CECDMN C[C@@H](O)CC[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000093481040 394667002 /nfs/dbraw/zinc/66/70/02/394667002.db2.gz UZPBSELSAHZXSI-SECBINFHSA-N 0 1 288.185 2.357 20 10 CECDMN CCOc1cccc(CN2CCOC[C@@H]2C2CC2)c1O ZINC000093645468 394668103 /nfs/dbraw/zinc/66/81/03/394668103.db2.gz VUNJLFDXQGCXFG-CQSZACIVSA-N 0 1 277.364 2.402 20 10 CECDMN COC(=O)[C@@H](C)C[N@H+](C)Cc1c([O-])cccc1Cl ZINC000120610682 394781395 /nfs/dbraw/zinc/78/13/95/394781395.db2.gz HBXGOIGTMBVYJI-VIFPVBQESA-N 0 1 271.744 2.287 20 10 CECDMN COC(=O)[C@@H](C)C[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000120610682 394781397 /nfs/dbraw/zinc/78/13/97/394781397.db2.gz HBXGOIGTMBVYJI-VIFPVBQESA-N 0 1 271.744 2.287 20 10 CECDMN C[C@@H]([NH2+]C[C@H](C)O)c1ccc(Br)cc1[O-] ZINC000134899609 394959425 /nfs/dbraw/zinc/95/94/25/394959425.db2.gz AUKPKTLUXGEFII-JGVFFNPUSA-N 0 1 274.158 2.186 20 10 CECDMN COC[C@H](C)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179368086 395192325 /nfs/dbraw/zinc/19/23/25/395192325.db2.gz WBKQTZAFUPJABD-QMMMGPOBSA-N 0 1 288.731 2.421 20 10 CECDMN CCN(Cc1ccc(N(C)C)cc1)C[C@H](O)C(F)(F)F ZINC000183923241 395268280 /nfs/dbraw/zinc/26/82/80/395268280.db2.gz ONLWRPGSPXQYFC-ZDUSSCGKSA-N 0 1 290.329 2.498 20 10 CECDMN CN1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])C[C@@H]2C1 ZINC000194534593 395439949 /nfs/dbraw/zinc/43/99/49/395439949.db2.gz AGIFJKKAQATUAD-TXEJJXNPSA-N 0 1 266.772 2.039 20 10 CECDMN CN1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@@H]2C1 ZINC000194534593 395439952 /nfs/dbraw/zinc/43/99/52/395439952.db2.gz AGIFJKKAQATUAD-TXEJJXNPSA-N 0 1 266.772 2.039 20 10 CECDMN CCN(C)c1ccc([C@H](C)NCCS(=O)(=O)CC)cc1 ZINC000163479870 261318750 /nfs/dbraw/zinc/31/87/50/261318750.db2.gz ZFNAAAJJQOJYNK-ZDUSSCGKSA-N 0 1 298.452 2.228 20 10 CECDMN CC(C)(CCO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000164846905 261360126 /nfs/dbraw/zinc/36/01/26/261360126.db2.gz JYKQADXNOLSDTL-UHFFFAOYSA-N 0 1 288.185 2.405 20 10 CECDMN CC[C@H](O)CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000166139401 261384092 /nfs/dbraw/zinc/38/40/92/261384092.db2.gz RWCUWWVGLOAACP-NSHDSACASA-N 0 1 288.185 2.405 20 10 CECDMN CCOC(=O)[C@H]1CCCN1Cc1cc(C)ccc1O ZINC000185619592 262062815 /nfs/dbraw/zinc/06/28/15/262062815.db2.gz MODUNKGOCXOFFG-CYBMUJFWSA-N 0 1 263.337 2.228 20 10 CECDMN C[C@H](CCN(C)C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273570617 298416322 /nfs/dbraw/zinc/41/63/22/298416322.db2.gz KNGITJUFLHKYAE-GHMZBOCLSA-N 0 1 281.356 2.291 20 10 CECDMN Cc1cccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1O ZINC000291305050 328262956 /nfs/dbraw/zinc/26/29/56/328262956.db2.gz QZSNOUMAVOTZNC-LBPRGKRZSA-N 0 1 271.307 2.150 20 10 CECDMN CCCC(=O)N1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000378491656 329052477 /nfs/dbraw/zinc/05/24/77/329052477.db2.gz FQEJHENDJARQHP-UHFFFAOYSA-N 0 1 294.370 2.366 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCC[C@H]2CCO)c1[O-] ZINC000279281453 518286977 /nfs/dbraw/zinc/28/69/77/518286977.db2.gz ONLIMJOLNCNUBC-NHYWBVRUSA-N 0 1 295.354 2.375 20 10 CECDMN COCc1ccc(CNCc2cccc(OC)c2O)o1 ZINC000289548753 522987435 /nfs/dbraw/zinc/98/74/35/522987435.db2.gz XLYBLNVKOQOSAF-UHFFFAOYSA-N 0 1 277.320 2.430 20 10 CECDMN CN(C)C(C)(C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000083551290 524033361 /nfs/dbraw/zinc/03/33/61/524033361.db2.gz QOEHKIAWJPORMR-UHFFFAOYSA-N 0 1 256.777 2.475 20 10 CECDMN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](C2CC2)O1 ZINC000280502521 524614025 /nfs/dbraw/zinc/61/40/25/524614025.db2.gz GGJYRRRXMVHYFK-QFYYESIMSA-N 0 1 291.347 2.120 20 10 CECDMN C[C@H]1CN(Cc2cccc(Cl)c2O)CC[S@@](=O)C1 ZINC000277384596 524622583 /nfs/dbraw/zinc/62/25/83/524622583.db2.gz GNGLUBFNBMYDSV-XTZNXHDOSA-N 0 1 287.812 2.246 20 10 CECDMN Cc1ccc(O)c(CN2CC(O)(c3ccccc3)C2)c1 ZINC000291519856 525338560 /nfs/dbraw/zinc/33/85/60/525338560.db2.gz JAIPJJGHOJVXJC-UHFFFAOYSA-N 0 1 269.344 2.404 20 10 CECDMN Cc1c[nH]nc1CNCc1ccc2c(c1)CCCN2C ZINC000289907972 526032670 /nfs/dbraw/zinc/03/26/70/526032670.db2.gz NUQFHUBQVQDEJR-UHFFFAOYSA-N 0 1 270.380 2.390 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291272370 527595256 /nfs/dbraw/zinc/59/52/56/527595256.db2.gz NWZDAGSNKHUFKO-VIFPVBQESA-N 0 1 291.725 2.495 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291272370 527595261 /nfs/dbraw/zinc/59/52/61/527595261.db2.gz NWZDAGSNKHUFKO-VIFPVBQESA-N 0 1 291.725 2.495 20 10 CECDMN OC[C@@H]1CN(Cc2c(O)cccc2Cl)CCC1(F)F ZINC000291272370 527595267 /nfs/dbraw/zinc/59/52/67/527595267.db2.gz NWZDAGSNKHUFKO-VIFPVBQESA-N 0 1 291.725 2.495 20 10 CECDMN O=C([O-])[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000739582848 574488956 /nfs/dbraw/zinc/48/89/56/574488956.db2.gz KBLUXAZHMGTKIH-LBPRGKRZSA-N 0 1 286.331 2.237 20 10 CECDMN CCN1CCCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000732293122 574618293 /nfs/dbraw/zinc/61/82/93/574618293.db2.gz CRDUSWMBVLODGI-SNVBAGLBSA-N 0 1 268.382 2.058 20 10 CECDMN Cc1n[nH]c(C(=O)NCc2ccc(N(C)C)cc2C)c1C ZINC000734468196 574716285 /nfs/dbraw/zinc/71/62/85/574716285.db2.gz PYIZXLKTBXIDGB-UHFFFAOYSA-N 0 1 286.379 2.331 20 10 CECDMN Cc1cc(O)c(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1C ZINC000738464035 574864716 /nfs/dbraw/zinc/86/47/16/574864716.db2.gz XRBAXAITTVTPRO-LBPRGKRZSA-N 0 1 263.337 2.306 20 10 CECDMN Cc1cc(O)c(C[N@H+]2CC[C@](F)(C(=O)[O-])C2)cc1C ZINC000832897994 601372370 /nfs/dbraw/zinc/37/23/70/601372370.db2.gz AKLNVZSHVCLECD-CQSZACIVSA-N 0 1 267.300 2.008 20 10 CECDMN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000086725935 604526618 /nfs/dbraw/zinc/52/66/18/604526618.db2.gz YAYHNFHDDJWDQK-JTQLQIEISA-N 0 1 255.701 2.095 20 10 CECDMN O=C([O-])N[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000834189627 605501119 /nfs/dbraw/zinc/50/11/19/605501119.db2.gz NOWXOCGQJRBPAT-CQSZACIVSA-N 0 1 290.363 2.113 20 10 CECDMN C[C@H](NCc1cnn(C)n1)c1cc2c(cc1O)CCCC2 ZINC000806167428 622871243 /nfs/dbraw/zinc/87/12/43/622871243.db2.gz VRCHUVFCDJRCPJ-NSHDSACASA-N 0 1 286.379 2.250 20 10 CECDMN CN(C)c1ccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000086756825 623351004 /nfs/dbraw/zinc/35/10/04/623351004.db2.gz FXTLJQUWPUFVBO-CQSZACIVSA-N 0 1 276.380 2.439 20 10 CECDMN COc1ccc(CN2C[C@@H](C)OC(C)(C)C2)c(O)c1OC ZINC000891796342 623976546 /nfs/dbraw/zinc/97/65/46/623976546.db2.gz CNTQNXJIEVVYLE-LLVKDONJSA-N 0 1 295.379 2.409 20 10 CECDMN CC[C@@]1(C)CN(Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000893908254 629048719 /nfs/dbraw/zinc/04/87/19/629048719.db2.gz UTQCXDRCISUILM-INIZCTEOSA-N 0 1 295.379 2.410 20 10 CECDMN [O-]c1c(F)cc(F)cc1C[N@H+](CCCO)C1CC1 ZINC000894019431 629085506 /nfs/dbraw/zinc/08/55/06/629085506.db2.gz CLAWAKNKDINHCS-UHFFFAOYSA-N 0 1 257.280 2.017 20 10 CECDMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(F)cc(F)c1[O-] ZINC000894482279 629481447 /nfs/dbraw/zinc/48/14/47/629481447.db2.gz BJVQHGVLABQZIC-VHSXEESVSA-N 0 1 270.323 2.195 20 10 CECDMN CCCN1CCCN(Cc2cc(F)cc(F)c2O)CC1=O ZINC000894538860 629520396 /nfs/dbraw/zinc/52/03/96/629520396.db2.gz NOFFYKJZNHQJCV-UHFFFAOYSA-N 0 1 298.333 2.115 20 10 CECDMN C[N@@H+](CCCn1ccnc1)Cc1cc(F)cc(F)c1[O-] ZINC000894776541 629632337 /nfs/dbraw/zinc/63/23/37/629632337.db2.gz HIDYBSGTEKJTLQ-UHFFFAOYSA-N 0 1 281.306 2.389 20 10 CECDMN C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000895014928 629798758 /nfs/dbraw/zinc/79/87/58/629798758.db2.gz QJNCKICSWFGQKT-NXEZZACHSA-N 0 1 271.307 2.263 20 10 CECDMN COC(=O)[C@](C)(CCF)NCc1cc(F)cc(F)c1O ZINC000895278535 630075697 /nfs/dbraw/zinc/07/56/97/630075697.db2.gz LZRKXGDGNHSYME-ZDUSSCGKSA-N 0 1 291.269 2.051 20 10 CECDMN COc1c([O-])c(C[NH+]2CCC(F)CC2)ccc1[N+](=O)[O-] ZINC000895547085 630238828 /nfs/dbraw/zinc/23/88/28/630238828.db2.gz KWIYZVYLPPOXBR-UHFFFAOYSA-N 0 1 284.287 2.243 20 10 CECDMN CC(C)OC1CN(Cc2cc(F)cc(F)c2O)C1 ZINC000895956363 630418308 /nfs/dbraw/zinc/41/83/08/630418308.db2.gz KZAXISBRUCVXKR-UHFFFAOYSA-N 0 1 257.280 2.280 20 10 CECDMN Cc1ccc(O)c(CN2CCC[C@@H](S(C)(=O)=O)CC2)c1 ZINC000800534013 631132966 /nfs/dbraw/zinc/13/29/66/631132966.db2.gz IUJSGMNKCHTQSD-CQSZACIVSA-N 0 1 297.420 2.100 20 10 CECDMN CCCCN(Cc1ccccc1O)C(=O)c1[nH]nnc1C ZINC000801549259 631288094 /nfs/dbraw/zinc/28/80/94/631288094.db2.gz ICLNVZPCPOJBDF-UHFFFAOYSA-N 0 1 288.351 2.261 20 10 CECDMN COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841751640 631669179 /nfs/dbraw/zinc/66/91/79/631669179.db2.gz IIZZJGHCFJJQLO-ONGXEEELSA-N 0 1 273.760 2.094 20 10 CECDMN COc1nn(C)cc1CNCc1ccc(N(C)C)cc1C ZINC000898026163 632020877 /nfs/dbraw/zinc/02/08/77/632020877.db2.gz XQLQDTPVMYYGKE-UHFFFAOYSA-N 0 1 288.395 2.093 20 10 CECDMN CC[C@@H]([NH2+]CCO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810206655 632195275 /nfs/dbraw/zinc/19/52/75/632195275.db2.gz BGJCRIPMHCHUJJ-SNVBAGLBSA-N 0 1 263.259 2.444 20 10 CECDMN C[N@H+]1C[C@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])[C@@H]2C1 ZINC000814173729 632799270 /nfs/dbraw/zinc/79/92/70/632799270.db2.gz PDIKVPZTVMTXSL-NOZJJQNGSA-N 0 1 284.762 2.321 20 10 CECDMN CN1C[C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])[C@@H]2C1 ZINC000814173729 632799274 /nfs/dbraw/zinc/79/92/74/632799274.db2.gz PDIKVPZTVMTXSL-NOZJJQNGSA-N 0 1 284.762 2.321 20 10 CECDMN CN1C[C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])[C@@H]2C1 ZINC000814173729 632799280 /nfs/dbraw/zinc/79/92/80/632799280.db2.gz PDIKVPZTVMTXSL-NOZJJQNGSA-N 0 1 284.762 2.321 20 10 CECDMN COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c([O-])ccc(Cl)c3F)C[C@@H]21 ZINC000814173629 632799392 /nfs/dbraw/zinc/79/93/92/632799392.db2.gz UDIPKJMMHZOGKZ-JDICNCQASA-N 0 1 299.729 2.036 20 10 CECDMN Cc1cc(CN2CC[C@H](C)C[C@H]2C(N)=O)ccc1N(C)C ZINC000815095167 632957953 /nfs/dbraw/zinc/95/79/53/632957953.db2.gz AMUJVLPQKGKLMP-LRDDRELGSA-N 0 1 289.423 2.147 20 10 CECDMN CCNC(=O)CN(C)Cc1ccc2ccccc2c1O ZINC000816494100 633399385 /nfs/dbraw/zinc/39/93/85/633399385.db2.gz YGCBZFVYKFKTPB-UHFFFAOYSA-N 0 1 272.348 2.113 20 10 CECDMN COc1c([O-])c(C[N@@H+]2C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000816647221 633455848 /nfs/dbraw/zinc/45/58/48/633455848.db2.gz PKANKUOWYUZCQJ-DTWKUNHWSA-N 0 1 266.297 2.149 20 10 CECDMN COc1c([O-])c(C[N@H+]2C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000816647221 633455851 /nfs/dbraw/zinc/45/58/51/633455851.db2.gz PKANKUOWYUZCQJ-DTWKUNHWSA-N 0 1 266.297 2.149 20 10 CECDMN C[C@H](N[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817945273 633792343 /nfs/dbraw/zinc/79/23/43/633792343.db2.gz YSIHXDKKYWHDAB-DTWKUNHWSA-N 0 1 274.286 2.424 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000824575867 635455046 /nfs/dbraw/zinc/45/50/46/635455046.db2.gz SMTBUAYEVCWKIP-MNOVXSKESA-N 0 1 296.798 2.440 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000824575867 635455057 /nfs/dbraw/zinc/45/50/57/635455057.db2.gz SMTBUAYEVCWKIP-MNOVXSKESA-N 0 1 296.798 2.440 20 10 CECDMN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(N)nn1 ZINC000904302902 635555254 /nfs/dbraw/zinc/55/52/54/635555254.db2.gz ZDNVDANRNITBGB-UHFFFAOYSA-N 0 1 285.395 2.147 20 10 CECDMN CC1CCN(C(=[NH2+])NCc2c([O-])cccc2F)CC1 ZINC000905032868 635780829 /nfs/dbraw/zinc/78/08/29/635780829.db2.gz ZYCTVAHSHJOINA-UHFFFAOYSA-N 0 1 265.332 2.288 20 10 CECDMN C[C@H]1C[NH+](Cc2cc(Cl)ccc2[O-])C[C@H](C)C1O ZINC000827151451 636238094 /nfs/dbraw/zinc/23/80/94/636238094.db2.gz BIHPKJJCPPCDJN-UWVGGRQHSA-N 0 1 269.772 2.494 20 10 CECDMN Cc1cc(O)c(CN2CCCN(C=O)CC2)cc1Cl ZINC000827867411 636447476 /nfs/dbraw/zinc/44/74/76/636447476.db2.gz HRGUPVLSQOTMSM-UHFFFAOYSA-N 0 1 282.771 2.018 20 10 CECDMN C[C@H](NCc1cn(C2CC2)nn1)c1ccccc1O ZINC000906323002 636702728 /nfs/dbraw/zinc/70/27/28/636702728.db2.gz NLURNTUSALWPTE-JTQLQIEISA-N 0 1 258.325 2.169 20 10 CECDMN [O-]c1c(C[N@H+]2CCCC[C@@H]2C2OCCO2)ccc(F)c1F ZINC000876679254 650395889 /nfs/dbraw/zinc/39/58/89/650395889.db2.gz OAMIYHBRPIWFFP-GFCCVEGCSA-N 0 1 299.317 2.398 20 10 CECDMN COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876782042 650429161 /nfs/dbraw/zinc/42/91/61/650429161.db2.gz MHKOUEUDHGBNHF-CQSZACIVSA-N 0 1 285.290 2.055 20 10 CECDMN Cc1cccc(O)c1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000876798149 650437051 /nfs/dbraw/zinc/43/70/51/650437051.db2.gz FHHQRIOSJPFQPR-HIFRSBDPSA-N 0 1 279.405 2.407 20 10 CECDMN CC[C@@H](C)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000055083787 639340148 /nfs/dbraw/zinc/34/01/48/639340148.db2.gz AYJNACJDICAECB-GFCCVEGCSA-N 0 1 276.384 2.217 20 10 CECDMN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)N(C)C ZINC000840557579 639492437 /nfs/dbraw/zinc/49/24/37/639492437.db2.gz RLCYDGWMOKCEPN-KBPBESRZSA-N 0 1 291.439 2.058 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCC[S@](C)=O)c(Cl)c1 ZINC000840899360 639576814 /nfs/dbraw/zinc/57/68/14/639576814.db2.gz VPRKHUSUNUKOIT-KRWDZBQOSA-N 0 1 275.801 2.212 20 10 CECDMN CCc1nncn1CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840900746 639578004 /nfs/dbraw/zinc/57/80/04/639578004.db2.gz DGZBZPCDHRIHEE-UHFFFAOYSA-N 0 1 294.786 2.298 20 10 CECDMN Oc1cc(F)c(Cl)cc1CN1CCO[C@@H](CF)C1 ZINC000840953838 639598719 /nfs/dbraw/zinc/59/87/19/639598719.db2.gz BETQXCLTZXRHIJ-VIFPVBQESA-N 0 1 277.698 2.355 20 10 CECDMN C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(Cl)cc1[O-] ZINC000841743561 639855262 /nfs/dbraw/zinc/85/52/62/639855262.db2.gz AYNQOOHFGFRZDN-BXKDBHETSA-N 0 1 282.771 2.365 20 10 CECDMN C[C@@H]([NH2+]CCN1CCC1)c1ccc(Cl)cc1[O-] ZINC000841752440 639857965 /nfs/dbraw/zinc/85/79/65/639857965.db2.gz SNKZDJHEPRXHSQ-SNVBAGLBSA-N 0 1 254.761 2.402 20 10 CECDMN C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(Cl)cc1[O-] ZINC000841752546 639858790 /nfs/dbraw/zinc/85/87/90/639858790.db2.gz UFNJJZXDNOUCPB-IUCAKERBSA-N 0 1 291.800 2.129 20 10 CECDMN COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756236 639859939 /nfs/dbraw/zinc/85/99/39/639859939.db2.gz WGLNTGOCVXSTQT-ONGXEEELSA-N 0 1 273.760 2.094 20 10 CECDMN COCC(COC)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841756879 639860024 /nfs/dbraw/zinc/86/00/24/639860024.db2.gz LBCFSRMXDWWCET-SECBINFHSA-N 0 1 273.760 2.358 20 10 CECDMN CCn1cncc1CNCc1ccc(N(C)C)c(F)c1 ZINC000841860442 639885695 /nfs/dbraw/zinc/88/56/95/639885695.db2.gz VHPBNIJBMVPQGY-UHFFFAOYSA-N 0 1 276.359 2.398 20 10 CECDMN Cc1cc(Br)c([O-])c(CN2CC[NH2+]C[C@@H]2C)c1 ZINC000843046877 640244222 /nfs/dbraw/zinc/24/42/22/640244222.db2.gz CYXDRDNLPQYBPJ-JTQLQIEISA-N 0 1 299.212 2.257 20 10 CECDMN C[NH2+][C@H]1CCN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000843045825 640250680 /nfs/dbraw/zinc/25/06/80/640250680.db2.gz XISQREZZKSUCAM-NSHDSACASA-N 0 1 299.212 2.257 20 10 CECDMN C[NH2+][C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000843344612 640396234 /nfs/dbraw/zinc/39/62/34/640396234.db2.gz NQMQWXHPXANEMQ-LBPRGKRZSA-N 0 1 282.771 2.042 20 10 CECDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000844838851 640849590 /nfs/dbraw/zinc/84/95/90/640849590.db2.gz IBIGYQDPBGCIIJ-GFCCVEGCSA-N 0 1 283.299 2.029 20 10 CECDMN CC1CCN(CC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846476230 641312075 /nfs/dbraw/zinc/31/20/75/641312075.db2.gz LXOJFJKSGMLXKS-UHFFFAOYSA-N 0 1 296.798 2.394 20 10 CECDMN CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179563730 641366154 /nfs/dbraw/zinc/36/61/54/641366154.db2.gz ZUJWHOIKRWRWIJ-CQSZACIVSA-N 0 1 276.380 2.225 20 10 CECDMN COc1ccc(N2CCN(C(C)C)CC2)c(OC)c1 ZINC000846745960 641409809 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COCC[C@@H]1COCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000291162114 377099271 /nfs/dbraw/zinc/09/92/71/377099271.db2.gz CPQMVNFMIBREGG-GFCCVEGCSA-N 0 1 285.771 2.283 20 10 CECDMN Oc1cc(F)c(Cl)cc1CN1CCn2cncc2C1 ZINC000293953867 377845044 /nfs/dbraw/zinc/84/50/44/377845044.db2.gz PHIVAIWXAWCYOV-UHFFFAOYSA-N 0 1 281.718 2.397 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])[C@@H]1CO ZINC000294776918 378018631 /nfs/dbraw/zinc/01/86/31/378018631.db2.gz UDLXFKWUZKPUGS-QPUJVOFHSA-N 0 1 273.735 2.387 20 10 CECDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000294878608 378025262 /nfs/dbraw/zinc/02/52/62/378025262.db2.gz KSGUFZNZCCTTTM-MRVPVSSYSA-N 0 1 259.708 2.405 20 10 CECDMN COC(=O)c1cnc(SCc2n[nH]c(C(C)C)n2)s1 ZINC000295329864 378107859 /nfs/dbraw/zinc/10/78/59/378107859.db2.gz OYUNHLSJBGVNNC-UHFFFAOYSA-N 0 1 298.393 2.464 20 10 CECDMN C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cc(Cl)ccc1[O-] ZINC000527951504 379854358 /nfs/dbraw/zinc/85/43/58/379854358.db2.gz BSVLTYWCFHDANH-CUOATXAZSA-N 0 1 285.771 2.236 20 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CC[C@H](NCc1nnc2n1CCC2)c1ccc(C)cc1O ZINC000280274379 522673112 /nfs/dbraw/zinc/67/31/12/522673112.db2.gz YBQXWSZLMSXMTD-ZDUSSCGKSA-N 0 1 286.379 2.479 20 10 CECDMN CC[C@H](C)NC(=O)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000083551982 523968170 /nfs/dbraw/zinc/96/81/70/523968170.db2.gz DKPHZZXMCVVOBC-JTQLQIEISA-N 0 1 284.787 2.440 20 10 CECDMN COc1ccncc1CNCc1ccc(N(C)C)cc1 ZINC000292619699 524857640 /nfs/dbraw/zinc/85/76/40/524857640.db2.gz IRJMREQLFCIZMC-UHFFFAOYSA-N 0 1 271.364 2.446 20 10 CECDMN NC(=O)C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000293207816 526907903 /nfs/dbraw/zinc/90/79/03/526907903.db2.gz YCZZNTRUDBZEIT-INIZCTEOSA-N 0 1 296.370 2.328 20 10 CECDMN NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000738440625 574863504 /nfs/dbraw/zinc/86/35/04/574863504.db2.gz WIDGGXFAZGALBO-NXEZZACHSA-N 0 1 282.771 2.179 20 10 CECDMN Cc1cc(O)c(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1C ZINC000740089388 574941600 /nfs/dbraw/zinc/94/16/00/574941600.db2.gz SFXZXOCTAJWMBI-TZMCWYRMSA-N 0 1 292.379 2.487 20 10 CECDMN CCOc1cccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1O ZINC000086757578 598151305 /nfs/dbraw/zinc/15/13/05/598151305.db2.gz VYWZLFDUOPPILO-GFCCVEGCSA-N 0 1 293.363 2.478 20 10 CECDMN COc1ccc(O)c(C[N@@H+](CC(=O)[O-])C2CCCC2)c1 ZINC000086749482 605246164 /nfs/dbraw/zinc/24/61/64/605246164.db2.gz QXLSRKHOICLJIK-UHFFFAOYSA-N 0 1 279.336 2.230 20 10 CECDMN C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccccc1O ZINC000176673367 624532492 /nfs/dbraw/zinc/53/24/92/624532492.db2.gz JTHDASFCMNZKMF-ZDUSSCGKSA-N 0 1 284.359 2.441 20 10 CECDMN C[C@@H](c1ccccc1)N(CC(N)=O)Cc1ccccc1O ZINC000176673367 624532494 /nfs/dbraw/zinc/53/24/94/624532494.db2.gz JTHDASFCMNZKMF-ZDUSSCGKSA-N 0 1 284.359 2.441 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c(Cl)c1 ZINC000840901628 628247707 /nfs/dbraw/zinc/24/77/07/628247707.db2.gz GWYZATYCCNBQNQ-SNVBAGLBSA-N 0 1 294.782 2.207 20 10 CECDMN COC1(C[NH2+]Cc2c([O-])cccc2Cl)CCOCC1 ZINC000123148827 628359754 /nfs/dbraw/zinc/35/97/54/628359754.db2.gz DIUCVRGAUBTODD-UHFFFAOYSA-N 0 1 285.771 2.331 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c(Cl)c1 ZINC000840938868 628757515 /nfs/dbraw/zinc/75/75/15/628757515.db2.gz IQSIDJAVXMMKCB-IINYFYTJSA-N 0 1 267.756 2.168 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c(Cl)c1 ZINC000840938868 628757520 /nfs/dbraw/zinc/75/75/20/628757520.db2.gz IQSIDJAVXMMKCB-IINYFYTJSA-N 0 1 267.756 2.168 20 10 CECDMN C[C@H](N[C@H]1CNOC1)c1ccc(N2CCCCC2)cc1 ZINC000925870480 628969887 /nfs/dbraw/zinc/96/98/87/628969887.db2.gz UJXWELIXLLABSV-ZFWWWQNUSA-N 0 1 275.396 2.231 20 10 CECDMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000893867256 629021711 /nfs/dbraw/zinc/02/17/11/629021711.db2.gz TWRFHKGCBDTIIE-SNVBAGLBSA-N 0 1 299.317 2.446 20 10 CECDMN C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1cc(F)cc(F)c1O ZINC000894039688 629097758 /nfs/dbraw/zinc/09/77/58/629097758.db2.gz LMFGNKMLKNNIBK-IXGDSRDXSA-N 0 1 289.347 2.012 20 10 CECDMN CCn1ncnc1CN[C@H](C)c1cc(C)ccc1O ZINC000794840307 629332989 /nfs/dbraw/zinc/33/29/89/629332989.db2.gz IGJVUSMTZQPBFW-LLVKDONJSA-N 0 1 260.341 2.163 20 10 CECDMN C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1C(=O)[O-] ZINC000311402403 629437399 /nfs/dbraw/zinc/43/73/99/629437399.db2.gz VOGLVGPFZYPHDD-CABZTGNLSA-N 0 1 267.300 2.074 20 10 CECDMN COc1cc(N(C)Cc2cnc[nH]2)cc(OC)c1OC ZINC000894429846 629456353 /nfs/dbraw/zinc/45/63/53/629456353.db2.gz PSWWYBYYTKFQNN-UHFFFAOYSA-N 0 1 277.324 2.072 20 10 CECDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000895033815 629807070 /nfs/dbraw/zinc/80/70/70/629807070.db2.gz KLMSAFJZYVNVNK-KCJUWKMLSA-N 0 1 257.280 2.016 20 10 CECDMN C[N@H+]1C[C@@H]2CCCN(Cc3cc(F)cc(F)c3[O-])[C@@H]2C1 ZINC000895055699 629828977 /nfs/dbraw/zinc/82/89/77/629828977.db2.gz VRQFTTHZWWYROZ-IINYFYTJSA-N 0 1 282.334 2.196 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)cc1Cl ZINC000895750191 630329172 /nfs/dbraw/zinc/32/91/72/630329172.db2.gz XXDXXFZQFZSNLU-OLZOCXBDSA-N 0 1 299.798 2.374 20 10 CECDMN Cc1ccc(CN2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)c(O)c1 ZINC000895923592 630404914 /nfs/dbraw/zinc/40/49/14/630404914.db2.gz WZKKJAPNBFMTAW-YNEHKIRRSA-N 0 1 276.380 2.140 20 10 CECDMN Cc1ccc(O)c(CNc2nc(C)cc(N(C)C)n2)c1 ZINC000800723916 631142034 /nfs/dbraw/zinc/14/20/34/631142034.db2.gz WBGOMDFLMMYYGF-UHFFFAOYSA-N 0 1 272.352 2.477 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](CO)C2)cc1Cl ZINC000897355292 631169897 /nfs/dbraw/zinc/16/98/97/631169897.db2.gz LXILXOFRHGGYFI-HOMQSWHASA-N 0 1 255.745 2.215 20 10 CECDMN CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000801734835 631313105 /nfs/dbraw/zinc/31/31/05/631313105.db2.gz KSQYYTAOKLIAFB-GFCCVEGCSA-N 0 1 282.771 2.192 20 10 CECDMN Cc1cccc(CN2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000897558428 631780187 /nfs/dbraw/zinc/78/01/87/631780187.db2.gz HYYVTOKJFDAUQY-OAHLLOKOSA-N 0 1 287.363 2.008 20 10 CECDMN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CCCCN2)c1[O-] ZINC000841033764 631832351 /nfs/dbraw/zinc/83/23/51/631832351.db2.gz ZGQVUHPQLATVQP-LLVKDONJSA-N 0 1 299.758 2.186 20 10 CECDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ncccn1 ZINC000807837309 631874801 /nfs/dbraw/zinc/87/48/01/631874801.db2.gz LBJDEIDHWVATRM-UHFFFAOYSA-N 0 1 298.129 2.419 20 10 CECDMN C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000814173732 632799105 /nfs/dbraw/zinc/79/91/05/632799105.db2.gz PDIKVPZTVMTXSL-ZANVPECISA-N 0 1 284.762 2.321 20 10 CECDMN CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000814173732 632799112 /nfs/dbraw/zinc/79/91/12/632799112.db2.gz PDIKVPZTVMTXSL-ZANVPECISA-N 0 1 284.762 2.321 20 10 CECDMN CN1C[C@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000814173732 632799116 /nfs/dbraw/zinc/79/91/16/632799116.db2.gz PDIKVPZTVMTXSL-ZANVPECISA-N 0 1 284.762 2.321 20 10 CECDMN Cc1cc(C)c([C@H](C)NCc2nnnn2C2CC2)c(O)c1 ZINC000815595513 633036088 /nfs/dbraw/zinc/03/60/88/633036088.db2.gz TVVHXOCZGKFOHL-NSHDSACASA-N 0 1 287.367 2.181 20 10 CECDMN CC(=O)NCCC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816532168 633408482 /nfs/dbraw/zinc/40/84/82/633408482.db2.gz UFRREKWYZKSCTI-UHFFFAOYSA-N 0 1 272.348 2.161 20 10 CECDMN CCn1ncnc1CNCc1ccc2ccccc2c1O ZINC000816596936 633419864 /nfs/dbraw/zinc/41/98/64/633419864.db2.gz XRLQAFISEJSGBS-UHFFFAOYSA-N 0 1 282.347 2.447 20 10 CECDMN C[C@H]1C[C@H](CO)C[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000817412438 633650343 /nfs/dbraw/zinc/65/03/43/633650343.db2.gz LIMMRGKHNSLBEV-QWRGUYRKSA-N 0 1 269.772 2.496 20 10 CECDMN CC(=O)N[C@@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000817414311 633652846 /nfs/dbraw/zinc/65/28/46/633652846.db2.gz FIGXJLWSZXEWPN-LLVKDONJSA-N 0 1 282.771 2.064 20 10 CECDMN CC(=O)N[C@@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000817414311 633652847 /nfs/dbraw/zinc/65/28/47/633652847.db2.gz FIGXJLWSZXEWPN-LLVKDONJSA-N 0 1 282.771 2.064 20 10 CECDMN CC(=O)N[C@@H]1CCN(Cc2c(O)cc(C)cc2Cl)C1 ZINC000817414311 633652854 /nfs/dbraw/zinc/65/28/54/633652854.db2.gz FIGXJLWSZXEWPN-LLVKDONJSA-N 0 1 282.771 2.064 20 10 CECDMN CC(=O)N[C@H]1CC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000817414315 633653371 /nfs/dbraw/zinc/65/33/71/633653371.db2.gz FIGXJLWSZXEWPN-NSHDSACASA-N 0 1 282.771 2.064 20 10 CECDMN CC(=O)N[C@H]1CC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000817414315 633653377 /nfs/dbraw/zinc/65/33/77/633653377.db2.gz FIGXJLWSZXEWPN-NSHDSACASA-N 0 1 282.771 2.064 20 10 CECDMN CC(=O)N[C@H]1CCN(Cc2c(O)cc(C)cc2Cl)C1 ZINC000817414315 633653381 /nfs/dbraw/zinc/65/33/81/633653381.db2.gz FIGXJLWSZXEWPN-NSHDSACASA-N 0 1 282.771 2.064 20 10 CECDMN CC(=O)N[C@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000817415708 633655212 /nfs/dbraw/zinc/65/52/12/633655212.db2.gz XBYWZJIOELJOEF-HNNXBMFYSA-N 0 1 284.359 2.256 20 10 CECDMN CC(=O)N[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000817415708 633655217 /nfs/dbraw/zinc/65/52/17/633655217.db2.gz XBYWZJIOELJOEF-HNNXBMFYSA-N 0 1 284.359 2.256 20 10 CECDMN C[C@H](N)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817971295 633812958 /nfs/dbraw/zinc/81/29/58/633812958.db2.gz CATFFRHOYNMZMH-BQBZGAKWSA-N 0 1 291.164 2.292 20 10 CECDMN C[C@H](N)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817973452 633817021 /nfs/dbraw/zinc/81/70/21/633817021.db2.gz UCMPBEUIHOOPHI-BQBZGAKWSA-N 0 1 291.164 2.292 20 10 CECDMN COCC[NH+](CCOC)Cc1cc(Cl)c(C)cc1[O-] ZINC000824484576 635435379 /nfs/dbraw/zinc/43/53/79/635435379.db2.gz MODJZPPBGXVAMM-UHFFFAOYSA-N 0 1 287.787 2.449 20 10 CECDMN COc1ccc(O)c([C@@H](C)NCc2ccnc(OC)n2)c1 ZINC000824548918 635448989 /nfs/dbraw/zinc/44/89/89/635448989.db2.gz QGXUGEHKLWWHLA-SNVBAGLBSA-N 0 1 289.335 2.050 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)C(F)(F)F)cc1Cl ZINC000825130886 635576052 /nfs/dbraw/zinc/57/60/52/635576052.db2.gz HNNDTXGYMDRNQK-JTQLQIEISA-N 0 1 283.677 2.367 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1Cl ZINC000825298166 635607890 /nfs/dbraw/zinc/60/78/90/635607890.db2.gz VQDKMHSGNGHFGU-LLVKDONJSA-N 0 1 282.771 2.064 20 10 CECDMN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825384891 635628802 /nfs/dbraw/zinc/62/88/02/635628802.db2.gz LIBKUUGZPQZSGF-AAEUAGOBSA-N 0 1 296.798 2.358 20 10 CECDMN COc1cccc(CNCc2nccn2C(C)C)c1O ZINC000825916276 635731110 /nfs/dbraw/zinc/73/11/10/635731110.db2.gz MGJPMAXZHVAJHD-UHFFFAOYSA-N 0 1 275.352 2.468 20 10 CECDMN CCc1cccc(CN[C@H]2C[C@@H](C)n3ncnc32)c1O ZINC000826889523 635873456 /nfs/dbraw/zinc/87/34/56/635873456.db2.gz WBSOIQGMPWFMJJ-MFKMUULPSA-N 0 1 272.352 2.342 20 10 CECDMN C[C@@H](NCc1cn(C2CC2)nn1)c1ccccc1O ZINC000906323003 636702476 /nfs/dbraw/zinc/70/24/76/636702476.db2.gz NLURNTUSALWPTE-SNVBAGLBSA-N 0 1 258.325 2.169 20 10 CECDMN CCCCN(Cc1ccccc1O)C[C@@H](C)S(C)(=O)=O ZINC000829516038 636873341 /nfs/dbraw/zinc/87/33/41/636873341.db2.gz NWQXABANFLXEIE-CYBMUJFWSA-N 0 1 299.436 2.427 20 10 CECDMN CCC[N@H+](CC)C[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000832274380 637531268 /nfs/dbraw/zinc/53/12/68/637531268.db2.gz ZHCIQDASRBHPLL-JTQLQIEISA-N 0 1 298.358 2.087 20 10 CECDMN CCC[N@@H+](CC)C[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000832274380 637531281 /nfs/dbraw/zinc/53/12/81/637531281.db2.gz ZHCIQDASRBHPLL-JTQLQIEISA-N 0 1 298.358 2.087 20 10 CECDMN CN(C)c1ccc(/C=C/CN2CC[C@@](O)(C(F)F)C2)cc1 ZINC000835053106 638040634 /nfs/dbraw/zinc/04/06/34/638040634.db2.gz BCQIUEOFUJYESF-CWDCEQMOSA-N 0 1 296.361 2.468 20 10 CECDMN COC(=O)C[C@H]1CCC[N@H+]1Cc1c(C)cccc1O ZINC000876764248 650424776 /nfs/dbraw/zinc/42/47/76/650424776.db2.gz MGILTILKGMZRIH-GFCCVEGCSA-N 0 1 263.337 2.228 20 10 CECDMN COc1ccc(N2CCN(CCc3ccccn3)CC2)cc1 ZINC000057848000 639467190 /nfs/dbraw/zinc/46/71/90/639467190.db2.gz WNVUUYVYBXCQEW-UHFFFAOYSA-N 0 1 297.402 2.455 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(C)C2)c(Cl)c1 ZINC000840891759 639574243 /nfs/dbraw/zinc/57/42/43/639574243.db2.gz CWIVWXQQEYNRDM-SNVBAGLBSA-N 0 1 254.761 2.148 20 10 CECDMN CN(C)c1ccc(C[N@@H+](C)CC(=O)[O-])c(C(F)(F)F)c1 ZINC000840995151 639610964 /nfs/dbraw/zinc/61/09/64/639610964.db2.gz PQOFZPGAMAUBJY-UHFFFAOYSA-N 0 1 290.285 2.288 20 10 CECDMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccccc1O ZINC000229240190 639685555 /nfs/dbraw/zinc/68/55/55/639685555.db2.gz WMYDXHOLOBUQMB-QKCSRTOESA-N 0 1 261.321 2.077 20 10 CECDMN C[C@H]1CC[N@H+](Cc2cccc(F)c2O)C[C@@H]1C(=O)[O-] ZINC000843039083 640246153 /nfs/dbraw/zinc/24/61/53/640246153.db2.gz AHMVCPMIVRPQJL-ONGXEEELSA-N 0 1 267.300 2.074 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C[C@@H]1C(=O)[O-] ZINC000843039083 640246160 /nfs/dbraw/zinc/24/61/60/640246160.db2.gz AHMVCPMIVRPQJL-ONGXEEELSA-N 0 1 267.300 2.074 20 10 CECDMN C[NH2+]C[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000843045247 640251264 /nfs/dbraw/zinc/25/12/64/640251264.db2.gz SNGYTCRIZDQYJS-LLVKDONJSA-N 0 1 268.788 2.477 20 10 CECDMN C[C@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@@H]1[NH3+] ZINC000843052026 640255362 /nfs/dbraw/zinc/25/53/62/640255362.db2.gz OROTUMJYBITVGJ-CABZTGNLSA-N 0 1 254.761 2.215 20 10 CECDMN C[C@H]1C[C@@H](C[NH3+])CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000843056880 640259975 /nfs/dbraw/zinc/25/99/75/640259975.db2.gz BIJRZTCMVKMMQT-IUCAKERBSA-N 0 1 272.751 2.354 20 10 CECDMN Cc1cccc(CN2CC(C)(C)O[C@@H]3COC[C@H]32)c1O ZINC000846117773 641191102 /nfs/dbraw/zinc/19/11/02/641191102.db2.gz GQOFULKHIWEQRE-ZIAGYGMSSA-N 0 1 277.364 2.079 20 10 CECDMN CCc1nnc([C@H](C)N[C@@H](C)c2cccc(OC)c2O)[nH]1 ZINC000846157387 641206567 /nfs/dbraw/zinc/20/65/67/641206567.db2.gz MEMZANKEZUTMHL-UWVGGRQHSA-N 0 1 290.367 2.493 20 10 CECDMN C[C@H]([NH2+]CCN1CCCC1=O)c1ccc(Cl)cc1[O-] ZINC000846206913 641222125 /nfs/dbraw/zinc/22/21/25/641222125.db2.gz VSKBRBYDWIONNT-JTQLQIEISA-N 0 1 282.771 2.319 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c1O ZINC000846273503 641252089 /nfs/dbraw/zinc/25/20/89/641252089.db2.gz YFZPWDSABRNNFY-HNNXBMFYSA-N 0 1 295.310 2.173 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)[C@@H](C(=O)[O-])C1 ZINC000846279448 641255940 /nfs/dbraw/zinc/25/59/40/641255940.db2.gz AFEAYCMOYVVALN-SWLSCSKDSA-N 0 1 276.380 2.438 20 10 CECDMN C[C@@H]1C[C@H]([NH3+])CCN1Cc1cccc(Cl)c1[O-] ZINC000846705017 641403015 /nfs/dbraw/zinc/40/30/15/641403015.db2.gz 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CECDMN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000840974652 639606309 /nfs/dbraw/zinc/60/63/09/639606309.db2.gz DMZZFZCQPCVFPF-HNNXBMFYSA-N 0 1 281.327 2.306 20 10 CECDMN CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000228931460 639665877 /nfs/dbraw/zinc/66/58/77/639665877.db2.gz LCFQJINNMZVEJG-VIFPVBQESA-N 0 1 270.760 2.048 20 10 CECDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1O ZINC000229119170 639677360 /nfs/dbraw/zinc/67/73/60/639677360.db2.gz DCSFJFXEPGBOJS-CQSZACIVSA-N 0 1 299.754 2.493 20 10 CECDMN C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(Cl)cc1[O-] ZINC000841754638 639859130 /nfs/dbraw/zinc/85/91/30/639859130.db2.gz UGEYFGPUTSDYCF-VIFPVBQESA-N 0 1 282.771 2.222 20 10 CECDMN COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841763235 639860287 /nfs/dbraw/zinc/86/02/87/639860287.db2.gz LMLHXGIXEALYMC-HZMBPMFUSA-N 0 1 287.787 2.484 20 10 CECDMN C[NH2+]C[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000843053304 640256039 /nfs/dbraw/zinc/25/60/39/640256039.db2.gz 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298.390 2.203 20 10 CECDMN CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000759174910 644992585 /nfs/dbraw/zinc/99/25/85/644992585.db2.gz ZTDFIXSNHLWKOU-JSGCOSHPSA-N 0 1 285.771 2.329 20 10 CECDMN C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(Cl)cc1[O-] ZINC000858435819 645158583 /nfs/dbraw/zinc/15/85/83/645158583.db2.gz UMFDFNHPJRQPII-JOYOIKCWSA-N 0 1 295.770 2.163 20 10 CECDMN CC1(C)CN(C(=O)C2CC2)CCN1Cc1ccccc1O ZINC000761226853 645259052 /nfs/dbraw/zinc/25/90/52/645259052.db2.gz WCIWIBYZFFNMIQ-UHFFFAOYSA-N 0 1 288.391 2.225 20 10 CECDMN C[N@@H+](Cc1cccc(Br)c1[O-])C1CC(O)C1 ZINC000761223343 645259137 /nfs/dbraw/zinc/25/91/37/645259137.db2.gz POYXSZRGUHKCQK-UHFFFAOYSA-N 0 1 286.169 2.110 20 10 CECDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccccc1O ZINC000764071120 645607159 /nfs/dbraw/zinc/60/71/59/645607159.db2.gz SWNINKZALFCGAX-UHFFFAOYSA-N 0 1 273.336 2.477 20 10 CECDMN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC(C)C ZINC000768438536 646122821 /nfs/dbraw/zinc/12/28/21/646122821.db2.gz 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ZINC000183847766 395265049 /nfs/dbraw/zinc/26/50/49/395265049.db2.gz ZDDSEGMPELQJAR-GFCCVEGCSA-N 0 1 286.379 2.479 20 10 CECDMN CC(C)N(CC(=O)N(C)C)Cc1ccc(N(C)C)cc1 ZINC000298699881 395363610 /nfs/dbraw/zinc/36/36/10/395363610.db2.gz GTYPQZYJKQZYMO-UHFFFAOYSA-N 0 1 277.412 2.051 20 10 CECDMN C[C@@H](CCO)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000164931784 261361499 /nfs/dbraw/zinc/36/14/99/261361499.db2.gz KJZZOGKYUOAHSF-VIFPVBQESA-N 0 1 288.185 2.263 20 10 CECDMN CC(C)C(=O)NCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000184869200 262031560 /nfs/dbraw/zinc/03/15/60/262031560.db2.gz CBSAUMPJBPXHHQ-JTQLQIEISA-N 0 1 284.787 2.468 20 10 CECDMN COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185467045 262056271 /nfs/dbraw/zinc/05/62/71/262056271.db2.gz OLPUSRFJLRVBQW-YGRLFVJLSA-N 0 1 287.787 2.484 20 10 CECDMN CCOC(=O)[C@@H](F)C1CN(Cc2cc(C)ccc2O)C1 ZINC000293510845 264966483 /nfs/dbraw/zinc/96/64/83/264966483.db2.gz ABQRJUDZDDQHSG-AWEZNQCLSA-N 0 1 281.327 2.034 20 10 CECDMN Oc1ccc(F)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000180240149 329218786 /nfs/dbraw/zinc/21/87/86/329218786.db2.gz CGMWJCNNLMQWDB-CQSZACIVSA-N 0 1 251.301 2.144 20 10 CECDMN COc1c([O-])c(C[N@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278330414 521869177 /nfs/dbraw/zinc/86/91/77/521869177.db2.gz ZEKQTCHZOMHGMA-SECBINFHSA-N 0 1 266.297 2.151 20 10 CECDMN COCCN(Cc1cccnc1)Cc1ccccc1O ZINC000289445795 523760492 /nfs/dbraw/zinc/76/04/92/523760492.db2.gz MNUNPNDGGPWCPH-UHFFFAOYSA-N 0 1 272.348 2.436 20 10 CECDMN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCCN2C)cc1 ZINC000731864095 574604138 /nfs/dbraw/zinc/60/41/38/574604138.db2.gz KVOWDRYHCHIXGG-MRXNPFEDSA-N 0 1 289.423 2.195 20 10 CECDMN COCCOC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000742376678 575018173 /nfs/dbraw/zinc/01/81/73/575018173.db2.gz BPKWMARREZHHRA-SNVBAGLBSA-N 0 1 273.760 2.187 20 10 CECDMN Cc1cc(C(=O)NCc2cnc[nH]2)c(C)n1-c1ccccn1 ZINC000748322115 575183047 /nfs/dbraw/zinc/18/30/47/575183047.db2.gz KUBTYMPCKONUIX-UHFFFAOYSA-N 0 1 295.346 2.142 20 10 CECDMN Cc1cc(O)c(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1C ZINC000832900347 601892675 /nfs/dbraw/zinc/89/26/75/601892675.db2.gz ZBNLDOSHDOCLRP-HNNXBMFYSA-N 0 1 263.337 2.306 20 10 CECDMN CC(C)C[N@H+](CCC(=O)[O-])Cc1cccc(F)c1O ZINC000833486811 605478768 /nfs/dbraw/zinc/47/87/68/605478768.db2.gz RRLRXYNUBDICLL-UHFFFAOYSA-N 0 1 269.316 2.464 20 10 CECDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1cccc(F)c1O ZINC000833486811 605478772 /nfs/dbraw/zinc/47/87/72/605478772.db2.gz RRLRXYNUBDICLL-UHFFFAOYSA-N 0 1 269.316 2.464 20 10 CECDMN C[C@@H](C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1)C(=O)[O-] ZINC000833515952 605750772 /nfs/dbraw/zinc/75/07/72/605750772.db2.gz BRFWMBJQHNKNSC-LBPRGKRZSA-N 0 1 276.380 2.438 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)C[NH3+])c1[O-] ZINC000843350361 622942806 /nfs/dbraw/zinc/94/28/06/622942806.db2.gz NEIYURLLPSRAIR-QMMMGPOBSA-N 0 1 270.760 2.027 20 10 CECDMN COc1ccc(C[N@@H+](C)CC2CCOCC2)c(O)c1OC ZINC000892003129 624243108 /nfs/dbraw/zinc/24/31/08/624243108.db2.gz DAPMTULLJIFKPJ-UHFFFAOYSA-N 0 1 295.379 2.268 20 10 CECDMN Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)c(O)c1O ZINC000182913736 628171985 /nfs/dbraw/zinc/17/19/85/628171985.db2.gz LEGKQCZLDHJWFJ-UHFFFAOYSA-N 0 1 284.271 2.236 20 10 CECDMN CC(=O)N1CCN(Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840918599 628502710 /nfs/dbraw/zinc/50/27/10/628502710.db2.gz WPBKPSXKEPMMQE-AWEZNQCLSA-N 0 1 289.423 2.114 20 10 CECDMN C[C@H](O)[C@H]1CN(Cc2ccc3ccccc3c2O)CCO1 ZINC000840979942 628988515 /nfs/dbraw/zinc/98/85/15/628988515.db2.gz VQBWKIWJTCYZLJ-BLLLJJGKSA-N 0 1 287.359 2.127 20 10 CECDMN Cc1nnc([C@H](C)NCc2cc(C)c(C)cc2O)[nH]1 ZINC000894772150 629626483 /nfs/dbraw/zinc/62/64/83/629626483.db2.gz GJMSVAQHCRELGO-JTQLQIEISA-N 0 1 260.341 2.286 20 10 CECDMN CC(C)[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1CCC(=O)N1 ZINC000895015849 629798182 /nfs/dbraw/zinc/79/81/82/629798182.db2.gz ZWNLBLOVMVGAKY-GFCCVEGCSA-N 0 1 298.333 2.159 20 10 CECDMN CCc1cccc(CN2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c1O ZINC000895123761 629926612 /nfs/dbraw/zinc/92/66/12/629926612.db2.gz ZCHTXGGXVAKGFY-SDDRHHMPSA-N 0 1 276.380 2.052 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1CO ZINC000895380532 630147301 /nfs/dbraw/zinc/14/73/01/630147301.db2.gz ZGHYPYHGHLVFFM-KOLCDFICSA-N 0 1 271.307 2.121 20 10 CECDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1CCCC[C@H]1O ZINC000895438845 630190469 /nfs/dbraw/zinc/19/04/69/630190469.db2.gz NKBZHOOVIHFLHJ-VXGBXAGGSA-N 0 1 271.307 2.406 20 10 CECDMN COC(OC)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000895790602 630346283 /nfs/dbraw/zinc/34/62/83/630346283.db2.gz SWSHEVBDCQCBIP-SECBINFHSA-N 0 1 273.760 2.451 20 10 CECDMN Cc1nc([C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)no1 ZINC000896232066 630504193 /nfs/dbraw/zinc/50/41/93/630504193.db2.gz WAYFBVOBXKLWIK-SECBINFHSA-N 0 1 295.289 2.351 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CC[C@H]2CC(=O)N(C)C2)cc1Cl ZINC000896304861 630523645 /nfs/dbraw/zinc/52/36/45/630523645.db2.gz KUQJTZKGTAXTOG-NSHDSACASA-N 0 1 296.798 2.312 20 10 CECDMN O=C1C[C@H](CC[NH2+]Cc2ccc3ccccc3c2[O-])CN1 ZINC000896897828 630768229 /nfs/dbraw/zinc/76/82/29/630768229.db2.gz WJHFAOUQHOOKAU-LBPRGKRZSA-N 0 1 284.359 2.161 20 10 CECDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726138 635485681 /nfs/dbraw/zinc/48/56/81/635485681.db2.gz GHHQKXMEABFOBT-GFCCVEGCSA-N 0 1 295.688 2.387 20 10 CECDMN CC[C@H](NCc1cnn(C)n1)c1ccc(C)cc1O ZINC000806168657 631723208 /nfs/dbraw/zinc/72/32/08/631723208.db2.gz WFMWWJCPOLNNPV-ZDUSSCGKSA-N 0 1 260.341 2.070 20 10 CECDMN CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809768254 632143743 /nfs/dbraw/zinc/14/37/43/632143743.db2.gz GJGVYTODHPIWAS-ZDUSSCGKSA-N 0 1 287.787 2.263 20 10 CECDMN CC(C)OC[C@H](CO)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809768254 632143746 /nfs/dbraw/zinc/14/37/46/632143746.db2.gz GJGVYTODHPIWAS-ZDUSSCGKSA-N 0 1 287.787 2.263 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CO)C(C)C)c1[O-] ZINC000810075421 632176659 /nfs/dbraw/zinc/17/66/59/632176659.db2.gz LDDVRRVNRXVCGL-HNNXBMFYSA-N 0 1 283.343 2.231 20 10 CECDMN C[C@@H]([NH2+]C1COCCOC1)c1cc(Cl)ccc1[O-] ZINC000813878583 632751732 /nfs/dbraw/zinc/75/17/32/632751732.db2.gz CFVOIKCTVOKSJW-SECBINFHSA-N 0 1 271.744 2.112 20 10 CECDMN CO[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1OC ZINC000816591334 633418721 /nfs/dbraw/zinc/41/87/21/633418721.db2.gz BPBQZBVYFMLLLA-BETUJISGSA-N 0 1 289.734 2.030 20 10 CECDMN Oc1ccc(Cl)cc1CN1CC2(C1)CCOC2 ZINC000816670901 633461227 /nfs/dbraw/zinc/46/12/27/633461227.db2.gz IPPJXUVLNCRUAU-UHFFFAOYSA-N 0 1 253.729 2.268 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH+]1CC2(C1)CCOC2 ZINC000816670901 633461231 /nfs/dbraw/zinc/46/12/31/633461231.db2.gz IPPJXUVLNCRUAU-UHFFFAOYSA-N 0 1 253.729 2.268 20 10 CECDMN CCCN1C[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])CC1=O ZINC000817410859 633650807 /nfs/dbraw/zinc/65/08/07/633650807.db2.gz IVDNXSLJQUGUQU-NSHDSACASA-N 0 1 296.798 2.394 20 10 CECDMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000817415506 633655182 /nfs/dbraw/zinc/65/51/82/633655182.db2.gz XYRHDMCTJDDMMK-MWLCHTKSSA-N 0 1 255.745 2.391 20 10 CECDMN C[C@@H](N[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817945272 633792109 /nfs/dbraw/zinc/79/21/09/633792109.db2.gz YSIHXDKKYWHDAB-BDAKNGLRSA-N 0 1 274.286 2.424 20 10 CECDMN C[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(Cl)cc1[O-] ZINC000903317822 635064927 /nfs/dbraw/zinc/06/49/27/635064927.db2.gz VHUGYORTPYMBSP-ONGXEEELSA-N 0 1 254.761 2.400 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000824474769 635434292 /nfs/dbraw/zinc/43/42/92/635434292.db2.gz SFNMZSLUWNRBHF-SNVBAGLBSA-N 0 1 282.771 2.051 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000824474769 635434295 /nfs/dbraw/zinc/43/42/95/635434295.db2.gz SFNMZSLUWNRBHF-SNVBAGLBSA-N 0 1 282.771 2.051 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCCn2cncn2)cc1Cl ZINC000825228323 635595013 /nfs/dbraw/zinc/59/50/13/635595013.db2.gz WAQBTNYBYYCWNX-UHFFFAOYSA-N 0 1 280.759 2.125 20 10 CECDMN COC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825330776 635618224 /nfs/dbraw/zinc/61/82/24/635618224.db2.gz CPWOUORKYCAHSN-CQSZACIVSA-N 0 1 287.787 2.231 20 10 CECDMN CC[C@@H](CO)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000826030049 635742417 /nfs/dbraw/zinc/74/24/17/635742417.db2.gz NNWUVWMPHNOXBR-NSHDSACASA-N 0 1 288.185 2.357 20 10 CECDMN CC[C@@H](CO)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000826030049 635742418 /nfs/dbraw/zinc/74/24/18/635742418.db2.gz NNWUVWMPHNOXBR-NSHDSACASA-N 0 1 288.185 2.357 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCCc2cnn(C)n2)cc1Cl ZINC000826013723 635746306 /nfs/dbraw/zinc/74/63/06/635746306.db2.gz XZAYHIIPCKDZJX-UHFFFAOYSA-N 0 1 294.786 2.205 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C2(C(=O)N(C)C)CC2)cc1Cl ZINC000826121739 635763441 /nfs/dbraw/zinc/76/34/41/635763441.db2.gz UECZXCIRYHDZKA-UHFFFAOYSA-N 0 1 282.771 2.064 20 10 CECDMN CO[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCOC1 ZINC000826821703 635855098 /nfs/dbraw/zinc/85/50/98/635855098.db2.gz BIYCXLQOZCDWPV-ABAIWWIYSA-N 0 1 299.798 2.495 20 10 CECDMN Cc1cccc(CN[C@H]2C[C@@H](C)n3ncnc32)c1O ZINC000826889208 635872543 /nfs/dbraw/zinc/87/25/43/635872543.db2.gz RTFXOTZRKOAFJS-PWSUYJOCSA-N 0 1 258.325 2.088 20 10 CECDMN CCc1cccc(CN[C@H]2C[C@H](C)n3ncnc32)c1O ZINC000826889517 635873031 /nfs/dbraw/zinc/87/30/31/635873031.db2.gz WBSOIQGMPWFMJJ-GWCFXTLKSA-N 0 1 272.352 2.342 20 10 CECDMN CNC(=O)CN(C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827401090 636313783 /nfs/dbraw/zinc/31/37/83/636313783.db2.gz YDELNTCBHDGRPX-UHFFFAOYSA-N 0 1 289.423 2.163 20 10 CECDMN C[N@H+](Cc1c([O-])cccc1Cl)C1(CO)CCC1 ZINC000827903802 636456655 /nfs/dbraw/zinc/45/66/55/636456655.db2.gz PMAMEKWNDMXEII-UHFFFAOYSA-N 0 1 255.745 2.392 20 10 CECDMN C[N@@H+](Cc1c([O-])cccc1Cl)C1(CO)CCC1 ZINC000827903802 636456659 /nfs/dbraw/zinc/45/66/59/636456659.db2.gz PMAMEKWNDMXEII-UHFFFAOYSA-N 0 1 255.745 2.392 20 10 CECDMN C[C@H](NC(=O)CN1CCC(C)CC1)c1ccccc1O ZINC000827972906 636475983 /nfs/dbraw/zinc/47/59/83/636475983.db2.gz CMNRIJJNMKJPEM-ZDUSSCGKSA-N 0 1 276.380 2.301 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CCCO)C2)c1[O-] ZINC000832783672 637670101 /nfs/dbraw/zinc/67/01/01/637670101.db2.gz SVAZVVHIJQKWIX-GFCCVEGCSA-N 0 1 295.354 2.328 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](CCCO)C2)c1[O-] ZINC000832783672 637670105 /nfs/dbraw/zinc/67/01/05/637670105.db2.gz SVAZVVHIJQKWIX-GFCCVEGCSA-N 0 1 295.354 2.328 20 10 CECDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC1(O)CCCC1 ZINC000876747573 650418050 /nfs/dbraw/zinc/41/80/50/650418050.db2.gz HFJQHMDUIOHFOF-UHFFFAOYSA-N 0 1 271.307 2.407 20 10 CECDMN CC(C)CN1CC(=O)N[C@@H]1c1cc(Cl)c(F)cc1O ZINC000840800304 639546342 /nfs/dbraw/zinc/54/63/42/639546342.db2.gz LOHCSSHEIXVQGW-ZDUSSCGKSA-N 0 1 286.734 2.271 20 10 CECDMN Cc1cc([O-])c(C[N@@H+](C)CC2(O)CCOCC2)c(Cl)c1 ZINC000840939486 639593874 /nfs/dbraw/zinc/59/38/74/639593874.db2.gz NXQSODBEASUHEH-UHFFFAOYSA-N 0 1 299.798 2.327 20 10 CECDMN Cc1cc([O-])c(C[N@H+](C)CC2(O)CCOCC2)c(Cl)c1 ZINC000840939486 639593877 /nfs/dbraw/zinc/59/38/77/639593877.db2.gz 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ZINC000706828461 809855712 /nfs/dbraw/zinc/85/57/12/809855712.db2.gz DRZYDMKZYIXXGI-UHFFFAOYSA-N 0 1 274.158 2.015 20 10 CECDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCOC1 ZINC000706834358 809856955 /nfs/dbraw/zinc/85/69/55/809856955.db2.gz ZRPQAGUESAFIJX-MRVPVSSYSA-N 0 1 272.142 2.033 20 10 CECDMN C[C@@H]1[C@H](C)OCCN1Cc1cc(F)cc(F)c1O ZINC000708399234 809928511 /nfs/dbraw/zinc/92/85/11/809928511.db2.gz KIZUTVOZORYKIP-BDAKNGLRSA-N 0 1 257.280 2.280 20 10 CECDMN C[C@H](CCN(C)C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708440677 809930998 /nfs/dbraw/zinc/93/09/98/809930998.db2.gz DVZMJBPZSPZUCZ-SECBINFHSA-N 0 1 258.312 2.100 20 10 CECDMN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172181514 815331548 /nfs/dbraw/zinc/33/15/48/815331548.db2.gz XRONDFUNAXOQEG-LSDHHAIUSA-N 0 1 288.391 2.368 20 10 CECDMN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172181514 815331554 /nfs/dbraw/zinc/33/15/54/815331554.db2.gz XRONDFUNAXOQEG-LSDHHAIUSA-N 0 1 288.391 2.368 20 10 CECDMN C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc2ccccc2c1O ZINC001276373586 810750711 /nfs/dbraw/zinc/75/07/11/810750711.db2.gz GPPQMARHLIBKHG-IYBDPMFKSA-N 0 1 298.386 2.060 20 10 CECDMN C[C@@H]1COC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000829431593 810872062 /nfs/dbraw/zinc/87/20/62/810872062.db2.gz ISZSPOWFXDWUDC-LDYMZIIASA-N 0 1 286.169 2.279 20 10 CECDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)[C@H]1CCOC1 ZINC001139127010 812116079 /nfs/dbraw/zinc/11/60/79/812116079.db2.gz AUJNXJFJVZXFAB-NSHDSACASA-N 0 1 289.331 2.028 20 10 CECDMN Cc1nc([C@H](C)NCc2ccc(N(C)C)cc2)n[nH]1 ZINC000392379253 813301880 /nfs/dbraw/zinc/30/18/80/813301880.db2.gz QREHIZBHSJVCGC-JTQLQIEISA-N 0 1 259.357 2.030 20 10 CECDMN CC(C)[C@H](CO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000394088355 813335716 /nfs/dbraw/zinc/33/57/16/813335716.db2.gz OYGMVJXORIUZCB-JTQLQIEISA-N 0 1 257.761 2.400 20 10 CECDMN CC(C)[C@H]1COCC[N@H+]1Cc1cccc(F)c1[O-] ZINC001138128331 815734770 /nfs/dbraw/zinc/73/47/70/815734770.db2.gz DCNWOZQDCPLVCL-CYBMUJFWSA-N 0 1 253.317 2.388 20 10 CECDMN Cc1c(CN2CCN3C(=O)CC[C@@H]3C2)c2ccccc2n1C ZINC001138258464 815755808 /nfs/dbraw/zinc/75/58/08/815755808.db2.gz SLTGRFINEPGBPG-CQSZACIVSA-N 0 1 297.402 2.293 20 10 CECDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CC(F)(F)C1 ZINC001139126263 815965257 /nfs/dbraw/zinc/96/52/57/815965257.db2.gz CUJPJTCWAAAXIF-UHFFFAOYSA-N 0 1 281.258 2.258 20 10 CECDMN C[C@H]1C[N@@H+](Cc2c([O-])c(F)ccc2F)CC[C@@]1(C)O ZINC001139684673 816081490 /nfs/dbraw/zinc/08/14/90/816081490.db2.gz KKRDOXZTPVOUIR-LKFCYVNXSA-N 0 1 271.307 2.263 20 10 CECDMN C[N@@H+](C1CC1)[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686594 816084402 /nfs/dbraw/zinc/08/44/02/816084402.db2.gz BWQZUZVNGITOBN-NSHDSACASA-N 0 1 282.334 2.339 20 10 CECDMN CO[C@@H]1CN(Cc2c(C)ccc(C)c2O)C[C@@H]1F ZINC001140178511 816204072 /nfs/dbraw/zinc/20/40/72/816204072.db2.gz NEEUPAOQJYWUJZ-QWHCGFSZSA-N 0 1 253.317 2.178 20 10 CECDMN C[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140461147 816258690 /nfs/dbraw/zinc/25/86/90/816258690.db2.gz FKZJPQBGALHBGB-CYBMUJFWSA-N 0 1 255.745 2.250 20 10 CECDMN C[C@@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140461147 816258695 /nfs/dbraw/zinc/25/86/95/816258695.db2.gz FKZJPQBGALHBGB-CYBMUJFWSA-N 0 1 255.745 2.250 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001140462668 816261131 /nfs/dbraw/zinc/26/11/31/816261131.db2.gz LEVLBXJYMQDXNK-PHIMTYICSA-N 0 1 253.729 2.124 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001140462668 816261135 /nfs/dbraw/zinc/26/11/35/816261135.db2.gz LEVLBXJYMQDXNK-PHIMTYICSA-N 0 1 253.729 2.124 20 10 CECDMN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140582972 816291497 /nfs/dbraw/zinc/29/14/97/816291497.db2.gz RMJSMVDEFHGWEJ-NXEZZACHSA-N 0 1 299.317 2.444 20 10 CECDMN COC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cc(F)cc2F)[C@@H]1C ZINC001140583946 816293417 /nfs/dbraw/zinc/29/34/17/816293417.db2.gz ZQKNGUKDZDVGNK-KOLCDFICSA-N 0 1 299.317 2.444 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCCC2(C1)OCCO2 ZINC001140584224 816293501 /nfs/dbraw/zinc/29/35/01/816293501.db2.gz JOJJWENDAXVYIW-UHFFFAOYSA-N 0 1 285.290 2.009 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCCC2(C1)OCCO2 ZINC001140584224 816293504 /nfs/dbraw/zinc/29/35/04/816293504.db2.gz JOJJWENDAXVYIW-UHFFFAOYSA-N 0 1 285.290 2.009 20 10 CECDMN C[N@H+]1CC[C@]2(CCN(Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001140584227 816293668 /nfs/dbraw/zinc/29/36/68/816293668.db2.gz JQXPWIHXLVQJIC-HNNXBMFYSA-N 0 1 282.334 2.198 20 10 CECDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140585459 816294384 /nfs/dbraw/zinc/29/43/84/816294384.db2.gz JGPLTGMHSACRFE-AWEZNQCLSA-N 0 1 285.290 2.055 20 10 CECDMN C[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)C[C@@H]1F ZINC001141139901 816484055 /nfs/dbraw/zinc/48/40/55/816484055.db2.gz DJZMETCBEKYQDR-YPMHNXCESA-N 0 1 264.344 2.305 20 10 CECDMN CC1(CO)C[NH+](Cc2ccc3ccccc3c2[O-])C1 ZINC000839144877 816563500 /nfs/dbraw/zinc/56/35/00/816563500.db2.gz BVMAJNFBAQGSNG-UHFFFAOYSA-N 0 1 257.333 2.360 20 10 CECDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC001142524903 816681533 /nfs/dbraw/zinc/68/15/33/816681533.db2.gz PDDKQXXFKVNVEV-JTQLQIEISA-N 0 1 271.307 2.265 20 10 CECDMN CCC[N@@H+](Cc1ccccc1O)[C@@H](CC)C(=O)[O-] ZINC000191414307 283297264 /nfs/dbraw/zinc/29/72/64/283297264.db2.gz NYDNPOMZOHZKCO-LBPRGKRZSA-N 0 1 251.326 2.467 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)CC[C@H](C)O)c1[O-] ZINC000135821978 366474976 /nfs/dbraw/zinc/47/49/76/366474976.db2.gz XCTPEGDQZXIWKF-VIFPVBQESA-N 0 1 285.771 2.451 20 10 CECDMN COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2O)o1 ZINC000111235934 364724397 /nfs/dbraw/zinc/72/43/97/364724397.db2.gz QUXXJMDCLFAPHM-UHFFFAOYSA-N 0 1 275.304 2.404 20 10 CECDMN O=C1CCCN1CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000113314583 364887362 /nfs/dbraw/zinc/88/73/62/364887362.db2.gz LLAHYAONKOZDBK-UHFFFAOYSA-N 0 1 282.771 2.148 20 10 CECDMN COC(=O)C[C@@H]1CSCCN1Cc1cc(F)ccc1O ZINC000180191148 368371979 /nfs/dbraw/zinc/37/19/79/368371979.db2.gz MCMCWNDOCSUJJZ-GFCCVEGCSA-N 0 1 299.367 2.012 20 10 CECDMN Cc1cc(Cl)cc(CN2CCC[C@H]2C(=O)N(C)C)c1O ZINC000179637777 368345825 /nfs/dbraw/zinc/34/58/25/368345825.db2.gz KISJMOUQZHSGOR-ZDUSSCGKSA-N 0 1 296.798 2.407 20 10 CECDMN COc1ccc(O)c(C[N@@H+]2CCC[C@H](OC)C2)c1 ZINC000179749711 368350519 /nfs/dbraw/zinc/35/05/19/368350519.db2.gz HLNDBLJIVRGLST-ZDUSSCGKSA-N 0 1 251.326 2.012 20 10 CECDMN Cc1ccc(O)c(CN2CCNC(=O)[C@@H]2CC(C)C)c1 ZINC000188920549 369428908 /nfs/dbraw/zinc/42/89/08/369428908.db2.gz AIEAFWDBHUDISF-AWEZNQCLSA-N 0 1 276.380 2.047 20 10 CECDMN C[C@@H]1CN(Cc2cc(F)ccc2O)CC2(CCOCC2)O1 ZINC000366732920 373115163 /nfs/dbraw/zinc/11/51/63/373115163.db2.gz YIYCFMMUBYVGCB-GFCCVEGCSA-N 0 1 295.354 2.301 20 10 CECDMN CC[C@@H](NCc1nnc2n1CCC2)c1ccccc1O ZINC000271710368 373197121 /nfs/dbraw/zinc/19/71/21/373197121.db2.gz OGRSJQWURRJHPC-GFCCVEGCSA-N 0 1 272.352 2.171 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)C(C)(C)O)c1[O-] ZINC000272431827 373482489 /nfs/dbraw/zinc/48/24/89/373482489.db2.gz AKCUBUQRBIHNHM-UHFFFAOYSA-N 0 1 283.343 2.373 20 10 CECDMN CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273424983 373758060 /nfs/dbraw/zinc/75/80/60/373758060.db2.gz TVQFBAYAOHWKTA-RYUDHWBXSA-N 0 1 293.367 2.293 20 10 CECDMN C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000273464219 373759464 /nfs/dbraw/zinc/75/94/64/373759464.db2.gz DIAOWOVZGVCLMI-XPTSAGLGSA-N 0 1 295.770 2.163 20 10 CECDMN CC[C@@H](C)N(CC(=O)OC)Cc1ccccc1O ZINC000281402561 375376375 /nfs/dbraw/zinc/37/63/75/375376375.db2.gz XRCBALWLMNVJPF-LLVKDONJSA-N 0 1 251.326 2.166 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000289114439 376387527 /nfs/dbraw/zinc/38/75/27/376387527.db2.gz DBAJXWYBXIQGFO-OAHLLOKOSA-N 0 1 297.782 2.427 20 10 CECDMN Cc1cccc(CNCc2nnc(C(C)C)[nH]2)c1O ZINC000294907600 378028424 /nfs/dbraw/zinc/02/84/24/378028424.db2.gz XWDQOOLBWKSFOP-UHFFFAOYSA-N 0 1 260.341 2.232 20 10 CECDMN COc1c([O-])c(C[N@@H+]2CC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000294962956 378032751 /nfs/dbraw/zinc/03/27/51/378032751.db2.gz FAKAKJBXKKZBBE-JTQLQIEISA-N 0 1 298.364 2.246 20 10 CECDMN COc1c([O-])c(C[N@H+]2CC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000294962956 378032754 /nfs/dbraw/zinc/03/27/54/378032754.db2.gz FAKAKJBXKKZBBE-JTQLQIEISA-N 0 1 298.364 2.246 20 10 CECDMN COc1cccc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c1O ZINC000295206322 378049955 /nfs/dbraw/zinc/04/99/55/378049955.db2.gz KUXLIZFWXNFXBQ-ZDUSSCGKSA-N 0 1 279.380 2.384 20 10 CECDMN Cc1cc(O)c(CN(CCO)Cc2cccnc2)cc1C ZINC000093085918 394664896 /nfs/dbraw/zinc/66/48/96/394664896.db2.gz KITFKQLSNZIQTQ-UHFFFAOYSA-N 0 1 286.375 2.399 20 10 CECDMN CCOc1ccc(O)c(CN2CCO[C@H](C)[C@@H]2C)c1 ZINC000093418580 394666408 /nfs/dbraw/zinc/66/64/08/394666408.db2.gz JRWBECZBIGKORI-NWDGAFQWSA-N 0 1 265.353 2.400 20 10 CECDMN CCN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000109769036 394735135 /nfs/dbraw/zinc/73/51/35/394735135.db2.gz RRHBYVIVCJFHBJ-GFCCVEGCSA-N 0 1 264.369 2.081 20 10 CECDMN COc1cccc(CN2CCO[C@@H]3CCC[C@@H]32)c1O ZINC000132770236 394936939 /nfs/dbraw/zinc/93/69/39/394936939.db2.gz YHKJPXVBHSRNLB-QWHCGFSZSA-N 0 1 263.337 2.154 20 10 CECDMN COc1cccc(C[N@H+]2C[C@H](C)OC(C)(C)C2)c1O ZINC000133114057 394945431 /nfs/dbraw/zinc/94/54/31/394945431.db2.gz PHUDOVWOSOFASB-NSHDSACASA-N 0 1 265.353 2.400 20 10 CECDMN COc1cccc(CN2C[C@H](C)OC(C)(C)C2)c1O ZINC000133114057 394945432 /nfs/dbraw/zinc/94/54/32/394945432.db2.gz PHUDOVWOSOFASB-NSHDSACASA-N 0 1 265.353 2.400 20 10 CECDMN CC(=O)N1CCCN(Cc2cc(Cl)ccc2O)CC1 ZINC000133273471 394947872 /nfs/dbraw/zinc/94/78/72/394947872.db2.gz DMADFWFPIHLNNA-UHFFFAOYSA-N 0 1 282.771 2.100 20 10 CECDMN OC[C@@H]1CC(F)(F)CN1Cc1c(O)ccc(Cl)c1F ZINC000372811202 395047316 /nfs/dbraw/zinc/04/73/16/395047316.db2.gz BWLDCFVFPFPTJC-ZETCQYMHSA-N 0 1 295.688 2.387 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000373324769 395058940 /nfs/dbraw/zinc/05/89/40/395058940.db2.gz QRJUEQADRKWUHE-CQSZACIVSA-N 0 1 267.756 2.392 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373324769 395058945 /nfs/dbraw/zinc/05/89/45/395058945.db2.gz QRJUEQADRKWUHE-CQSZACIVSA-N 0 1 267.756 2.392 20 10 CECDMN Cc1cccc(CN2CCO[C@@H](COC(C)C)C2)c1O ZINC000372123854 395035085 /nfs/dbraw/zinc/03/50/85/395035085.db2.gz DOENQNFELFUANE-OAHLLOKOSA-N 0 1 279.380 2.326 20 10 CECDMN CC(C)(CO)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000290897600 395118774 /nfs/dbraw/zinc/11/87/74/395118774.db2.gz LVEWKRVUAKQNTA-AWEZNQCLSA-N 0 1 267.344 2.418 20 10 CECDMN CC[C@@H]([NH2+]CCO)c1cc(Br)ccc1[O-] ZINC000020597022 171265942 /nfs/dbraw/zinc/26/59/42/171265942.db2.gz NMEMWGIOECCRQW-SNVBAGLBSA-N 0 1 274.158 2.188 20 10 CECDMN COc1cccc(CN2CCO[C@@H](C)[C@@H]2C)c1O ZINC000093418394 260276074 /nfs/dbraw/zinc/27/60/74/260276074.db2.gz VDUKULACYWXALT-QWRGUYRKSA-N 0 1 251.326 2.010 20 10 CECDMN NC(=O)CC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000159795524 261194356 /nfs/dbraw/zinc/19/43/56/261194356.db2.gz STVDOXUTBJTEAK-UHFFFAOYSA-N 0 1 282.771 2.133 20 10 CECDMN COCCN(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185314950 262049662 /nfs/dbraw/zinc/04/96/62/262049662.db2.gz YEZTYMBLHPDLHZ-NSHDSACASA-N 0 1 286.803 2.274 20 10 CECDMN C[C@@H]([NH2+]CC(=O)NCC1CC1)c1cc(Cl)ccc1[O-] ZINC000186505113 262095299 /nfs/dbraw/zinc/09/52/99/262095299.db2.gz XXUTUSRTLOCXRN-SECBINFHSA-N 0 1 282.771 2.222 20 10 CECDMN CC[C@@H](C)N(CC(=O)OC)Cc1cc(C)ccc1O ZINC000281220885 263067382 /nfs/dbraw/zinc/06/73/82/263067382.db2.gz KIGLHMWUTOCUKX-GFCCVEGCSA-N 0 1 265.353 2.474 20 10 CECDMN CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000290213877 263115361 /nfs/dbraw/zinc/11/53/61/263115361.db2.gz QVCGJCBMOXOCTF-LBPRGKRZSA-N 0 1 296.342 2.242 20 10 CECDMN C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(F)ccc1O ZINC000290599282 263117666 /nfs/dbraw/zinc/11/76/66/263117666.db2.gz VUXCMXPXPHQSAF-RISCZKNCSA-N 0 1 266.360 2.303 20 10 CECDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369670072 267258302 /nfs/dbraw/zinc/25/83/02/267258302.db2.gz ITDAMGGBJVWBFU-GXFFZTMASA-N 0 1 251.301 2.142 20 10 CECDMN O=C1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@H]2CCCCN12 ZINC000370287040 267306393 /nfs/dbraw/zinc/30/63/93/267306393.db2.gz BFGHMYRAHDXWGS-CHWSQXEVSA-N 0 1 294.782 2.289 20 10 CECDMN COC(=O)[C@@H](NCc1cccc(Cl)c1O)C1CC1 ZINC000276454811 328218429 /nfs/dbraw/zinc/21/84/29/328218429.db2.gz KKIHBJQDYCIWLQ-NSHDSACASA-N 0 1 269.728 2.087 20 10 CECDMN Oc1c(Cl)cccc1CN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377701412 329025663 /nfs/dbraw/zinc/02/56/63/329025663.db2.gz PAYAPZAMFKAIPG-ZIAGYGMSSA-N 0 1 297.782 2.425 20 10 CECDMN CC(=O)N1CCC[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000279781612 519552483 /nfs/dbraw/zinc/55/24/83/519552483.db2.gz LIBAFQJVTSMUCR-GFCCVEGCSA-N 0 1 296.798 2.394 20 10 CECDMN CCCOc1ccc(CN2C[C@@H](F)C[C@H]2CO)c(O)c1 ZINC000364846789 520352932 /nfs/dbraw/zinc/35/29/32/520352932.db2.gz VINMQWFNWNCMAE-STQMWFEESA-N 0 1 283.343 2.086 20 10 CECDMN CC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](C)CO ZINC000292831777 521290740 /nfs/dbraw/zinc/29/07/40/521290740.db2.gz RGYIAOOCXKLTPQ-MRVPVSSYSA-N 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/nfs/dbraw/zinc/67/72/60/639677260.db2.gz FDRSPHAVGHFRCV-VIFPVBQESA-N 0 1 299.754 2.351 20 10 CECDMN C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841748366 639857469 /nfs/dbraw/zinc/85/74/69/639857469.db2.gz XBISIOMNDISBJQ-NEPJUHHUSA-N 0 1 298.814 2.417 20 10 CECDMN COC(=O)N1CC([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841751705 639858540 /nfs/dbraw/zinc/85/85/40/639858540.db2.gz OJAPTMLKWPCYHD-QMMMGPOBSA-N 0 1 284.743 2.147 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000841894167 639901287 /nfs/dbraw/zinc/90/12/87/639901287.db2.gz PBHBPEGIVXXJFZ-LLVKDONJSA-N 0 1 290.741 2.475 20 10 CECDMN CC(C)(C[NH2+]Cc1c([O-])cccc1Cl)[C@@]1(O)CCOC1 ZINC000842758601 640172445 /nfs/dbraw/zinc/17/24/45/640172445.db2.gz MUIQZAOMSWYQHC-OAHLLOKOSA-N 0 1 299.798 2.313 20 10 CECDMN COc1ccc(O)c([C@@H](C)NC(=O)C(F)(F)F)c1 ZINC000104900911 640175739 /nfs/dbraw/zinc/17/57/39/640175739.db2.gz AFOCLOWQGWNKKO-ZCFIWIBFSA-N 0 1 263.215 2.140 20 10 CECDMN Cc1cc(Br)c([O-])c(CN2CCC[C@@H]([NH3+])C2)c1 ZINC000843043857 640249811 /nfs/dbraw/zinc/24/98/11/640249811.db2.gz MCEFREVWBIHRMB-LLVKDONJSA-N 0 1 299.212 2.386 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2[C@H](C)C[NH2+]C[C@@H]2C)c1[O-] ZINC000843369472 640407583 /nfs/dbraw/zinc/40/75/83/640407583.db2.gz NVOLTIKHZSUQSH-AOOOYVTPSA-N 0 1 296.798 2.430 20 10 CECDMN Cc1ccc(CN[C@H](C)c2nnc3n2CCC3)c(O)c1 ZINC000877166209 650606295 /nfs/dbraw/zinc/60/62/95/650606295.db2.gz POYOEZZUJSLOLU-LLVKDONJSA-N 0 1 272.352 2.089 20 10 CECDMN Cc1cc(CC(=O)NCCCSc2nccs2)[nH]n1 ZINC000154564755 640924553 /nfs/dbraw/zinc/92/45/53/640924553.db2.gz QRBKHIRRIITZBD-UHFFFAOYSA-N 0 1 296.421 2.016 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846112273 641187451 /nfs/dbraw/zinc/18/74/51/641187451.db2.gz YYPWLFATAPVKAW-AWEZNQCLSA-N 0 1 285.771 2.067 20 10 CECDMN COc1ccc(O)c([C@@H](C)NCc2cn3cccnc3n2)c1 ZINC000182429460 641658801 /nfs/dbraw/zinc/65/88/01/641658801.db2.gz QUYWBZTZGAMKJH-LLVKDONJSA-N 0 1 298.346 2.294 20 10 CECDMN CN(C)c1ccc(CNC(=O)c2cnccc2N(C)C)cc1 ZINC000183476647 641750284 /nfs/dbraw/zinc/75/02/84/641750284.db2.gz FSYLXEMPBMSKJK-UHFFFAOYSA-N 0 1 298.390 2.144 20 10 CECDMN CCc1cccc(CN2CC[S@](=O)C[C@@H](C)C2)c1O ZINC000848907304 642183989 /nfs/dbraw/zinc/18/39/89/642183989.db2.gz LDFJJORYLUQPLV-BUXKBTBVSA-N 0 1 281.421 2.155 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000083552449 642205417 /nfs/dbraw/zinc/20/54/17/642205417.db2.gz SQZRPVJYTIUQTH-JTQLQIEISA-N 0 1 266.772 2.372 20 10 CECDMN O[C@@H](CNCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000921590128 642253432 /nfs/dbraw/zinc/25/34/32/642253432.db2.gz YDVFXFBHDKGRGC-LBPRGKRZSA-N 0 1 275.270 2.024 20 10 CECDMN CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000921618573 642270770 /nfs/dbraw/zinc/27/07/70/642270770.db2.gz JHLPKBXBAWOVQL-OLZOCXBDSA-N 0 1 290.407 2.404 20 10 CECDMN COCCN(Cc1ccnn1C)Cc1c(C)cccc1O ZINC000877483280 650743609 /nfs/dbraw/zinc/74/36/09/650743609.db2.gz RUMATBMECUIDRU-UHFFFAOYSA-N 0 1 289.379 2.083 20 10 CECDMN CCOc1ccc(CN[C@H](C)c2nccn2C)c(O)c1 ZINC000850410816 642703195 /nfs/dbraw/zinc/70/31/95/642703195.db2.gz WXKVNPPDOIZGFA-LLVKDONJSA-N 0 1 275.352 2.375 20 10 CECDMN C[C@@H]([NH2+]C/C=C/CO)c1cc(Br)ccc1[O-] ZINC000850507856 642735358 /nfs/dbraw/zinc/73/53/58/642735358.db2.gz IJRGBSFOLWUEFH-GKQMSVHHSA-N 0 1 286.169 2.354 20 10 CECDMN Cc1cc(C[N@H+]2CCSC[C@@H]2C(=O)[O-])ccc1N(C)C ZINC000851705915 643116904 /nfs/dbraw/zinc/11/69/04/643116904.db2.gz YSCPADSXLYKCND-CQSZACIVSA-N 0 1 294.420 2.063 20 10 CECDMN C[C@H](O)C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000877621858 650817600 /nfs/dbraw/zinc/81/76/00/650817600.db2.gz XSXKGIAGSMJQIC-QMMMGPOBSA-N 0 1 257.280 2.016 20 10 CECDMN O=C([O-])[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000086727962 643382608 /nfs/dbraw/zinc/38/26/08/643382608.db2.gz PLTZWNXFOUQNBD-VIFPVBQESA-N 0 1 269.728 2.342 20 10 CECDMN Cc1cc(O)c(CN2CCSC[C@H]2CO)cc1Cl ZINC000877780419 650908332 /nfs/dbraw/zinc/90/83/32/650908332.db2.gz PUAKQOPMJLVCKG-LLVKDONJSA-N 0 1 287.812 2.264 20 10 CECDMN C[C@H]([NH2+]C[C@@H]1COCCO1)c1cc(Cl)ccc1[O-] ZINC000756434957 644648971 /nfs/dbraw/zinc/64/89/71/644648971.db2.gz RXLKDBZFEPZWGB-GXSJLCMTSA-N 0 1 271.744 2.112 20 10 CECDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H]1CN(C)CCO1 ZINC000756760215 644690312 /nfs/dbraw/zinc/69/03/12/644690312.db2.gz POJOTZQAJKFVPR-FIXISWKDSA-N 0 1 298.814 2.415 20 10 CECDMN CC(=O)N1CC[C@@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000856811316 644732903 /nfs/dbraw/zinc/73/29/03/644732903.db2.gz GIQHONYHHFQUPS-LLVKDONJSA-N 0 1 282.771 2.064 20 10 CECDMN C[C@H]([NH3+])[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843058313 644784670 /nfs/dbraw/zinc/78/46/70/644784670.db2.gz RNUKOFMVILZBED-DTWKUNHWSA-N 0 1 299.758 2.123 20 10 CECDMN Oc1ccc(Cl)c(F)c1CN1CCc2n[nH]cc2C1 ZINC000857878609 644994302 /nfs/dbraw/zinc/99/43/02/644994302.db2.gz OYYFCWBGXQRNRL-UHFFFAOYSA-N 0 1 281.718 2.466 20 10 CECDMN Cc1ccc(O)c(CNCc2c(Cl)cnn2C)c1 ZINC000858238744 645095774 /nfs/dbraw/zinc/09/57/74/645095774.db2.gz CLQRWTDTWGXOMW-UHFFFAOYSA-N 0 1 265.744 2.377 20 10 CECDMN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 ZINC000126911559 650999654 /nfs/dbraw/zinc/99/96/54/650999654.db2.gz CZWFGCBTDCDYPQ-HUUCEWRRSA-N 0 1 290.407 2.132 20 10 CECDMN C[C@H]1C[C@@H](CO)CN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862396068 646437746 /nfs/dbraw/zinc/43/77/46/646437746.db2.gz GQIXRLRNOBHFNX-NWDGAFQWSA-N 0 1 298.377 2.481 20 10 CECDMN CN(C)c1cc(F)c(CN2CC[C@H]3COC[C@@H]3C2)cc1F ZINC000862418253 646451697 /nfs/dbraw/zinc/45/16/97/646451697.db2.gz HRLAVEHNGAMZQG-AAEUAGOBSA-N 0 1 296.361 2.499 20 10 CECDMN Cc1ccc(O)c(CNC(=O)CN2CCC(C)CC2)c1 ZINC000862758166 646558477 /nfs/dbraw/zinc/55/84/77/646558477.db2.gz RBBBXXPSXPSRLU-UHFFFAOYSA-N 0 1 276.380 2.049 20 10 CECDMN C[N@@H+](CC(=O)NCc1cc(Cl)ccc1O)C1CCC1 ZINC000863928647 646853560 /nfs/dbraw/zinc/85/35/60/646853560.db2.gz VKUGDQCTZIQEKV-UHFFFAOYSA-N 0 1 282.771 2.146 20 10 CECDMN C=Cn1cc(CNCc2ccc3c(c2)CCO3)cn1 ZINC000774984956 646913569 /nfs/dbraw/zinc/91/35/69/646913569.db2.gz XIRKIKWHMSTODF-UHFFFAOYSA-N 0 1 255.321 2.208 20 10 CECDMN COC1(CO)CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000775206166 646930356 /nfs/dbraw/zinc/93/03/56/646930356.db2.gz VQNICBVMGXCQQV-UHFFFAOYSA-N 0 1 285.771 2.019 20 10 CECDMN COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775656676 646976826 /nfs/dbraw/zinc/97/68/26/646976826.db2.gz YPWSCXZCLGWVAU-MRVPVSSYSA-N 0 1 289.734 2.426 20 10 CECDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCOC1 ZINC000775678237 646980359 /nfs/dbraw/zinc/98/03/59/646980359.db2.gz XGAAUAGKIYNWNO-JTQLQIEISA-N 0 1 259.708 2.405 20 10 CECDMN C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000776521225 647067641 /nfs/dbraw/zinc/06/76/41/647067641.db2.gz MTEGTTYOVKBNKL-NTCNTBNZSA-N 0 1 293.791 2.384 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CC[C@H](O)C(F)F)c(Cl)c1 ZINC000865687833 647423310 /nfs/dbraw/zinc/42/33/10/647423310.db2.gz LZDQSTCPVADUTD-JTQLQIEISA-N 0 1 279.714 2.460 20 10 CECDMN CCN(CC(N)=O)Cc1cc(-c2ccccc2)ccc1O ZINC000789595248 648321721 /nfs/dbraw/zinc/32/17/21/648321721.db2.gz GTYYTYHJSRNXRW-UHFFFAOYSA-N 0 1 284.359 2.366 20 10 CECDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792178050 648619865 /nfs/dbraw/zinc/61/98/65/648619865.db2.gz BMONHJFPXHJTOK-SFYZADRCSA-N 0 1 259.708 2.140 20 10 CECDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC[C@@H]1O ZINC000792181283 648620390 /nfs/dbraw/zinc/62/03/90/648620390.db2.gz ZSBVEHBTXQHOGB-KWQFWETISA-N 0 1 273.735 2.387 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1CO ZINC000792181184 648620452 /nfs/dbraw/zinc/62/04/52/648620452.db2.gz XPCJLWNDQXWDIH-KWQFWETISA-N 0 1 273.735 2.387 20 10 CECDMN CC(C)c1cc(C(=O)N2Cc3cccc(O)c3C2)n[nH]1 ZINC000871201711 649030627 /nfs/dbraw/zinc/03/06/27/649030627.db2.gz YZVFCRMJEDEBPF-UHFFFAOYSA-N 0 1 271.320 2.395 20 10 CECDMN CCCOc1ccc(CN[C@@H](C)C(=O)NCC)cc1C ZINC000873007853 649529639 /nfs/dbraw/zinc/52/96/39/649529639.db2.gz HTTWKRRCIMXOPG-ZDUSSCGKSA-N 0 1 278.396 2.398 20 10 CECDMN CNCc1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881381494 651703353 /nfs/dbraw/zinc/70/33/53/651703353.db2.gz AXJKAASXMXFLMN-UHFFFAOYSA-N 0 1 299.422 2.345 20 10 CECDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000881429273 651719859 /nfs/dbraw/zinc/71/98/59/651719859.db2.gz XHTMBTYFPJRQQB-HWPZZCPQSA-N 0 1 297.358 2.324 20 10 CECDMN CC(C)=CC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881849459 651900301 /nfs/dbraw/zinc/90/03/01/651900301.db2.gz OEVFRGLUYMHMTH-UHFFFAOYSA-N 0 1 287.407 2.021 20 10 CECDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(=O)NC(C)(C)C ZINC000134493246 652847130 /nfs/dbraw/zinc/84/71/30/652847130.db2.gz GRSFMCOLGFAJJA-SECBINFHSA-N 0 1 284.787 2.438 20 10 CECDMN CN(C)c1ccc(/C=C/C(=O)N2[C@@H]3CC[C@H]2CN(C)C3)cc1 ZINC001270930728 805692877 /nfs/dbraw/zinc/69/28/77/805692877.db2.gz CSJNBDIZLBCFBS-LYMUKDTJSA-N 0 1 299.418 2.071 20 10 CECDMN Oc1cc(O)c(CCNc2ccc3nc[nH]c3c2)cc1O ZINC001168014593 805733053 /nfs/dbraw/zinc/73/30/53/805733053.db2.gz UFPQEFHFCDGYPF-UHFFFAOYSA-N 0 1 285.303 2.334 20 10 CECDMN COCC1([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000706863308 802846841 /nfs/dbraw/zinc/84/68/41/802846841.db2.gz CMARWWSEYKBVTK-UHFFFAOYSA-N 0 1 286.169 2.423 20 10 CECDMN Oc1ccc(O)c(CN2CC3(C2)C[C@H](F)CS3)c1 ZINC001141160960 803761093 /nfs/dbraw/zinc/76/10/93/803761093.db2.gz KYMDZAUFICHGNA-JTQLQIEISA-N 0 1 269.341 2.127 20 10 CECDMN CCN1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1=O ZINC000722351313 804341459 /nfs/dbraw/zinc/34/14/59/804341459.db2.gz AXKFSXVRVWJJQH-LBPRGKRZSA-N 0 1 282.771 2.146 20 10 CECDMN [O-]c1c(CN2CCC[NH2+]CC2)cccc1C(F)(F)F ZINC001204675098 804532477 /nfs/dbraw/zinc/53/24/77/804532477.db2.gz HCCLATMTZNDXIJ-UHFFFAOYSA-N 0 1 274.286 2.206 20 10 CECDMN CC[C@H](CO)[NH2+]Cc1c([O-])cccc1Br ZINC000706829170 809855850 /nfs/dbraw/zinc/85/58/50/809855850.db2.gz OKOICPTYJSSILG-MRVPVSSYSA-N 0 1 274.158 2.015 20 10 CECDMN CC[C@@H]([NH2+]Cc1c([O-])cccc1Br)[C@H](C)O ZINC000706831390 809856355 /nfs/dbraw/zinc/85/63/55/809856355.db2.gz CKAVPEPDDAPNOQ-GZMMTYOYSA-N 0 1 288.185 2.404 20 10 CECDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000708413720 809929709 /nfs/dbraw/zinc/92/97/09/809929709.db2.gz NFVMNUXKWRVKRX-RNCFNFMXSA-N 0 1 269.291 2.281 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+]CCn1cccn1 ZINC000691476007 811906317 /nfs/dbraw/zinc/90/63/17/811906317.db2.gz GHHJLVLQBCTFFD-UHFFFAOYSA-N 0 1 296.168 2.141 20 10 CECDMN CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1O ZINC000770380074 811920564 /nfs/dbraw/zinc/92/05/64/811920564.db2.gz LJKHXJOSKWXAJB-RNCFNFMXSA-N 0 1 255.745 2.248 20 10 CECDMN CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1O ZINC000770380074 811920569 /nfs/dbraw/zinc/92/05/69/811920569.db2.gz LJKHXJOSKWXAJB-RNCFNFMXSA-N 0 1 255.745 2.248 20 10 CECDMN CC[N@H+](Cc1ccccc1[O-])C1CCN(C(=O)OC)CC1 ZINC001172740927 815499248 /nfs/dbraw/zinc/49/92/48/815499248.db2.gz DBOUDNCLUSTFDF-UHFFFAOYSA-N 0 1 292.379 2.445 20 10 CECDMN CC[N@@H+](Cc1ccccc1[O-])C1CCN(C(=O)OC)CC1 ZINC001172740927 815499251 /nfs/dbraw/zinc/49/92/51/815499251.db2.gz DBOUDNCLUSTFDF-UHFFFAOYSA-N 0 1 292.379 2.445 20 10 CECDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000399026585 813693596 /nfs/dbraw/zinc/69/35/96/813693596.db2.gz WQOCUBOUZKYWFU-JSGCOSHPSA-N 0 1 276.380 2.295 20 10 CECDMN COC[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000234902586 814505699 /nfs/dbraw/zinc/50/56/99/814505699.db2.gz YNFRMOLLRRAKPX-DGCLKSJQSA-N 0 1 275.348 2.203 20 10 CECDMN CO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000691781589 814597982 /nfs/dbraw/zinc/59/79/82/814597982.db2.gz WMKFNTDCRWRFFF-NSHDSACASA-N 0 1 286.169 2.375 20 10 CECDMN CO[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000691781589 814597991 /nfs/dbraw/zinc/59/79/91/814597991.db2.gz WMKFNTDCRWRFFF-NSHDSACASA-N 0 1 286.169 2.375 20 10 CECDMN CO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000691781589 814597997 /nfs/dbraw/zinc/59/79/97/814597997.db2.gz WMKFNTDCRWRFFF-NSHDSACASA-N 0 1 286.169 2.375 20 10 CECDMN CO[C@H]1CCN(Cc2ccc(Br)cc2O)C1 ZINC000691781589 814598003 /nfs/dbraw/zinc/59/80/03/814598003.db2.gz WMKFNTDCRWRFFF-NSHDSACASA-N 0 1 286.169 2.375 20 10 CECDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1(CO)CC1 ZINC000696098792 814641156 /nfs/dbraw/zinc/64/11/56/814641156.db2.gz HKZMQIZSASRLOU-SECBINFHSA-N 0 1 255.745 2.296 20 10 CECDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684169 814750257 /nfs/dbraw/zinc/75/02/57/814750257.db2.gz RLVFMCVALOYKPP-VIFPVBQESA-N 0 1 285.290 2.055 20 10 CECDMN C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2F)[C@H]1CO ZINC001137831726 815690569 /nfs/dbraw/zinc/69/05/69/815690569.db2.gz LHTUIXJDOKLLIL-GWCFXTLKSA-N 0 1 253.317 2.124 20 10 CECDMN C[C@]1(O)CCC[N@@H+](Cc2c([O-])cccc2F)CC1 ZINC001137831998 815691559 /nfs/dbraw/zinc/69/15/59/815691559.db2.gz WEWHKEGMFKAFMV-AWEZNQCLSA-N 0 1 253.317 2.268 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2F)CC[C@]1(C)O ZINC001137833238 815693412 /nfs/dbraw/zinc/69/34/12/815693412.db2.gz XVSLIDBCFICPDH-YGRLFVJLSA-N 0 1 253.317 2.124 20 10 CECDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1F ZINC001137839178 815694979 /nfs/dbraw/zinc/69/49/79/815694979.db2.gz VFCWTKDBICQZAS-JTQLQIEISA-N 0 1 267.300 2.059 20 10 CECDMN CCOC(=O)CC[N@@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139684434 816082102 /nfs/dbraw/zinc/08/21/02/816082102.db2.gz UIALYKSZQZMIDX-UHFFFAOYSA-N 0 1 273.279 2.055 20 10 CECDMN C[N@@H+](Cc1c(F)ccc(F)c1[O-])CC1(C)COC1 ZINC001139683626 816082319 /nfs/dbraw/zinc/08/23/19/816082319.db2.gz PAWROWASHPLUCJ-UHFFFAOYSA-N 0 1 257.280 2.139 20 10 CECDMN C[C@H]1COCC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685575 816082550 /nfs/dbraw/zinc/08/25/50/816082550.db2.gz OTJHOMHBKLWWMY-SECBINFHSA-N 0 1 257.280 2.139 20 10 CECDMN O=C1CCC[C@@H]2C[N@H+](Cc3c(F)ccc(F)c3[O-])C[C@H]12 ZINC001139690093 816085904 /nfs/dbraw/zinc/08/59/04/816085904.db2.gz OIXZVRUGHJVGGZ-ZJUUUORDSA-N 0 1 281.302 2.471 20 10 CECDMN N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001206245731 816172574 /nfs/dbraw/zinc/17/25/74/816172574.db2.gz YOIHPIRIELLEER-NSHDSACASA-N 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C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000128822388 604675872 /nfs/dbraw/zinc/67/58/72/604675872.db2.gz HPFOHWUJBVHMFL-CYBMUJFWSA-N 0 1 269.728 2.342 20 10 CECDMN O=C([O-])N1CCC([N@@H+](Cc2ccccc2O)C2CC2)CC1 ZINC000834081833 605692982 /nfs/dbraw/zinc/69/29/82/605692982.db2.gz BSUNJCRFTAMLSG-UHFFFAOYSA-N 0 1 290.363 2.499 20 10 CECDMN CCN(CC)c1ccc(C[N@@H+](C)CC(=O)[O-])cc1 ZINC000077253398 623660341 /nfs/dbraw/zinc/66/03/41/623660341.db2.gz JISBQSCCFPBAFE-UHFFFAOYSA-N 0 1 250.342 2.049 20 10 CECDMN Cc1cc([O-])c(C[NH2+]Cc2ccnn2C)c(Cl)c1 ZINC000840880782 625827560 /nfs/dbraw/zinc/82/75/60/625827560.db2.gz WZQGSVDLJQYXPA-UHFFFAOYSA-N 0 1 265.744 2.377 20 10 CECDMN Cc1cc(O)c(CNCc2ccnn2C)c(Cl)c1 ZINC000840880782 625827561 /nfs/dbraw/zinc/82/75/61/625827561.db2.gz WZQGSVDLJQYXPA-UHFFFAOYSA-N 0 1 265.744 2.377 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CO)CC2)c1[O-] ZINC000293167098 627389050 /nfs/dbraw/zinc/38/90/50/627389050.db2.gz OZKJILWVHKCJAA-LBPRGKRZSA-N 0 1 295.354 2.328 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CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c1[O-] ZINC000852534693 643460624 /nfs/dbraw/zinc/46/06/24/643460624.db2.gz NURFQHLXNLZZDG-WBMJQRKESA-N 0 1 293.338 2.202 20 10 CECDMN CN(C)c1ccc(/C=C\CNCc2ncc[nH]2)cc1 ZINC000877674395 650844506 /nfs/dbraw/zinc/84/45/06/650844506.db2.gz VFZIPKZMURKWPU-ARJAWSKDSA-N 0 1 256.353 2.279 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1O ZINC000852669547 643506494 /nfs/dbraw/zinc/50/64/94/643506494.db2.gz PSIWJKVRBRONGK-AAEUAGOBSA-N 0 1 293.338 2.202 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1[O-] ZINC000852669547 643506497 /nfs/dbraw/zinc/50/64/97/643506497.db2.gz PSIWJKVRBRONGK-AAEUAGOBSA-N 0 1 293.338 2.202 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1[O-] ZINC000852669547 643506501 /nfs/dbraw/zinc/50/65/01/643506501.db2.gz PSIWJKVRBRONGK-AAEUAGOBSA-N 0 1 293.338 2.202 20 10 CECDMN CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H](C)C(=O)[O-] ZINC000852736578 643527876 /nfs/dbraw/zinc/52/78/76/643527876.db2.gz QYWVWEZGDBZZDD-QMMMGPOBSA-N 0 1 283.299 2.029 20 10 CECDMN COC(=O)c1coc(CNCc2cccc(C)c2O)c1 ZINC000877699309 650856370 /nfs/dbraw/zinc/85/63/70/650856370.db2.gz GEIMHALCAGASCL-UHFFFAOYSA-N 0 1 275.304 2.370 20 10 CECDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCSC[C@@H]1CO ZINC000877780369 650908119 /nfs/dbraw/zinc/90/81/19/650908119.db2.gz NXPJGNDWGLYYPG-JTQLQIEISA-N 0 1 291.775 2.094 20 10 CECDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCSC[C@@H]1CO ZINC000877780369 650908123 /nfs/dbraw/zinc/90/81/23/650908123.db2.gz NXPJGNDWGLYYPG-JTQLQIEISA-N 0 1 291.775 2.094 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+][C@]2(C)CCO[C@H]2C)c1[O-] ZINC000755155664 644481253 /nfs/dbraw/zinc/48/12/53/644481253.db2.gz CNMGZAOMDRAXLP-ZUZCIYMTSA-N 0 1 281.327 2.391 20 10 CECDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@@H]1CN(C)CCO1 ZINC000756760220 644690453 /nfs/dbraw/zinc/69/04/53/644690453.db2.gz POJOTZQAJKFVPR-RWSFTLGLSA-N 0 1 298.814 2.415 20 10 CECDMN C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Cl)ccc1[O-] ZINC000858434452 645157593 /nfs/dbraw/zinc/15/75/93/645157593.db2.gz HEGFRFHJATTWAY-SKDRFNHKSA-N 0 1 295.770 2.163 20 10 CECDMN C[C@@H](N[C@@H](CO)c1ccnn1C)c1cc(Cl)ccc1O ZINC000858434452 645157598 /nfs/dbraw/zinc/15/75/98/645157598.db2.gz HEGFRFHJATTWAY-SKDRFNHKSA-N 0 1 295.770 2.163 20 10 CECDMN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000126911318 651000103 /nfs/dbraw/zinc/00/01/03/651000103.db2.gz CZWFGCBTDCDYPQ-GJZGRUSLSA-N 0 1 290.407 2.132 20 10 CECDMN CCOC(=O)[C@H](C)NCc1c(O)ccc(Cl)c1F ZINC000763271148 645525708 /nfs/dbraw/zinc/52/57/08/645525708.db2.gz FBZXGKFQICXEFS-ZETCQYMHSA-N 0 1 275.707 2.226 20 10 CECDMN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c([O-])cccc1Cl ZINC000765796560 645811031 /nfs/dbraw/zinc/81/10/31/645811031.db2.gz OJPDYWQJHXJIJM-SKDRFNHKSA-N 0 1 282.771 2.050 20 10 CECDMN CC[N@@H+](CCCO)Cc1cccc(Br)c1[O-] ZINC000769482961 646276163 /nfs/dbraw/zinc/27/61/63/646276163.db2.gz MEFKBSZATYHKHE-UHFFFAOYSA-N 0 1 288.185 2.359 20 10 CECDMN C[C@@H](O)C1([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000862418708 646452665 /nfs/dbraw/zinc/45/26/65/646452665.db2.gz KRKCCELGIFDHSL-MRVPVSSYSA-N 0 1 286.169 2.158 20 10 CECDMN C[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1CO ZINC000862425496 646456344 /nfs/dbraw/zinc/45/63/44/646456344.db2.gz YEBQUKAOYPJWKF-DGCLKSJQSA-N 0 1 298.377 2.481 20 10 CECDMN CCN(C)c1ccc(CN2CCC3(C2)OCCO3)cc1 ZINC000773771036 646774737 /nfs/dbraw/zinc/77/47/37/646774737.db2.gz HQYHHXPLGJEUHY-UHFFFAOYSA-N 0 1 276.380 2.092 20 10 CECDMN COc1c(O)c(C[N@H+]2CCC2(C)C)ccc1[N+](=O)[O-] ZINC000774883552 646906075 /nfs/dbraw/zinc/90/60/75/646906075.db2.gz GGEPFAQJYHSUIJ-UHFFFAOYSA-N 0 1 266.297 2.293 20 10 CECDMN COc1c([O-])c(C[N@@H+]2CCC2(C)C)ccc1[N+](=O)[O-] ZINC000774883552 646906078 /nfs/dbraw/zinc/90/60/78/646906078.db2.gz GGEPFAQJYHSUIJ-UHFFFAOYSA-N 0 1 266.297 2.293 20 10 CECDMN COc1c([O-])c(C[N@H+]2CCC2(C)C)ccc1[N+](=O)[O-] ZINC000774883552 646906079 /nfs/dbraw/zinc/90/60/79/646906079.db2.gz GGEPFAQJYHSUIJ-UHFFFAOYSA-N 0 1 266.297 2.293 20 10 CECDMN CN1CCN(c2ccc(CNc3ccccn3)cc2)CC1 ZINC000777507021 647143005 /nfs/dbraw/zinc/14/30/05/647143005.db2.gz MEMMNUNPVPEFKM-UHFFFAOYSA-N 0 1 282.391 2.446 20 10 CECDMN CC[C@H](NCc1ncnn1CC)c1ccccc1O ZINC000785789925 647957989 /nfs/dbraw/zinc/95/79/89/647957989.db2.gz WHTXPWIOOJAIRW-LBPRGKRZSA-N 0 1 260.341 2.245 20 10 CECDMN CN(Cc1ccccc1O)C(=O)c1ccc2cncn2c1 ZINC000786329877 648001811 /nfs/dbraw/zinc/00/18/11/648001811.db2.gz INLNHALNTGOUTE-UHFFFAOYSA-N 0 1 281.315 2.312 20 10 CECDMN CC[C@H]1C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1O ZINC000792173175 648618928 /nfs/dbraw/zinc/61/89/28/648618928.db2.gz TXCRVBIOMXSEJI-QPUJVOFHSA-N 0 1 273.735 2.387 20 10 CECDMN COc1ccc(O)c(CNCc2cccnc2F)c1 ZINC000793285445 648736837 /nfs/dbraw/zinc/73/68/37/648736837.db2.gz ONJVYDAYGNWBCY-UHFFFAOYSA-N 0 1 262.284 2.225 20 10 CECDMN Cc1ccc(C)c(NCCc2cc(O)c(O)cc2O)n1 ZINC001168006973 805664689 /nfs/dbraw/zinc/66/46/89/805664689.db2.gz XZLXNVAOWYXZER-UHFFFAOYSA-N 0 1 274.320 2.470 20 10 CECDMN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527214 806620622 /nfs/dbraw/zinc/62/06/22/806620622.db2.gz OOFZQIUMHMUWPI-ZDUSSCGKSA-N 0 1 271.307 2.406 20 10 CECDMN C[C@H]1C[C@H](O)CC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142525075 806618348 /nfs/dbraw/zinc/61/83/48/806618348.db2.gz WAKAIZQAGFHRFC-WCBMZHEXSA-N 0 1 257.280 2.016 20 10 CECDMN O=C1CCC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]12 ZINC001142534637 806623771 /nfs/dbraw/zinc/62/37/71/806623771.db2.gz QLJPXGQSYMVIBL-MWLCHTKSSA-N 0 1 281.302 2.471 20 10 CECDMN C[N@H+](CCN1CCCC1)Cc1cccc(F)c1[O-] ZINC000160231430 806862579 /nfs/dbraw/zinc/86/25/79/806862579.db2.gz VWGWKQOAPROCBN-UHFFFAOYSA-N 0 1 252.333 2.059 20 10 CECDMN C[N@@H+](CCN1CCCC1)Cc1cccc(F)c1[O-] ZINC000160231430 806862585 /nfs/dbraw/zinc/86/25/85/806862585.db2.gz VWGWKQOAPROCBN-UHFFFAOYSA-N 0 1 252.333 2.059 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000383286498 802902582 /nfs/dbraw/zinc/90/25/82/802902582.db2.gz UIARZGKNIBWYNO-DOMZBBRYSA-N 0 1 276.380 2.295 20 10 CECDMN O=C([O-])[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708089779 803176880 /nfs/dbraw/zinc/17/68/80/803176880.db2.gz MKNNEPIVVJAXFL-KCJUWKMLSA-N 0 1 285.290 2.403 20 10 CECDMN CC[N@@H+](Cc1c([O-])cc(F)cc1F)CC(C)(C)O ZINC001140584050 803185942 /nfs/dbraw/zinc/18/59/42/803185942.db2.gz DVAHYJOVJNDFCX-UHFFFAOYSA-N 0 1 259.296 2.263 20 10 CECDMN Cc1noc([C@H]2CC[N@@H+](Cc3c([O-])cc(F)cc3F)C2)n1 ZINC001140584600 803186006 /nfs/dbraw/zinc/18/60/06/803186006.db2.gz YGAAUNNKYYNJCQ-VIFPVBQESA-N 0 1 295.289 2.351 20 10 CECDMN COc1cc(N(C)C)ccc1CN1CC([C@@H](C)OC)C1 ZINC001231857365 807194485 /nfs/dbraw/zinc/19/44/85/807194485.db2.gz HXPIVUPKKBNNPW-GFCCVEGCSA-N 0 1 278.396 2.228 20 10 CECDMN C[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)CO1 ZINC000706835615 809856963 /nfs/dbraw/zinc/85/69/63/809856963.db2.gz CEMZIDMGYNCVSM-IUCAKERBSA-N 0 1 286.169 2.422 20 10 CECDMN CCC[C@@H](O)C[NH2+]Cc1c([O-])cccc1Br ZINC000706875333 809859570 /nfs/dbraw/zinc/85/95/70/809859570.db2.gz VKFPIMKIACOROG-SECBINFHSA-N 0 1 288.185 2.405 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCCOC1 ZINC000691430140 811659919 /nfs/dbraw/zinc/65/99/19/811659919.db2.gz RSHDWOJUIVWBGV-LLVKDONJSA-N 0 1 286.169 2.423 20 10 CECDMN C[N@H+]1CCC2(CN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001276380503 813119517 /nfs/dbraw/zinc/11/95/17/813119517.db2.gz XRRAVNJZYWQHDL-UHFFFAOYSA-N 0 1 266.772 2.183 20 10 CECDMN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000386248200 813162119 /nfs/dbraw/zinc/16/21/19/813162119.db2.gz IUGXPYFKSCWXTH-XHDPSFHLSA-N 0 1 295.354 2.327 20 10 CECDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000386248200 813162122 /nfs/dbraw/zinc/16/21/22/813162122.db2.gz IUGXPYFKSCWXTH-XHDPSFHLSA-N 0 1 295.354 2.327 20 10 CECDMN CC[C@H](C)[N@@H+](CCO)Cc1cc(F)cc(C(C)=O)c1O ZINC000394400214 813394617 /nfs/dbraw/zinc/39/46/17/813394617.db2.gz KSZFGNORFXAAIS-JTQLQIEISA-N 0 1 283.343 2.327 20 10 CECDMN CC[C@H](C)[N@H+](CCO)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000394400214 813394624 /nfs/dbraw/zinc/39/46/24/813394624.db2.gz KSZFGNORFXAAIS-JTQLQIEISA-N 0 1 283.343 2.327 20 10 CECDMN CC[C@H](C)[N@@H+](CCO)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000394400214 813394632 /nfs/dbraw/zinc/39/46/32/813394632.db2.gz KSZFGNORFXAAIS-JTQLQIEISA-N 0 1 283.343 2.327 20 10 CECDMN CN(C)c1ccc(CN(C)Cc2ccc(O)cn2)cc1 ZINC001144262964 814006398 /nfs/dbraw/zinc/00/63/98/814006398.db2.gz KHAONHRIRRBCEN-UHFFFAOYSA-N 0 1 271.364 2.485 20 10 CECDMN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@H](CO)CC1 ZINC001137833171 815693326 /nfs/dbraw/zinc/69/33/26/815693326.db2.gz VXGUVYCRGIIVQQ-NSHDSACASA-N 0 1 253.317 2.126 20 10 CECDMN C[N@@H+](Cc1c([O-])cccc1F)[C@@H]1CCC2(C1)OCCO2 ZINC001137841656 815694122 /nfs/dbraw/zinc/69/41/22/815694122.db2.gz OHTXEUBGAZJYDS-LLVKDONJSA-N 0 1 281.327 2.259 20 10 CECDMN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001137838715 815695481 /nfs/dbraw/zinc/69/54/81/815695481.db2.gz IMYYFSYNIZVCTA-TUAOUCFPSA-N 0 1 293.338 2.305 20 10 CECDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001138124128 815734810 /nfs/dbraw/zinc/73/48/10/815734810.db2.gz ZZRHFFJWVJVMQS-CQSZACIVSA-N 0 1 251.301 2.286 20 10 CECDMN Cc1c(CN2CCCC[C@H]2C(N)=O)c2ccccc2n1C ZINC001138256799 815756609 /nfs/dbraw/zinc/75/66/09/815756609.db2.gz LDQMZRXFZJCUCN-INIZCTEOSA-N 0 1 285.391 2.327 20 10 CECDMN CN1CCCc2cc(CN3CCC4(C3)OCCO4)ccc21 ZINC001138357485 815774824 /nfs/dbraw/zinc/77/48/24/815774824.db2.gz GKPBAGWJJPQEAV-UHFFFAOYSA-N 0 1 288.391 2.018 20 10 CECDMN CN(C)c1ccc(CN(C)Cc2cccnn2)cc1 ZINC001139973746 816152937 /nfs/dbraw/zinc/15/29/37/816152937.db2.gz HPJFQZHWAHKMAI-UHFFFAOYSA-N 0 1 256.353 2.175 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001140462660 816260271 /nfs/dbraw/zinc/26/02/71/816260271.db2.gz KTCRQGGKMQRLMP-DGCLKSJQSA-N 0 1 253.729 2.409 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001140462660 816260276 /nfs/dbraw/zinc/26/02/76/816260276.db2.gz KTCRQGGKMQRLMP-DGCLKSJQSA-N 0 1 253.729 2.409 20 10 CECDMN COC(=O)[C@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])CC12CC2 ZINC001140468386 816262240 /nfs/dbraw/zinc/26/22/40/816262240.db2.gz IURCNAKHBPTCRU-GFCCVEGCSA-N 0 1 295.766 2.431 20 10 CECDMN COC(=O)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])CC12CC2 ZINC001140468386 816262244 /nfs/dbraw/zinc/26/22/44/816262244.db2.gz IURCNAKHBPTCRU-GFCCVEGCSA-N 0 1 295.766 2.431 20 10 CECDMN C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140465689 816262288 /nfs/dbraw/zinc/26/22/88/816262288.db2.gz RISGFOQCTAYYPK-JOYOIKCWSA-N 0 1 255.745 2.391 20 10 CECDMN C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc(Cl)cc1[O-] ZINC001140465689 816262291 /nfs/dbraw/zinc/26/22/91/816262291.db2.gz RISGFOQCTAYYPK-JOYOIKCWSA-N 0 1 255.745 2.391 20 10 CECDMN C[N@@H+](Cc1c([O-])cc(F)cc1F)[C@H]1CC[C@H](O)CC1 ZINC001140582550 816290471 /nfs/dbraw/zinc/29/04/71/816290471.db2.gz JWBPRWNAHJRCGX-XYPYZODXSA-N 0 1 271.307 2.406 20 10 CECDMN Oc1cc(F)cc(F)c1CN1CCO[C@@H](C(F)(F)F)C1 ZINC001140584153 816292888 /nfs/dbraw/zinc/29/28/88/816292888.db2.gz 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[O-]c1ccc(Cl)cc1C[NH2+]CCCn1cccn1 ZINC000134491294 652846887 /nfs/dbraw/zinc/84/68/87/652846887.db2.gz WXTANOBJKWGERN-UHFFFAOYSA-N 0 1 265.744 2.422 20 10 CECDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001142527144 806618893 /nfs/dbraw/zinc/61/88/93/806618893.db2.gz MEWKXHXWOAQVFP-XPTSAGLGSA-N 0 1 269.291 2.281 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2c([O-])c(F)ccc2F)CCC[C@H]1O ZINC001139684769 814758370 /nfs/dbraw/zinc/75/83/70/814758370.db2.gz LIZQFJPPKHKJCM-NOZJJQNGSA-N 0 1 271.307 2.263 20 10 CECDMN COC(=O)N(C)CC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000690816967 803746448 /nfs/dbraw/zinc/74/64/48/803746448.db2.gz PUTVDWKRNSYVAL-UHFFFAOYSA-N 0 1 286.759 2.176 20 10 CECDMN COCC1(NCc2cc(F)c(N(C)C)cc2F)CC1 ZINC001118800845 815046056 /nfs/dbraw/zinc/04/60/56/815046056.db2.gz FJTZVPQTNFALTR-UHFFFAOYSA-N 0 1 270.323 2.299 20 10 CECDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001233335786 807395569 /nfs/dbraw/zinc/39/55/69/807395569.db2.gz LMXYFKMCIPNUQO-TVQRCGJNSA-N 0 1 269.291 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CC(C)[C@H]1COCCN1Cc1ccc2c(c1)OCCN2C ZINC001141143890 816485313 /nfs/dbraw/zinc/48/53/13/816485313.db2.gz MOXCAYQDKGNHGK-MRXNPFEDSA-N 0 1 290.407 2.372 20 10 CECDMN Oc1cc2c(cc1CN1CCOCC13CCCC3)OCO2 ZINC000093840734 344230780 /nfs/dbraw/zinc/23/07/80/344230780.db2.gz FBBUEYSDHZVYPY-UHFFFAOYSA-N 0 1 291.347 2.266 20 10 CECDMN C[C@H](CO)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134914431 366373322 /nfs/dbraw/zinc/37/33/22/366373322.db2.gz CIIQXKAZLGMDRG-IUCAKERBSA-N 0 1 288.185 2.434 20 10 CECDMN C[C@H]([NH2+]CCCN1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273425934 299292291 /nfs/dbraw/zinc/29/22/91/299292291.db2.gz UCIDPLQMHOAHJX-LBPRGKRZSA-N 0 1 293.367 2.437 20 10 CECDMN CC[C@@](C)(O)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000111384721 364732937 /nfs/dbraw/zinc/73/29/37/364732937.db2.gz HCFIHTCDJPUHLO-GFCCVEGCSA-N 0 1 288.185 2.405 20 10 CECDMN CCOc1cccc(C[N@H+]2CC[C@H](OCCOC)C2)c1O ZINC000188812538 369412611 /nfs/dbraw/zinc/41/26/11/369412611.db2.gz SIHWOYAZPNIJAZ-AWEZNQCLSA-N 0 1 295.379 2.028 20 10 CECDMN COc1cccc(C[N@@H+](C)Cc2ccccn2)c1O ZINC000273408069 373755678 /nfs/dbraw/zinc/75/56/78/373755678.db2.gz NULLGLNCNZUNBS-UHFFFAOYSA-N 0 1 258.321 2.428 20 10 CECDMN COc1cccc(CN(C)Cc2ccccn2)c1O ZINC000273408069 373755683 /nfs/dbraw/zinc/75/56/83/373755683.db2.gz NULLGLNCNZUNBS-UHFFFAOYSA-N 0 1 258.321 2.428 20 10 CECDMN C[C@@H]([NH2+]CCCN1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273425928 373757370 /nfs/dbraw/zinc/75/73/70/373757370.db2.gz UCIDPLQMHOAHJX-GFCCVEGCSA-N 0 1 293.367 2.437 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1[O-] ZINC000373807690 374422836 /nfs/dbraw/zinc/42/28/36/374422836.db2.gz WHWSKIAZIGFOFL-GDBMZVCRSA-N 0 1 293.338 2.391 20 10 CECDMN COC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC000374674223 374626233 /nfs/dbraw/zinc/62/62/33/374626233.db2.gz AVPLRLHPNUBEOM-WBMJQRKESA-N 0 1 293.338 2.306 20 10 CECDMN CC1(C)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1O ZINC000294819819 378020688 /nfs/dbraw/zinc/02/06/88/378020688.db2.gz XLLUZNLJRVTBTK-GFCCVEGCSA-N 0 1 273.735 2.387 20 10 CECDMN C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(Br)ccc1[O-] ZINC000296073018 378409998 /nfs/dbraw/zinc/40/99/98/378409998.db2.gz WTKKMLUPPLCTQI-UJNFCWOMSA-N 0 1 286.169 2.329 20 10 CECDMN C[C@](O)(C[NH2+]Cc1c([O-])cccc1Cl)C(F)(F)F ZINC000270472714 394735731 /nfs/dbraw/zinc/73/57/31/394735731.db2.gz HZJMRFUSTPEWKV-JTQLQIEISA-N 0 1 283.677 2.449 20 10 CECDMN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(F)c1[O-] ZINC000360675805 394805158 /nfs/dbraw/zinc/80/51/58/394805158.db2.gz XSDGJQLBDWUUJK-BPNCWPANSA-N 0 1 292.354 2.150 20 10 CECDMN CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1O ZINC000077253443 177241455 /nfs/dbraw/zinc/24/14/55/177241455.db2.gz XGQLRRFLWMVCDP-LBPRGKRZSA-N 0 1 279.336 2.088 20 10 CECDMN CN(C)c1ccc(CNCc2ccc(CO)o2)cc1 ZINC000077897773 260167293 /nfs/dbraw/zinc/16/72/93/260167293.db2.gz RGKAAUFEQWYEAM-UHFFFAOYSA-N 0 1 260.337 2.128 20 10 CECDMN CC[C@@](C)(CO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000152167790 261060860 /nfs/dbraw/zinc/06/08/60/261060860.db2.gz IYEKZCQERRKQQX-LBPRGKRZSA-N 0 1 288.185 2.405 20 10 CECDMN CCCOc1ccc(CN2CCCC[C@H]2C(N)=O)c(O)c1 ZINC000162072870 261268482 /nfs/dbraw/zinc/26/84/82/261268482.db2.gz JLSFLCPDQKRGOO-AWEZNQCLSA-N 0 1 292.379 2.021 20 10 CECDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCOC1 ZINC000163758837 261328671 /nfs/dbraw/zinc/32/86/71/261328671.db2.gz JFDFUZOMGDHCCB-SECBINFHSA-N 0 1 286.169 2.281 20 10 CECDMN CC(C)C(=O)NCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000184869217 262031749 /nfs/dbraw/zinc/03/17/49/262031749.db2.gz CBSAUMPJBPXHHQ-SNVBAGLBSA-N 0 1 284.787 2.468 20 10 CECDMN COC(=O)N1CC([NH2+][C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000186137214 262080794 /nfs/dbraw/zinc/08/07/94/262080794.db2.gz ONSYVDLWFPDMGQ-MRVPVSSYSA-N 0 1 284.743 2.147 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1O ZINC000189698684 264322495 /nfs/dbraw/zinc/32/24/95/264322495.db2.gz VBZBHVZEULKVDE-YMTOWFKASA-N 0 1 297.782 2.451 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1[O-] ZINC000189698684 264322497 /nfs/dbraw/zinc/32/24/97/264322497.db2.gz VBZBHVZEULKVDE-YMTOWFKASA-N 0 1 297.782 2.451 20 10 CECDMN COC(=O)[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CC12CCC2 ZINC000370085415 267289916 /nfs/dbraw/zinc/28/99/16/267289916.db2.gz VOWMKAMAUMUFDO-GFCCVEGCSA-N 0 1 293.338 2.306 20 10 CECDMN O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@@H]2CCCCN12 ZINC000370287043 267306942 /nfs/dbraw/zinc/30/69/42/267306942.db2.gz BFGHMYRAHDXWGS-STQMWFEESA-N 0 1 294.782 2.289 20 10 CECDMN CC[C@H](c1ccccc1O)N1CCOC[C@]12CCOC2 ZINC000370736809 267343134 /nfs/dbraw/zinc/34/31/34/267343134.db2.gz HCJLVHMEJJYBNH-GDBMZVCRSA-N 0 1 277.364 2.335 20 10 CECDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1cn[nH]c1 ZINC000289876226 327815912 /nfs/dbraw/zinc/81/59/12/327815912.db2.gz PHRZOLYEURJFCL-UHFFFAOYSA-N 0 1 296.168 2.210 20 10 CECDMN COC(=O)[C@@H]1CCCCCN1Cc1ccccc1O ZINC000360020603 329070150 /nfs/dbraw/zinc/07/01/50/329070150.db2.gz VBBUSTCZADCLRS-ZDUSSCGKSA-N 0 1 263.337 2.310 20 10 CECDMN C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000134913563 334108187 /nfs/dbraw/zinc/10/81/87/334108187.db2.gz PBUYEHVRCDLXQT-SFYZADRCSA-N 0 1 274.158 2.186 20 10 CECDMN CC[C@@H](C)NC(=O)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000083551981 522153469 /nfs/dbraw/zinc/15/34/69/522153469.db2.gz DKPHZZXMCVVOBC-SNVBAGLBSA-N 0 1 284.787 2.440 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2CCO)c1[O-] ZINC000050132854 518282629 /nfs/dbraw/zinc/28/26/29/518282629.db2.gz LTYRZVRHTCEYEZ-CQSZACIVSA-N 0 1 295.354 2.471 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2CCO)c1[O-] ZINC000050132854 518282636 /nfs/dbraw/zinc/28/26/36/518282636.db2.gz LTYRZVRHTCEYEZ-CQSZACIVSA-N 0 1 295.354 2.471 20 10 CECDMN CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CCO)c1O ZINC000050132854 518282642 /nfs/dbraw/zinc/28/26/42/518282642.db2.gz LTYRZVRHTCEYEZ-CQSZACIVSA-N 0 1 295.354 2.471 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](CO)C(C)(C)C)c1[O-] ZINC000278822115 518287771 /nfs/dbraw/zinc/28/77/71/518287771.db2.gz PUCYGXWKTMTJKJ-ZDUSSCGKSA-N 0 1 283.343 2.231 20 10 CECDMN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)OC ZINC000076074132 521690959 /nfs/dbraw/zinc/69/09/59/521690959.db2.gz VWOTUGMBMLPKQS-NSHDSACASA-N 0 1 251.326 2.166 20 10 CECDMN CC[C@]1(CO)CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000276513525 523619354 /nfs/dbraw/zinc/61/93/54/523619354.db2.gz UFZXBUNSUJKGRX-CQSZACIVSA-N 0 1 253.317 2.268 20 10 CECDMN CCn1nc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c1C ZINC000271940029 523659422 /nfs/dbraw/zinc/65/94/22/523659422.db2.gz LIPGODOKBJVFKJ-UHFFFAOYSA-N 0 1 295.364 2.026 20 10 CECDMN CNC(=O)C1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000273623215 524048397 /nfs/dbraw/zinc/04/83/97/524048397.db2.gz ZTNTZFZNBBXISP-XSRFYTQQSA-N 0 1 294.370 2.487 20 10 CECDMN C[C@@H]1OCC[C@@]12CN(Cc1cc(F)ccc1O)C[C@@H](C)O2 ZINC000280358002 525585796 /nfs/dbraw/zinc/58/57/96/525585796.db2.gz CJWQGBYLMDNNLE-BFQNTYOBSA-N 0 1 295.354 2.300 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CCN1CCCC1 ZINC000083551495 526363922 /nfs/dbraw/zinc/36/39/22/526363922.db2.gz DNAQXVXVKHKLIM-UHFFFAOYSA-N 0 1 254.761 2.231 20 10 CECDMN Cc1noc([C@H]2CCCN2Cc2ccccc2O)n1 ZINC000289910483 526670478 /nfs/dbraw/zinc/67/04/78/526670478.db2.gz UYLLBROHECOVOU-GFCCVEGCSA-N 0 1 259.309 2.421 20 10 CECDMN CC(C)(CNC(=O)C1=CC(=O)CS1)N1CCCCC1 ZINC000731864123 574604180 /nfs/dbraw/zinc/60/41/80/574604180.db2.gz PSEGNPQNTMUIIX-UHFFFAOYSA-N 0 1 282.409 2.448 20 10 CECDMN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C1=CC(=O)CS1 ZINC000731870017 574604356 /nfs/dbraw/zinc/60/43/56/574604356.db2.gz HVWYFBYIDGDIAR-WDEREUQCSA-N 0 1 282.409 2.304 20 10 CECDMN COc1cccc(CNCc2c(C)nn(C)c2Cl)c1O ZINC000733900907 574690156 /nfs/dbraw/zinc/69/01/56/574690156.db2.gz PHOFVEDKXSYXTL-UHFFFAOYSA-N 0 1 295.770 2.386 20 10 CECDMN COC(=O)c1ccc(CNCc2ccc(OC)cc2O)o1 ZINC000734160278 574703838 /nfs/dbraw/zinc/70/38/38/574703838.db2.gz SYFCCTANJOUWPI-UHFFFAOYSA-N 0 1 291.303 2.070 20 10 CECDMN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)CS1 ZINC000751403498 575288457 /nfs/dbraw/zinc/28/84/57/575288457.db2.gz SKAYXQPBOWJSIA-MNOVXSKESA-N 0 1 280.393 2.153 20 10 CECDMN CCOc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c(O)c1 ZINC000820387658 598132549 /nfs/dbraw/zinc/13/25/49/598132549.db2.gz WGJQDJBNWXHBEL-CYBMUJFWSA-N 0 1 279.336 2.230 20 10 CECDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(OCC)cc1O ZINC000829475800 604475414 /nfs/dbraw/zinc/47/54/14/604475414.db2.gz FDWSEUWKQSWILF-UHFFFAOYSA-N 0 1 267.325 2.088 20 10 CECDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000833812217 605581812 /nfs/dbraw/zinc/58/18/12/605581812.db2.gz IAWYJTXSJRSKJD-WDEREUQCSA-N 0 1 296.342 2.399 20 10 CECDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000833812217 605581815 /nfs/dbraw/zinc/58/18/15/605581815.db2.gz IAWYJTXSJRSKJD-WDEREUQCSA-N 0 1 296.342 2.399 20 10 CECDMN O=C([O-])NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000834221681 605693537 /nfs/dbraw/zinc/69/35/37/605693537.db2.gz VWVMAKWNDYDZOB-LBPRGKRZSA-N 0 1 264.325 2.014 20 10 CECDMN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CNC(=O)C2)c1[O-] ZINC000840838030 623629594 /nfs/dbraw/zinc/62/95/94/623629594.db2.gz MBLJAQHWMBQFHD-VHSXEESVSA-N 0 1 282.771 2.141 20 10 CECDMN CCn1cc(CNCc2ccc3c(c2)CCO3)c(C)n1 ZINC000892792983 627775837 /nfs/dbraw/zinc/77/58/37/627775837.db2.gz JUKNKHQYXCTGDQ-UHFFFAOYSA-N 0 1 271.364 2.436 20 10 CECDMN COC(=O)CC(C)(C)[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000178329719 627918935 /nfs/dbraw/zinc/91/89/35/627918935.db2.gz HBQDNYRKAKQCIM-UHFFFAOYSA-N 0 1 297.326 2.165 20 10 CECDMN CCOc1cccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1O ZINC000313741016 628632469 /nfs/dbraw/zinc/63/24/69/628632469.db2.gz CABODUFKWLMYNB-DGCLKSJQSA-N 0 1 293.363 2.334 20 10 CECDMN Cc1cc([O-])c(C[NH+]2CC(CCO)C2)c(Cl)c1 ZINC000840953041 628855266 /nfs/dbraw/zinc/85/52/66/628855266.db2.gz LOPHLGMFNJGAJL-UHFFFAOYSA-N 0 1 255.745 2.168 20 10 CECDMN Cc1ccnc(N)c1CNCc1ccc2c(c1)CCO2 ZINC000894214338 629231347 /nfs/dbraw/zinc/23/13/47/629231347.db2.gz VKXVNULCRRDRHE-UHFFFAOYSA-N 0 1 269.348 2.197 20 10 CECDMN COc1cccc(CNCc2c(Cl)c(C)nn2C)c1O ZINC000894457741 629471666 /nfs/dbraw/zinc/47/16/66/629471666.db2.gz HSDKWLPBLGAXDJ-UHFFFAOYSA-N 0 1 295.770 2.386 20 10 CECDMN Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894779750 629634776 /nfs/dbraw/zinc/63/47/76/629634776.db2.gz NTVGNFHHWLEWSI-JTQLQIEISA-N 0 1 293.317 2.393 20 10 CECDMN C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783210 629639716 /nfs/dbraw/zinc/63/97/16/629639716.db2.gz QTWZINOWQXANEW-QMTHXVAHSA-N 0 1 284.350 2.442 20 10 CECDMN COc1cc(C)cc(CN[C@@H]2CCn3ccnc32)c1O ZINC000894871481 629708025 /nfs/dbraw/zinc/70/80/25/629708025.db2.gz VTZYEXNLLSVFMZ-GFCCVEGCSA-N 0 1 273.336 2.140 20 10 CECDMN CC(C)(C)OC(=O)C1CN(Cc2cc(F)cc(F)c2O)C1 ZINC000894970831 629773183 /nfs/dbraw/zinc/77/31/83/629773183.db2.gz MNVZHLIVIADXHU-UHFFFAOYSA-N 0 1 299.317 2.444 20 10 CECDMN OC[C@H]1CCCCC[N@H+]1Cc1cc(F)ccc1O ZINC000895150247 629966349 /nfs/dbraw/zinc/96/63/49/629966349.db2.gz IVJMXNVNGSBKJM-CYBMUJFWSA-N 0 1 253.317 2.268 20 10 CECDMN COCc1ncc2c(n1)CCN(Cc1c(C)cccc1O)C2 ZINC000895416936 630174662 /nfs/dbraw/zinc/17/46/62/630174662.db2.gz IAJYZZBVYBZBNZ-UHFFFAOYSA-N 0 1 299.374 2.195 20 10 CECDMN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895651245 630284600 /nfs/dbraw/zinc/28/46/00/630284600.db2.gz YXEQTCPBYFRETN-PRHODGIISA-N 0 1 274.147 2.266 20 10 CECDMN F[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824570301 635454229 /nfs/dbraw/zinc/45/42/29/635454229.db2.gz BODMPCALWWJKIV-CQSZACIVSA-N 0 1 264.344 2.067 20 10 CECDMN CC[C@@H]([NH2+][C@H](CO)CCOC)c1cc(Cl)ccc1[O-] ZINC000798941196 630955288 /nfs/dbraw/zinc/95/52/88/630955288.db2.gz WNIJPNBLCDFFNU-WCQYABFASA-N 0 1 287.787 2.484 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000304498860 631103008 /nfs/dbraw/zinc/10/30/08/631103008.db2.gz FRENAVJCQXPUSC-GFCCVEGCSA-N 0 1 267.712 2.462 20 10 CECDMN Cc1nc2cccc(C(=O)NCc3ccc(O)c(O)c3)c2[nH]1 ZINC000801927901 631358409 /nfs/dbraw/zinc/35/84/09/631358409.db2.gz GGLKHVOLQAPDFE-UHFFFAOYSA-N 0 1 297.314 2.213 20 10 CECDMN Cc1cccc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)c1O ZINC000322110874 631723791 /nfs/dbraw/zinc/72/37/91/631723791.db2.gz LHBRRDCJNXVMMV-LJQANCHMSA-N 0 1 281.421 2.434 20 10 CECDMN Cc1cccc(CN2CC[S@@](=O)C(C)(C)CC2)c1O ZINC000322110874 631723797 /nfs/dbraw/zinc/72/37/97/631723797.db2.gz LHBRRDCJNXVMMV-LJQANCHMSA-N 0 1 281.421 2.434 20 10 CECDMN Cc1ccc(O)c(CN2CC[S@@](=O)C(C)(C)CC2)c1 ZINC000322132672 631745131 /nfs/dbraw/zinc/74/51/31/631745131.db2.gz POQNXHQLQNZQNL-LJQANCHMSA-N 0 1 281.421 2.434 20 10 CECDMN CC[N@H+](CCC(=O)NC)Cc1c([O-])cc(C)cc1Cl ZINC000897708754 631880783 /nfs/dbraw/zinc/88/07/83/631880783.db2.gz CGHXBEJXHNSCLC-UHFFFAOYSA-N 0 1 284.787 2.312 20 10 CECDMN CC[N@@H+](CCC(=O)NC)Cc1c([O-])cc(C)cc1Cl ZINC000897708754 631880785 /nfs/dbraw/zinc/88/07/85/631880785.db2.gz CGHXBEJXHNSCLC-UHFFFAOYSA-N 0 1 284.787 2.312 20 10 CECDMN Cn1cnc(CNCc2ccc(Br)cc2O)c1 ZINC000898042261 632033909 /nfs/dbraw/zinc/03/39/09/632033909.db2.gz NLSWJFWWVMIPCR-UHFFFAOYSA-N 0 1 296.168 2.178 20 10 CECDMN Cn1cnc(C[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000898042261 632033912 /nfs/dbraw/zinc/03/39/12/632033912.db2.gz NLSWJFWWVMIPCR-UHFFFAOYSA-N 0 1 296.168 2.178 20 10 CECDMN CCOc1cccc(CNCc2cccc(OC)c2O)n1 ZINC000809740455 632135475 /nfs/dbraw/zinc/13/54/75/632135475.db2.gz ZFEIZUKFPMLVTM-UHFFFAOYSA-N 0 1 288.347 2.484 20 10 CECDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](O)C(F)(F)F ZINC000809751628 632141100 /nfs/dbraw/zinc/14/11/00/632141100.db2.gz UTBCUFMNAMDDEO-SECBINFHSA-N 0 1 283.677 2.401 20 10 CECDMN Oc1c(F)cc(Cl)cc1CN1CCO[C@H]2C[C@H]21 ZINC000814172349 632798151 /nfs/dbraw/zinc/79/81/51/632798151.db2.gz JGCFYHGVTWCOPS-MNOVXSKESA-N 0 1 257.692 2.158 20 10 CECDMN Cc1cc(CN(C)C[C@H](O)C(F)(F)F)ccc1N(C)C ZINC000815080004 632956150 /nfs/dbraw/zinc/95/61/50/632956150.db2.gz DESSQJDZUOLJGR-ZDUSSCGKSA-N 0 1 290.329 2.416 20 10 CECDMN CC[S@@](=O)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816551078 633411208 /nfs/dbraw/zinc/41/12/08/633411208.db2.gz 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/nfs/dbraw/zinc/52/14/03/635521403.db2.gz DZSQZPVMYTYPKM-LBPRGKRZSA-N 0 1 286.169 2.111 20 10 CECDMN C[C@]1(O)CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824905816 635521409 /nfs/dbraw/zinc/52/14/09/635521409.db2.gz DZSQZPVMYTYPKM-LBPRGKRZSA-N 0 1 286.169 2.111 20 10 CECDMN C[C@]1(O)CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824905816 635521412 /nfs/dbraw/zinc/52/14/12/635521412.db2.gz DZSQZPVMYTYPKM-LBPRGKRZSA-N 0 1 286.169 2.111 20 10 CECDMN NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000825284520 635605353 /nfs/dbraw/zinc/60/53/53/635605353.db2.gz NJFBAJKOLYWQSX-OCCSQVGLSA-N 0 1 284.359 2.289 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+][C@H](CO)C1CC1 ZINC000825290995 635606422 /nfs/dbraw/zinc/60/64/22/635606422.db2.gz BQXHZPSWLMDNLP-LLVKDONJSA-N 0 1 286.169 2.015 20 10 CECDMN [O-]c1c(F)cccc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904431576 635626385 /nfs/dbraw/zinc/62/63/85/635626385.db2.gz WWYAOUUNUPTOSY-OAHLLOKOSA-N 0 1 264.344 2.249 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1Cl ZINC000825752397 635707042 /nfs/dbraw/zinc/70/70/42/635707042.db2.gz ACFBIEJEBMZSRV-WCQYABFASA-N 0 1 299.798 2.089 20 10 CECDMN Cc1cc(O)c(CN2CC(CCO)C2)cc1Cl ZINC000826112800 635762355 /nfs/dbraw/zinc/76/23/55/635762355.db2.gz DLFAMKYATUUALK-UHFFFAOYSA-N 0 1 255.745 2.168 20 10 CECDMN CO[C@]1(CO)CCC[N@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000826952923 636170399 /nfs/dbraw/zinc/17/03/99/636170399.db2.gz XEHXELMPZKKUSR-OAHLLOKOSA-N 0 1 299.798 2.327 20 10 CECDMN CO[C@]1(CO)CCC[N@@H+](Cc2c([O-])cc(C)cc2Cl)C1 ZINC000826952923 636170409 /nfs/dbraw/zinc/17/04/09/636170409.db2.gz XEHXELMPZKKUSR-OAHLLOKOSA-N 0 1 299.798 2.327 20 10 CECDMN O=C1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CC[C@H]2N1 ZINC000827133054 636229163 /nfs/dbraw/zinc/22/91/63/636229163.db2.gz QVWZBCKVDCVYCV-ZWNOBZJWSA-N 0 1 294.782 2.146 20 10 CECDMN CCN1CCCC[C@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827930113 636461134 /nfs/dbraw/zinc/46/11/34/636461134.db2.gz BMZVQVKHJXGZCJ-OCCSQVGLSA-N 0 1 276.380 2.444 20 10 CECDMN COC[C@@H]1CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835056950 638042078 /nfs/dbraw/zinc/04/20/78/638042078.db2.gz WYXWJDHLQZSSKA-AWFCHZOYSA-N 0 1 260.381 2.487 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c(Cl)c1 ZINC000840898649 639576887 /nfs/dbraw/zinc/57/68/87/639576887.db2.gz IXVXXCDYTAPZSD-LLVKDONJSA-N 0 1 296.798 2.453 20 10 CECDMN CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000840995599 639610800 /nfs/dbraw/zinc/61/08/00/639610800.db2.gz XTFHROFFGGBTIW-UYWPIULCSA-N 0 1 274.364 2.315 20 10 CECDMN CCC[N@H+](CC(=O)[O-])Cc1cc(Cl)c(F)cc1O ZINC000840997811 639612099 /nfs/dbraw/zinc/61/20/99/639612099.db2.gz MBLOQBZIMUCBNR-UHFFFAOYSA-N 0 1 275.707 2.481 20 10 CECDMN CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)c(F)cc1O ZINC000840997811 639612104 /nfs/dbraw/zinc/61/21/04/639612104.db2.gz MBLOQBZIMUCBNR-UHFFFAOYSA-N 0 1 275.707 2.481 20 10 CECDMN COc1ccc(O)c([C@@H](C)NCc2cnc(C)cn2)c1 ZINC000061320125 639696500 /nfs/dbraw/zinc/69/65/00/639696500.db2.gz ZSIUWJOSPBYAKE-LLVKDONJSA-N 0 1 273.336 2.350 20 10 CECDMN CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841751274 639858229 /nfs/dbraw/zinc/85/82/29/639858229.db2.gz HBPQFXPNQRHQPX-VIFPVBQESA-N 0 1 270.760 2.175 20 10 CECDMN COC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841762699 639860045 /nfs/dbraw/zinc/86/00/45/639860045.db2.gz JSMFFSQWGMNZGK-RNCFNFMXSA-N 0 1 273.760 2.094 20 10 CECDMN [O-]c1c(C[NH2+][C@H]2CCc3cn[nH]c3C2)ccc(F)c1F ZINC000877084316 650564295 /nfs/dbraw/zinc/56/42/95/650564295.db2.gz LPGNXMHYQIKQMA-JTQLQIEISA-N 0 1 279.290 2.041 20 10 CECDMN C[NH2+][C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000843344611 640396415 /nfs/dbraw/zinc/39/64/15/640396415.db2.gz NQMQWXHPXANEMQ-GFCCVEGCSA-N 0 1 282.771 2.042 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c1[O-] ZINC000843364441 640405311 /nfs/dbraw/zinc/40/53/11/640405311.db2.gz IGBOMRCSZSTVJL-GXSJLCMTSA-N 0 1 296.798 2.417 20 10 CECDMN CC(=O)N1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C(C)(C)C1 ZINC000877172656 650610350 /nfs/dbraw/zinc/61/03/50/650610350.db2.gz VSYKITJTXRYIAC-UHFFFAOYSA-N 0 1 298.333 2.113 20 10 CECDMN CC(=O)N1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C(C)(C)C1 ZINC000877172656 650610352 /nfs/dbraw/zinc/61/03/52/650610352.db2.gz VSYKITJTXRYIAC-UHFFFAOYSA-N 0 1 298.333 2.113 20 10 CECDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000844838853 640849683 /nfs/dbraw/zinc/84/96/83/640849683.db2.gz IBIGYQDPBGCIIJ-LBPRGKRZSA-N 0 1 283.299 2.029 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846110816 641185847 /nfs/dbraw/zinc/18/58/47/641185847.db2.gz NZCPDRIXSPPWCA-CQSZACIVSA-N 0 1 285.771 2.067 20 10 CECDMN COc1cccc(CN(C)Cc2cccnc2)c1O ZINC000183660821 641776082 /nfs/dbraw/zinc/77/60/82/641776082.db2.gz KMHWPPVQCITJKE-UHFFFAOYSA-N 0 1 258.321 2.428 20 10 CECDMN CC[C@@H](C)NC(=[NH2+])NCc1cc(Cl)ccc1[O-] ZINC000849048791 642257492 /nfs/dbraw/zinc/25/74/92/642257492.db2.gz LMAUKUVYEUZMHN-MRVPVSSYSA-N 0 1 255.749 2.458 20 10 CECDMN CCCCNC(=[NH2+])NCc1cc(Cl)ccc1[O-] ZINC000849049999 642258274 /nfs/dbraw/zinc/25/82/74/642258274.db2.gz WNUGNEQOBKTQKT-UHFFFAOYSA-N 0 1 255.749 2.460 20 10 CECDMN COC[C@H](CC[NH2+]Cc1c([O-])cc(C)cc1Cl)OC ZINC000850345745 642674639 /nfs/dbraw/zinc/67/46/39/642674639.db2.gz JKQHLOMVSUNHGW-NSHDSACASA-N 0 1 287.787 2.495 20 10 CECDMN C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(Br)cc1[O-] ZINC000850578271 642755680 /nfs/dbraw/zinc/75/56/80/642755680.db2.gz IVBQDXXDKDEVHR-SZEHBUNVSA-N 0 1 286.169 2.329 20 10 CECDMN Cc1ccc(CN2CC[S@@](=O)C(C)(C)CC2)c(O)c1 ZINC000877569963 650794150 /nfs/dbraw/zinc/79/41/50/650794150.db2.gz BMXFMEZURFZFAY-LJQANCHMSA-N 0 1 281.421 2.434 20 10 CECDMN Cn1ncc2c1CN(Cc1cc(Cl)c(F)cc1O)C2 ZINC000877632604 650824191 /nfs/dbraw/zinc/82/41/91/650824191.db2.gz GXRXDXJFVCVMGU-UHFFFAOYSA-N 0 1 281.718 2.434 20 10 CECDMN CN(C)c1ccc(/C=C/CNCc2ncc[nH]2)cc1 ZINC000877674396 650844395 /nfs/dbraw/zinc/84/43/95/650844395.db2.gz VFZIPKZMURKWPU-ONEGZZNKSA-N 0 1 256.353 2.279 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CC[C@H](O)C(F)F)cc1Cl ZINC000877677039 650845294 /nfs/dbraw/zinc/84/52/94/650845294.db2.gz MOYIWGFIDIRTLY-JTQLQIEISA-N 0 1 279.714 2.460 20 10 CECDMN CNC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000853249364 643722016 /nfs/dbraw/zinc/72/20/16/643722016.db2.gz QCLAAEYIPKWGDN-SSDOTTSWSA-N 0 1 263.168 2.397 20 10 CECDMN C[C@]12COC[C@H]1C[N@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000853566079 643814593 /nfs/dbraw/zinc/81/45/93/643814593.db2.gz LGQRRMNXTSTPQM-DYVFJYSZSA-N 0 1 284.359 2.409 20 10 CECDMN C[C@]12COC[C@H]1C[N@@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000853566079 643814598 /nfs/dbraw/zinc/81/45/98/643814598.db2.gz LGQRRMNXTSTPQM-DYVFJYSZSA-N 0 1 284.359 2.409 20 10 CECDMN COc1ccc(O)c([C@H](C)NCc2cc(C)ncn2)c1 ZINC000756774274 644691377 /nfs/dbraw/zinc/69/13/77/644691377.db2.gz BLDZPYCPYYKOFU-NSHDSACASA-N 0 1 273.336 2.350 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1CO ZINC000857061309 644805957 /nfs/dbraw/zinc/80/59/57/644805957.db2.gz OGTNMWXQUPEDFZ-CMPLNLGQSA-N 0 1 269.772 2.496 20 10 CECDMN CN(Cc1cccc(O)c1)Cc1cc2c(cc1O)OCO2 ZINC000771935797 646573101 /nfs/dbraw/zinc/57/31/01/646573101.db2.gz YAPCZYYUGMPRFM-UHFFFAOYSA-N 0 1 287.315 2.459 20 10 CECDMN C[C@H](NC(=O)[C@H]1CCCN1C)c1ccc(N(C)C)cc1 ZINC000773021716 646697091 /nfs/dbraw/zinc/69/70/91/646697091.db2.gz BJOUXAQYAAFXPV-SWLSCSKDSA-N 0 1 275.396 2.024 20 10 CECDMN C[C@H](NCc1ccno1)c1ccc(N2CCOCC2)cc1 ZINC000775258112 646935696 /nfs/dbraw/zinc/93/56/96/646935696.db2.gz QNDZQHWLDHMLJY-ZDUSSCGKSA-N 0 1 287.363 2.362 20 10 CECDMN C[C@@H](NC(=O)[C@H]1CCCCN1C)c1ccc(N(C)C)cc1 ZINC000775402507 646950447 /nfs/dbraw/zinc/95/04/47/646950447.db2.gz DUDLSUAQDJCDGF-CZUORRHYSA-N 0 1 289.423 2.414 20 10 CECDMN CCc1nnc2n1CCN(Cc1cccc(Cl)c1O)C2 ZINC000775629364 646973138 /nfs/dbraw/zinc/97/31/38/646973138.db2.gz DVMRVJPWTYRHET-UHFFFAOYSA-N 0 1 292.770 2.215 20 10 CECDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]1CO ZINC000775660516 646977653 /nfs/dbraw/zinc/97/76/53/646977653.db2.gz FSFTXFSHWRUHJP-JTQLQIEISA-N 0 1 259.708 2.141 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1[O-] ZINC000782624077 647645678 /nfs/dbraw/zinc/64/56/78/647645678.db2.gz IYPIZGZGDFTJOX-ABAIWWIYSA-N 0 1 295.766 2.062 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1[O-] ZINC000782624077 647645680 /nfs/dbraw/zinc/64/56/80/647645680.db2.gz IYPIZGZGDFTJOX-ABAIWWIYSA-N 0 1 295.766 2.062 20 10 CECDMN Oc1ccccc1CNCc1ncnn1-c1ccccc1 ZINC000785524957 647934484 /nfs/dbraw/zinc/93/44/84/647934484.db2.gz DHDHZXDYHDTIMV-UHFFFAOYSA-N 0 1 280.331 2.263 20 10 CECDMN CCc1cc(O)ccc1NS(=O)(=O)c1cncc(F)c1 ZINC000790415710 648414453 /nfs/dbraw/zinc/41/44/53/648414453.db2.gz IKQDTCCHFAWEHQ-UHFFFAOYSA-N 0 1 296.323 2.290 20 10 CECDMN C[NH2+]CCCN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000124716463 649728247 /nfs/dbraw/zinc/72/82/47/649728247.db2.gz XKBCOKOOJWOBSO-UHFFFAOYSA-N 0 1 284.787 2.290 20 10 CECDMN CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(C)C)cc1F ZINC000874448586 649776488 /nfs/dbraw/zinc/77/64/88/649776488.db2.gz VKFVWEQMMQXBAU-GFCCVEGCSA-N 0 1 295.402 2.238 20 10 CECDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000881431549 651720609 /nfs/dbraw/zinc/72/06/09/651720609.db2.gz UEXIGOHBDHSRAH-MFKMUULPSA-N 0 1 297.358 2.324 20 10 CECDMN C[C@H]1CCc2n[nH]c(C(=O)NCCc3ccc(N)cc3)c2C1 ZINC000884028278 652640133 /nfs/dbraw/zinc/64/01/33/652640133.db2.gz BYJNNBMJRXAPKV-NSHDSACASA-N 0 1 298.390 2.089 20 10 CECDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000884441907 652852877 /nfs/dbraw/zinc/85/28/77/652852877.db2.gz SHPNSGSKHSXUKF-BONVTDFDSA-N 0 1 284.363 2.321 20 10 CECDMN CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527213 806620514 /nfs/dbraw/zinc/62/05/14/806620514.db2.gz OOFZQIUMHMUWPI-CYBMUJFWSA-N 0 1 271.307 2.406 20 10 CECDMN COc1ccc(CNCC(=O)NCc2ccco2)cc1C ZINC000030642594 802634448 /nfs/dbraw/zinc/63/44/48/802634448.db2.gz PTVQEFPIEALRSP-UHFFFAOYSA-N 0 1 288.347 2.003 20 10 CECDMN C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CO1 ZINC000402293431 802824757 /nfs/dbraw/zinc/82/47/57/802824757.db2.gz NPXQYYQPOLRZJZ-KCJUWKMLSA-N 0 1 286.169 2.422 20 10 CECDMN C/C=C\C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000588489610 803080325 /nfs/dbraw/zinc/08/03/25/803080325.db2.gz ZUKUVFAVKYBUTE-ZZKXABKFSA-N 0 1 255.745 2.462 20 10 CECDMN COc1cc([O-])c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)cc1Cl ZINC001232266364 807238906 /nfs/dbraw/zinc/23/89/06/807238906.db2.gz LZDXNYWRVQSOEI-KOLCDFICSA-N 0 1 285.771 2.399 20 10 CECDMN COc1cc([O-])c(C[N@H+]2C[C@@H](O)CC[C@H]2C)cc1Cl ZINC001232266364 807238911 /nfs/dbraw/zinc/23/89/11/807238911.db2.gz LZDXNYWRVQSOEI-KOLCDFICSA-N 0 1 285.771 2.399 20 10 CECDMN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1csnn1 ZINC000703276743 809634536 /nfs/dbraw/zinc/63/45/36/809634536.db2.gz YTDFQIMGSQNVMT-ZCFIWIBFSA-N 0 1 271.292 2.373 20 10 CECDMN CC[C@H]([NH2+]Cc1c([O-])cccc1Br)[C@H](C)O ZINC000706831397 809856649 /nfs/dbraw/zinc/85/66/49/809856649.db2.gz CKAVPEPDDAPNOQ-KWQFWETISA-N 0 1 288.185 2.404 20 10 CECDMN [O-]c1cccc(Br)c1C[NH2+]C1CCOCC1 ZINC000706863857 809858545 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CECDMN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2[C@H](C)O)c1O ZINC000267473893 372074379 /nfs/dbraw/zinc/07/43/79/372074379.db2.gz ZTKPVPCNOKJBIP-NHYWBVRUSA-N 0 1 295.354 2.469 20 10 CECDMN CCOCCOC1CN(Cc2cccc(Cl)c2O)C1 ZINC000272428438 373480925 /nfs/dbraw/zinc/48/09/25/373480925.db2.gz PVJIZRWZWAWYSY-UHFFFAOYSA-N 0 1 285.771 2.283 20 10 CECDMN Cc1cc(O)c(CN2CCC[C@@H](S(C)(=O)=O)C2)cc1C ZINC000273904385 373776527 /nfs/dbraw/zinc/77/65/27/373776527.db2.gz GDXPODJEXLYXCQ-CQSZACIVSA-N 0 1 297.420 2.018 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@H+](CCO)C1CCOCC1 ZINC000275996562 374222410 /nfs/dbraw/zinc/22/24/10/374222410.db2.gz OHBUEAQUQYCRSE-UHFFFAOYSA-N 0 1 285.771 2.019 20 10 CECDMN CN(C)c1ccc(C2=CCN(Cc3cnn(C)c3)C2)cc1 ZINC000374783922 374629970 /nfs/dbraw/zinc/62/99/70/374629970.db2.gz RVEBXVCHTAHTEE-UHFFFAOYSA-N 0 1 282.391 2.385 20 10 CECDMN CCOc1cccc(CN(C(C)C)C2COC2)c1O ZINC000296074593 378409642 /nfs/dbraw/zinc/40/96/42/378409642.db2.gz QCHRKTLUDJROKQ-UHFFFAOYSA-N 0 1 265.353 2.400 20 10 CECDMN CCn1ccnc1CN[C@H]1CCc2cccc(O)c21 ZINC000296452880 378537019 /nfs/dbraw/zinc/53/70/19/378537019.db2.gz MVXNVKILYRJTJG-LBPRGKRZSA-N 0 1 257.337 2.386 20 10 CECDMN CC(C)[N@@H+](CC(=O)NC1CC1)Cc1ccc(N(C)C)cc1 ZINC000298688519 378801080 /nfs/dbraw/zinc/80/10/80/378801080.db2.gz CEIFSOSBTFGIJQ-UHFFFAOYSA-N 0 1 289.423 2.242 20 10 CECDMN CC(C)N(CC(=O)NC1CC1)Cc1ccc(N(C)C)cc1 ZINC000298688519 378801083 /nfs/dbraw/zinc/80/10/83/378801083.db2.gz CEIFSOSBTFGIJQ-UHFFFAOYSA-N 0 1 289.423 2.242 20 10 CECDMN C[N@@H+](Cc1ccccc1O)[C@H]1Cc2ccccc2[C@@H]1O ZINC000182899125 395250417 /nfs/dbraw/zinc/25/04/17/395250417.db2.gz RBSQWFADHBJVNR-RDJZCZTQSA-N 0 1 269.344 2.482 20 10 CECDMN Cc1cccc(CN2CCNC(=O)[C@H]2CC(C)C)c1O ZINC000188922725 395322125 /nfs/dbraw/zinc/32/21/25/395322125.db2.gz OEFRNZJXVUTMSC-CQSZACIVSA-N 0 1 276.380 2.047 20 10 CECDMN CN(C)[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000160247257 261209385 /nfs/dbraw/zinc/20/93/85/261209385.db2.gz GUUOXRFPCNYWRI-LBPRGKRZSA-N 0 1 252.333 2.057 20 10 CECDMN 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ILRVJDGRWQWZHW-LLVKDONJSA-N 0 1 296.798 2.312 20 10 CECDMN CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824796475 635499450 /nfs/dbraw/zinc/49/94/50/635499450.db2.gz ILRVJDGRWQWZHW-LLVKDONJSA-N 0 1 296.798 2.312 20 10 CECDMN O=C([O-])N[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2F)C12CCC2 ZINC000904257910 635543237 /nfs/dbraw/zinc/54/32/37/635543237.db2.gz GDZNOUOWPVGALG-STQMWFEESA-N 0 1 294.326 2.200 20 10 CECDMN CC(=O)N1CCC([NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825063826 635556702 /nfs/dbraw/zinc/55/67/02/635556702.db2.gz HOVAOSVHHKUWMA-UHFFFAOYSA-N 0 1 296.798 2.455 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)C2CCOCC2)cc1Cl ZINC000825287730 635606784 /nfs/dbraw/zinc/60/67/84/635606784.db2.gz LURQVHMVWBZIPH-OAHLLOKOSA-N 0 1 299.798 2.231 20 10 CECDMN CC[C@H]([NH2+]Cc1ccc2ccccc2c1[O-])C(=O)NC ZINC000825316241 635613495 /nfs/dbraw/zinc/61/34/95/635613495.db2.gz MMXSLNVNMMRAPP-AWEZNQCLSA-N 0 1 272.348 2.160 20 10 CECDMN C[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000825315448 635613636 /nfs/dbraw/zinc/61/36/36/635613636.db2.gz AUIDHNGDPCIFKL-WCBMZHEXSA-N 0 1 273.735 2.387 20 10 CECDMN CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825671398 635691776 /nfs/dbraw/zinc/69/17/76/635691776.db2.gz IRRKCSYRUSZYIR-JTQLQIEISA-N 0 1 284.787 2.310 20 10 CECDMN O=C1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])CC[C@@H]2N1 ZINC000827140146 636234254 /nfs/dbraw/zinc/23/42/54/636234254.db2.gz IFXABRRMONNGTE-GWCFXTLKSA-N 0 1 294.782 2.146 20 10 CECDMN O=C1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])CC[C@@H]2N1 ZINC000827140146 636234262 /nfs/dbraw/zinc/23/42/62/636234262.db2.gz IFXABRRMONNGTE-GWCFXTLKSA-N 0 1 294.782 2.146 20 10 CECDMN COC(=O)N(C)CC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000827376866 636310552 /nfs/dbraw/zinc/31/05/52/636310552.db2.gz JNZSXFTYIUYNCT-UHFFFAOYSA-N 0 1 286.759 2.142 20 10 CECDMN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])[C@]1(O)CCCOC1 ZINC000827595182 636362337 /nfs/dbraw/zinc/36/23/37/636362337.db2.gz MDZWPFIMJXLQMD-INIZCTEOSA-N 0 1 297.370 2.189 20 10 CECDMN C[C@@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccccc1O ZINC000827923208 636459807 /nfs/dbraw/zinc/45/98/07/636459807.db2.gz LVMRGEQLCMUXLL-SNVBAGLBSA-N 0 1 285.347 2.485 20 10 CECDMN C[C@H](NC(=O)[C@@H]1CCCCN1C)c1ccccc1O ZINC000827969053 636473481 /nfs/dbraw/zinc/47/34/81/636473481.db2.gz HHXXRBLQNPCBOT-AAEUAGOBSA-N 0 1 262.353 2.054 20 10 CECDMN C[C@H](NC(=O)CCCCc1cn[nH]n1)c1ccccc1O ZINC000827970173 636474884 /nfs/dbraw/zinc/47/48/84/636474884.db2.gz YNMOPYXPPULXAQ-NSHDSACASA-N 0 1 288.351 2.101 20 10 CECDMN C[C@H](NC(=O)CN(C)[C@@H]1CCSC1)c1ccccc1O ZINC000827973698 636475875 /nfs/dbraw/zinc/47/58/75/636475875.db2.gz WWDQULZGVCACOF-NWDGAFQWSA-N 0 1 294.420 2.007 20 10 CECDMN Cc1cccc(O)c1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000876798148 650436745 /nfs/dbraw/zinc/43/67/45/650436745.db2.gz FHHQRIOSJPFQPR-DZGCQCFKSA-N 0 1 279.405 2.407 20 10 CECDMN COc1cc(C)cc(CN(C)Cc2cnn(C)c2)c1O ZINC000163997945 639340270 /nfs/dbraw/zinc/34/02/70/639340270.db2.gz MPXBOJPEXFJDGF-UHFFFAOYSA-N 0 1 275.352 2.075 20 10 CECDMN CC(C)CN1CC(=O)N[C@H]1c1cc(Cl)c(F)cc1O ZINC000840800302 639545875 /nfs/dbraw/zinc/54/58/75/639545875.db2.gz LOHCSSHEIXVQGW-CYBMUJFWSA-N 0 1 286.734 2.271 20 10 CECDMN CC[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1cc(Cl)ccc1[O-] ZINC000840833747 639556484 /nfs/dbraw/zinc/55/64/84/639556484.db2.gz PJKRJVYMUUFRQM-CABZTGNLSA-N 0 1 282.771 2.222 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCn2cccn2)c(Cl)c1 ZINC000840883745 639572706 /nfs/dbraw/zinc/57/27/06/639572706.db2.gz XBNLHMAUMWKCBI-UHFFFAOYSA-N 0 1 265.744 2.340 20 10 CECDMN COC[C@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)OC ZINC000840937655 639592228 /nfs/dbraw/zinc/59/22/28/639592228.db2.gz UDEYHEBBOAUDSJ-JTQLQIEISA-N 0 1 273.760 2.105 20 10 CECDMN COc1ccc(O)c(CN2CC(CO)(c3ccccc3)C2)c1 ZINC000840970909 639604869 /nfs/dbraw/zinc/60/48/69/639604869.db2.gz XRYHVOXNTTXMRI-UHFFFAOYSA-N 0 1 299.370 2.147 20 10 CECDMN CN(C)c1ccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1F ZINC000840998418 639611996 /nfs/dbraw/zinc/61/19/96/639611996.db2.gz COWXJGYEOJJXHR-HNNXBMFYSA-N 0 1 280.343 2.188 20 10 CECDMN COCCN(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747110 639857219 /nfs/dbraw/zinc/85/72/19/639857219.db2.gz NUFRCGSVDGPDON-LLVKDONJSA-N 0 1 286.803 2.274 20 10 CECDMN CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841751273 639857902 /nfs/dbraw/zinc/85/79/02/639857902.db2.gz HBPQFXPNQRHQPX-SECBINFHSA-N 0 1 270.760 2.175 20 10 CECDMN C[C@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@H]1[NH3+] ZINC000843052028 640254921 /nfs/dbraw/zinc/25/49/21/640254921.db2.gz OROTUMJYBITVGJ-JOYOIKCWSA-N 0 1 254.761 2.215 20 10 CECDMN COC(=O)[C@@H](C)C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000877170596 650608187 /nfs/dbraw/zinc/60/81/87/650608187.db2.gz QSHWLXBVIHBNAD-VIFPVBQESA-N 0 1 299.317 2.444 20 10 CECDMN CCN1C[C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1=O ZINC000846207500 641221639 /nfs/dbraw/zinc/22/16/39/641221639.db2.gz CFUZFEQEIJLQCJ-WDEREUQCSA-N 0 1 280.343 2.050 20 10 CECDMN CCN(C)c1ccc(C[N@@H+](CC)CC(=O)[O-])cc1 ZINC000846265346 641247908 /nfs/dbraw/zinc/24/79/08/641247908.db2.gz GVGCYTBARJUXSF-UHFFFAOYSA-N 0 1 250.342 2.049 20 10 CECDMN CCc1cccc(CN2CCN(c3ncccn3)CC2)c1O ZINC000848875975 642164333 /nfs/dbraw/zinc/16/43/33/642164333.db2.gz DJPCRQITDXABIU-UHFFFAOYSA-N 0 1 298.390 2.067 20 10 CECDMN CCc1cccc(CN2CC[C@H](C)[S@](=O)CC2)c1O ZINC000848905699 642183102 /nfs/dbraw/zinc/18/31/02/642183102.db2.gz LFHNILJNSCQYHG-HXPMCKFVSA-N 0 1 281.421 2.298 20 10 CECDMN C[C@]1(CO)CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877459737 650728666 /nfs/dbraw/zinc/72/86/66/650728666.db2.gz KGFKRVQMBDKRKE-CYBMUJFWSA-N 0 1 257.280 2.017 20 10 CECDMN CCc1cccc(CN[C@@H]2CCn3ccnc32)c1O ZINC000848914805 642188524 /nfs/dbraw/zinc/18/85/24/642188524.db2.gz SWSTUJDWPLUTHL-CYBMUJFWSA-N 0 1 257.337 2.386 20 10 CECDMN CC1(C)C[N@@H+](Cc2ccc(F)c(F)c2[O-])CC[C@@H]1O ZINC000877462930 650730944 /nfs/dbraw/zinc/73/09/44/650730944.db2.gz WTRCJHRZGXSQDF-NSHDSACASA-N 0 1 271.307 2.263 20 10 CECDMN CCc1nc([C@@H](C)OC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000849728289 642424031 /nfs/dbraw/zinc/42/40/31/642424031.db2.gz PSBVGTKRXIPDPO-ZCFIWIBFSA-N 0 1 267.310 2.052 20 10 CECDMN CC[N@H+]1CCN(Cc2ccc(F)c(F)c2[O-])[C@H](C)C1 ZINC000877516387 650761274 /nfs/dbraw/zinc/76/12/74/650761274.db2.gz DQUIPRLJKIFNLQ-SNVBAGLBSA-N 0 1 270.323 2.196 20 10 CECDMN CO[C@H](C[NH2+]Cc1c([O-])cccc1Cl)[C@@H]1CCOC1 ZINC000850343764 642674406 /nfs/dbraw/zinc/67/44/06/642674406.db2.gz WNXPKAYABRKIAZ-QMTHXVAHSA-N 0 1 285.771 2.187 20 10 CECDMN COC(=O)N(C)CC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000850389931 642696525 /nfs/dbraw/zinc/69/65/25/642696525.db2.gz MGGHSEADTBROEK-UHFFFAOYSA-N 0 1 286.759 2.142 20 10 CECDMN Cc1cc(C[N@@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1N(C)C ZINC000851709863 643119412 /nfs/dbraw/zinc/11/94/12/643119412.db2.gz ZXYXPBVGESNMIR-OKILXGFUSA-N 0 1 276.380 2.356 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2[C@H](C)O)c1[O-] ZINC000852559186 643471881 /nfs/dbraw/zinc/47/18/81/643471881.db2.gz GZUWALKXARUOPF-IINYFYTJSA-N 0 1 281.327 2.079 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)c1[O-] ZINC000852559186 643471885 /nfs/dbraw/zinc/47/18/85/643471885.db2.gz GZUWALKXARUOPF-IINYFYTJSA-N 0 1 281.327 2.079 20 10 CECDMN CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877674962 650845433 /nfs/dbraw/zinc/84/54/33/650845433.db2.gz OPNWCAHGEYGMDS-GFCCVEGCSA-N 0 1 298.333 2.161 20 10 CECDMN O=C([O-])[C@H](C[NH2+]Cc1cccc(F)c1O)C1CCC1 ZINC000854245806 644021907 /nfs/dbraw/zinc/02/19/07/644021907.db2.gz DGZOFRCYICCXMW-LLVKDONJSA-N 0 1 267.300 2.122 20 10 CECDMN CC1(C)C[C@H](O)C[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877751492 650895194 /nfs/dbraw/zinc/89/51/94/650895194.db2.gz BSQPLRFIOJOIRQ-JTQLQIEISA-N 0 1 271.307 2.263 20 10 CECDMN C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(Cl)ccc1[O-] ZINC000756510456 644657042 /nfs/dbraw/zinc/65/70/42/644657042.db2.gz IJYAJHXYSVULSO-MFKMUULPSA-N 0 1 299.798 2.484 20 10 CECDMN Cc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])ncn1 ZINC000756990216 644715912 /nfs/dbraw/zinc/71/59/12/644715912.db2.gz IZAGYEMKYAUABC-UHFFFAOYSA-N 0 1 263.728 2.434 20 10 CECDMN Cc1cc(CNCc2cc(Cl)ccc2O)ncn1 ZINC000756990216 644715914 /nfs/dbraw/zinc/71/59/14/644715914.db2.gz IZAGYEMKYAUABC-UHFFFAOYSA-N 0 1 263.728 2.434 20 10 CECDMN Cc1cc(N(C)C)ccc1CN1CCc2n[nH]cc2C1 ZINC000857878017 644994523 /nfs/dbraw/zinc/99/45/23/644994523.db2.gz RVOPRNCHUVQSEF-UHFFFAOYSA-N 0 1 270.380 2.342 20 10 CECDMN C[C@@H](Cn1cccn1)NCc1cc(F)c(N(C)C)cc1F ZINC000858095616 645058973 /nfs/dbraw/zinc/05/89/73/645058973.db2.gz RIKSAGGOGMGQFI-NSHDSACASA-N 0 1 294.349 2.406 20 10 CECDMN C[C@H](Cn1cccn1)NCc1cc(F)c(N(C)C)cc1F ZINC000858095615 645059286 /nfs/dbraw/zinc/05/92/86/645059286.db2.gz RIKSAGGOGMGQFI-LLVKDONJSA-N 0 1 294.349 2.406 20 10 CECDMN CCOc1ccc(CN2CCCC3(C2)OCCO3)c(O)c1 ZINC000761215473 645257886 /nfs/dbraw/zinc/25/78/86/645257886.db2.gz QDNGMDJUTQTMMK-UHFFFAOYSA-N 0 1 293.363 2.130 20 10 CECDMN COc1cccc(O)c1CN1C[C@@H](C)OC(C)(C)C1 ZINC000769101694 646206427 /nfs/dbraw/zinc/20/64/27/646206427.db2.gz UJDYSRWCKMZKDV-LLVKDONJSA-N 0 1 265.353 2.400 20 10 CECDMN CCOc1ccc(CN2CCO[C@H](C)[C@H]2C)c(O)c1 ZINC000769423470 646264199 /nfs/dbraw/zinc/26/41/99/646264199.db2.gz RXKLZSJAXJBCQB-VXGBXAGGSA-N 0 1 265.353 2.400 20 10 CECDMN CN(Cc1ccc[nH]1)Cc1cc2c(cc1O)OCO2 ZINC000769544107 646284620 /nfs/dbraw/zinc/28/46/20/646284620.db2.gz ULLREPBOFCHSCP-UHFFFAOYSA-N 0 1 260.293 2.081 20 10 CECDMN C[C@@H](O)CCN(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862246637 646379700 /nfs/dbraw/zinc/37/97/00/646379700.db2.gz LSQGBFMRPWCNEF-SNVBAGLBSA-N 0 1 272.339 2.234 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000770752357 646434475 /nfs/dbraw/zinc/43/44/75/646434475.db2.gz NMLUBMIOKFMOPD-XHDPSFHLSA-N 0 1 297.782 2.473 20 10 CECDMN CN(C)c1cc(F)c(CN2C[C@H]3COC[C@]3(C)C2)cc1F ZINC000862416058 646450864 /nfs/dbraw/zinc/45/08/64/646450864.db2.gz LOSMWPMYIGVAOA-LRDDRELGSA-N 0 1 296.361 2.499 20 10 CECDMN CC[C@H]([NH2+]C[C@](C)(O)COC)c1cc(Cl)ccc1[O-] ZINC000775504284 646960581 /nfs/dbraw/zinc/96/05/81/646960581.db2.gz XHFFVYLNBHNNHP-JSGCOSHPSA-N 0 1 287.787 2.484 20 10 CECDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCOC1 ZINC000775678238 646979863 /nfs/dbraw/zinc/97/98/63/646979863.db2.gz XGAAUAGKIYNWNO-SNVBAGLBSA-N 0 1 259.708 2.405 20 10 CECDMN C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1cccc(Cl)c1O ZINC000775712684 646983339 /nfs/dbraw/zinc/98/33/39/646983339.db2.gz BEMMAHJYFQOSHR-AUSHCKSDSA-N 0 1 287.812 2.387 20 10 CECDMN C[C@@H]1C[C@H]1NC(=[NH2+])NCc1cc(Cl)ccc1[O-] ZINC000864470516 647024027 /nfs/dbraw/zinc/02/40/27/647024027.db2.gz ZWHFVUORCSGADH-GMSGAONNSA-N 0 1 253.733 2.068 20 10 CECDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](O)C(F)(F)F ZINC000865711811 647434229 /nfs/dbraw/zinc/43/42/29/647434229.db2.gz RBBUYFJXUDIPQW-LDWIPMOCSA-N 0 1 283.677 2.447 20 10 CECDMN C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000780787562 647471164 /nfs/dbraw/zinc/47/11/64/647471164.db2.gz VYBROLNIGNDUBS-RKDXNWHRSA-N 0 1 273.735 2.387 20 10 CECDMN C[C@@H](N[C@H](C)c1cc(F)cc(F)c1O)c1ncn(C)n1 ZINC000783300779 647707360 /nfs/dbraw/zinc/70/73/60/647707360.db2.gz XNMXFZGGWDMTSG-HTQZYQBOSA-N 0 1 282.294 2.211 20 10 CECDMN C[N@H+]1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792161372 648617197 /nfs/dbraw/zinc/61/71/97/648617197.db2.gz GIJMXZFRCRYGAH-UHFFFAOYSA-N 0 1 272.751 2.322 20 10 CECDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+](CCO)CC1CC1 ZINC000792167553 648618379 /nfs/dbraw/zinc/61/83/79/648618379.db2.gz WBOCBKBJSFUSRA-UHFFFAOYSA-N 0 1 273.735 2.389 20 10 CECDMN Oc1ccc(Cl)c(F)c1CN1C[C@@H](O)CC(F)(F)C1 ZINC000792179071 648619838 /nfs/dbraw/zinc/61/98/38/648619838.db2.gz FOHSURKCUAFHKP-ZETCQYMHSA-N 0 1 295.688 2.387 20 10 CECDMN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CC(O)C1 ZINC000792174089 648620004 /nfs/dbraw/zinc/62/00/04/648620004.db2.gz GJUAIAMMCZOYDX-UHFFFAOYSA-N 0 1 259.708 2.140 20 10 CECDMN C[N@@H+](CCCCO)Cc1c([O-])ccc(Cl)c1F ZINC000792180671 648620340 /nfs/dbraw/zinc/62/03/40/648620340.db2.gz RNFZZGOTKIPRNU-UHFFFAOYSA-N 0 1 261.724 2.389 20 10 CECDMN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C[NH3+] ZINC000873215362 649593012 /nfs/dbraw/zinc/59/30/12/649593012.db2.gz DFUSTYCPANSJFN-PSASIEDQSA-N 0 1 272.751 2.211 20 10 CECDMN COc1ccc(N2CCN(CCCF)CC2)c(OC)c1 ZINC000879461901 651306763 /nfs/dbraw/zinc/30/67/63/651306763.db2.gz ISNBFAGSSFIOSO-UHFFFAOYSA-N 0 1 282.359 2.185 20 10 CECDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000881431548 651720415 /nfs/dbraw/zinc/72/04/15/651720415.db2.gz UEXIGOHBDHSRAH-GXFFZTMASA-N 0 1 297.358 2.324 20 10 CECDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000134753679 652871676 /nfs/dbraw/zinc/87/16/76/652871676.db2.gz FYHDSLMLZXNCOD-SNVBAGLBSA-N 0 1 286.169 2.030 20 10 CECDMN [O-]c1cc(F)c(F)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001142520756 806614362 /nfs/dbraw/zinc/61/43/62/806614362.db2.gz PIIMIILEGNQSAD-GFCCVEGCSA-N 0 1 282.334 2.341 20 10 CECDMN [O-]c1cc(F)c(F)cc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001142520756 806614366 /nfs/dbraw/zinc/61/43/66/806614366.db2.gz PIIMIILEGNQSAD-GFCCVEGCSA-N 0 1 282.334 2.341 20 10 CECDMN [O-]c1cc(F)c(F)cc1CN1CC[NH+](C2CCC2)CC1 ZINC001142509006 806609173 /nfs/dbraw/zinc/60/91/73/806609173.db2.gz SSRGFQIHNNNSTP-UHFFFAOYSA-N 0 1 282.334 2.341 20 10 CECDMN C[C@@H](O)C(C)(C)[NH2+]Cc1c([O-])cccc1Br ZINC000706875245 802847782 /nfs/dbraw/zinc/84/77/82/802847782.db2.gz ROCLDPUIRMJJLR-MRVPVSSYSA-N 0 1 288.185 2.404 20 10 CECDMN C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])CC[C@H]1O ZINC001140462897 802936957 /nfs/dbraw/zinc/93/69/57/802936957.db2.gz NPDZMEOTBDZKMQ-JOYOIKCWSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])CC[C@H]1O ZINC001140462897 802936961 /nfs/dbraw/zinc/93/69/61/802936961.db2.gz NPDZMEOTBDZKMQ-JOYOIKCWSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@H]1CC(=O)CCN1Cc1c(O)cc(F)cc1F ZINC001140582516 803177996 /nfs/dbraw/zinc/17/79/96/803177996.db2.gz JMQFQWHDBRCWQU-QMMMGPOBSA-N 0 1 255.264 2.224 20 10 CECDMN CN(Cc1c[nH]nn1)Cc1ccc(N2CCCC2)cc1 ZINC001203205560 803231565 /nfs/dbraw/zinc/23/15/65/803231565.db2.gz FRVBVLSOVFMNAK-UHFFFAOYSA-N 0 1 271.368 2.037 20 10 CECDMN C[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc2ccccc2c1[O-] ZINC000693853281 803368270 /nfs/dbraw/zinc/36/82/70/803368270.db2.gz WRAKAHLWRRUQOP-YGRLFVJLSA-N 0 1 270.332 2.085 20 10 CECDMN CCN1CC[C@H]1C[NH2+]Cc1c([O-])cccc1Br ZINC000712597701 814756513 /nfs/dbraw/zinc/75/65/13/814756513.db2.gz ZYEUWIGBXLWVBD-JTQLQIEISA-N 0 1 299.212 2.339 20 10 CECDMN COc1ccc(CN[C@H]2CCN(C(C)C)C2=O)cc1C ZINC000708677172 803467258 /nfs/dbraw/zinc/46/72/58/803467258.db2.gz ZBYPMMBYNBBCQQ-AWEZNQCLSA-N 0 1 276.380 2.103 20 10 CECDMN CC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233335254 807395154 /nfs/dbraw/zinc/39/51/54/807395154.db2.gz NRIWLHJAYPLJDU-JTQLQIEISA-N 0 1 269.291 2.471 20 10 CECDMN [NH3+][C@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001205124371 807720591 /nfs/dbraw/zinc/72/05/91/807720591.db2.gz PKQMAXGLAVCOGR-NSHDSACASA-N 0 1 272.751 2.498 20 10 CECDMN C[C@H](CCO)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691405461 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[O-]c1cc(Br)ccc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000707674270 809917224 /nfs/dbraw/zinc/91/72/24/809917224.db2.gz SKZSPTUQGKYUTR-DKTWLAJQSA-N 0 1 286.169 2.015 20 10 CECDMN [O-]c1c(F)cc(F)cc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000708481627 809929690 /nfs/dbraw/zinc/92/96/90/809929690.db2.gz RWSXYHXSFWCBFA-KBPBESRZSA-N 0 1 282.334 2.387 20 10 CECDMN [O-]c1c(F)cc(F)cc1CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000708481627 809929692 /nfs/dbraw/zinc/92/96/92/809929692.db2.gz RWSXYHXSFWCBFA-KBPBESRZSA-N 0 1 282.334 2.387 20 10 CECDMN CN1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708501078 809943876 /nfs/dbraw/zinc/94/38/76/809943876.db2.gz ASMOQKSFEYDFNS-SNVBAGLBSA-N 0 1 270.323 2.102 20 10 CECDMN C[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000829431591 810869378 /nfs/dbraw/zinc/86/93/78/810869378.db2.gz ISZSPOWFXDWUDC-KCJUWKMLSA-N 0 1 286.169 2.279 20 10 CECDMN CC[C@@](C)(O)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691452238 811858358 /nfs/dbraw/zinc/85/83/58/811858358.db2.gz FFLLXVLWKYXVCO-GFCCVEGCSA-N 0 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ZINC000862211393 646364532 /nfs/dbraw/zinc/36/45/32/646364532.db2.gz IJSBESMPHANZAY-VIFPVBQESA-N 0 1 286.169 2.111 20 10 CECDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H](O)C1 ZINC000862211393 646364536 /nfs/dbraw/zinc/36/45/36/646364536.db2.gz IJSBESMPHANZAY-VIFPVBQESA-N 0 1 286.169 2.111 20 10 CECDMN CC[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@H]1O ZINC000862253783 646383087 /nfs/dbraw/zinc/38/30/87/646383087.db2.gz SNIDHYFQROJIMU-MEBBXXQBSA-N 0 1 284.350 2.234 20 10 CECDMN C[C@@H](O)CN(Cc1cc(F)c(N(C)C)cc1F)C1CC1 ZINC000862407234 646442721 /nfs/dbraw/zinc/44/27/21/646442721.db2.gz VWYLBERGVXHGKN-SNVBAGLBSA-N 0 1 284.350 2.376 20 10 CECDMN CN(Cc1ccc(N2CCCCC2)cc1)Cn1cnnc1 ZINC000118979435 646515352 /nfs/dbraw/zinc/51/53/52/646515352.db2.gz ISOJITYAYZJNDX-UHFFFAOYSA-N 0 1 285.395 2.358 20 10 CECDMN COc1ccc(O)c([C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC000863865623 646838623 /nfs/dbraw/zinc/83/86/23/646838623.db2.gz IGTORJGPNNLKOF-NSHDSACASA-N 0 1 292.379 2.062 20 10 CECDMN C[C@H](NCC(=O)Nc1ccon1)c1ccc(N(C)C)cc1 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C[C@H](NCc1c(O)ccc(Cl)c1F)c1ncnn1C ZINC000790991131 648469244 /nfs/dbraw/zinc/46/92/44/648469244.db2.gz KYRMMKPTEKFEQY-ZETCQYMHSA-N 0 1 284.722 2.164 20 10 CECDMN C[C@@H](NCc1c(O)ccc(Cl)c1F)c1ncn(C)n1 ZINC000790992488 648470341 /nfs/dbraw/zinc/47/03/41/648470341.db2.gz LPLLVGVOAGYHNB-SSDOTTSWSA-N 0 1 284.722 2.164 20 10 CECDMN COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000792204152 648625588 /nfs/dbraw/zinc/62/55/88/648625588.db2.gz XIJAOPAAZBSLKK-BXKDBHETSA-N 0 1 283.755 2.477 20 10 CECDMN O=C([C@H]1CCCc2[nH]ncc21)N1Cc2cccc(O)c2C1 ZINC000871203519 649031081 /nfs/dbraw/zinc/03/10/81/649031081.db2.gz MTRVYHQBJABQIL-NSHDSACASA-N 0 1 283.331 2.078 20 10 CECDMN CCCOc1ccc(CN[C@@H](C)C(=O)NCCF)cc1C ZINC000873122323 649562743 /nfs/dbraw/zinc/56/27/43/649562743.db2.gz QDMCRMLYWJMGSM-ZDUSSCGKSA-N 0 1 296.386 2.348 20 10 CECDMN CC(C)(CO)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000124967530 649766773 /nfs/dbraw/zinc/76/67/73/649766773.db2.gz DQTCHVSISNIPTC-UHFFFAOYSA-N 0 1 288.185 2.263 20 10 CECDMN Oc1cc(O)c(CCNc2cccn3cncc23)cc1O ZINC001168014599 805733543 /nfs/dbraw/zinc/73/35/43/805733543.db2.gz UOBULTCLCJZCDE-UHFFFAOYSA-N 0 1 285.303 2.106 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])CC[C@@H]1O ZINC001142508952 806608981 /nfs/dbraw/zinc/60/89/81/806608981.db2.gz QQQYBJCTFAYBDZ-RNCFNFMXSA-N 0 1 271.307 2.263 20 10 CECDMN COc1ccc(O)c([C@@H](C)NCc2nn(C)cc2C)c1 ZINC000723488189 802874248 /nfs/dbraw/zinc/87/42/48/802874248.db2.gz KZFVTMXCARJMIP-LLVKDONJSA-N 0 1 275.352 2.294 20 10 CECDMN CC[N@H+]1CCCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140582850 803178343 /nfs/dbraw/zinc/17/83/43/803178343.db2.gz NSOOBUOKKRYSDK-UHFFFAOYSA-N 0 1 270.323 2.198 20 10 CECDMN C[C@H]1C[N@@H+](Cc2c([O-])c(F)ccc2F)CCC[C@H]1O ZINC001139684775 814759306 /nfs/dbraw/zinc/75/93/06/814759306.db2.gz LIZQFJPPKHKJCM-TVQRCGJNSA-N 0 1 271.307 2.263 20 10 CECDMN COc1cc(O)c(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)c(OC)c1 ZINC001141032003 803670387 /nfs/dbraw/zinc/67/03/87/803670387.db2.gz PUMMTBJSHACRII-ZBEGNZNMSA-N 0 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AYITYVZVHNWVKC-GZMMTYOYSA-N 0 1 288.185 2.404 20 10 CECDMN COc1ccc(O)c([C@@H](C)NCc2ccc(C)nn2)c1 ZINC000396576848 813575033 /nfs/dbraw/zinc/57/50/33/813575033.db2.gz PZCOLNLVHSYLTM-LLVKDONJSA-N 0 1 273.336 2.350 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1=CCOCC1 ZINC000397860856 813642705 /nfs/dbraw/zinc/64/27/05/813642705.db2.gz XONPFSRMAJYDMO-UHFFFAOYSA-N 0 1 253.729 2.482 20 10 CECDMN COC(=O)CC[N@@H+](Cc1cccc(F)c1[O-])C1CC1 ZINC001138129884 815733962 /nfs/dbraw/zinc/73/39/62/815733962.db2.gz XVNWLNAWBPRVBT-UHFFFAOYSA-N 0 1 267.300 2.059 20 10 CECDMN CC[NH+](CC)C[C@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC001138130930 815736673 /nfs/dbraw/zinc/73/66/73/815736673.db2.gz LSUMBDGVODZHKR-AWEZNQCLSA-N 0 1 296.386 2.074 20 10 CECDMN COC(=O)Cc1ccc(CN2CCC[C@@H](F)C2)c(O)c1 ZINC001249201135 815739051 /nfs/dbraw/zinc/73/90/51/815739051.db2.gz GVSOIRZAZSUSQQ-CYBMUJFWSA-N 0 1 281.327 2.042 20 10 CECDMN CN(Cc1cc(O)cc(O)c1)Cc1ccccc1O ZINC001138330900 815768933 /nfs/dbraw/zinc/76/89/33/815768933.db2.gz 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C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(Cl)cc1[O-] ZINC000527956352 379857313 /nfs/dbraw/zinc/85/73/13/379857313.db2.gz VODYDTGBXCWSBH-CUOATXAZSA-N 0 1 285.771 2.236 20 10 CECDMN O=C(N[C@@H]1CCN(Cc2cc(F)ccc2O)C1)C1CCC1 ZINC000360670544 394805774 /nfs/dbraw/zinc/80/57/74/394805774.db2.gz IIZWPQNZCNPCEW-CQSZACIVSA-N 0 1 292.354 2.022 20 10 CECDMN c1ncc(CNCc2ccc(N3CCOCC3)cc2)s1 ZINC000133064148 394943999 /nfs/dbraw/zinc/94/39/99/394943999.db2.gz IZAQHXVBXFSCIG-UHFFFAOYSA-N 0 1 289.404 2.270 20 10 CECDMN COc1ccc(N2CCN(CCSC)CC2)cc1F ZINC000175765905 400288737 /nfs/dbraw/zinc/28/87/37/400288737.db2.gz VKTSDAPIKWTWOF-UHFFFAOYSA-N 0 1 284.400 2.319 20 10 CECDMN COc1cccc(CNCc2csc(C)n2)c1O ZINC000041010321 260181505 /nfs/dbraw/zinc/18/15/05/260181505.db2.gz UHLHPKHRSQHSKS-UHFFFAOYSA-N 0 1 264.350 2.456 20 10 CECDMN CC[C@](C)(CO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000152167896 261060459 /nfs/dbraw/zinc/06/04/59/261060459.db2.gz IYEKZCQERRKQQX-GFCCVEGCSA-N 0 1 288.185 2.405 20 10 CECDMN COc1cccc(CNCc2ccc(N(C)C)cc2)n1 ZINC000105460649 261359343 /nfs/dbraw/zinc/35/93/43/261359343.db2.gz OCGSLKBPJGGUEO-UHFFFAOYSA-N 0 1 271.364 2.446 20 10 CECDMN CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000124536782 262554388 /nfs/dbraw/zinc/55/43/88/262554388.db2.gz UFCNHUKJAYRUFL-GFCCVEGCSA-N 0 1 282.771 2.146 20 10 CECDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000368463302 267175108 /nfs/dbraw/zinc/17/51/08/267175108.db2.gz YAXHLWBOZUZHCH-CQSZACIVSA-N 0 1 251.301 2.144 20 10 CECDMN CC[C@@H](N[C@@H](C)c1ncnn1C)c1ccccc1O ZINC000276696453 276438572 /nfs/dbraw/zinc/43/85/72/276438572.db2.gz VHQVQCAZWHKUFU-CMPLNLGQSA-N 0 1 260.341 2.323 20 10 CECDMN C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000185028692 327836014 /nfs/dbraw/zinc/83/60/14/327836014.db2.gz JAUQQINCCNMSAX-VXGBXAGGSA-N 0 1 298.814 2.417 20 10 CECDMN CCOc1cccc(C[N@@H+](CC)CCC(=O)OC)c1O ZINC000092380088 327193438 /nfs/dbraw/zinc/19/34/38/327193438.db2.gz HPEOPDOYBDVTHU-UHFFFAOYSA-N 0 1 281.352 2.176 20 10 CECDMN [O-]c1ccc(Br)cc1C[NH2+]CC12CC(C1)CO2 ZINC000527790710 330283508 /nfs/dbraw/zinc/28/35/08/330283508.db2.gz SYWSMBIKBXRFOZ-UHFFFAOYSA-N 0 1 298.180 2.423 20 10 CECDMN C[C@@H]([NH2+]CC1COC1)c1ccc(Br)cc1[O-] ZINC000528023446 330304740 /nfs/dbraw/zinc/30/47/40/330304740.db2.gz DEAFGBSANFNNGT-MRVPVSSYSA-N 0 1 286.169 2.452 20 10 CECDMN CC(C)(C)n1cc(CNCc2ccccc2O)nn1 ZINC000232510646 333337761 /nfs/dbraw/zinc/33/77/61/333337761.db2.gz ZIBMYUOTVXAIPM-UHFFFAOYSA-N 0 1 260.341 2.029 20 10 CECDMN CC1(C[NH2+]Cc2c([O-])cccc2Cl)OCCCO1 ZINC000277129776 520732657 /nfs/dbraw/zinc/73/26/57/520732657.db2.gz CNQGVFCUAMRXIS-UHFFFAOYSA-N 0 1 271.744 2.288 20 10 CECDMN CN(C)c1ccc(C[NH2+]Cc2nc(C(=O)[O-])cs2)cc1 ZINC000277291582 522209167 /nfs/dbraw/zinc/20/91/67/522209167.db2.gz MLHOIHGQUYPLCW-UHFFFAOYSA-N 0 1 291.376 2.197 20 10 CECDMN COc1cccc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000280671166 525955375 /nfs/dbraw/zinc/95/53/75/525955375.db2.gz UFRRUVLAUYDFAW-NHYWBVRUSA-N 0 1 277.364 2.400 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291236841 527620644 /nfs/dbraw/zinc/62/06/44/527620644.db2.gz KXHLFEINKKIOKE-SNVBAGLBSA-N 0 1 291.725 2.495 20 10 CECDMN Cc1cc(O)c(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])cc1C ZINC000738463491 574864700 /nfs/dbraw/zinc/86/47/00/574864700.db2.gz HOBQPWNTTQHOAR-ZDUSSCGKSA-N 0 1 295.404 2.401 20 10 CECDMN Cc1cc(O)c(C[N@@H+]2CCN(C(=O)[O-])C[C@@H]2C)cc1C ZINC000740088271 574941737 /nfs/dbraw/zinc/94/17/37/574941737.db2.gz GSHBIWRYPCAKAE-LBPRGKRZSA-N 0 1 278.352 2.193 20 10 CECDMN Cc1cc(O)c(C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)cc1C ZINC000740089186 574941841 /nfs/dbraw/zinc/94/18/41/574941841.db2.gz OJGICRANBOGVIO-LBPRGKRZSA-N 0 1 278.352 2.099 20 10 CECDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)N(C)C ZINC000750609969 575270329 /nfs/dbraw/zinc/27/03/29/575270329.db2.gz ZACFKQCOWVVIJU-AWEZNQCLSA-N 0 1 291.439 2.440 20 10 CECDMN C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000125469387 649918481 /nfs/dbraw/zinc/91/84/81/649918481.db2.gz KVECOXRJMLBEIF-VVVCHXIZSA-N 0 1 275.801 2.292 20 10 CECDMN Cc1ccc(C(=O)N=[S@@](C)(=O)C(C)C)c(O)c1O ZINC000926056201 623118078 /nfs/dbraw/zinc/11/80/78/623118078.db2.gz JDILYZCMRKTJQE-SFHVURJKSA-N 0 1 271.338 2.053 20 10 CECDMN CN(C)c1ccc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC000086782704 623350249 /nfs/dbraw/zinc/35/02/49/623350249.db2.gz KJCUNKZITAHDLW-INIZCTEOSA-N 0 1 276.380 2.439 20 10 CECDMN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000294076983 627871544 /nfs/dbraw/zinc/87/15/44/627871544.db2.gz QVPRTPOMPKQODJ-LLVKDONJSA-N 0 1 253.317 2.126 20 10 CECDMN COc1ccc(CNCc2ncccc2F)c(O)c1OC ZINC000893182341 628099014 /nfs/dbraw/zinc/09/90/14/628099014.db2.gz IXJQGGGDICOIDO-UHFFFAOYSA-N 0 1 292.310 2.233 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CC2(CO)CC2)c(Cl)c1 ZINC000840902393 628271642 /nfs/dbraw/zinc/27/16/42/628271642.db2.gz PAYCPOWQKKACPR-UHFFFAOYSA-N 0 1 255.745 2.216 20 10 CECDMN C/C=C(/C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000893608689 628787482 /nfs/dbraw/zinc/78/74/82/628787482.db2.gz ZOWFODMBNUAWLE-CPSFFCFKSA-N 0 1 287.407 2.021 20 10 CECDMN C[C@@H](N[C@H]1CNOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000925868880 628969025 /nfs/dbraw/zinc/96/90/25/628969025.db2.gz AGINBDWXHYRZEG-OCCSQVGLSA-N 0 1 293.386 2.370 20 10 CECDMN CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894453935 629467836 /nfs/dbraw/zinc/46/78/36/629467836.db2.gz JJCRXSNABQVRMV-GFCCVEGCSA-N 0 1 271.307 2.406 20 10 CECDMN COc1ccc(CN(C(C)C)C2COC2)c(O)c1OC ZINC000894659159 629583089 /nfs/dbraw/zinc/58/30/89/629583089.db2.gz PLQDOIJGOAONAW-UHFFFAOYSA-N 0 1 281.352 2.019 20 10 CECDMN [O-]c1c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)ccc2ccccc21 ZINC000895653040 630294707 /nfs/dbraw/zinc/29/47/07/630294707.db2.gz KSXLPNMGHNEPAX-BBRMVZONSA-N 0 1 255.317 2.112 20 10 CECDMN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)ccc2ccccc21 ZINC000895653040 630294709 /nfs/dbraw/zinc/29/47/09/630294709.db2.gz KSXLPNMGHNEPAX-BBRMVZONSA-N 0 1 255.317 2.112 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726196 635486096 /nfs/dbraw/zinc/48/60/96/635486096.db2.gz JCVBPQXTQJVTAS-GFCCVEGCSA-N 0 1 277.698 2.248 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726196 635486102 /nfs/dbraw/zinc/48/61/02/635486102.db2.gz JCVBPQXTQJVTAS-GFCCVEGCSA-N 0 1 277.698 2.248 20 10 CECDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000896963193 630846506 /nfs/dbraw/zinc/84/65/06/630846506.db2.gz WBXLZBVYRWPRIM-ZDUSSCGKSA-N 0 1 294.370 2.277 20 10 CECDMN CCOC(=O)[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000896963193 630846512 /nfs/dbraw/zinc/84/65/12/630846512.db2.gz WBXLZBVYRWPRIM-ZDUSSCGKSA-N 0 1 294.370 2.277 20 10 CECDMN CCOc1ccc(C[N@@H+]2CC[C@H](OCC)C2)c(O)c1 ZINC000897067961 630915295 /nfs/dbraw/zinc/91/52/95/630915295.db2.gz GEWPIHCHXVFASC-AWEZNQCLSA-N 0 1 265.353 2.402 20 10 CECDMN C[C@@H](O)CC[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824828751 635505661 /nfs/dbraw/zinc/50/56/61/635505661.db2.gz FABSMGRGBWALNH-SECBINFHSA-N 0 1 288.185 2.357 20 10 CECDMN C[C@@H](O)CC[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824828751 635505662 /nfs/dbraw/zinc/50/56/62/635505662.db2.gz FABSMGRGBWALNH-SECBINFHSA-N 0 1 288.185 2.357 20 10 CECDMN C[C@@H](O)CC[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824828751 635505669 /nfs/dbraw/zinc/50/56/69/635505669.db2.gz FABSMGRGBWALNH-SECBINFHSA-N 0 1 288.185 2.357 20 10 CECDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)CCCO)c1 ZINC000799739624 631074534 /nfs/dbraw/zinc/07/45/34/631074534.db2.gz NAQBCYOFSLONLD-UHFFFAOYSA-N 0 1 288.185 2.277 20 10 CECDMN CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756058 631787367 /nfs/dbraw/zinc/78/73/67/631787367.db2.gz PLJPHZIXRMCLBL-LJUAHTATSA-N 0 1 271.744 2.110 20 10 CECDMN CC(=O)C(=O)CSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000808020173 631908851 /nfs/dbraw/zinc/90/88/51/631908851.db2.gz ASLZZBISMNYPAO-WAYWQWQTSA-N 0 1 291.332 2.127 20 10 CECDMN CN1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCC1=O ZINC000816552504 633411405 /nfs/dbraw/zinc/41/14/05/633411405.db2.gz OGSAQVTUPRZHBL-CQSZACIVSA-N 0 1 284.359 2.256 20 10 CECDMN CO[C@@]1(C[NH2+]Cc2ccc3ccccc3c2[O-])CCOC1 ZINC000816569995 633415190 /nfs/dbraw/zinc/41/51/90/633415190.db2.gz DNUZTIKOFLQDIH-QGZVFWFLSA-N 0 1 287.359 2.441 20 10 CECDMN CCOc1ccc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(O)c1 ZINC000817881839 633750984 /nfs/dbraw/zinc/75/09/84/633750984.db2.gz PTDSIZIPEATBHL-DGCLKSJQSA-N 0 1 293.363 2.334 20 10 CECDMN C[C@@H](N)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817973455 633816982 /nfs/dbraw/zinc/81/69/82/633816982.db2.gz UCMPBEUIHOOPHI-RNFRBKRXSA-N 0 1 291.164 2.292 20 10 CECDMN Cc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1O ZINC000818631911 633967350 /nfs/dbraw/zinc/96/73/50/633967350.db2.gz VPTCTSVPGQUPNU-MFKMUULPSA-N 0 1 263.337 2.386 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503316 634932489 /nfs/dbraw/zinc/93/24/89/634932489.db2.gz FZNRMVZEHACNOK-CYBMUJFWSA-N 0 1 292.770 2.474 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503316 634932492 /nfs/dbraw/zinc/93/24/92/634932492.db2.gz FZNRMVZEHACNOK-CYBMUJFWSA-N 0 1 292.770 2.474 20 10 CECDMN Fc1cnccc1CNCc1ccc2c(c1)CCO2 ZINC000823752471 635272468 /nfs/dbraw/zinc/27/24/68/635272468.db2.gz GMTSQFAAGLGDTG-UHFFFAOYSA-N 0 1 258.296 2.445 20 10 CECDMN Cc1cc([O-])c(C[N@@H+](CC(N)=O)CC(C)C)cc1Cl ZINC000824575524 635455265 /nfs/dbraw/zinc/45/52/65/635455265.db2.gz HKULXPXVOMHWQX-UHFFFAOYSA-N 0 1 284.787 2.297 20 10 CECDMN Cc1cc([O-])c(C[N@H+](CC(N)=O)CC(C)C)cc1Cl ZINC000824575524 635455272 /nfs/dbraw/zinc/45/52/72/635455272.db2.gz HKULXPXVOMHWQX-UHFFFAOYSA-N 0 1 284.787 2.297 20 10 CECDMN CNC(=O)CCC[N@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824883164 635518013 /nfs/dbraw/zinc/51/80/13/635518013.db2.gz GYBAWFSPYRBOBK-UHFFFAOYSA-N 0 1 284.787 2.312 20 10 CECDMN CNC(=O)CCC[N@@H+](C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824883164 635518016 /nfs/dbraw/zinc/51/80/16/635518016.db2.gz GYBAWFSPYRBOBK-UHFFFAOYSA-N 0 1 284.787 2.312 20 10 CECDMN CCc1nc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])co1 ZINC000825051168 635549409 /nfs/dbraw/zinc/54/94/09/635549409.db2.gz WXKKAQUFCWALSN-UHFFFAOYSA-N 0 1 277.280 2.141 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCCCNC2=O)cc1Cl ZINC000825096798 635565537 /nfs/dbraw/zinc/56/55/37/635565537.db2.gz JIHOSOUBNGPDBI-GFCCVEGCSA-N 0 1 282.771 2.112 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCC[S@@](C)=O)cc1Cl ZINC000825298366 635607637 /nfs/dbraw/zinc/60/76/37/635607637.db2.gz ZDUZUVZMYLSNKH-QGZVFWFLSA-N 0 1 275.801 2.212 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@]2(CCO)CCOC2)cc1Cl ZINC000825341564 635621679 /nfs/dbraw/zinc/62/16/79/635621679.db2.gz OFYVMYIHNQZOMV-HNNXBMFYSA-N 0 1 299.798 2.233 20 10 CECDMN Cc1cc([O-])c(C[N@H+](CCO)C2CCOCC2)cc1Cl ZINC000825629065 635680541 /nfs/dbraw/zinc/68/05/41/635680541.db2.gz QPOWKTFEHJBIIG-UHFFFAOYSA-N 0 1 299.798 2.327 20 10 CECDMN Cc1cc([O-])c(C[N@@H+](CCO)C2CCOCC2)cc1Cl ZINC000825629065 635680543 /nfs/dbraw/zinc/68/05/43/635680543.db2.gz QPOWKTFEHJBIIG-UHFFFAOYSA-N 0 1 299.798 2.327 20 10 CECDMN Cc1cc(O)c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1Cl ZINC000825964147 635738894 /nfs/dbraw/zinc/73/88/94/635738894.db2.gz PMADABGVEFRCPN-GDNZZTSVSA-N 0 1 267.756 2.024 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1Cl ZINC000825964147 635738897 /nfs/dbraw/zinc/73/88/97/635738897.db2.gz PMADABGVEFRCPN-GDNZZTSVSA-N 0 1 267.756 2.024 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1Cl ZINC000825964147 635738899 /nfs/dbraw/zinc/73/88/99/635738899.db2.gz PMADABGVEFRCPN-GDNZZTSVSA-N 0 1 267.756 2.024 20 10 CECDMN COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000826139749 635765606 /nfs/dbraw/zinc/76/56/06/635765606.db2.gz MQKVNIZXOKVZJQ-XXILOJSOSA-N 0 1 283.755 2.333 20 10 CECDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@H]1COCCO1 ZINC000827141433 636233857 /nfs/dbraw/zinc/23/38/57/636233857.db2.gz SZTJYHOLZPJRGT-HNNXBMFYSA-N 0 1 287.359 2.393 20 10 CECDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@H]1COCCO1 ZINC000827141433 636233867 /nfs/dbraw/zinc/23/38/67/636233867.db2.gz SZTJYHOLZPJRGT-HNNXBMFYSA-N 0 1 287.359 2.393 20 10 CECDMN [O-]c1c(Br)cccc1C[N@H+]1CCC2(COC2)C1 ZINC000827642641 636373644 /nfs/dbraw/zinc/37/36/44/636373644.db2.gz AGMWTTNBJRDLEI-UHFFFAOYSA-N 0 1 298.180 2.377 20 10 CECDMN Cc1cc([O-])c(C[N@@H+](C)C2(CO)CC2)c(Cl)c1 ZINC000827898342 636455504 /nfs/dbraw/zinc/45/55/04/636455504.db2.gz LSJNVWDHPZNQHB-UHFFFAOYSA-N 0 1 255.745 2.311 20 10 CECDMN Cc1cc([O-])c(C[N@H+](C)C2(CO)CC2)c(Cl)c1 ZINC000827898342 636455510 /nfs/dbraw/zinc/45/55/10/636455510.db2.gz LSJNVWDHPZNQHB-UHFFFAOYSA-N 0 1 255.745 2.311 20 10 CECDMN C[C@@H](NC(=O)[C@@H]1CCCN1C1CC1)c1ccccc1O ZINC000827946298 636466230 /nfs/dbraw/zinc/46/62/30/636466230.db2.gz CUVZPNGCSHACFB-RISCZKNCSA-N 0 1 274.364 2.196 20 10 CECDMN O=C(C1=CC(=O)CS1)N1CCc2nc[nH]c2C12CCC2 ZINC000829065789 636762221 /nfs/dbraw/zinc/76/22/21/636762221.db2.gz GFXHKQJXXRZZMQ-UHFFFAOYSA-N 0 1 289.360 2.255 20 10 CECDMN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 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/nfs/dbraw/zinc/28/91/37/640289137.db2.gz MXOVOWBQHYWQLE-OAHLLOKOSA-N 0 1 287.338 2.073 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2C[NH3+])c1[O-] ZINC000843352084 640400546 /nfs/dbraw/zinc/40/05/46/640400546.db2.gz DFOTWMHLWGLOAW-GFCCVEGCSA-N 0 1 282.771 2.171 20 10 CECDMN Oc1cc2c(cc1CN1CCOC[C@@H]1C1CCC1)OCO2 ZINC000843428715 640427726 /nfs/dbraw/zinc/42/77/26/640427726.db2.gz MBMAJWJQMABOPQ-CYBMUJFWSA-N 0 1 291.347 2.122 20 10 CECDMN Cc1cc(C)c(O)c(CN2CCN(C(=O)C(C)C)CC2)c1 ZINC000915834459 640632501 /nfs/dbraw/zinc/63/25/01/640632501.db2.gz KPPSFAFMLQVYQW-UHFFFAOYSA-N 0 1 290.407 2.309 20 10 CECDMN COc1cccc([C@@H](C)N[C@@H]2CCn3ccnc32)c1O ZINC000846168504 641210576 /nfs/dbraw/zinc/21/05/76/641210576.db2.gz AEWDQBWZPYVFHV-ZYHUDNBSSA-N 0 1 273.336 2.393 20 10 CECDMN C[C@H]([NH2+][C@@H](CO)CCF)c1ccc(Cl)cc1[O-] ZINC000846209986 641222805 /nfs/dbraw/zinc/22/28/05/641222805.db2.gz VEPJRASIVAFROI-WCBMZHEXSA-N 0 1 261.724 2.417 20 10 CECDMN Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)[O-])ccc1N(C)C 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CCOC(=O)[C@@H](C)C1CN(Cc2c(O)cccc2OC)C1 ZINC000877829424 650924688 /nfs/dbraw/zinc/92/46/88/650924688.db2.gz TUMDPDMIMSRCJY-NSHDSACASA-N 0 1 293.363 2.032 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+][C@]2(C)CCO[C@@H]2C)c1[O-] ZINC000755155661 644480735 /nfs/dbraw/zinc/48/07/35/644480735.db2.gz CNMGZAOMDRAXLP-MEBBXXQBSA-N 0 1 281.327 2.391 20 10 CECDMN C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000756535700 644659959 /nfs/dbraw/zinc/65/99/59/644659959.db2.gz PUYJDHVVGCDDSJ-RYUDHWBXSA-N 0 1 298.814 2.417 20 10 CECDMN C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756555115 644664685 /nfs/dbraw/zinc/66/46/85/644664685.db2.gz RGWZWFNTZXZMAK-NEPJUHHUSA-N 0 1 293.367 2.293 20 10 CECDMN Cc1cc(CN(C)[C@H]2CCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000758398232 644925883 /nfs/dbraw/zinc/92/58/83/644925883.db2.gz IHFMWYOCBBSOOV-AWEZNQCLSA-N 0 1 290.407 2.318 20 10 CECDMN Cc1cc(O)c(CN(C)[C@@H]2CCNC2=O)cc1C(C)C ZINC000758403108 644926570 /nfs/dbraw/zinc/92/65/70/644926570.db2.gz 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CCOc1cccc(CN2C[C@H](C)O[C@H](COC)C2)c1O ZINC000188373875 369345860 /nfs/dbraw/zinc/34/58/60/369345860.db2.gz XTTMGMYVGJLJFQ-JSGCOSHPSA-N 0 1 295.379 2.027 20 10 CECDMN CC[C@H](C(=O)[O-])[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000191429950 369712854 /nfs/dbraw/zinc/71/28/54/369712854.db2.gz VEDPZVMZVRWRHT-OAHLLOKOSA-N 0 1 292.379 2.071 20 10 CECDMN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C ZINC000269187679 372369446 /nfs/dbraw/zinc/36/94/46/372369446.db2.gz VZPRXKCZVRCUBS-AWEZNQCLSA-N 0 1 276.380 2.225 20 10 CECDMN CC(=O)c1cc(F)cc(CN2[C@H](C)CCC[C@H]2CO)c1O ZINC000272697746 373619170 /nfs/dbraw/zinc/61/91/70/373619170.db2.gz VPHMXEKKOIMKPZ-YGRLFVJLSA-N 0 1 295.354 2.469 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)CCC[C@H]2CO)c1[O-] ZINC000272697746 373619172 /nfs/dbraw/zinc/61/91/72/373619172.db2.gz VPHMXEKKOIMKPZ-YGRLFVJLSA-N 0 1 295.354 2.469 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2[C@H](C)CCC[C@H]2CO)c1[O-] ZINC000272697746 373619173 /nfs/dbraw/zinc/61/91/73/373619173.db2.gz 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/nfs/dbraw/zinc/09/45/51/395094551.db2.gz HHUPRNQZOCTZRD-UHFFFAOYSA-N 0 1 273.760 2.140 20 10 CECDMN COC[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179368099 395192115 /nfs/dbraw/zinc/19/21/15/395192115.db2.gz WBKQTZAFUPJABD-MRVPVSSYSA-N 0 1 288.731 2.421 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCn1ccnc1 ZINC000020506216 171228036 /nfs/dbraw/zinc/22/80/36/171228036.db2.gz JNVJTZQJXYJATK-UHFFFAOYSA-N 0 1 265.744 2.422 20 10 CECDMN CN(C)[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000160247132 261209263 /nfs/dbraw/zinc/20/92/63/261209263.db2.gz GUUOXRFPCNYWRI-GFCCVEGCSA-N 0 1 252.333 2.057 20 10 CECDMN CN(C)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000160247132 261209264 /nfs/dbraw/zinc/20/92/64/261209264.db2.gz GUUOXRFPCNYWRI-GFCCVEGCSA-N 0 1 252.333 2.057 20 10 CECDMN C[C@@H]1OCC[C@]12CN(Cc1ccc(N(C)C)cc1)CCO2 ZINC000280404251 263061157 /nfs/dbraw/zinc/06/11/57/263061157.db2.gz LBLTXDBKEHUNTL-YOEHRIQHSA-N 0 1 290.407 2.132 20 10 CECDMN [O-]c1c(F)cccc1CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000368592513 267190224 /nfs/dbraw/zinc/19/02/24/267190224.db2.gz QLNKTBYYFXQCLV-ZDUSSCGKSA-N 0 1 296.411 2.154 20 10 CECDMN CC[C@H](c1ccccc1O)N1CCO[C@@H]2CCOC[C@@H]21 ZINC000366498136 281025486 /nfs/dbraw/zinc/02/54/86/281025486.db2.gz RFJXWONGZIOFLT-IJEWVQPXSA-N 0 1 277.364 2.333 20 10 CECDMN COC(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1O ZINC000281015101 328238127 /nfs/dbraw/zinc/23/81/27/328238127.db2.gz YWHIIYBIBNBNHW-MRVPVSSYSA-N 0 1 257.717 2.039 20 10 CECDMN COc1cncc(CN(C)Cc2ccccc2O)c1 ZINC000289950377 328257043 /nfs/dbraw/zinc/25/70/43/328257043.db2.gz PDTMSPNZHANBJB-UHFFFAOYSA-N 0 1 258.321 2.428 20 10 CECDMN C[C@@H](NCc1ccc(N(C)C)cc1)c1cnccn1 ZINC000070477686 326916844 /nfs/dbraw/zinc/91/68/44/326916844.db2.gz SCVIYRPDSLBOIZ-GFCCVEGCSA-N 0 1 256.353 2.393 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000180707531 329222385 /nfs/dbraw/zinc/22/23/85/329222385.db2.gz YDXCLLBCPRPKIB-KBPBESRZSA-N 0 1 297.782 2.425 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000180707531 329222387 /nfs/dbraw/zinc/22/23/87/329222387.db2.gz YDXCLLBCPRPKIB-KBPBESRZSA-N 0 1 297.782 2.425 20 10 CECDMN CC(C)(CCCO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226618714 329262493 /nfs/dbraw/zinc/26/24/93/329262493.db2.gz CKJGGPZPQQRQTD-UHFFFAOYSA-N 0 1 255.333 2.420 20 10 CECDMN CC[C@@H](NCc1nncn1CC)c1ccccc1O ZINC000230971663 333323157 /nfs/dbraw/zinc/32/31/57/333323157.db2.gz DTZRYHRZUNSZHG-GFCCVEGCSA-N 0 1 260.341 2.245 20 10 CECDMN COC[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000234842712 333362505 /nfs/dbraw/zinc/36/25/05/333362505.db2.gz YNFRMOLLRRAKPX-YPMHNXCESA-N 0 1 275.348 2.203 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1[O-] ZINC000275905943 518284858 /nfs/dbraw/zinc/28/48/58/518284858.db2.gz VZIZNJJJINXIKJ-HDJSIYSDSA-N 0 1 295.354 2.469 20 10 CECDMN CCN(CC)c1ccc(CNCC(=O)NC2CC2)cc1F ZINC000265785369 520905059 /nfs/dbraw/zinc/90/50/59/520905059.db2.gz PPXYSAKBLKLQQB-UHFFFAOYSA-N 0 1 293.386 2.040 20 10 CECDMN CCOc1ccc(O)c(CNCc2cnccc2OC)c1 ZINC000292814913 521155231 /nfs/dbraw/zinc/15/52/31/521155231.db2.gz WNPGNTYVVUJXQG-UHFFFAOYSA-N 0 1 288.347 2.484 20 10 CECDMN COc1c([O-])c(C[N@@H+](C)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000278205045 521869814 /nfs/dbraw/zinc/86/98/14/521869814.db2.gz JNELHQREBHKARU-JTQLQIEISA-N 0 1 298.364 2.246 20 10 CECDMN Cc1cc(O)c(CN2CC[C@H](C)[S@](=O)CC2)cc1C ZINC000277808543 525320367 /nfs/dbraw/zinc/32/03/67/525320367.db2.gz YBHUHZBFPKGCLP-ORAYPTAESA-N 0 1 281.421 2.352 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000289775475 527624876 /nfs/dbraw/zinc/62/48/76/527624876.db2.gz KWBAMRBJINLMGZ-ZDUSSCGKSA-N 0 1 273.735 2.342 20 10 CECDMN C[C@H](CNC(=O)C1=CC(=O)CS1)N1CCCC[C@@H]1C ZINC000732271203 574617025 /nfs/dbraw/zinc/61/70/25/574617025.db2.gz QRFLTHLODUJGOC-WDEREUQCSA-N 0 1 282.409 2.446 20 10 CECDMN COC(=O)c1ccc(CNCc2c(O)cccc2OC)o1 ZINC000734159861 574703848 /nfs/dbraw/zinc/70/38/48/574703848.db2.gz JYHQKONJFODVMV-UHFFFAOYSA-N 0 1 291.303 2.070 20 10 CECDMN CC[C@@H]1COCCN1Cc1cc2c(cc1O)CCC2 ZINC000738085152 574851628 /nfs/dbraw/zinc/85/16/28/574851628.db2.gz QADUQESTTOBJQG-OAHLLOKOSA-N 0 1 261.365 2.492 20 10 CECDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000817779117 597481153 /nfs/dbraw/zinc/48/11/53/597481153.db2.gz AIEXGWLAZQBTDV-VIFPVBQESA-N 0 1 281.352 2.300 20 10 CECDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000086756414 597482955 /nfs/dbraw/zinc/48/29/55/597482955.db2.gz KCMFSNGFSVLBLA-JTQLQIEISA-N 0 1 259.305 2.450 20 10 CECDMN CCOc1cccc(C[N@@H+](CC(=O)[O-])C(C)C)c1O ZINC000086748017 598127972 /nfs/dbraw/zinc/12/79/72/598127972.db2.gz NYIHIGNDRRKADL-UHFFFAOYSA-N 0 1 267.325 2.086 20 10 CECDMN C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1C(=O)[O-] ZINC000251565284 604668238 /nfs/dbraw/zinc/66/82/38/604668238.db2.gz BUESLUCQKLJYOI-GZMMTYOYSA-N 0 1 269.728 2.198 20 10 CECDMN COc1ccc(O)c(C[N@@H+](CCC(=O)[O-])CC(C)C)c1 ZINC000833733888 605233681 /nfs/dbraw/zinc/23/36/81/605233681.db2.gz UXFABBFQDKEHBK-UHFFFAOYSA-N 0 1 281.352 2.334 20 10 CECDMN C[N@@H+]1CC[C@H](CC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890761410 622933350 /nfs/dbraw/zinc/93/33/50/622933350.db2.gz QUVXPTIFULMTFA-SNVBAGLBSA-N 0 1 282.771 2.004 20 10 CECDMN C[N@H+]1CC[C@H](CC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890761410 622933353 /nfs/dbraw/zinc/93/33/53/622933353.db2.gz QUVXPTIFULMTFA-SNVBAGLBSA-N 0 1 282.771 2.004 20 10 CECDMN C[N@@H+]1CC[C@@H](CC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890761409 622933367 /nfs/dbraw/zinc/93/33/67/622933367.db2.gz QUVXPTIFULMTFA-JTQLQIEISA-N 0 1 282.771 2.004 20 10 CECDMN C[N@H+]1CC[C@@H](CC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890761409 622933369 /nfs/dbraw/zinc/93/33/69/622933369.db2.gz QUVXPTIFULMTFA-JTQLQIEISA-N 0 1 282.771 2.004 20 10 CECDMN Cc1ccc(O)c([C@H](C)NCc2cc(C(N)=O)co2)c1 ZINC000187721974 628276888 /nfs/dbraw/zinc/27/68/88/628276888.db2.gz SNZOSEULQGHZIT-JTQLQIEISA-N 0 1 274.320 2.243 20 10 CECDMN CN1CCCc2cc(CNC(=O)c3ccc(CN)o3)ccc21 ZINC000237129325 629293161 /nfs/dbraw/zinc/29/31/61/629293161.db2.gz AXTPYQSLXOMBDO-UHFFFAOYSA-N 0 1 299.374 2.051 20 10 CECDMN CC(=O)N1CCN(Cc2cc(F)cc(F)c2O)C(C)(C)C1 ZINC000894424720 629453958 /nfs/dbraw/zinc/45/39/58/629453958.db2.gz LRSCOSNRXSJRIG-UHFFFAOYSA-N 0 1 298.333 2.113 20 10 CECDMN NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2O)C1 ZINC000895004480 629788787 /nfs/dbraw/zinc/78/87/87/629788787.db2.gz QUHSPUTXCABPGV-SFHVURJKSA-N 0 1 296.370 2.021 20 10 CECDMN CN(C)c1cc(F)c(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1F ZINC000895780811 630349705 /nfs/dbraw/zinc/34/97/05/630349705.db2.gz VGZVLQTTWSGHDA-IETSOEAISA-N 0 1 296.361 2.234 20 10 CECDMN CCn1cnc2c1CCN(Cc1cc(F)cc(F)c1O)C2 ZINC000897333994 631133231 /nfs/dbraw/zinc/13/32/31/631133231.db2.gz ZOHLYBPSBIWXKA-UHFFFAOYSA-N 0 1 293.317 2.445 20 10 CECDMN Cc1ccc(O)c(CN2CCC[C@H](S(C)(=O)=O)CC2)c1 ZINC000800534012 631133382 /nfs/dbraw/zinc/13/33/82/631133382.db2.gz IUJSGMNKCHTQSD-AWEZNQCLSA-N 0 1 297.420 2.100 20 10 CECDMN COc1cccc(CN(C)Cc2cccc(=O)[nH]2)c1O ZINC000897392093 631277044 /nfs/dbraw/zinc/27/70/44/631277044.db2.gz MPZJEBLDAFWRFP-UHFFFAOYSA-N 0 1 274.320 2.133 20 10 CECDMN Cc1cc(Br)c([O-])c(CN2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000841024796 631803771 /nfs/dbraw/zinc/80/37/71/631803771.db2.gz SPCSDLBYRZWWCA-CABZTGNLSA-N 0 1 299.212 2.385 20 10 CECDMN CN(Cc1cc(Cl)ccc1O)C[C@@H](O)C(F)(F)F ZINC000809750954 632139280 /nfs/dbraw/zinc/13/92/80/632139280.db2.gz KIOZUVIBLTUCMU-SNVBAGLBSA-N 0 1 283.677 2.401 20 10 CECDMN C[C@@H]1CCNC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841059357 632362384 /nfs/dbraw/zinc/36/23/84/632362384.db2.gz QECAYFCMCGQIMS-LDYMZIIASA-N 0 1 299.758 2.041 20 10 CECDMN C[N@H+]1C[C@H]2CCN(Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000814172935 632797877 /nfs/dbraw/zinc/79/78/77/632797877.db2.gz DGZFOBPURPOYIF-ZWNOBZJWSA-N 0 1 266.772 2.182 20 10 CECDMN CN1C[C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000814172935 632797880 /nfs/dbraw/zinc/79/78/80/632797880.db2.gz DGZFOBPURPOYIF-ZWNOBZJWSA-N 0 1 266.772 2.182 20 10 CECDMN CN1C[C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000814172935 632797883 /nfs/dbraw/zinc/79/78/83/632797883.db2.gz DGZFOBPURPOYIF-ZWNOBZJWSA-N 0 1 266.772 2.182 20 10 CECDMN [O-]c1c(C[N@H+]2CC[C@H](CO)C2)ccc2ccccc21 ZINC000816499498 633402385 /nfs/dbraw/zinc/40/23/85/633402385.db2.gz RXDFGCBTYBLITR-LBPRGKRZSA-N 0 1 257.333 2.360 20 10 CECDMN [O-]c1c(C[N@@H+]2CC[C@H](CO)C2)ccc2ccccc21 ZINC000816499498 633402389 /nfs/dbraw/zinc/40/23/89/633402389.db2.gz RXDFGCBTYBLITR-LBPRGKRZSA-N 0 1 257.333 2.360 20 10 CECDMN CN(Cc1nnc[nH]1)Cc1ccc2ccccc2c1O ZINC000816513590 633404955 /nfs/dbraw/zinc/40/49/55/633404955.db2.gz VWLFRNSADDQSIM-UHFFFAOYSA-N 0 1 268.320 2.296 20 10 CECDMN COC[C@H](O)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559617 633413258 /nfs/dbraw/zinc/41/32/58/633413258.db2.gz PJJNYUFMMLCOIL-CQSZACIVSA-N 0 1 275.348 2.032 20 10 CECDMN CCN(Cc1cn(C)nn1)Cc1cc(Cl)c(F)cc1O ZINC000816566894 633413989 /nfs/dbraw/zinc/41/39/89/633413989.db2.gz KPIMHZFYVFZSKG-UHFFFAOYSA-N 0 1 298.749 2.335 20 10 CECDMN COc1cccc(CNCc2cnn(C)c2Cl)c1O ZINC000816610188 633421840 /nfs/dbraw/zinc/42/18/40/633421840.db2.gz BFNLCGIEHZXDKP-UHFFFAOYSA-N 0 1 281.743 2.078 20 10 CECDMN C[C@H]([NH2+][C@@H]1CCCCNC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817983941 633827240 /nfs/dbraw/zinc/82/72/40/633827240.db2.gz MBEBMYVJIXPTFE-WDEREUQCSA-N 0 1 279.340 2.093 20 10 CECDMN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cc([N+](=O)[O-])ccc1[O-] ZINC000818615100 633960994 /nfs/dbraw/zinc/96/09/94/633960994.db2.gz LYXGQONQOLCKDC-OASPWFOLSA-N 0 1 279.340 2.221 20 10 CECDMN CN(Cc1ccccc1O)[C@H]1CCN(C(C)(C)C)C1=O ZINC000822739274 634984585 /nfs/dbraw/zinc/98/45/85/634984585.db2.gz CIOIZGBJYYLDLX-ZDUSSCGKSA-N 0 1 276.380 2.223 20 10 CECDMN [NH3+][C@@H]1CN(Cc2cccc(F)c2[O-])CC[C@H]1C(F)(F)F ZINC000903984285 635403112 /nfs/dbraw/zinc/40/31/12/635403112.db2.gz SBXOOXKQWAIJKI-MWLCHTKSSA-N 0 1 292.276 2.243 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)CCO)cc1Cl ZINC000825320349 635614823 /nfs/dbraw/zinc/61/48/23/635614823.db2.gz JDZAXYUUVQIMBX-VIFPVBQESA-N 0 1 257.761 2.462 20 10 CECDMN O=C([C@@H]1CCN1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000825356219 635624435 /nfs/dbraw/zinc/62/44/35/635624435.db2.gz NNOFHKJPDVNMNE-HNNXBMFYSA-N 0 1 286.375 2.251 20 10 CECDMN COC[C@]1(CO)CC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000826096739 635761107 /nfs/dbraw/zinc/76/11/07/635761107.db2.gz BEXRGHHAYUNINY-OAHLLOKOSA-N 0 1 299.798 2.185 20 10 CECDMN COC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000826096739 635761109 /nfs/dbraw/zinc/76/11/09/635761109.db2.gz BEXRGHHAYUNINY-OAHLLOKOSA-N 0 1 299.798 2.185 20 10 CECDMN CO[C@@]1(CO)CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000826952412 636169697 /nfs/dbraw/zinc/16/96/97/636169697.db2.gz JYZPPIKEGJQMTO-AWEZNQCLSA-N 0 1 285.771 2.019 20 10 CECDMN CO[C@@]1(CO)CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000826952412 636169703 /nfs/dbraw/zinc/16/97/03/636169703.db2.gz JYZPPIKEGJQMTO-AWEZNQCLSA-N 0 1 285.771 2.019 20 10 CECDMN Cc1ccc(CN(C)CC(=O)NCc2ccco2)c(O)c1 ZINC000876543164 650314911 /nfs/dbraw/zinc/31/49/11/650314911.db2.gz GWXILALKKJSQOZ-UHFFFAOYSA-N 0 1 288.347 2.042 20 10 CECDMN CN(C)c1ccc(/C=C\CN2CC[C@](O)(C(F)F)C2)cc1 ZINC000835053108 638040514 /nfs/dbraw/zinc/04/05/14/638040514.db2.gz BCQIUEOFUJYESF-MJSXRHKHSA-N 0 1 296.361 2.468 20 10 CECDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCC[C@@H]1O ZINC000876804758 650439612 /nfs/dbraw/zinc/43/96/12/650439612.db2.gz UFEPSWMEAFQJHU-SKDRFNHKSA-N 0 1 271.307 2.263 20 10 CECDMN COC(=O)[C@]1(C)CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000840974654 639606002 /nfs/dbraw/zinc/60/60/02/639606002.db2.gz DMZZFZCQPCVFPF-OAHLLOKOSA-N 0 1 281.327 2.306 20 10 CECDMN CC[C@@H]1CN(CC)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841297618 639731765 /nfs/dbraw/zinc/73/17/65/639731765.db2.gz HQZZOODQAFKEBN-CQSZACIVSA-N 0 1 276.384 2.217 20 10 CECDMN Cn1ccc(CC[NH2+]Cc2cc(Cl)ccc2[O-])n1 ZINC000230880574 639798687 /nfs/dbraw/zinc/79/86/87/639798687.db2.gz YRYPGBVERMRBCM-UHFFFAOYSA-N 0 1 265.744 2.111 20 10 CECDMN C[C@H](C[S@@](C)=O)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753907 639858442 /nfs/dbraw/zinc/85/84/42/639858442.db2.gz OJGAGXNEKLHNTM-CGMALJKESA-N 0 1 275.801 2.463 20 10 CECDMN Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841753985 639858866 /nfs/dbraw/zinc/85/88/66/639858866.db2.gz OWGXGICWCBKZIO-QMMMGPOBSA-N 0 1 280.759 2.365 20 10 CECDMN C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(Cl)cc1[O-] ZINC000841757358 639859838 /nfs/dbraw/zinc/85/98/38/639859838.db2.gz NQLVKWICZWNRMA-JTQLQIEISA-N 0 1 287.787 2.484 20 10 CECDMN CCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1O ZINC000843041275 640247656 /nfs/dbraw/zinc/24/76/56/640247656.db2.gz PHGWFDRLDVVRHH-WCQYABFASA-N 0 1 293.363 2.334 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H]([NH3+])[C@H](C)C2)c1[O-] ZINC000843353770 640400694 /nfs/dbraw/zinc/40/06/94/640400694.db2.gz PSCNPJKPLVRVNW-OTYXRUKQSA-N 0 1 296.798 2.417 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](CO)CCF)c(Cl)c1 ZINC000846096113 641179421 /nfs/dbraw/zinc/17/94/21/641179421.db2.gz FMDLONYCMMLLSA-VIFPVBQESA-N 0 1 261.724 2.164 20 10 CECDMN C[C@@H](NC(=O)[C@H]1NCCc2ccccc21)c1ccccc1O ZINC000877256124 650644365 /nfs/dbraw/zinc/64/43/65/650644365.db2.gz NVYAITMEBNGQMX-PXAZEXFGSA-N 0 1 296.370 2.456 20 10 CECDMN CN(C)c1ccc(CN(C)C[C@H](O)C(F)(F)F)cc1 ZINC000183923113 641818283 /nfs/dbraw/zinc/81/82/83/641818283.db2.gz UKBQFGYXNWSQCC-LBPRGKRZSA-N 0 1 276.302 2.108 20 10 CECDMN Oc1ccccc1CNCc1cc2n(n1)CCCC2 ZINC000848532620 642039378 /nfs/dbraw/zinc/03/93/78/642039378.db2.gz JPZBWFXJCWXWFP-UHFFFAOYSA-N 0 1 257.337 2.215 20 10 CECDMN CCc1cccc(CN2CCC[C@H]2C(=O)OC)c1O ZINC000848880353 642168137 /nfs/dbraw/zinc/16/81/37/642168137.db2.gz GBNWZTYQSDPKOD-ZDUSSCGKSA-N 0 1 263.337 2.092 20 10 CECDMN CCc1cccc(CN2CC[C@H](C)[S@@](=O)CC2)c1O ZINC000848905682 642182594 /nfs/dbraw/zinc/18/25/94/642182594.db2.gz LFHNILJNSCQYHG-BUXKBTBVSA-N 0 1 281.421 2.298 20 10 CECDMN CC[C@H](C)NC(=[NH2+])NCc1cc(Cl)ccc1[O-] ZINC000849048793 642257378 /nfs/dbraw/zinc/25/73/78/642257378.db2.gz LMAUKUVYEUZMHN-QMMMGPOBSA-N 0 1 255.749 2.458 20 10 CECDMN [O-]c1c(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)ccc(F)c1F ZINC000877515274 650760016 /nfs/dbraw/zinc/76/00/16/650760016.db2.gz ZUHUKNLLDSPGKH-HNNXBMFYSA-N 0 1 299.317 2.052 20 10 CECDMN [O-]c1c(C[N@H+]2CCO[C@@]3(CCCOC3)C2)ccc(F)c1F ZINC000877515274 650760022 /nfs/dbraw/zinc/76/00/22/650760022.db2.gz ZUHUKNLLDSPGKH-HNNXBMFYSA-N 0 1 299.317 2.052 20 10 CECDMN Cc1cccc(O)c1CNCc1nnc(C(C)(C)C)[nH]1 ZINC000877582606 650800011 /nfs/dbraw/zinc/80/00/11/650800011.db2.gz BTLDGRWXDCWRTN-UHFFFAOYSA-N 0 1 274.368 2.406 20 10 CECDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000851708807 643119369 /nfs/dbraw/zinc/11/93/69/643119369.db2.gz ZPVGKCVNOLYRBF-ZDUSSCGKSA-N 0 1 264.369 2.356 20 10 CECDMN Cc1ccc(CN[C@H]2C[C@H](C)n3ncnc32)c(O)c1 ZINC000877623268 650818493 /nfs/dbraw/zinc/81/84/93/650818493.db2.gz KGRCSEQDFIBFDC-JQWIXIFHSA-N 0 1 258.325 2.088 20 10 CECDMN Cc1cc(Br)cc(CNCc2ncc[nH]2)c1O ZINC000877673726 650844489 /nfs/dbraw/zinc/84/44/89/650844489.db2.gz QHPGHGWMGAETHX-UHFFFAOYSA-N 0 1 296.168 2.476 20 10 CECDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853586982 643823736 /nfs/dbraw/zinc/82/37/36/643823736.db2.gz CJVYXJKYQWTKRY-KGLIPLIRSA-N 0 1 284.359 2.409 20 10 CECDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853586982 643823741 /nfs/dbraw/zinc/82/37/41/643823741.db2.gz CJVYXJKYQWTKRY-KGLIPLIRSA-N 0 1 284.359 2.409 20 10 CECDMN C[N@H+]1CC[C@H]2CN(Cc3ccc(F)c(F)c3[O-])CC[C@H]21 ZINC000877737091 650878118 /nfs/dbraw/zinc/87/81/18/650878118.db2.gz CRHWMUURCVESLT-GXFFZTMASA-N 0 1 282.334 2.196 20 10 CECDMN COC1(C)CN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000839100970 644147566 /nfs/dbraw/zinc/14/75/66/644147566.db2.gz GXYDYROXNRLOMA-UHFFFAOYSA-N 0 1 259.708 2.405 20 10 CECDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCSC[C@H]1CO ZINC000877780370 650908156 /nfs/dbraw/zinc/90/81/56/650908156.db2.gz NXPJGNDWGLYYPG-SNVBAGLBSA-N 0 1 291.775 2.094 20 10 CECDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCSC[C@H]1CO ZINC000877780370 650908159 /nfs/dbraw/zinc/90/81/59/650908159.db2.gz NXPJGNDWGLYYPG-SNVBAGLBSA-N 0 1 291.775 2.094 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1CO ZINC000857061311 644806915 /nfs/dbraw/zinc/80/69/15/644806915.db2.gz OGTNMWXQUPEDFZ-PWSUYJOCSA-N 0 1 269.772 2.496 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@H+](CCO)CC1CC1 ZINC000769109556 646207191 /nfs/dbraw/zinc/20/71/91/646207191.db2.gz RHYHKKGZICXQKL-UHFFFAOYSA-N 0 1 255.745 2.250 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@@H+](CCO)CC1CC1 ZINC000769109556 646207194 /nfs/dbraw/zinc/20/71/94/646207194.db2.gz RHYHKKGZICXQKL-UHFFFAOYSA-N 0 1 255.745 2.250 20 10 CECDMN COC(=O)[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C ZINC000769514446 646279783 /nfs/dbraw/zinc/27/97/83/646279783.db2.gz GWFBQVPRFULZNB-UWVGGRQHSA-N 0 1 283.755 2.287 20 10 CECDMN COC(=O)[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C ZINC000769514446 646279791 /nfs/dbraw/zinc/27/97/91/646279791.db2.gz GWFBQVPRFULZNB-UWVGGRQHSA-N 0 1 283.755 2.287 20 10 CECDMN CN(Cc1c(O)cccc1Br)C1CC(O)C1 ZINC000862326863 646401442 /nfs/dbraw/zinc/40/14/42/646401442.db2.gz VATGKEADHSLUEJ-UHFFFAOYSA-N 0 1 286.169 2.110 20 10 CECDMN CN(C)c1cc(F)c(CN2CCC[C@]2(C)CO)cc1F ZINC000862336957 646403540 /nfs/dbraw/zinc/40/35/40/646403540.db2.gz OJANVTORQJAOEC-OAHLLOKOSA-N 0 1 284.350 2.378 20 10 CECDMN CN(C)c1cc(F)c(CN(C)CC2(CO)CC2)cc1F ZINC000862337008 646403674 /nfs/dbraw/zinc/40/36/74/646403674.db2.gz PZGCCTNDQITLAF-UHFFFAOYSA-N 0 1 284.350 2.235 20 10 CECDMN C[C@H]1C[C@@H](O)C[N@@H+]1Cc1c([O-])cccc1Br ZINC000862339379 646405500 /nfs/dbraw/zinc/40/55/00/646405500.db2.gz RMUWHPROXCMYSU-DTWKUNHWSA-N 0 1 286.169 2.110 20 10 CECDMN C[C@H]1C[C@@H](O)C[N@H+]1Cc1c([O-])cccc1Br ZINC000862339379 646405511 /nfs/dbraw/zinc/40/55/11/646405511.db2.gz RMUWHPROXCMYSU-DTWKUNHWSA-N 0 1 286.169 2.110 20 10 CECDMN CN(C)c1cc(F)c(CN2C[C@H]3COC[C@@]3(C)C2)cc1F ZINC000862416057 646450962 /nfs/dbraw/zinc/45/09/62/646450962.db2.gz LOSMWPMYIGVAOA-BLLLJJGKSA-N 0 1 296.361 2.499 20 10 CECDMN CC[N@@H+](CC(=O)N(C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775652523 646975841 /nfs/dbraw/zinc/97/58/41/646975841.db2.gz MJBZZBFEDHGBGI-UHFFFAOYSA-N 0 1 288.750 2.095 20 10 CECDMN COC(=O)[C@@H]1C[C@H](C)CCN1Cc1ccccc1O ZINC000776000795 647015611 /nfs/dbraw/zinc/01/56/11/647015611.db2.gz NPSCOCLQEKDHNZ-YPMHNXCESA-N 0 1 263.337 2.166 20 10 CECDMN Cc1cccc(CN(C)[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000777219780 647121414 /nfs/dbraw/zinc/12/14/14/647121414.db2.gz NCAYJAQHLRNCOJ-GFCCVEGCSA-N 0 1 278.396 2.436 20 10 CECDMN C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@H]1O ZINC000779199546 647295402 /nfs/dbraw/zinc/29/54/02/647295402.db2.gz DZALXAZLAWQBBJ-JOYOIKCWSA-N 0 1 255.745 2.248 20 10 CECDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@H]1O ZINC000779199546 647295406 /nfs/dbraw/zinc/29/54/06/647295406.db2.gz DZALXAZLAWQBBJ-JOYOIKCWSA-N 0 1 255.745 2.248 20 10 CECDMN COc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000784667832 647873500 /nfs/dbraw/zinc/87/35/00/647873500.db2.gz MDOWUUKXESGVFV-IAQYHMDHSA-N 0 1 265.353 2.258 20 10 CECDMN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])[C@@H]1C ZINC000787420669 648107700 /nfs/dbraw/zinc/10/77/00/648107700.db2.gz KIVASMJBJVRQBP-BXKDBHETSA-N 0 1 283.755 2.429 20 10 CECDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@@H]1C ZINC000787420669 648107704 /nfs/dbraw/zinc/10/77/04/648107704.db2.gz KIVASMJBJVRQBP-BXKDBHETSA-N 0 1 283.755 2.429 20 10 CECDMN Oc1ccc(Cl)c(F)c1CNCc1nnc2n1CCC2 ZINC000790949803 648463838 /nfs/dbraw/zinc/46/38/38/648463838.db2.gz IMGXLTHCCVNIHQ-UHFFFAOYSA-N 0 1 296.733 2.012 20 10 CECDMN CN1CCCC(C)(C)[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000791058214 648478137 /nfs/dbraw/zinc/47/81/37/648478137.db2.gz BRXJZHZVYPFAHJ-GFCCVEGCSA-N 0 1 282.409 2.304 20 10 CECDMN O=C(c1cc(C2CC2)[nH]n1)N1Cc2cccc(O)c2C1 ZINC000871198283 649029373 /nfs/dbraw/zinc/02/93/73/649029373.db2.gz FWTPGYQCVRSLQT-UHFFFAOYSA-N 0 1 269.304 2.149 20 10 CECDMN C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000872127525 649286332 /nfs/dbraw/zinc/28/63/32/649286332.db2.gz WWMGQRLHTWZEBJ-QXEWZRGKSA-N 0 1 255.745 2.467 20 10 CECDMN COc1ccc(N2CCN(CCSC)CC2)c(OC)c1 ZINC000879462964 651306951 /nfs/dbraw/zinc/30/69/51/651306951.db2.gz WZHBASXTLNVLFI-UHFFFAOYSA-N 0 1 296.436 2.189 20 10 CECDMN Cc1cc(C[C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])n[nH]1 ZINC000883049580 652346442 /nfs/dbraw/zinc/34/64/42/652346442.db2.gz QDTFIRHLWNRMLV-MRVPVSSYSA-N 0 1 281.306 2.423 20 10 CECDMN COc1ccc(O)c(CNCc2c(Cl)cnn2C)c1 ZINC000131577540 652437300 /nfs/dbraw/zinc/43/73/00/652437300.db2.gz GHJYJXTXUBYPOL-UHFFFAOYSA-N 0 1 281.743 2.078 20 10 CECDMN CC[N@@H+](CCO)Cc1cc(C)cc(Br)c1[O-] ZINC000134753587 652871556 /nfs/dbraw/zinc/87/15/56/652871556.db2.gz VHSKYYQJTRWEMB-UHFFFAOYSA-N 0 1 288.185 2.277 20 10 CECDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001142508781 806607769 /nfs/dbraw/zinc/60/77/69/806607769.db2.gz LGKZAZOTAZAACQ-CQSZACIVSA-N 0 1 269.291 2.425 20 10 CECDMN CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527061 806619306 /nfs/dbraw/zinc/61/93/06/806619306.db2.gz IZJUVCCVWLKKKL-SNVBAGLBSA-N 0 1 269.291 2.471 20 10 CECDMN C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142527562 806620496 /nfs/dbraw/zinc/62/04/96/806620496.db2.gz ZFENUBNHAJQPOG-IAQYHMDHSA-N 0 1 282.334 2.054 20 10 CECDMN COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])CC12CC2 ZINC001142534241 806623478 /nfs/dbraw/zinc/62/34/78/806623478.db2.gz BBZCOTDNFSEEST-JTQLQIEISA-N 0 1 297.301 2.055 20 10 CECDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142534791 806623717 /nfs/dbraw/zinc/62/37/17/806623717.db2.gz XDNSYVVMJOQMNO-AWEZNQCLSA-N 0 1 285.290 2.055 20 10 CECDMN C[NH+]1CCC2(CN(Cc3c([O-])cc(F)cc3F)C2)CC1 ZINC001140584443 803187101 /nfs/dbraw/zinc/18/71/01/803187101.db2.gz RLBYPEBXDMJLMN-UHFFFAOYSA-N 0 1 282.334 2.198 20 10 CECDMN Cc1nccnc1CN(C)Cc1ccc(N(C)C)cc1 ZINC001140940269 803618458 /nfs/dbraw/zinc/61/84/58/803618458.db2.gz WBJRCXBDFBBGTF-UHFFFAOYSA-N 0 1 270.380 2.483 20 10 CECDMN O=C([O-])[C@]12C[N@@H+](Cc3ccccc3O)C[C@H]1CCCC2 ZINC000715878020 803677376 /nfs/dbraw/zinc/67/73/76/803677376.db2.gz ZTMBQCMPTANFHB-CZUORRHYSA-N 0 1 275.348 2.469 20 10 CECDMN [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001233335785 807396170 /nfs/dbraw/zinc/39/61/70/807396170.db2.gz LMXYFKMCIPNUQO-RNCFNFMXSA-N 0 1 269.291 2.281 20 10 CECDMN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)CC2)c(Cl)c1 ZINC001236797839 808166209 /nfs/dbraw/zinc/16/62/09/808166209.db2.gz JOLIBTNPJSILTM-SNVBAGLBSA-N 0 1 285.771 2.401 20 10 CECDMN COc1cc([O-])c(C[N@H+]2CCC[C@@H](O)CC2)c(Cl)c1 ZINC001236797839 808166217 /nfs/dbraw/zinc/16/62/17/808166217.db2.gz JOLIBTNPJSILTM-SNVBAGLBSA-N 0 1 285.771 2.401 20 10 CECDMN COc1cc([O-])c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c(Cl)c1 ZINC001236800182 808167749 /nfs/dbraw/zinc/16/77/49/808167749.db2.gz WYJMFUCVVJGBHO-ZJUUUORDSA-N 0 1 285.771 2.399 20 10 CECDMN COc1cc([O-])c(C[N@H+]2C[C@@H](O)CC[C@H]2C)c(Cl)c1 ZINC001236800182 808167753 /nfs/dbraw/zinc/16/77/53/808167753.db2.gz WYJMFUCVVJGBHO-ZJUUUORDSA-N 0 1 285.771 2.399 20 10 CECDMN Cn1cc(NCc2cc(Cl)cc(Cl)c2O)nn1 ZINC000701824686 809465385 /nfs/dbraw/zinc/46/53/85/809465385.db2.gz BZSIWHOEPMFTDR-UHFFFAOYSA-N 0 1 273.123 2.440 20 10 CECDMN [O-]c1c(C[N@H+]2CC[C@]3(CCOC3)C2)ccc(F)c1F ZINC000703481494 809652986 /nfs/dbraw/zinc/65/29/86/809652986.db2.gz GRBGBETVZLOQSA-AWEZNQCLSA-N 0 1 269.291 2.283 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H](C)O1 ZINC000703529882 809660113 /nfs/dbraw/zinc/66/01/13/809660113.db2.gz KRQSYSBIRDHDDT-DTORHVGOSA-N 0 1 257.280 2.280 20 10 CECDMN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H](C)O1 ZINC000703529882 809660118 /nfs/dbraw/zinc/66/01/18/809660118.db2.gz KRQSYSBIRDHDDT-DTORHVGOSA-N 0 1 257.280 2.280 20 10 CECDMN CC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137839275 809818739 /nfs/dbraw/zinc/81/87/39/809818739.db2.gz ZLBANHRZZFRAAZ-NSHDSACASA-N 0 1 251.301 2.332 20 10 CECDMN CC(C)(O)[C@H]1CCC[N@H+]1Cc1c([O-])cccc1F ZINC001137839276 809819503 /nfs/dbraw/zinc/81/95/03/809819503.db2.gz ZMBYOQAUWPWUJH-CYBMUJFWSA-N 0 1 253.317 2.267 20 10 CECDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CN2CCC1CC2 ZINC000708421066 809929790 /nfs/dbraw/zinc/92/97/90/809929790.db2.gz BYKYGDWQRHFFJM-CQSZACIVSA-N 0 1 282.334 2.196 20 10 CECDMN C[C@@H]1CN(Cc2cc(F)cc(F)c2O)[C@@H](C)CO1 ZINC000708423566 809929801 /nfs/dbraw/zinc/92/98/01/809929801.db2.gz STFRECNRUKHWBE-DTWKUNHWSA-N 0 1 257.280 2.280 20 10 CECDMN CCCCN(Cc1ccccc1O)C(=O)Cc1ccn[nH]1 ZINC000282436572 810758929 /nfs/dbraw/zinc/75/89/29/810758929.db2.gz HWBQHFLUVAUYPE-UHFFFAOYSA-N 0 1 287.363 2.487 20 10 CECDMN COc1ccc(CN2CCc3cccc(O)c3C2)cn1 ZINC001137037533 813844595 /nfs/dbraw/zinc/84/45/95/813844595.db2.gz FZZBZLOWHLQFLT-UHFFFAOYSA-N 0 1 270.332 2.354 20 10 CECDMN Oc1cc(F)c(Br)cc1CN1CCC1 ZINC001144299208 814020566 /nfs/dbraw/zinc/02/05/66/814020566.db2.gz RLNJVDHVNUIFRI-UHFFFAOYSA-N 0 1 260.106 2.500 20 10 CECDMN CCN1CC[C@@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000712608884 814757890 /nfs/dbraw/zinc/75/78/90/814757890.db2.gz UHEVMKXCQGNHDE-GFCCVEGCSA-N 0 1 299.212 2.339 20 10 CECDMN CC[C@@H](NCc1nnc(C)n1C)c1ccc(C)cc1O ZINC001116890588 814890282 /nfs/dbraw/zinc/89/02/82/814890282.db2.gz ZFTPUUPRTYNFQS-CYBMUJFWSA-N 0 1 274.368 2.378 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2F)C[C@]1(C)O ZINC001137831531 815691174 /nfs/dbraw/zinc/69/11/74/815691174.db2.gz CXUYIWDMAXBUFF-YGRLFVJLSA-N 0 1 253.317 2.124 20 10 CECDMN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC001137833170 815692262 /nfs/dbraw/zinc/69/22/62/815692262.db2.gz VXGUVYCRGIIVQQ-LLVKDONJSA-N 0 1 253.317 2.126 20 10 CECDMN C[NH+](C)[C@H]1CCCN(Cc2c([O-])cccc2F)C1 ZINC001137837930 815692715 /nfs/dbraw/zinc/69/27/15/815692715.db2.gz ZQOQUXCPZJGDQB-NSHDSACASA-N 0 1 252.333 2.057 20 10 CECDMN [O-]c1cccc(F)c1C[N@H+]1CCC[C@]12CCOC2 ZINC001137839236 815695759 /nfs/dbraw/zinc/69/57/59/815695759.db2.gz XUHWOHCSFFBCGI-CQSZACIVSA-N 0 1 251.301 2.286 20 10 CECDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCOC[C@@H]1C ZINC001139126602 815965272 /nfs/dbraw/zinc/96/52/72/815965272.db2.gz LYYSHLHSORUWKC-NSHDSACASA-N 0 1 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/nfs/dbraw/zinc/42/28/02/373422802.db2.gz RCUPUKMYKRNHGD-UHFFFAOYSA-N 0 1 264.344 2.201 20 10 CECDMN C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000273480127 373760591 /nfs/dbraw/zinc/76/05/91/373760591.db2.gz LWPRGSSUKXYJCD-MEBBXXQBSA-N 0 1 299.798 2.484 20 10 CECDMN C[C@@H](NCc1cccc(Cl)c1O)c1ncn(C)n1 ZINC000276140657 374226225 /nfs/dbraw/zinc/22/62/25/374226225.db2.gz DBEPFSIWAXEONB-MRVPVSSYSA-N 0 1 266.732 2.025 20 10 CECDMN COC[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@H](C)O1 ZINC000294699757 378014066 /nfs/dbraw/zinc/01/40/66/378014066.db2.gz UJUMXWKMWZJUPD-HOCLYGCPSA-N 0 1 292.423 2.297 20 10 CECDMN CC1(C)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1O ZINC000294819821 378022767 /nfs/dbraw/zinc/02/27/67/378022767.db2.gz XLLUZNLJRVTBTK-LBPRGKRZSA-N 0 1 273.735 2.387 20 10 CECDMN CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295918702 378355041 /nfs/dbraw/zinc/35/50/41/378355041.db2.gz FDSIJKKRUBAVLE-JTQLQIEISA-N 0 1 298.358 2.087 20 10 CECDMN CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295918702 378355046 /nfs/dbraw/zinc/35/50/46/378355046.db2.gz FDSIJKKRUBAVLE-JTQLQIEISA-N 0 1 298.358 2.087 20 10 CECDMN CCOC1CN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000297545702 378686902 /nfs/dbraw/zinc/68/69/02/378686902.db2.gz ZACZFUYOPFIEIX-UHFFFAOYSA-N 0 1 259.708 2.405 20 10 CECDMN CCN(Cc1cc(Cl)cc(C)c1O)[C@H]1CCNC1=O ZINC000281844082 394861590 /nfs/dbraw/zinc/86/15/90/394861590.db2.gz TXRRRDHIPZYTDA-LBPRGKRZSA-N 0 1 282.771 2.064 20 10 CECDMN CC[C@H](c1ccccc1O)N1CCO[C@@H]2CCOC[C@H]21 ZINC000366498135 394946410 /nfs/dbraw/zinc/94/64/10/394946410.db2.gz RFJXWONGZIOFLT-IIAWOOMASA-N 0 1 277.364 2.333 20 10 CECDMN Cc1cc(CN2CCN(Cc3ccccc3O)CC2)on1 ZINC000179554689 395194759 /nfs/dbraw/zinc/19/47/59/395194759.db2.gz CRQSQXJJKYPBDW-UHFFFAOYSA-N 0 1 287.363 2.006 20 10 CECDMN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000183370463 395256484 /nfs/dbraw/zinc/25/64/84/395256484.db2.gz CALICALZUUAXMF-LBPRGKRZSA-N 0 1 293.363 2.176 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000153031510 261072566 /nfs/dbraw/zinc/07/25/66/261072566.db2.gz CUGOIKUPLQOODL-LLVKDONJSA-N 0 1 285.771 2.331 20 10 CECDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@H](C)CO ZINC000164322258 261348294 /nfs/dbraw/zinc/34/82/94/261348294.db2.gz KADQILYULBMEFG-RKDXNWHRSA-N 0 1 288.185 2.261 20 10 CECDMN CC(C)[C@H](NCc1ccc(N(C)C)cc1)c1nncn1C ZINC000285500336 263093391 /nfs/dbraw/zinc/09/33/91/263093391.db2.gz XMTWLOVHPTYOGH-HNNXBMFYSA-N 0 1 287.411 2.368 20 10 CECDMN CC(C)C[N@@H+](CC(N)=O)Cc1cc(Cl)c(F)cc1[O-] ZINC000295323646 277378667 /nfs/dbraw/zinc/37/86/67/277378667.db2.gz LMXHMEFYOUQSSQ-UHFFFAOYSA-N 0 1 288.750 2.128 20 10 CECDMN CC[C@H](CO)[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000293876434 327172343 /nfs/dbraw/zinc/17/23/43/327172343.db2.gz FISWPQCVGVDEKM-GFCCVEGCSA-N 0 1 285.771 2.451 20 10 CECDMN CC[C@H](CO)[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000293876434 327172345 /nfs/dbraw/zinc/17/23/45/327172345.db2.gz FISWPQCVGVDEKM-GFCCVEGCSA-N 0 1 285.771 2.451 20 10 CECDMN C[C@H]([NH2+]CC1COC1)c1cc(Br)ccc1[O-] ZINC000528024135 330304866 /nfs/dbraw/zinc/30/48/66/330304866.db2.gz GQXNYLVIODPNHF-QMMMGPOBSA-N 0 1 286.169 2.452 20 10 CECDMN COc1cccc(CN2CCO[C@H]3CCC[C@H]32)c1O ZINC000228144239 333295602 /nfs/dbraw/zinc/29/56/02/333295602.db2.gz YHKJPXVBHSRNLB-OLZOCXBDSA-N 0 1 263.337 2.154 20 10 CECDMN COc1ccc(O)c(CN2CCO[C@H]3CCC[C@H]32)c1 ZINC000228144048 333295661 /nfs/dbraw/zinc/29/56/61/333295661.db2.gz UMEWJXSQKGUFIU-HIFRSBDPSA-N 0 1 263.337 2.154 20 10 CECDMN COC(=O)[C@H]1C[C@H](C)CCN1Cc1cccc(C)c1O ZINC000274923150 523987424 /nfs/dbraw/zinc/98/74/24/523987424.db2.gz MSMYVFJGEUYBRV-BXUZGUMPSA-N 0 1 277.364 2.474 20 10 CECDMN C[C@H]1COCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000289577773 524730353 /nfs/dbraw/zinc/73/03/53/524730353.db2.gz JUQFGTWXFJHZKC-QWRGUYRKSA-N 0 1 253.317 2.294 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@]2(CCOC2)O1 ZINC000280363178 525002708 /nfs/dbraw/zinc/00/27/08/525002708.db2.gz UOMJYSWZOWSSSE-ABAIWWIYSA-N 0 1 297.782 2.425 20 10 CECDMN C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc2ccccc2c1[O-] ZINC000037740510 525360271 /nfs/dbraw/zinc/36/02/71/525360271.db2.gz UKWAIRZCSCRLFB-NSHDSACASA-N 0 1 293.388 2.241 20 10 CECDMN O=C(CCC[NH2+]Cc1c([O-])cccc1Cl)NC1CC1 ZINC000083551920 526443819 /nfs/dbraw/zinc/44/38/19/526443819.db2.gz MTHKAKCZALVSBE-UHFFFAOYSA-N 0 1 282.771 2.194 20 10 CECDMN [O-]c1c(Cl)cccc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291236838 527595503 /nfs/dbraw/zinc/59/55/03/527595503.db2.gz KXHLFEINKKIOKE-JTQLQIEISA-N 0 1 291.725 2.495 20 10 CECDMN NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000738440627 574863193 /nfs/dbraw/zinc/86/31/93/574863193.db2.gz WIDGGXFAZGALBO-UWVGGRQHSA-N 0 1 282.771 2.179 20 10 CECDMN Cc1cc(O)c(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1C ZINC000740089385 574941577 /nfs/dbraw/zinc/94/15/77/574941577.db2.gz SFXZXOCTAJWMBI-GXTWGEPZSA-N 0 1 292.379 2.487 20 10 CECDMN COCCOC[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000742376677 575018000 /nfs/dbraw/zinc/01/80/00/575018000.db2.gz BPKWMARREZHHRA-JTQLQIEISA-N 0 1 273.760 2.187 20 10 CECDMN C[C@H]1CCN(CC[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000744450296 575121582 /nfs/dbraw/zinc/12/15/82/575121582.db2.gz QOECRTRKBLBUHQ-NSHDSACASA-N 0 1 268.788 2.477 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)c1ccco1 ZINC000747098896 575166968 /nfs/dbraw/zinc/16/69/68/575166968.db2.gz DVZDBEDWQOPNJQ-LBPRGKRZSA-N 0 1 267.712 2.462 20 10 CECDMN Cc1cc(Cl)cc(C[N@@H+](C)CCC(=O)[O-])c1O ZINC000820976413 598182208 /nfs/dbraw/zinc/18/22/08/598182208.db2.gz DYBJQRLXUJZDQZ-UHFFFAOYSA-N 0 1 257.717 2.261 20 10 CECDMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1O ZINC000829276406 601006449 /nfs/dbraw/zinc/00/64/49/601006449.db2.gz KJOXQOMYEALHMG-LBPRGKRZSA-N 0 1 251.326 2.467 20 10 CECDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H](C)C(=O)[O-])c1O ZINC000825946858 601419031 /nfs/dbraw/zinc/41/90/31/601419031.db2.gz TWFGTYBZIYJGIC-QMMMGPOBSA-N 0 1 299.754 2.401 20 10 CECDMN 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C[C@H]([NH2+]CCN(C)C)c1ccc(Br)cc1[O-] ZINC000287081444 395032951 /nfs/dbraw/zinc/03/29/51/395032951.db2.gz ORIKQMZJKZPBJC-VIFPVBQESA-N 0 1 287.201 2.367 20 10 CECDMN Cc1cccc(CN2CCO[C@H](COC(C)C)C2)c1O ZINC000372123853 395034989 /nfs/dbraw/zinc/03/49/89/395034989.db2.gz DOENQNFELFUANE-HNNXBMFYSA-N 0 1 279.380 2.326 20 10 CECDMN Cc1ccc(O)c(CN2CCO[C@@H](COC(C)C)C2)c1 ZINC000372124878 395035415 /nfs/dbraw/zinc/03/54/15/395035415.db2.gz WGKOYMOBWOSHRL-OAHLLOKOSA-N 0 1 279.380 2.326 20 10 CECDMN COc1cc(O)c(CN(C)Cc2cccnc2)cc1OC ZINC000182027587 395231091 /nfs/dbraw/zinc/23/10/91/395231091.db2.gz PPOYWHXVFLIFSL-UHFFFAOYSA-N 0 1 288.347 2.436 20 10 CECDMN CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H](C)CO ZINC000293405655 395232734 /nfs/dbraw/zinc/23/27/34/395232734.db2.gz MATFRZAPIJUELA-VIFPVBQESA-N 0 1 285.771 2.451 20 10 CECDMN CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H](C)CO ZINC000293405655 395232737 /nfs/dbraw/zinc/23/27/37/395232737.db2.gz MATFRZAPIJUELA-VIFPVBQESA-N 0 1 285.771 2.451 20 10 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[O-]c1cc(Br)ccc1C[N@@H+](CCO)C1CC1 ZINC000824560112 635451422 /nfs/dbraw/zinc/45/14/22/635451422.db2.gz AMWJDKCUXJZAQU-UHFFFAOYSA-N 0 1 286.169 2.111 20 10 CECDMN [O-]c1cc(Br)ccc1C[N@H+](CCO)C1CC1 ZINC000824560112 635451427 /nfs/dbraw/zinc/45/14/27/635451427.db2.gz AMWJDKCUXJZAQU-UHFFFAOYSA-N 0 1 286.169 2.111 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CO)C2)cc1Cl ZINC000824655837 635471016 /nfs/dbraw/zinc/47/10/16/635471016.db2.gz AOXGZARJNWSCSB-SNVBAGLBSA-N 0 1 255.745 2.168 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CO)C2)cc1Cl ZINC000824655837 635471019 /nfs/dbraw/zinc/47/10/19/635471019.db2.gz AOXGZARJNWSCSB-SNVBAGLBSA-N 0 1 255.745 2.168 20 10 CECDMN Cc1cc(O)c(C[N@H+]2CC[C@@](C)(O)C2)cc1Cl ZINC000824905940 635521313 /nfs/dbraw/zinc/52/13/13/635521313.db2.gz JHOLOORKUQFKRS-CYBMUJFWSA-N 0 1 255.745 2.311 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@](C)(O)C2)cc1Cl ZINC000824905940 635521318 /nfs/dbraw/zinc/52/13/18/635521318.db2.gz JHOLOORKUQFKRS-CYBMUJFWSA-N 0 1 255.745 2.311 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CC[C@@](C)(O)C2)cc1Cl ZINC000824905940 635521319 /nfs/dbraw/zinc/52/13/19/635521319.db2.gz JHOLOORKUQFKRS-CYBMUJFWSA-N 0 1 255.745 2.311 20 10 CECDMN Cc1cc(O)c(C[N@H+]2CC[C@](C)(O)C2)cc1Cl ZINC000824905941 635521846 /nfs/dbraw/zinc/52/18/46/635521846.db2.gz JHOLOORKUQFKRS-ZDUSSCGKSA-N 0 1 255.745 2.311 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CC[C@](C)(O)C2)cc1Cl ZINC000824905941 635521849 /nfs/dbraw/zinc/52/18/49/635521849.db2.gz JHOLOORKUQFKRS-ZDUSSCGKSA-N 0 1 255.745 2.311 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CC[C@](C)(O)C2)cc1Cl ZINC000824905941 635521851 /nfs/dbraw/zinc/52/18/51/635521851.db2.gz JHOLOORKUQFKRS-ZDUSSCGKSA-N 0 1 255.745 2.311 20 10 CECDMN C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000825104036 635570357 /nfs/dbraw/zinc/57/03/57/635570357.db2.gz LBTNIOLBFQVRNM-RDDDGLTNSA-N 0 1 259.708 2.140 20 10 CECDMN Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124196 635573773 /nfs/dbraw/zinc/57/37/73/635573773.db2.gz 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ZINC000840954961 639600244 /nfs/dbraw/zinc/60/02/44/639600244.db2.gz NZOKOJLONUXNRT-OAHLLOKOSA-N 0 1 277.364 2.402 20 10 CECDMN CN(C)c1ccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC000840997380 639611449 /nfs/dbraw/zinc/61/14/49/639611449.db2.gz AKEWLRWLABGPRP-GFCCVEGCSA-N 0 1 280.343 2.188 20 10 CECDMN C[C@@]1(C(=O)[O-])CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000840998808 639611835 /nfs/dbraw/zinc/61/18/35/639611835.db2.gz SMPWAWVKDAMYEU-CYBMUJFWSA-N 0 1 287.718 2.481 20 10 CECDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000840998808 639611837 /nfs/dbraw/zinc/61/18/37/639611837.db2.gz SMPWAWVKDAMYEU-CYBMUJFWSA-N 0 1 287.718 2.481 20 10 CECDMN C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc(Cl)cc1[O-] ZINC000841746597 639856793 /nfs/dbraw/zinc/85/67/93/639856793.db2.gz IZLMYZCWCKKWIB-VHSXEESVSA-N 0 1 280.759 2.376 20 10 CECDMN C[C@@H]([NH2+]Cc1cnnn1C)c1ccc(Cl)cc1[O-] ZINC000841757979 639859888 /nfs/dbraw/zinc/85/98/88/639859888.db2.gz QQHVONQMPBXDLN-MRVPVSSYSA-N 0 1 266.732 2.025 20 10 CECDMN COCC(COC)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841756881 639860252 /nfs/dbraw/zinc/86/02/52/639860252.db2.gz LBCFSRMXDWWCET-VIFPVBQESA-N 0 1 273.760 2.358 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188831424 640021234 /nfs/dbraw/zinc/02/12/34/640021234.db2.gz KYQGWEAAYZBLKK-SKDRFNHKSA-N 0 1 255.745 2.296 20 10 CECDMN CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)[O-] ZINC000843040282 640247712 /nfs/dbraw/zinc/24/77/12/640247712.db2.gz UBUMHWKZHAIRNP-SECBINFHSA-N 0 1 261.680 2.138 20 10 CECDMN Cc1cc(Br)c([O-])c(CN(C)[C@H]2CC[NH2+]C2)c1 ZINC000843049164 640253705 /nfs/dbraw/zinc/25/37/05/640253705.db2.gz HDZBJEYFRNKPTH-NSHDSACASA-N 0 1 299.212 2.257 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN2CC[NH2+][C@H](C)[C@@H]2C)c1[O-] ZINC000843376860 640410662 /nfs/dbraw/zinc/41/06/62/640410662.db2.gz FGAJQTWYHRFXRO-ZJUUUORDSA-N 0 1 296.798 2.430 20 10 CECDMN [O-]c1c(C[N@@H+]2CCCC3(C2)OCCO3)ccc(F)c1F ZINC000877171012 650608411 /nfs/dbraw/zinc/60/84/11/650608411.db2.gz 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CECDMN CC(C)NC(=O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000184895980 262032708 /nfs/dbraw/zinc/03/27/08/262032708.db2.gz SARQKSUMVLJXGC-SECBINFHSA-N 0 1 270.760 2.221 20 10 CECDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@H](C)CO ZINC000292767396 263134844 /nfs/dbraw/zinc/13/48/44/263134844.db2.gz KCFKJZWRBYZAKF-SECBINFHSA-N 0 1 288.185 2.357 20 10 CECDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@H](C)CO ZINC000292767396 263134843 /nfs/dbraw/zinc/13/48/43/263134843.db2.gz KCFKJZWRBYZAKF-SECBINFHSA-N 0 1 288.185 2.357 20 10 CECDMN OC[C@@]1(F)CCCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000367689405 267109832 /nfs/dbraw/zinc/10/98/32/267109832.db2.gz VAWWBFVNZUGPRM-CYBMUJFWSA-N 0 1 291.725 2.481 20 10 CECDMN Cc1cc(O)c(C[N@H+]2CC[C@@H](n3cncn3)C2)cc1C ZINC000368798227 267206105 /nfs/dbraw/zinc/20/61/05/267206105.db2.gz DXGDGBTWRHLTRI-CQSZACIVSA-N 0 1 272.352 2.048 20 10 CECDMN CN1CCc2cc(CNCc3cncs3)ccc21 ZINC000168970469 329062320 /nfs/dbraw/zinc/06/23/20/329062320.db2.gz VMWAUSKGTWJHHS-UHFFFAOYSA-N 0 1 259.378 2.425 20 10 CECDMN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(F)c1[O-] ZINC000252778046 334392344 /nfs/dbraw/zinc/39/23/44/334392344.db2.gz QRWBOWLVPZGMEJ-YPMHNXCESA-N 0 1 264.344 2.200 20 10 CECDMN C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(F)c1[O-] ZINC000252778046 334392346 /nfs/dbraw/zinc/39/23/46/334392346.db2.gz QRWBOWLVPZGMEJ-YPMHNXCESA-N 0 1 264.344 2.200 20 10 CECDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1[O-] ZINC000279281451 518288102 /nfs/dbraw/zinc/28/81/02/518288102.db2.gz ONLIMJOLNCNUBC-ABAIWWIYSA-N 0 1 295.354 2.375 20 10 CECDMN CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000280939603 519552772 /nfs/dbraw/zinc/55/27/72/519552772.db2.gz IRVILVLIDOQSGH-DGCLKSJQSA-N 0 1 294.370 2.440 20 10 CECDMN CC1(C)C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1O ZINC000280379347 520482850 /nfs/dbraw/zinc/48/28/50/520482850.db2.gz FFGFTUMHNLVSEJ-NSHDSACASA-N 0 1 255.745 2.248 20 10 CECDMN COc1cc(CNCc2ccc3c(c2)CCO3)ccn1 ZINC000058062519 522465479 /nfs/dbraw/zinc/46/54/79/522465479.db2.gz 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C[C@@H]([NH2+]Cc1ccon1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756638997 644676764 /nfs/dbraw/zinc/67/67/64/644676764.db2.gz XVDJZDHVQNNPNR-MRVPVSSYSA-N 0 1 263.253 2.139 20 10 CECDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cn[nH]c1 ZINC000756996836 644717300 /nfs/dbraw/zinc/71/73/00/644717300.db2.gz RHESVJFYDRFWTM-JTQLQIEISA-N 0 1 262.332 2.466 20 10 CECDMN C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1CO ZINC000857061443 644805549 /nfs/dbraw/zinc/80/55/49/644805549.db2.gz QWDRKKYJFSCVDX-CMPLNLGQSA-N 0 1 269.772 2.496 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1CO ZINC000857061443 644805555 /nfs/dbraw/zinc/80/55/55/644805555.db2.gz QWDRKKYJFSCVDX-CMPLNLGQSA-N 0 1 269.772 2.496 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CCNc1cnccn1 ZINC000760699834 645183019 /nfs/dbraw/zinc/18/30/19/645183019.db2.gz ALJZWJWHARERCH-UHFFFAOYSA-N 0 1 278.743 2.037 20 10 CECDMN C[N@H+](Cc1cc(Br)ccc1[O-])C1CC(O)C1 ZINC000761223239 645259165 /nfs/dbraw/zinc/25/91/65/645259165.db2.gz OCDIBWFXZIGOES-UHFFFAOYSA-N 0 1 286.169 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WKZNIDRAQKINMG-MRXNPFEDSA-N 0 1 289.375 2.440 20 10 CECDMN C[N@H+](Cc1c([O-])cccc1Br)CC(C)(C)O ZINC000862244745 646378416 /nfs/dbraw/zinc/37/84/16/646378416.db2.gz FCBDTJUAAZQMTF-UHFFFAOYSA-N 0 1 288.185 2.357 20 10 CECDMN C[N@@H+](Cc1c([O-])cccc1Br)CC(C)(C)O ZINC000862244745 646378420 /nfs/dbraw/zinc/37/84/20/646378420.db2.gz FCBDTJUAAZQMTF-UHFFFAOYSA-N 0 1 288.185 2.357 20 10 CECDMN COC(=O)C1=CC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000862465120 646469010 /nfs/dbraw/zinc/46/90/10/646469010.db2.gz DMZWIKIOCISTFM-JTQLQIEISA-N 0 1 281.739 2.397 20 10 CECDMN COc1cc(C)cc(CN2CCO[C@@H]3CCC[C@@H]32)c1O ZINC000863306712 646701629 /nfs/dbraw/zinc/70/16/29/646701629.db2.gz OVIVDOBNSRMJNY-UONOGXRCSA-N 0 1 277.364 2.463 20 10 CECDMN Cc1cccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1O ZINC000863738377 646803033 /nfs/dbraw/zinc/80/30/33/646803033.db2.gz AFVNTCHWLMXPKR-WCQYABFASA-N 0 1 263.337 2.243 20 10 CECDMN CC(C)[N@@H+](CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775643208 646974926 /nfs/dbraw/zinc/97/49/26/646974926.db2.gz OPEGQFJODMGHFT-UHFFFAOYSA-N 0 1 261.724 2.387 20 10 CECDMN COC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000775706913 646982998 /nfs/dbraw/zinc/98/29/98/646982998.db2.gz RBLCEKJORKCKIE-NSHDSACASA-N 0 1 289.734 2.032 20 10 CECDMN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000787420672 648107627 /nfs/dbraw/zinc/10/76/27/648107627.db2.gz KIVASMJBJVRQBP-JOYOIKCWSA-N 0 1 283.755 2.429 20 10 CECDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000787420672 648107628 /nfs/dbraw/zinc/10/76/28/648107628.db2.gz KIVASMJBJVRQBP-JOYOIKCWSA-N 0 1 283.755 2.429 20 10 CECDMN C[N@H+](Cc1c([O-])ccc(Cl)c1F)CC1CC(O)C1 ZINC000792180164 648619845 /nfs/dbraw/zinc/61/98/45/648619845.db2.gz MZNOWPJJWBIGQG-UHFFFAOYSA-N 0 1 273.735 2.387 20 10 CECDMN CCN(CC(=O)NCCCSc1nccs1)C1CC1 ZINC000132417619 652519980 /nfs/dbraw/zinc/51/99/80/652519980.db2.gz MQUOANAABLZUSX-UHFFFAOYSA-N 0 1 299.465 2.226 20 10 CECDMN Cc1cc2nccn2cc1NCCc1cc(O)c(O)cc1O ZINC001168005453 805658199 /nfs/dbraw/zinc/65/81/99/805658199.db2.gz HPKLUANMNDYDRC-UHFFFAOYSA-N 0 1 299.330 2.414 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C[C@@]1(C)O ZINC001142509068 806609492 /nfs/dbraw/zinc/60/94/92/806609492.db2.gz WCGWHUHNDSJHRP-YMTOWFKASA-N 0 1 271.307 2.263 20 10 CECDMN C[C@H](CC[NH2+]Cc1cccc(Cl)c1[O-])N(C)C ZINC000697836564 806701949 /nfs/dbraw/zinc/70/19/49/806701949.db2.gz JJWARDFLPGKVHS-SNVBAGLBSA-N 0 1 256.777 2.475 20 10 CECDMN C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000383287090 802906535 /nfs/dbraw/zinc/90/65/35/802906535.db2.gz UIARZGKNIBWYNO-WFASDCNBSA-N 0 1 276.380 2.295 20 10 CECDMN Cc1noc([C@@H]2CC[N@@H+](Cc3c([O-])cc(F)cc3F)C2)n1 ZINC001140584599 803185977 /nfs/dbraw/zinc/18/59/77/803185977.db2.gz YGAAUNNKYYNJCQ-SECBINFHSA-N 0 1 295.289 2.351 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000725002574 803388146 /nfs/dbraw/zinc/38/81/46/803388146.db2.gz WZXRSRGEWRRRAU-YDGIUTOCSA-N 0 1 253.729 2.049 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CC12CC(O)C2 ZINC000725001685 803388768 /nfs/dbraw/zinc/38/87/68/803388768.db2.gz OUQISVGXZDSAIP-CXJYDNQRSA-N 0 1 253.729 2.049 20 10 CECDMN C[N@H+]1CCCN(Cc2ccc(Br)cc2O)CC1 ZINC000691682368 808026381 /nfs/dbraw/zinc/02/63/81/808026381.db2.gz QDXIJBGFGWAFRE-UHFFFAOYSA-N 0 1 299.212 2.292 20 10 CECDMN C[NH+](C)C1(C)CN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237949904 808268195 /nfs/dbraw/zinc/26/81/95/808268195.db2.gz OMMVRUMTNBXFPJ-UHFFFAOYSA-N 0 1 272.751 2.321 20 10 CECDMN [O-]c1cccc(F)c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001137837349 809777707 /nfs/dbraw/zinc/77/77/07/809777707.db2.gz CCCUJHJQSDQLKS-LBPRGKRZSA-N 0 1 264.344 2.201 20 10 CECDMN O=c1ccc2c([nH]1)CC[N@H+](Cc1c([O-])cccc1F)CC2 ZINC001137839134 809815874 /nfs/dbraw/zinc/81/58/74/809815874.db2.gz STIDBMFFVOFZHQ-UHFFFAOYSA-N 0 1 288.322 2.233 20 10 CECDMN [O-]c1cccc(Br)c1C[NH2+]CC1(CO)CC1 ZINC000706863838 809858665 /nfs/dbraw/zinc/85/86/65/809858665.db2.gz QJLXOSTXBAVJSS-UHFFFAOYSA-N 0 1 286.169 2.017 20 10 CECDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCCO1 ZINC000706871487 809858695 /nfs/dbraw/zinc/85/86/95/809858695.db2.gz AFEDUBJAPVJNRI-VIFPVBQESA-N 0 1 286.169 2.423 20 10 CECDMN C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000708423269 809930106 /nfs/dbraw/zinc/93/01/06/809930106.db2.gz RCUQIOKDONGETG-VIFPVBQESA-N 0 1 257.280 2.281 20 10 CECDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000708441910 809931314 /nfs/dbraw/zinc/93/13/14/809931314.db2.gz LYIOOSRHGWOMIV-MWLCHTKSSA-N 0 1 269.291 2.139 20 10 CECDMN COc1cccc(CN2CCO[C@H](C(C)C)C2)c1O ZINC000709028500 809940090 /nfs/dbraw/zinc/94/00/90/809940090.db2.gz OIZGIHOYQONLGS-AWEZNQCLSA-N 0 1 265.353 2.258 20 10 CECDMN C[C@]1([NH2+]Cc2ccc(Br)cc2[O-])CCOC1 ZINC000691429598 811658160 /nfs/dbraw/zinc/65/81/60/811658160.db2.gz QQAOCTBGEHIOIH-LBPRGKRZSA-N 0 1 286.169 2.423 20 10 CECDMN CC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@H](C)O ZINC000691486630 811959282 /nfs/dbraw/zinc/95/92/82/811959282.db2.gz AYITYVZVHNWVKC-KWQFWETISA-N 0 1 288.185 2.404 20 10 CECDMN Cc1ccc(C)n1-c1ccc(NC[C@H]2COCCN2)cc1 ZINC001170045207 811998654 /nfs/dbraw/zinc/99/86/54/811998654.db2.gz QWZGKQLBVWYLGF-INIZCTEOSA-N 0 1 285.391 2.494 20 10 CECDMN COc1ccc(CN[C@@H](C)c2n[nH]c(C)n2)cc1C ZINC000392428239 813304288 /nfs/dbraw/zinc/30/42/88/813304288.db2.gz ZFSLQNAAEDVNPF-JTQLQIEISA-N 0 1 260.341 2.281 20 10 CECDMN Cn1ccc(CNCc2ccc(Br)cc2O)n1 ZINC000691477495 814594460 /nfs/dbraw/zinc/59/44/60/814594460.db2.gz SYMCCHKKGFULJG-UHFFFAOYSA-N 0 1 296.168 2.178 20 10 CECDMN Cc1cc(CN2C[C@H](F)C[C@@H](CO)C2)ccc1N(C)C ZINC001139669565 815618725 /nfs/dbraw/zinc/61/87/25/815618725.db2.gz AZJFOSJCMVXXBS-HUUCEWRRSA-N 0 1 280.387 2.213 20 10 CECDMN C[N@H+](Cc1c([O-])cccc1F)CC1CCOCC1 ZINC001137832048 815690514 /nfs/dbraw/zinc/69/05/14/815690514.db2.gz YNGSXLPVTYTATC-UHFFFAOYSA-N 0 1 253.317 2.390 20 10 CECDMN C[C@@]1(O)CCC[N@@H+](Cc2c([O-])cccc2F)CC1 ZINC001137831999 815691435 /nfs/dbraw/zinc/69/14/35/815691435.db2.gz WEWHKEGMFKAFMV-CQSZACIVSA-N 0 1 253.317 2.268 20 10 CECDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2F)CCC[C@H]1O ZINC001137832866 815693126 /nfs/dbraw/zinc/69/31/26/815693126.db2.gz KOQATAAMTAGRJT-GXFFZTMASA-N 0 1 253.317 2.124 20 10 CECDMN CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(F)c1[O-] ZINC001138125257 815734864 /nfs/dbraw/zinc/73/48/64/815734864.db2.gz MEIBSIJSBFDARU-MRXNPFEDSA-N 0 1 292.354 2.118 20 10 CECDMN COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])[C@@H]1C ZINC001138128371 815734917 /nfs/dbraw/zinc/73/49/17/815734917.db2.gz FUEPEAUBHZRMJO-PWSUYJOCSA-N 0 1 281.327 2.305 20 10 CECDMN Cc1c(CN2CCc3nncn3CC2)c2ccccc2n1C ZINC001138254198 815756964 /nfs/dbraw/zinc/75/69/64/815756964.db2.gz SKXUOOUYVAGEQW-UHFFFAOYSA-N 0 1 295.390 2.137 20 10 CECDMN Cc1cc(CN2CC3(CC(O)C3)C2)ccc1N(C)C ZINC001139669548 816076340 /nfs/dbraw/zinc/07/63/40/816076340.db2.gz ADIIPXWUVPVTPJ-UHFFFAOYSA-N 0 1 260.381 2.018 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001139686064 816081939 /nfs/dbraw/zinc/08/19/39/816081939.db2.gz MEIXIMFSGCWUGP-NOZJJQNGSA-N 0 1 269.291 2.281 20 10 CECDMN Cn1cc(C[N@H+](C)Cc2c(F)ccc(F)c2[O-])cn1 ZINC001139683811 816082458 /nfs/dbraw/zinc/08/24/58/816082458.db2.gz FAKBONUXNMPRCZ-UHFFFAOYSA-N 0 1 267.279 2.036 20 10 CECDMN Cn1cc(C[N@@H+](C)Cc2c(F)ccc(F)c2[O-])cn1 ZINC001139683811 816082462 /nfs/dbraw/zinc/08/24/62/816082462.db2.gz FAKBONUXNMPRCZ-UHFFFAOYSA-N 0 1 267.279 2.036 20 10 CECDMN C[N@@H+](C1CC1)[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686593 816083796 /nfs/dbraw/zinc/08/37/96/816083796.db2.gz BWQZUZVNGITOBN-LLVKDONJSA-N 0 1 282.334 2.339 20 10 CECDMN CC(=O)N1CCC[C@H]([N@@H+](C)Cc2c(F)ccc(F)c2[O-])C1 ZINC001139687854 816084496 /nfs/dbraw/zinc/08/44/96/816084496.db2.gz RUWCEJCKEDAXRG-NSHDSACASA-N 0 1 298.333 2.113 20 10 CECDMN CCOC(=O)C1(F)CCN(Cc2cc(F)ccc2O)CC1 ZINC001140055844 816179196 /nfs/dbraw/zinc/17/91/96/816179196.db2.gz XTQIYCOCDDCRQV-UHFFFAOYSA-N 0 1 299.317 2.399 20 10 CECDMN C[N@H+](CCC1OCCO1)Cc1c([O-])cccc1Cl ZINC001140341446 816237465 /nfs/dbraw/zinc/23/74/65/816237465.db2.gz OIEFFXHJDIXVTQ-UHFFFAOYSA-N 0 1 271.744 2.240 20 10 CECDMN C[N@@H+](CCC1OCCO1)Cc1c([O-])cccc1Cl ZINC001140341446 816237468 /nfs/dbraw/zinc/23/74/68/816237468.db2.gz OIEFFXHJDIXVTQ-UHFFFAOYSA-N 0 1 271.744 2.240 20 10 CECDMN O=C1NCC[C@]12CCC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140338442 816237476 /nfs/dbraw/zinc/23/74/76/816237476.db2.gz JELODPZMXWCTOW-HNNXBMFYSA-N 0 1 294.782 2.148 20 10 CECDMN O=C1NCC[C@]12CCC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140338442 816237480 /nfs/dbraw/zinc/23/74/80/816237480.db2.gz JELODPZMXWCTOW-HNNXBMFYSA-N 0 1 294.782 2.148 20 10 CECDMN C[C@@]1(CO)CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140337970 816238459 /nfs/dbraw/zinc/23/84/59/816238459.db2.gz PDOSLUYJXXHQFL-CYBMUJFWSA-N 0 1 255.745 2.250 20 10 CECDMN C[C@@]1(CO)CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140337970 816238462 /nfs/dbraw/zinc/23/84/62/816238462.db2.gz PDOSLUYJXXHQFL-CYBMUJFWSA-N 0 1 255.745 2.250 20 10 CECDMN COC(=O)C1CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140463148 816260407 /nfs/dbraw/zinc/26/04/07/816260407.db2.gz VBDBGCKJRYSPIE-UHFFFAOYSA-N 0 1 283.755 2.431 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H](O)CC1 ZINC001140461665 816260825 /nfs/dbraw/zinc/26/08/25/816260825.db2.gz PTARGIFDYCKGDV-LBPRGKRZSA-N 0 1 255.745 2.392 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC001140461665 816260831 /nfs/dbraw/zinc/26/08/31/816260831.db2.gz PTARGIFDYCKGDV-LBPRGKRZSA-N 0 1 255.745 2.392 20 10 CECDMN C[N@H+](CCC1OCCO1)Cc1ccc(Cl)cc1[O-] ZINC001140465942 816263177 /nfs/dbraw/zinc/26/31/77/816263177.db2.gz UQEQKWXMDOCKCZ-UHFFFAOYSA-N 0 1 271.744 2.240 20 10 CECDMN C[N@@H+](CCC1OCCO1)Cc1ccc(Cl)cc1[O-] ZINC001140465942 816263183 /nfs/dbraw/zinc/26/31/83/816263183.db2.gz UQEQKWXMDOCKCZ-UHFFFAOYSA-N 0 1 271.744 2.240 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001140583482 816292860 /nfs/dbraw/zinc/29/28/60/816292860.db2.gz IQSXOINLLIFQMK-LLVKDONJSA-N 0 1 294.305 2.099 20 10 CECDMN CCN(CC)c1ccc(CN(C)C2(C)COC2)c(O)c1 ZINC001140855998 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CC(=O)N1CCC(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185377571 368799895 /nfs/dbraw/zinc/79/98/95/368799895.db2.gz MHSSGGWKKNWKNK-LLVKDONJSA-N 0 1 294.370 2.440 20 10 CECDMN COC(=O)[C@@]1(C)CCCN1Cc1ccc(N(C)C)cc1 ZINC000189990870 369586504 /nfs/dbraw/zinc/58/65/04/369586504.db2.gz GDGSRVISFLSORY-MRXNPFEDSA-N 0 1 276.380 2.280 20 10 CECDMN Cc1ccc(O)c(CN2CC[S@](=O)CC[C@@H]2C)c1 ZINC000365444848 372862184 /nfs/dbraw/zinc/86/21/84/372862184.db2.gz AQNINEDDQNWKSG-KPZWWZAWSA-N 0 1 267.394 2.044 20 10 CECDMN CC(=O)c1cc(F)cc(CN2[C@H](C)CCC[C@@H]2CO)c1O ZINC000272697741 373618861 /nfs/dbraw/zinc/61/88/61/373618861.db2.gz VPHMXEKKOIMKPZ-QMTHXVAHSA-N 0 1 295.354 2.469 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)CCC[C@@H]2CO)c1[O-] ZINC000272697741 373618867 /nfs/dbraw/zinc/61/88/67/373618867.db2.gz VPHMXEKKOIMKPZ-QMTHXVAHSA-N 0 1 295.354 2.469 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2[C@H](C)CCC[C@@H]2CO)c1[O-] ZINC000272697741 373618874 /nfs/dbraw/zinc/61/88/74/373618874.db2.gz 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WXURHPWIAWNRKH-NSHDSACASA-N 0 1 275.352 2.468 20 10 CECDMN C[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@]2(CCOC2)O1 ZINC000894629667 629565812 /nfs/dbraw/zinc/56/58/12/629565812.db2.gz MCJNWNWTFJDRBZ-BONVTDFDSA-N 0 1 299.317 2.050 20 10 CECDMN C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783209 629639654 /nfs/dbraw/zinc/63/96/54/629639654.db2.gz QTWZINOWQXANEW-IINYFYTJSA-N 0 1 284.350 2.442 20 10 CECDMN Cc1nnc([C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)[nH]1 ZINC000895013232 629795841 /nfs/dbraw/zinc/79/58/41/629795841.db2.gz YUUNRFZGDVGGCU-VIFPVBQESA-N 0 1 294.305 2.086 20 10 CECDMN Cc1n[nH]c([C@H]2CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)n1 ZINC000895013232 629795842 /nfs/dbraw/zinc/79/58/42/629795842.db2.gz YUUNRFZGDVGGCU-VIFPVBQESA-N 0 1 294.305 2.086 20 10 CECDMN Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)n1 ZINC000895013232 629795846 /nfs/dbraw/zinc/79/58/46/629795846.db2.gz YUUNRFZGDVGGCU-VIFPVBQESA-N 0 1 294.305 2.086 20 10 CECDMN Cc1cc(O)c(CN2[C@H](C)C(=O)N[C@H](C)[C@H]2C)cc1C ZINC000895117745 629917846 /nfs/dbraw/zinc/91/78/46/629917846.db2.gz WAYHFRCQWAUNNZ-JHJVBQTASA-N 0 1 276.380 2.106 20 10 CECDMN CC(=O)OC[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000895156061 629972502 /nfs/dbraw/zinc/97/25/02/629972502.db2.gz RHDYAZJFJVKNDJ-QMMMGPOBSA-N 0 1 257.717 2.087 20 10 CECDMN C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(F)cc(F)c1[O-])C2 ZINC000895274782 630072973 /nfs/dbraw/zinc/07/29/73/630072973.db2.gz KLHBWJMMZZRECR-IINYFYTJSA-N 0 1 269.291 2.139 20 10 CECDMN CCc1cccc(CN2CCc3ncncc3C2)c1O ZINC000895724806 630316219 /nfs/dbraw/zinc/31/62/19/630316219.db2.gz ULRMXGYUXHRYMA-UHFFFAOYSA-N 0 1 269.348 2.303 20 10 CECDMN C[C@@H]1CCc2n[nH]c(C(=O)NCc3ccccc3O)c2C1 ZINC000896015647 630439238 /nfs/dbraw/zinc/43/92/38/630439238.db2.gz QQNTWKMTUBFRED-SNVBAGLBSA-N 0 1 285.347 2.170 20 10 CECDMN O=C1C[C@@H](CC[NH2+]Cc2ccc3ccccc3c2[O-])CN1 ZINC000896897825 630768278 /nfs/dbraw/zinc/76/82/78/630768278.db2.gz WJHFAOUQHOOKAU-GFCCVEGCSA-N 0 1 284.359 2.161 20 10 CECDMN CC[C@H]([NH2+][C@@H](CO)CCOC)c1cc(Cl)ccc1[O-] ZINC000798941197 630955577 /nfs/dbraw/zinc/95/55/77/630955577.db2.gz WNIJPNBLCDFFNU-YPMHNXCESA-N 0 1 287.787 2.484 20 10 CECDMN O=C(NCc1ccccc1O)c1cn[nH]c1-c1ccccn1 ZINC000810275971 632202033 /nfs/dbraw/zinc/20/20/33/632202033.db2.gz XYPVZDHLBWHIRB-UHFFFAOYSA-N 0 1 294.314 2.107 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](C)C(=O)NC(C)C)cc1Cl ZINC000826123686 635764961 /nfs/dbraw/zinc/76/49/61/635764961.db2.gz SSJUZZZYMRXWSL-SNVBAGLBSA-N 0 1 284.787 2.357 20 10 CECDMN CCNC(=O)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(C)C ZINC000815145385 632972016 /nfs/dbraw/zinc/97/20/16/632972016.db2.gz SLBPTXLVESIJAP-ZDUSSCGKSA-N 0 1 284.787 2.296 20 10 CECDMN CN1CC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816548385 633410117 /nfs/dbraw/zinc/41/01/17/633410117.db2.gz FYCDCTTYRFXZOJ-AWEZNQCLSA-N 0 1 256.349 2.339 20 10 CECDMN COC[C@@H](O)CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816559616 633412839 /nfs/dbraw/zinc/41/28/39/633412839.db2.gz PJJNYUFMMLCOIL-AWEZNQCLSA-N 0 1 275.348 2.032 20 10 CECDMN CCC[N@@H+](CC(N)=O)Cc1ccc2ccccc2c1O ZINC000816617162 633451081 /nfs/dbraw/zinc/45/10/81/633451081.db2.gz PTCMGMRHBOEDLY-UHFFFAOYSA-N 0 1 272.348 2.243 20 10 CECDMN COC[C@@H]1CC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000816637056 633454147 /nfs/dbraw/zinc/45/41/47/633454147.db2.gz PTRVPCFBESWIKQ-JTQLQIEISA-N 0 1 286.169 2.375 20 10 CECDMN CC(C)C[C@@H](C[NH2+]Cc1cccc(F)c1O)C(=O)[O-] ZINC000818630486 633966660 /nfs/dbraw/zinc/96/66/60/633966660.db2.gz LWXQZHDIRIORGN-NSHDSACASA-N 0 1 269.316 2.368 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2CO)cc1Cl ZINC000824547969 635448089 /nfs/dbraw/zinc/44/80/89/635448089.db2.gz GESVVGUJQQUJGT-LLVKDONJSA-N 0 1 255.745 2.311 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000824547969 635448093 /nfs/dbraw/zinc/44/80/93/635448093.db2.gz GESVVGUJQQUJGT-LLVKDONJSA-N 0 1 255.745 2.311 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000824617392 635463658 /nfs/dbraw/zinc/46/36/58/635463658.db2.gz 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ZINC000093645158 500767231 /nfs/dbraw/zinc/76/72/31/500767231.db2.gz QENJBRLUKCFZNA-INIZCTEOSA-N 0 1 260.381 2.363 20 10 CECDMN CCN(C)C(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299376197 520147268 /nfs/dbraw/zinc/14/72/68/520147268.db2.gz HYTXKCIBOLEUDD-UHFFFAOYSA-N 0 1 289.423 2.195 20 10 CECDMN COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cc(C)ccc1O ZINC000274896523 523762525 /nfs/dbraw/zinc/76/25/25/523762525.db2.gz GAQCAXXALIPWGW-JSGCOSHPSA-N 0 1 277.364 2.474 20 10 CECDMN CNC(=O)CC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000129606073 524056208 /nfs/dbraw/zinc/05/62/08/524056208.db2.gz RHBPXLVXXQHBFP-UHFFFAOYSA-N 0 1 296.798 2.394 20 10 CECDMN C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000131041587 524658501 /nfs/dbraw/zinc/65/85/01/524658501.db2.gz JUQJAQWLMOTIMH-XLFHBGCDSA-N 0 1 275.801 2.244 20 10 CECDMN C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000273536960 525542463 /nfs/dbraw/zinc/54/24/63/525542463.db2.gz XOEKHWIGISUDCH-ZANVPECISA-N 0 1 295.770 2.163 20 10 CECDMN Oc1ccc(F)cc1CN1CCCN(CC(F)F)CC1 ZINC000290308264 526349511 /nfs/dbraw/zinc/34/95/11/526349511.db2.gz BXDBGYAJSKJAFA-UHFFFAOYSA-N 0 1 288.313 2.304 20 10 CECDMN C[C@H](CNC(=O)C1=CC(=O)CS1)N1CCC(C)CC1 ZINC000731871420 574604561 /nfs/dbraw/zinc/60/45/61/574604561.db2.gz KBBUMTBZVLPFSN-LLVKDONJSA-N 0 1 282.409 2.304 20 10 CECDMN COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756576496 574821954 /nfs/dbraw/zinc/82/19/54/574821954.db2.gz NMHGRFZBHKLJLI-RNCFNFMXSA-N 0 1 273.760 2.094 20 10 CECDMN Cc1cc(O)c(C[N@H+]2CCN(C(=O)[O-])[C@@H](C)C2)cc1C ZINC000740088203 574941755 /nfs/dbraw/zinc/94/17/55/574941755.db2.gz FGEHXIBKZLIIBQ-LBPRGKRZSA-N 0 1 278.352 2.193 20 10 CECDMN CC(C)C[C@@H]([NH2+]Cc1cccc(F)c1O)C(=O)[O-] ZINC000158743327 598212811 /nfs/dbraw/zinc/21/28/11/598212811.db2.gz KJUAQBFUFAZDSW-LLVKDONJSA-N 0 1 255.289 2.120 20 10 CECDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000833504535 604765452 /nfs/dbraw/zinc/76/54/52/604765452.db2.gz CTUBDWFHXHCMQL-HNNXBMFYSA-N 0 1 294.395 2.063 20 10 CECDMN O=C([O-])NC[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000834214727 605567870 /nfs/dbraw/zinc/56/78/70/605567870.db2.gz IXYJXSIKBYNOLI-SNVBAGLBSA-N 0 1 282.315 2.011 20 10 CECDMN O=C([O-])NC[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000834214727 605567873 /nfs/dbraw/zinc/56/78/73/605567873.db2.gz IXYJXSIKBYNOLI-SNVBAGLBSA-N 0 1 282.315 2.011 20 10 CECDMN C[NH+]1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890760680 622931796 /nfs/dbraw/zinc/93/17/96/622931796.db2.gz VXSRCXBRHRMAFZ-UHFFFAOYSA-N 0 1 282.771 2.004 20 10 CECDMN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000092941441 624111449 /nfs/dbraw/zinc/11/14/49/624111449.db2.gz VHEPSSFIRALJFF-SMDDNHRTSA-N 0 1 262.353 2.048 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000051991987 624725679 /nfs/dbraw/zinc/72/56/79/624725679.db2.gz MKZZKCWSHOHZHN-DGCLKSJQSA-N 0 1 255.745 2.439 20 10 CECDMN COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000000176884 625047793 /nfs/dbraw/zinc/04/77/93/625047793.db2.gz DCCXPTQVFZFDSG-RVDMUPIBSA-N 0 1 294.310 2.157 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(CO)CCCC1 ZINC000053044658 625097749 /nfs/dbraw/zinc/09/77/49/625097749.db2.gz BIHSWGOMSPTYCQ-UHFFFAOYSA-N 0 1 255.745 2.440 20 10 CECDMN COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000092643775 628297348 /nfs/dbraw/zinc/29/73/48/628297348.db2.gz ZPBFUKOEFKZKQD-JTQLQIEISA-N 0 1 283.755 2.431 20 10 CECDMN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000092643775 628297349 /nfs/dbraw/zinc/29/73/49/628297349.db2.gz ZPBFUKOEFKZKQD-JTQLQIEISA-N 0 1 283.755 2.431 20 10 CECDMN Cc1cc([O-])c(C[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000840909959 628376730 /nfs/dbraw/zinc/37/67/30/628376730.db2.gz NVAHAUYTUOODRR-UHFFFAOYSA-N 0 1 255.745 2.311 20 10 CECDMN C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1ccc(F)cc1[O-] ZINC000902450624 634673435 /nfs/dbraw/zinc/67/34/35/634673435.db2.gz UJMNELXZUOHTHY-RNCFNFMXSA-N 0 1 252.333 2.180 20 10 CECDMN CCN1C[C@@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)CC1=O ZINC000840950489 628846249 /nfs/dbraw/zinc/84/62/49/628846249.db2.gz KXQRURFOWFSYCR-JTQLQIEISA-N 0 1 282.771 2.064 20 10 CECDMN [O-]c1ccc(Br)cc1C[NH2+]Cc1cn[nH]c1 ZINC000236616232 628977405 /nfs/dbraw/zinc/97/74/05/628977405.db2.gz FAMBJZAUYVSZJK-UHFFFAOYSA-N 0 1 282.141 2.168 20 10 CECDMN CCOC(=O)CN(CC)Cc1cc(F)cc(F)c1O ZINC000893969975 629068421 /nfs/dbraw/zinc/06/84/21/629068421.db2.gz VVRSNFIOCYCUIZ-UHFFFAOYSA-N 0 1 273.279 2.055 20 10 CECDMN Oc1cc2c(cc1CN1CCOC[C@H]1CC1CC1)OCO2 ZINC000902540092 634707065 /nfs/dbraw/zinc/70/70/65/634707065.db2.gz WBACYYNNWNHDPQ-CYBMUJFWSA-N 0 1 291.347 2.122 20 10 CECDMN CC(C)OC(=O)[C@H](C)N(C)Cc1cc(F)cc(F)c1O ZINC000894075747 629116330 /nfs/dbraw/zinc/11/63/30/629116330.db2.gz JCHRHDFMYHMOTI-VIFPVBQESA-N 0 1 287.306 2.442 20 10 CECDMN CCn1ncnc1CN[C@@H](C)c1cc(C)ccc1O ZINC000794840308 629333263 /nfs/dbraw/zinc/33/32/63/629333263.db2.gz IGJVUSMTZQPBFW-NSHDSACASA-N 0 1 260.341 2.163 20 10 CECDMN CC[C@H]1C(=O)N(CC)CCN1Cc1cc(F)cc(F)c1O ZINC000894504287 629499871 /nfs/dbraw/zinc/49/98/71/629499871.db2.gz NKKPITYBOSMMRP-ZDUSSCGKSA-N 0 1 298.333 2.113 20 10 CECDMN COC1CN(Cc2cc(Br)cc(F)c2O)C1 ZINC000894970531 629773470 /nfs/dbraw/zinc/77/34/70/629773470.db2.gz FLMFWGHWBFDLKT-UHFFFAOYSA-N 0 1 290.132 2.124 20 10 CECDMN NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2O)C1 ZINC000895004476 629789171 /nfs/dbraw/zinc/78/91/71/629789171.db2.gz QUHSPUTXCABPGV-GOSISDBHSA-N 0 1 296.370 2.021 20 10 CECDMN Cc1nnc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)[nH]1 ZINC000895006650 629800604 /nfs/dbraw/zinc/80/06/04/629800604.db2.gz AGZBUDYKBJDZTH-NSHDSACASA-N 0 1 292.770 2.462 20 10 CECDMN Cc1n[nH]c([C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000895006650 629800609 /nfs/dbraw/zinc/80/06/09/629800609.db2.gz AGZBUDYKBJDZTH-NSHDSACASA-N 0 1 292.770 2.462 20 10 CECDMN Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000895006650 629800615 /nfs/dbraw/zinc/80/06/15/629800615.db2.gz AGZBUDYKBJDZTH-NSHDSACASA-N 0 1 292.770 2.462 20 10 CECDMN Cc1nc([C@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)n[nH]1 ZINC000895006650 629800616 /nfs/dbraw/zinc/80/06/16/629800616.db2.gz AGZBUDYKBJDZTH-NSHDSACASA-N 0 1 292.770 2.462 20 10 CECDMN Cc1nc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n[nH]1 ZINC000895006650 629800623 /nfs/dbraw/zinc/80/06/23/629800623.db2.gz AGZBUDYKBJDZTH-NSHDSACASA-N 0 1 292.770 2.462 20 10 CECDMN Cc1cccc(CN2CCc3ncncc3C2)c1O ZINC000895722076 630314659 /nfs/dbraw/zinc/31/46/59/630314659.db2.gz CITYUADICUHIBB-UHFFFAOYSA-N 0 1 255.321 2.049 20 10 CECDMN C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1Cc1cc(F)cc(F)c1O ZINC000895924115 630404747 /nfs/dbraw/zinc/40/47/47/630404747.db2.gz ZKJXROAGRHGRMF-KXUCPTDWSA-N 0 1 298.333 2.110 20 10 CECDMN C[C@@H]1[C@@H](C)N(Cc2cc(F)cc(F)c2O)[C@@H](C)C(=O)N1C ZINC000895924114 630404934 /nfs/dbraw/zinc/40/49/34/630404934.db2.gz ZKJXROAGRHGRMF-BBBLOLIVSA-N 0 1 298.333 2.110 20 10 CECDMN CCOC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000896961855 630845045 /nfs/dbraw/zinc/84/50/45/630845045.db2.gz GBGJRJNGMOWBBU-SNVBAGLBSA-N 0 1 283.755 2.431 20 10 CECDMN CCOC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000896961855 630845054 /nfs/dbraw/zinc/84/50/54/630845054.db2.gz GBGJRJNGMOWBBU-SNVBAGLBSA-N 0 1 283.755 2.431 20 10 CECDMN Cc1cccc(CN2CCC[C@H](S(C)(=O)=O)CC2)c1O ZINC000800534162 631133400 /nfs/dbraw/zinc/13/34/00/631133400.db2.gz XHFNDGWBMWDILT-AWEZNQCLSA-N 0 1 297.420 2.100 20 10 CECDMN CC[C@H](CO)[N@H+](C)Cc1c([O-])cccc1Br ZINC000862381803 631334797 /nfs/dbraw/zinc/33/47/97/631334797.db2.gz HYNLMZSCNSHZHF-SECBINFHSA-N 0 1 288.185 2.357 20 10 CECDMN CC[C@H](CO)[N@@H+](C)Cc1c([O-])cccc1Br ZINC000862381803 631334799 /nfs/dbraw/zinc/33/47/99/631334799.db2.gz HYNLMZSCNSHZHF-SECBINFHSA-N 0 1 288.185 2.357 20 10 CECDMN OC[C@]1(F)CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000802660521 631442084 /nfs/dbraw/zinc/44/20/84/631442084.db2.gz OBHPGXNNDKKSSR-LBPRGKRZSA-N 0 1 277.698 2.091 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898206083 632086285 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ZINC000824960494 635532138 /nfs/dbraw/zinc/53/21/38/635532138.db2.gz XNMRXRXOQXEKAD-SKDRFNHKSA-N 0 1 255.745 2.309 20 10 CECDMN COCCOCCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825064162 635557219 /nfs/dbraw/zinc/55/72/19/635557219.db2.gz IVZSQJQXBMXWSY-UHFFFAOYSA-N 0 1 287.787 2.497 20 10 CECDMN CC(C)OC(=O)[C@H](C)NCc1cccc(Cl)c1O ZINC000825117480 635571988 /nfs/dbraw/zinc/57/19/88/635571988.db2.gz FKJOULBWWOJPFK-VIFPVBQESA-N 0 1 271.744 2.475 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)N(C)C)cc1Cl ZINC000825425548 635636844 /nfs/dbraw/zinc/63/68/44/635636844.db2.gz BTFZGMROEJHVOG-JTQLQIEISA-N 0 1 256.777 2.394 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCc2ccnn2C)cc1Cl ZINC000825519390 635651753 /nfs/dbraw/zinc/65/17/53/635651753.db2.gz DVFSLXVMHUTIHA-UHFFFAOYSA-N 0 1 279.771 2.420 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](CO)CCF)cc1Cl ZINC000826142535 635765598 /nfs/dbraw/zinc/76/55/98/635765598.db2.gz DUMFLMNRTGNOHB-JTQLQIEISA-N 0 1 261.724 2.164 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827289822 636282733 /nfs/dbraw/zinc/28/27/33/636282733.db2.gz DFEUKRPSVSWOLA-GXFFZTMASA-N 0 1 253.729 2.002 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827289822 636282735 /nfs/dbraw/zinc/28/27/35/636282735.db2.gz DFEUKRPSVSWOLA-GXFFZTMASA-N 0 1 253.729 2.002 20 10 CECDMN CN1CC[N@H+](Cc2ccc3ccccc3c2[O-])CCC1=O ZINC000827359510 636304135 /nfs/dbraw/zinc/30/41/35/636304135.db2.gz OYLMTSVAHZPIMF-UHFFFAOYSA-N 0 1 284.359 2.210 20 10 CECDMN CN1CC[N@@H+](Cc2ccc3ccccc3c2[O-])CCC1=O ZINC000827359510 636304144 /nfs/dbraw/zinc/30/41/44/636304144.db2.gz OYLMTSVAHZPIMF-UHFFFAOYSA-N 0 1 284.359 2.210 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C2([C@H](C)O)CC2)cc1Cl ZINC000827585230 636359832 /nfs/dbraw/zinc/35/98/32/636359832.db2.gz CQOYVOKYWBDTFG-VIFPVBQESA-N 0 1 255.745 2.357 20 10 CECDMN C[C@@H](NC(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1O ZINC000827941668 636465100 /nfs/dbraw/zinc/46/51/00/636465100.db2.gz VHRPFNOGBRMXTA-LLVKDONJSA-N 0 1 299.374 2.414 20 10 CECDMN C[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccccc1O ZINC000827964050 636472313 /nfs/dbraw/zinc/47/23/13/636472313.db2.gz GMUIBGIWPLQZLF-QWRGUYRKSA-N 0 1 285.347 2.098 20 10 CECDMN C/C=C/[C@H](O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000908213761 637265771 /nfs/dbraw/zinc/26/57/71/637265771.db2.gz ZDGCBZZHUPKGJE-PBKGFPTLSA-N 0 1 290.146 2.252 20 10 CECDMN Cc1cc(CN)oc1C(=O)N(C)Cc1ccccc1O ZINC000876605896 650356288 /nfs/dbraw/zinc/35/62/88/650356288.db2.gz QMKHQOGVOMHAFR-UHFFFAOYSA-N 0 1 274.320 2.025 20 10 CECDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000876692085 650402502 /nfs/dbraw/zinc/40/25/02/650402502.db2.gz NDSZLMDBBROPAI-GFCCVEGCSA-N 0 1 282.334 2.339 20 10 CECDMN CN(Cc1ccc(F)c(F)c1[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876692085 650402504 /nfs/dbraw/zinc/40/25/04/650402504.db2.gz NDSZLMDBBROPAI-GFCCVEGCSA-N 0 1 282.334 2.339 20 10 CECDMN CN(Cc1ccc(F)c(F)c1[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876692085 650402507 /nfs/dbraw/zinc/40/25/07/650402507.db2.gz NDSZLMDBBROPAI-GFCCVEGCSA-N 0 1 282.334 2.339 20 10 CECDMN C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1ccc(F)c(F)c1O ZINC000876755287 650421344 /nfs/dbraw/zinc/42/13/44/650421344.db2.gz JDFJUHRXKQEMRF-MGOSUKFUSA-N 0 1 289.347 2.012 20 10 CECDMN [O-]c1c(C[N@@H+]2CCOC3(CCOCC3)C2)ccc(F)c1F ZINC000876804322 650439679 /nfs/dbraw/zinc/43/96/79/650439679.db2.gz OKSWRBKZBDPVSP-UHFFFAOYSA-N 0 1 299.317 2.052 20 10 CECDMN [O-]c1c(C[N@H+]2CCOC3(CCOCC3)C2)ccc(F)c1F ZINC000876804322 650439681 /nfs/dbraw/zinc/43/96/81/650439681.db2.gz OKSWRBKZBDPVSP-UHFFFAOYSA-N 0 1 299.317 2.052 20 10 CECDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000164233150 639355369 /nfs/dbraw/zinc/35/53/69/639355369.db2.gz BWSMVPALEOBBMB-JQWIXIFHSA-N 0 1 286.169 2.158 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@H](O)C(C)C)c(Cl)c1 ZINC000840899748 639577430 /nfs/dbraw/zinc/57/74/30/639577430.db2.gz YORBXEBYOLJNFC-ZDUSSCGKSA-N 0 1 257.761 2.461 20 10 CECDMN Cc1cc(N(C)C)ccc1CN(C)Cc1cnn(C)c1 ZINC000840909832 639582686 /nfs/dbraw/zinc/58/26/86/639582686.db2.gz LCFYSXSVIZRPJQ-UHFFFAOYSA-N 0 1 272.396 2.427 20 10 CECDMN COC(=O)c1coc(CNCc2ccccc2O)c1 ZINC000168904907 639589859 /nfs/dbraw/zinc/58/98/59/639589859.db2.gz OENBHVZGZQDDDR-UHFFFAOYSA-N 0 1 261.277 2.062 20 10 CECDMN CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841745312 639856572 /nfs/dbraw/zinc/85/65/72/639856572.db2.gz XHHWYAKLABWUSS-IUCAKERBSA-N 0 1 270.760 2.221 20 10 CECDMN CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841762980 639860342 /nfs/dbraw/zinc/86/03/42/639860342.db2.gz LFNJDBAZXOAWDZ-HUTHGQBESA-N 0 1 275.801 2.465 20 10 CECDMN O=C(NCc1c(O)ccc2c1CCCC2)C(F)(F)F ZINC000174512291 639931589 /nfs/dbraw/zinc/93/15/89/639931589.db2.gz ISFXUPCWAZHSAY-UHFFFAOYSA-N 0 1 273.254 2.450 20 10 CECDMN COc1ncncc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000842699166 640153964 /nfs/dbraw/zinc/15/39/64/640153964.db2.gz JBZOQXMOBNJYOK-LBPRGKRZSA-N 0 1 286.379 2.402 20 10 CECDMN O=C(CCC[NH2+]Cc1cc(Cl)ccc1[O-])NC1CC1 ZINC000112017128 640806846 /nfs/dbraw/zinc/80/68/46/640806846.db2.gz ZHGATMAZTDQINW-UHFFFAOYSA-N 0 1 282.771 2.194 20 10 CECDMN CCN1C[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)CC1=O ZINC000846094899 641178982 /nfs/dbraw/zinc/17/89/82/641178982.db2.gz UYXPGCANXPXUFD-SNVBAGLBSA-N 0 1 282.771 2.004 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846110815 641186044 /nfs/dbraw/zinc/18/60/44/641186044.db2.gz NZCPDRIXSPPWCA-AWEZNQCLSA-N 0 1 285.771 2.067 20 10 CECDMN CCN(C)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)[O-])cc1 ZINC000846224228 641232583 /nfs/dbraw/zinc/23/25/83/641232583.db2.gz HZRLNLWLCRSWDB-NSHDSACASA-N 0 1 250.342 2.048 20 10 CECDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1(CO)CCC1 ZINC000184369664 641858956 /nfs/dbraw/zinc/85/89/56/641858956.db2.gz DIGGHTYQVZHOCR-UHFFFAOYSA-N 0 1 255.745 2.298 20 10 CECDMN Cc1cccc(O)c1CN1CCO[C@H](COC(C)C)C1 ZINC000877404088 650708749 /nfs/dbraw/zinc/70/87/49/650708749.db2.gz YFGVUPBIXWHGNT-AWEZNQCLSA-N 0 1 279.380 2.326 20 10 CECDMN CO[C@@](C)(CO)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000848556423 642051695 /nfs/dbraw/zinc/05/16/95/642051695.db2.gz XNHGEMIJDDMGJW-TVQRCGJNSA-N 0 1 273.760 2.094 20 10 CECDMN NC(=O)C1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000083552746 642205741 /nfs/dbraw/zinc/20/57/41/642205741.db2.gz VBLMTPUYKPDIJW-UHFFFAOYSA-N 0 1 282.771 2.179 20 10 CECDMN CCN(CC)C(=[NH2+])NCc1cc(Cl)ccc1[O-] ZINC000849050337 642258401 /nfs/dbraw/zinc/25/84/01/642258401.db2.gz ZVNJLVVULJTVIK-UHFFFAOYSA-N 0 1 255.749 2.412 20 10 CECDMN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@]2(CCOC2)O1 ZINC000877492384 650748572 /nfs/dbraw/zinc/74/85/72/650748572.db2.gz JEHGHJFPCBRZTN-BMIGLBTASA-N 0 1 299.317 2.050 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@]2(CCOC2)O1 ZINC000877492384 650748575 /nfs/dbraw/zinc/74/85/75/650748575.db2.gz JEHGHJFPCBRZTN-BMIGLBTASA-N 0 1 299.317 2.050 20 10 CECDMN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877528823 650769476 /nfs/dbraw/zinc/76/94/76/650769476.db2.gz LTYSJOTVEHMMPS-LLVKDONJSA-N 0 1 293.317 2.393 20 10 CECDMN CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1CCOC1 ZINC000850344527 642674176 /nfs/dbraw/zinc/67/41/76/642674176.db2.gz LSQGPMCNULBLMC-HZMBPMFUSA-N 0 1 285.771 2.187 20 10 CECDMN C[C@@H]([NH2+]C/C=C\CO)c1ccc(Br)cc1[O-] ZINC000850507910 642735203 /nfs/dbraw/zinc/73/52/03/642735203.db2.gz IXKQIKFBZNZGSM-PKRMOACSSA-N 0 1 286.169 2.354 20 10 CECDMN [O-]c1c(C[N@@H+]2CC[C@@H](CCCO)C2)ccc(F)c1F ZINC000877576287 650797153 /nfs/dbraw/zinc/79/71/53/650797153.db2.gz IPNDORYFNYIZJD-SNVBAGLBSA-N 0 1 271.307 2.265 20 10 CECDMN C[C@H](C(=O)NC(C)(C)C)N(C)Cc1ccccc1O ZINC000109769228 642925062 /nfs/dbraw/zinc/92/50/62/642925062.db2.gz RRFDOUKMRIGHEQ-LLVKDONJSA-N 0 1 264.369 2.127 20 10 CECDMN O=C1C[C@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CN1 ZINC000851771602 643154116 /nfs/dbraw/zinc/15/41/16/643154116.db2.gz JZFJWXYFHLNHLL-ZDUSSCGKSA-N 0 1 288.391 2.273 20 10 CECDMN O=C1C[C@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)CN1 ZINC000851771602 643154119 /nfs/dbraw/zinc/15/41/19/643154119.db2.gz JZFJWXYFHLNHLL-ZDUSSCGKSA-N 0 1 288.391 2.273 20 10 CECDMN CN(C)c1ccc(CNCc2cncc(O)c2)cc1 ZINC000922976778 643492032 /nfs/dbraw/zinc/49/20/32/643492032.db2.gz GDWXFKJEEXFUCC-UHFFFAOYSA-N 0 1 257.337 2.143 20 10 CECDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923005146 643509611 /nfs/dbraw/zinc/50/96/11/643509611.db2.gz JUQOPXLZBQUTPO-KYZUINATSA-N 0 1 286.169 2.015 20 10 CECDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853586983 643824048 /nfs/dbraw/zinc/82/40/48/643824048.db2.gz CJVYXJKYQWTKRY-UONOGXRCSA-N 0 1 284.359 2.409 20 10 CECDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853586983 643824054 /nfs/dbraw/zinc/82/40/54/643824054.db2.gz CJVYXJKYQWTKRY-UONOGXRCSA-N 0 1 284.359 2.409 20 10 CECDMN [O-]c1c(C[NH2+]C[C@H]2C[C@H](O)C2)ccc2ccccc21 ZINC000877811470 650918212 /nfs/dbraw/zinc/91/82/12/650918212.db2.gz LJKAEFAPFVAXQG-YEORSEQZSA-N 0 1 257.333 2.406 20 10 CECDMN CN(C)c1cc(F)c(CNCCn2cccn2)cc1F ZINC000858105134 645061860 /nfs/dbraw/zinc/06/18/60/645061860.db2.gz JWDFOGNETFUDDW-UHFFFAOYSA-N 0 1 280.322 2.017 20 10 CECDMN COc1cc(CNCc2cn[nH]n2)c(O)c(C(C)(C)C)c1 ZINC000858196979 645086468 /nfs/dbraw/zinc/08/64/68/645086468.db2.gz AZKGRUNCISUROZ-UHFFFAOYSA-N 0 1 290.367 2.106 20 10 CECDMN C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Cl)ccc1[O-] ZINC000858522537 645191024 /nfs/dbraw/zinc/19/10/24/645191024.db2.gz FTRKZNCWEDNIHR-ZYHUDNBSSA-N 0 1 284.787 2.027 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1[O-] ZINC000860129396 645707510 /nfs/dbraw/zinc/70/75/10/645707510.db2.gz PTYZZRKJJYLMBY-COLVAYQJSA-N 0 1 293.338 2.079 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1[O-] ZINC000860129396 645707515 /nfs/dbraw/zinc/70/75/15/645707515.db2.gz PTYZZRKJJYLMBY-COLVAYQJSA-N 0 1 293.338 2.079 20 10 CECDMN [NH2+]=C(NCc1cc(Cl)ccc1[O-])NCC1CC1 ZINC000887363388 645850553 /nfs/dbraw/zinc/85/05/53/645850553.db2.gz VNDIYYJEYJCRMN-UHFFFAOYSA-N 0 1 253.733 2.070 20 10 CECDMN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C(C1CC1)C1CC1 ZINC000768444646 646124180 /nfs/dbraw/zinc/12/41/80/646124180.db2.gz MUGAFHVWICFNIR-HNNXBMFYSA-N 0 1 289.375 2.438 20 10 CECDMN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C(C1CC1)C1CC1 ZINC000768444646 646124186 /nfs/dbraw/zinc/12/41/86/646124186.db2.gz MUGAFHVWICFNIR-HNNXBMFYSA-N 0 1 289.375 2.438 20 10 CECDMN COc1ccc(CNCc2nc(C)c(C)[nH]2)c(O)c1 ZINC000862353666 646408101 /nfs/dbraw/zinc/40/81/01/646408101.db2.gz WCQFELPVAQHHAE-UHFFFAOYSA-N 0 1 261.325 2.031 20 10 CECDMN CO[C@H](C)CN(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862366524 646416615 /nfs/dbraw/zinc/41/66/15/646416615.db2.gz RTMCLWQJMSTRDK-SNVBAGLBSA-N 0 1 272.339 2.498 20 10 CECDMN Cc1ccc(O)c(CNC(=O)Cc2n[nH]c3c2CCCC3)c1 ZINC000862757533 646558514 /nfs/dbraw/zinc/55/85/14/646558514.db2.gz XMLMDUANHDVODF-UHFFFAOYSA-N 0 1 299.374 2.161 20 10 CECDMN CCOc1ccc(CN2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000772600557 646647660 /nfs/dbraw/zinc/64/76/60/646647660.db2.gz OOQQBHOWXUAIGF-VXGBXAGGSA-N 0 1 265.353 2.400 20 10 CECDMN CCOc1ccc(CN2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC000772600555 646648003 /nfs/dbraw/zinc/64/80/03/646648003.db2.gz OOQQBHOWXUAIGF-RYUDHWBXSA-N 0 1 265.353 2.400 20 10 CECDMN CCCN(CC(=O)N(C)C)Cc1ccc(N(C)CC)cc1 ZINC000773745371 646771973 /nfs/dbraw/zinc/77/19/73/646771973.db2.gz BGUOVMFPWLODNH-UHFFFAOYSA-N 0 1 291.439 2.443 20 10 CECDMN COC(=O)c1cccc(CN(C)Cc2ccccc2O)n1 ZINC000773775307 646775562 /nfs/dbraw/zinc/77/55/62/646775562.db2.gz YVNJOQRZEZHPRH-UHFFFAOYSA-N 0 1 286.331 2.206 20 10 CECDMN CC[C@H]1CO[C@@H](C)CN1Cc1cc(OC)c(OC)cc1O ZINC000775642834 646974962 /nfs/dbraw/zinc/97/49/62/646974962.db2.gz PCYLUEANKFRXMR-AAEUAGOBSA-N 0 1 295.379 2.409 20 10 CECDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@@H](O)C(F)(F)F ZINC000865712468 647435225 /nfs/dbraw/zinc/43/52/25/647435225.db2.gz YHSMYVMMLVPYEX-PRHODGIISA-N 0 1 294.292 2.293 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@@H+](CCO)C1CCOCC1 ZINC000783716784 647750674 /nfs/dbraw/zinc/75/06/74/647750674.db2.gz AWLMCYHFVWKLKV-UHFFFAOYSA-N 0 1 285.771 2.019 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@H+](CCO)C1CCOCC1 ZINC000783716784 647750676 /nfs/dbraw/zinc/75/06/76/647750676.db2.gz AWLMCYHFVWKLKV-UHFFFAOYSA-N 0 1 285.771 2.019 20 10 CECDMN COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H]1C ZINC000787420070 648107353 /nfs/dbraw/zinc/10/73/53/648107353.db2.gz CULAUCYRRYZRPP-MWLCHTKSSA-N 0 1 283.755 2.429 20 10 CECDMN O=C1CN(Cc2cc(Cl)cc(F)c2O)CN1CC1CC1 ZINC000789774487 648340961 /nfs/dbraw/zinc/34/09/61/648340961.db2.gz FODPQCWYVYJGTP-UHFFFAOYSA-N 0 1 298.745 2.196 20 10 CECDMN Cc1cccc(NC(=O)c2c(F)ccc(O)c2O)n1 ZINC000790070359 648377627 /nfs/dbraw/zinc/37/76/27/648377627.db2.gz OHERDYURLFUIIF-UHFFFAOYSA-N 0 1 262.240 2.193 20 10 CECDMN COC(=O)[C@H](NCc1c(O)ccc(Cl)c1F)C1CC1 ZINC000792180672 648620480 /nfs/dbraw/zinc/62/04/80/648620480.db2.gz RNZDDJXNGBRMMB-GFCCVEGCSA-N 0 1 287.718 2.226 20 10 CECDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](O)C2)c1 ZINC000134753780 652871352 /nfs/dbraw/zinc/87/13/52/652871352.db2.gz FYHDSLMLZXNCOD-JTQLQIEISA-N 0 1 286.169 2.030 20 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HBWWBBJBUDHFDN-OTYXRUKQSA-N 0 1 271.307 2.263 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@]12CCOC2 ZINC001140584630 803185612 /nfs/dbraw/zinc/18/56/12/803185612.db2.gz ZTQZQQMHUHEWMH-CQSZACIVSA-N 0 1 269.291 2.425 20 10 CECDMN C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccc2ccccc2c1[O-] ZINC000398338361 803315761 /nfs/dbraw/zinc/31/57/61/803315761.db2.gz JLCRFZYAPUBQCZ-NWDGAFQWSA-N 0 1 284.359 2.332 20 10 CECDMN CCOC(=O)N1CCN(Cc2cc(C)cc(C)c2O)CC1 ZINC000125391247 804033344 /nfs/dbraw/zinc/03/33/44/804033344.db2.gz HDJNFRBDYOXUNQ-UHFFFAOYSA-N 0 1 292.379 2.283 20 10 CECDMN CN(Cc1cn2ccncc2n1)Cc1ccccc1O ZINC001139699251 804488700 /nfs/dbraw/zinc/48/87/00/804488700.db2.gz QRUQGFQZZZMWLB-UHFFFAOYSA-N 0 1 268.320 2.067 20 10 CECDMN CC[N@@H+](CCN1CCOCC1)Cc1cccc(Cl)c1[O-] ZINC001231912788 807197574 /nfs/dbraw/zinc/19/75/74/807197574.db2.gz ZRDJXNKMANJQGU-UHFFFAOYSA-N 0 1 298.814 2.200 20 10 CECDMN [O-]c1cccc(F)c1CN1CC[NH+](CC2CC2)CC1 ZINC001137837686 809781537 /nfs/dbraw/zinc/78/15/37/809781537.db2.gz 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C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1c([O-])cc(F)cc1F ZINC001140583409 816293769 /nfs/dbraw/zinc/29/37/69/816293769.db2.gz FQEPTFNIWRDENK-HZMBPMFUSA-N 0 1 282.334 2.196 20 10 CECDMN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(C)ccc1O ZINC001140624289 816307986 /nfs/dbraw/zinc/30/79/86/816307986.db2.gz OVXCMMPGXKKFPL-OSAQELSMSA-N 0 1 275.348 2.227 20 10 CECDMN Cc1c(O)ccc(C[N@H+]2CCc3ncsc3C2)c1O ZINC001140748482 816343686 /nfs/dbraw/zinc/34/36/86/816343686.db2.gz HMWQIPRAOUHGKP-UHFFFAOYSA-N 0 1 276.361 2.421 20 10 CECDMN Cc1c(O)ccc(CN2CCc3ncsc3C2)c1O ZINC001140748482 816343695 /nfs/dbraw/zinc/34/36/95/816343695.db2.gz HMWQIPRAOUHGKP-UHFFFAOYSA-N 0 1 276.361 2.421 20 10 CECDMN Cc1ccnc(N2CCN(Cc3cc(O)ccc3O)CC2)c1 ZINC001141160171 816491541 /nfs/dbraw/zinc/49/15/41/816491541.db2.gz RVTOOQASFFHNSJ-UHFFFAOYSA-N 0 1 299.374 2.123 20 10 CECDMN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142526920 816680189 /nfs/dbraw/zinc/68/01/89/816680189.db2.gz BTCXKCADPCKEKM-JTQLQIEISA-N 0 1 285.290 2.198 20 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/nfs/dbraw/zinc/10/94/82/267109482.db2.gz VAWWBFVNZUGPRM-ZDUSSCGKSA-N 0 1 291.725 2.481 20 10 CECDMN C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185028654 327836005 /nfs/dbraw/zinc/83/60/05/327836005.db2.gz JAUQQINCCNMSAX-NEPJUHHUSA-N 0 1 298.814 2.417 20 10 CECDMN Cc1cc(O)c(CN2CC[S@](=O)CC[C@@H]2C)cc1C ZINC000377305709 329010672 /nfs/dbraw/zinc/01/06/72/329010672.db2.gz MPOZBEMUNUWVFF-ORAYPTAESA-N 0 1 281.421 2.352 20 10 CECDMN Cc1cccc(CN2CCOC[C@H]2[C@H]2CCCO2)c1O ZINC000377706858 329026421 /nfs/dbraw/zinc/02/64/21/329026421.db2.gz ZHRJAIVLNYIQDY-LSDHHAIUSA-N 0 1 277.364 2.080 20 10 CECDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCCOCC2)c1[O-] ZINC000360074670 329071248 /nfs/dbraw/zinc/07/12/48/329071248.db2.gz JCGYWSMBXXXELC-UHFFFAOYSA-N 0 1 286.715 2.176 20 10 CECDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCCOCC2)c1[O-] ZINC000360074670 329071249 /nfs/dbraw/zinc/07/12/49/329071249.db2.gz JCGYWSMBXXXELC-UHFFFAOYSA-N 0 1 286.715 2.176 20 10 CECDMN Nc1ccc(CC(=O)Nc2cccc(-c3nnc[nH]3)c2)cc1 ZINC000237927628 501037281 /nfs/dbraw/zinc/03/72/81/501037281.db2.gz IQKFWNHCZWCLJT-UHFFFAOYSA-N 0 1 293.330 2.235 20 10 CECDMN COC(=O)c1ccc(CNCc2cc(C)ccc2O)o1 ZINC000265189396 522033238 /nfs/dbraw/zinc/03/32/38/522033238.db2.gz OHRNFEBANPNHBQ-UHFFFAOYSA-N 0 1 275.304 2.370 20 10 CECDMN C[C@H]1OCC[C@]12CN(Cc1cc(F)ccc1O)C[C@@H](C)O2 ZINC000280358008 525059433 /nfs/dbraw/zinc/05/94/33/525059433.db2.gz CJWQGBYLMDNNLE-HSMVNMDESA-N 0 1 295.354 2.300 20 10 CECDMN Cc1cc(O)c(CN2CC[C@@H](C)[S@@](=O)CC2)cc1C ZINC000277808545 525317938 /nfs/dbraw/zinc/31/79/38/525317938.db2.gz YBHUHZBFPKGCLP-YJYMSZOUSA-N 0 1 281.421 2.352 20 10 CECDMN Cc1cc(C(=O)N2CCNCC2)c(C)n1-c1ccccc1 ZINC000237698039 526255194 /nfs/dbraw/zinc/25/51/94/526255194.db2.gz ATZIQUAZJUJRRY-UHFFFAOYSA-N 0 1 283.375 2.140 20 10 CECDMN Oc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCOC1 ZINC000732203617 574614614 /nfs/dbraw/zinc/61/46/14/574614614.db2.gz YYGINVANUUEGCA-GOEBONIOSA-N 0 1 291.391 2.410 20 10 CECDMN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCCN2C)c1 ZINC000732287668 574617986 /nfs/dbraw/zinc/61/79/86/574617986.db2.gz ZKHPNKYEMJUOML-RISCZKNCSA-N 0 1 292.379 2.062 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CCOC[C@@H]1CCOC1 ZINC000733328396 574664482 /nfs/dbraw/zinc/66/44/82/574664482.db2.gz SZNNJLAGFFAVPL-LLVKDONJSA-N 0 1 285.771 2.188 20 10 CECDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)N(C)C)cc1 ZINC000741678370 574993860 /nfs/dbraw/zinc/99/38/60/574993860.db2.gz PIWLYAVFZMPANK-CQSZACIVSA-N 0 1 291.439 2.441 20 10 CECDMN C[C@@H]1CCN(CC[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000744450294 575121708 /nfs/dbraw/zinc/12/17/08/575121708.db2.gz QOECRTRKBLBUHQ-LLVKDONJSA-N 0 1 268.788 2.477 20 10 CECDMN CN(C)c1ccnc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000753012858 575317856 /nfs/dbraw/zinc/31/78/56/575317856.db2.gz BLEVMGULWQUGQN-XQRVVYSFSA-N 0 1 299.330 2.211 20 10 CECDMN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)CC1CC1 ZINC000086734140 602041281 /nfs/dbraw/zinc/04/12/81/602041281.db2.gz QMBOWDRJRDKCIL-UHFFFAOYSA-N 0 1 269.728 2.342 20 10 CECDMN O=C([O-])C[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000821515689 598212113 /nfs/dbraw/zinc/21/21/13/598212113.db2.gz MKICEGFMYMCJQS-SNVBAGLBSA-N 0 1 267.300 2.218 20 10 CECDMN O=C([O-])C[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000821515689 598212114 /nfs/dbraw/zinc/21/21/14/598212114.db2.gz MKICEGFMYMCJQS-SNVBAGLBSA-N 0 1 267.300 2.218 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+](C)C(C)(C)C(=O)[O-])c1O ZINC000825946887 601151235 /nfs/dbraw/zinc/15/12/35/601151235.db2.gz VZIOKYQWRDVOBA-UHFFFAOYSA-N 0 1 283.299 2.029 20 10 CECDMN O=C([O-])NC[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000834224203 605575698 /nfs/dbraw/zinc/57/56/98/605575698.db2.gz HDJIMIZFIQDCCB-SECBINFHSA-N 0 1 284.743 2.135 20 10 CECDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(F)ccc1O ZINC000833834178 605592217 /nfs/dbraw/zinc/59/22/17/605592217.db2.gz MVVSZLAYPMXOIY-UWVGGRQHSA-N 0 1 282.315 2.009 20 10 CECDMN CN(C)c1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000003755549 622570111 /nfs/dbraw/zinc/57/01/11/622570111.db2.gz MADUPLUHJKWHTJ-AWEZNQCLSA-N 0 1 262.353 2.192 20 10 CECDMN Cc1cc(O)c(CN(C)CC(C)(C)S(C)(=O)=O)cc1C ZINC000161020460 623714847 /nfs/dbraw/zinc/71/48/47/623714847.db2.gz QTXHFBVHWUDGTK-UHFFFAOYSA-N 0 1 299.436 2.264 20 10 CECDMN COc1ccc(CN2CCOC(C)(C)[C@H]2C)c(O)c1OC ZINC000892068844 624292219 /nfs/dbraw/zinc/29/22/19/624292219.db2.gz UTPVJMMOSMFHEY-LLVKDONJSA-N 0 1 295.379 2.409 20 10 CECDMN Cc1c(C[NH2+]Cc2cc(Cl)ccc2[O-])cnn1C ZINC000156551653 624934932 /nfs/dbraw/zinc/93/49/32/624934932.db2.gz HMVCPHZQMRJRQS-UHFFFAOYSA-N 0 1 265.744 2.377 20 10 CECDMN CCn1cc(CNCCCSc2nccs2)nn1 ZINC000893045266 627965305 /nfs/dbraw/zinc/96/53/05/627965305.db2.gz OMGNHEJIGVBLCD-UHFFFAOYSA-N 0 1 283.426 2.027 20 10 CECDMN C[C@@H]([NH2+]CCCON)c1ccc2ccccc2c1[O-] ZINC000902426575 634648300 /nfs/dbraw/zinc/64/83/00/634648300.db2.gz VIQOJHFUGYTWQE-LLVKDONJSA-N 0 1 260.337 2.476 20 10 CECDMN COCC[C@@H]1COCCN1Cc1ccc(N(C)C)cc1C ZINC000840948522 628837293 /nfs/dbraw/zinc/83/72/93/628837293.db2.gz UZFAGIZYWPKYPV-QGZVFWFLSA-N 0 1 292.423 2.298 20 10 CECDMN Cn1cnnc1[C@H]1CCCN1Cc1cc(F)cc(F)c1O ZINC000894077177 629117328 /nfs/dbraw/zinc/11/73/28/629117328.db2.gz YPAJOJLQFDUDTL-GFCCVEGCSA-N 0 1 294.305 2.136 20 10 CECDMN CC[C@]1(O)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877440845 629159217 /nfs/dbraw/zinc/15/92/17/629159217.db2.gz NCUZFAYETQPPHT-ZDUSSCGKSA-N 0 1 257.280 2.017 20 10 CECDMN COCC[C@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000894656660 629577571 /nfs/dbraw/zinc/57/75/71/629577571.db2.gz UBIHVXHNSRTKIP-CQSZACIVSA-N 0 1 275.348 2.032 20 10 CECDMN Oc1c(F)cc(F)cc1CN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000894747499 629616362 /nfs/dbraw/zinc/61/63/62/629616362.db2.gz LUSQWRDSGHALIU-ZIAGYGMSSA-N 0 1 299.317 2.050 20 10 CECDMN CC[C@H]1C[N@@H+](C)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894865508 629704006 /nfs/dbraw/zinc/70/40/06/629704006.db2.gz XOUFALZSVYYDOI-LBPRGKRZSA-N 0 1 270.323 2.196 20 10 CECDMN Cc1nnc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)[nH]1 ZINC000895006649 629800509 /nfs/dbraw/zinc/80/05/09/629800509.db2.gz AGZBUDYKBJDZTH-LLVKDONJSA-N 0 1 292.770 2.462 20 10 CECDMN Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000895006649 629800511 /nfs/dbraw/zinc/80/05/11/629800511.db2.gz AGZBUDYKBJDZTH-LLVKDONJSA-N 0 1 292.770 2.462 20 10 CECDMN Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000895006649 629800513 /nfs/dbraw/zinc/80/05/13/629800513.db2.gz AGZBUDYKBJDZTH-LLVKDONJSA-N 0 1 292.770 2.462 20 10 CECDMN Cc1nc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3[O-])C2)n[nH]1 ZINC000895006649 629800514 /nfs/dbraw/zinc/80/05/14/629800514.db2.gz AGZBUDYKBJDZTH-LLVKDONJSA-N 0 1 292.770 2.462 20 10 CECDMN Cc1nc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n[nH]1 ZINC000895006649 629800517 /nfs/dbraw/zinc/80/05/17/629800517.db2.gz AGZBUDYKBJDZTH-LLVKDONJSA-N 0 1 292.770 2.462 20 10 CECDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895654506 630290379 /nfs/dbraw/zinc/29/03/79/630290379.db2.gz SCVFTVCRCHUXOR-GWCFXTLKSA-N 0 1 298.180 2.030 20 10 CECDMN [O-]c1c(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)ccc(F)c1F ZINC000895776296 630340932 /nfs/dbraw/zinc/34/09/32/630340932.db2.gz BLURXWRTGIXRAT-AOOOYVTPSA-N 0 1 271.332 2.465 20 10 CECDMN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C1=CC(=O)CS1 ZINC000807694567 631862839 /nfs/dbraw/zinc/86/28/39/631862839.db2.gz MUTWFBFRGYSXIJ-WDEREUQCSA-N 0 1 280.393 2.153 20 10 CECDMN COc1cc(Cl)cc(CNCc2cn(C)cn2)c1O ZINC000898043444 632035334 /nfs/dbraw/zinc/03/53/34/632035334.db2.gz PCUIADVMJMFDIG-UHFFFAOYSA-N 0 1 281.743 2.078 20 10 CECDMN c1nc2n(c1CNCc1ccc3c(c1)CCCO3)CCOC2 ZINC000898263492 632134036 /nfs/dbraw/zinc/13/40/36/632134036.db2.gz IDIHDLDTBPJGMS-UHFFFAOYSA-N 0 1 299.374 2.028 20 10 CECDMN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000809778569 632144897 /nfs/dbraw/zinc/14/48/97/632144897.db2.gz RXURWECFEAZFPM-CYBMUJFWSA-N 0 1 294.370 2.270 20 10 CECDMN CC[C@H]1C(=O)NCCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000898557484 632537210 /nfs/dbraw/zinc/53/72/10/632537210.db2.gz FHELWPDSMZQLPT-LBPRGKRZSA-N 0 1 282.771 2.146 20 10 CECDMN CCc1nocc1CNCc1cc(OC)ccc1O ZINC000815125935 632964910 /nfs/dbraw/zinc/96/49/10/632964910.db2.gz DCCRTPVNOMFRCN-UHFFFAOYSA-N 0 1 262.309 2.241 20 10 CECDMN C[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC[C@H]1O ZINC000816574988 633415906 /nfs/dbraw/zinc/41/59/06/633415906.db2.gz YQQODRUZYAVXDW-QPUJVOFHSA-N 0 1 273.735 2.387 20 10 CECDMN C[C@@H]([NH2+]Cc1ccc2ccccc2c1[O-])C(=O)NCCF ZINC000816600378 633420628 /nfs/dbraw/zinc/42/06/28/633420628.db2.gz VLFYDDISOJPOGX-LLVKDONJSA-N 0 1 290.338 2.109 20 10 CECDMN NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816613479 633422052 /nfs/dbraw/zinc/42/20/52/633422052.db2.gz VYHCBKIIWQNWCN-LBPRGKRZSA-N 0 1 284.359 2.243 20 10 CECDMN NC(=O)C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816613479 633422055 /nfs/dbraw/zinc/42/20/55/633422055.db2.gz VYHCBKIIWQNWCN-LBPRGKRZSA-N 0 1 284.359 2.243 20 10 CECDMN NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816613479 633422058 /nfs/dbraw/zinc/42/20/58/633422058.db2.gz VYHCBKIIWQNWCN-LBPRGKRZSA-N 0 1 284.359 2.243 20 10 CECDMN CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC000818631498 633966706 /nfs/dbraw/zinc/96/67/06/633966706.db2.gz HAGHLWFKABQAND-IAQYHMDHSA-N 0 1 293.363 2.476 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503342 634933271 /nfs/dbraw/zinc/93/32/71/634933271.db2.gz GKINBRQFBMKPDC-NSHDSACASA-N 0 1 292.770 2.474 20 10 CECDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503342 634933275 /nfs/dbraw/zinc/93/32/75/634933275.db2.gz GKINBRQFBMKPDC-NSHDSACASA-N 0 1 292.770 2.474 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](O)C2)cc1Cl ZINC000824491845 635435272 /nfs/dbraw/zinc/43/52/72/635435272.db2.gz XMJGZJGIWOROFA-NSHDSACASA-N 0 1 255.745 2.311 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](O)C2)cc1Cl ZINC000824491845 635435275 /nfs/dbraw/zinc/43/52/75/635435275.db2.gz XMJGZJGIWOROFA-NSHDSACASA-N 0 1 255.745 2.311 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000825297378 635607978 /nfs/dbraw/zinc/60/79/78/635607978.db2.gz DDMDXVOBUWJONJ-CMPLNLGQSA-N 0 1 296.798 2.488 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H]2CN(C)CCO2)cc1Cl ZINC000825357518 635624481 /nfs/dbraw/zinc/62/44/81/635624481.db2.gz GJJADXAFSATVMF-ABAIWWIYSA-N 0 1 298.814 2.163 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@H](C)C[S@@](C)=O)cc1Cl ZINC000825498104 635646827 /nfs/dbraw/zinc/64/68/27/635646827.db2.gz VJEXKPKCKMDXFQ-VVVCHXIZSA-N 0 1 275.801 2.211 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@@H](O)C2CC2)cc1Cl ZINC000825916601 635731908 /nfs/dbraw/zinc/73/19/08/635731908.db2.gz QNNRWSBPMMLOQT-CYBMUJFWSA-N 0 1 255.745 2.215 20 10 CECDMN CC[C@H](CO)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000826030048 635742009 /nfs/dbraw/zinc/74/20/09/635742009.db2.gz NNWUVWMPHNOXBR-LLVKDONJSA-N 0 1 288.185 2.357 20 10 CECDMN CC[C@H](CO)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000826030048 635742014 /nfs/dbraw/zinc/74/20/14/635742014.db2.gz NNWUVWMPHNOXBR-LLVKDONJSA-N 0 1 288.185 2.357 20 10 CECDMN C[C@H](CCO)[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000826142667 635765537 /nfs/dbraw/zinc/76/55/37/635765537.db2.gz HRBCAKUSTVUBQI-SECBINFHSA-N 0 1 288.185 2.357 20 10 CECDMN C[C@H](CCO)[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000826142667 635765539 /nfs/dbraw/zinc/76/55/39/635765539.db2.gz HRBCAKUSTVUBQI-SECBINFHSA-N 0 1 288.185 2.357 20 10 CECDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCOC1 ZINC000125866737 650239733 /nfs/dbraw/zinc/23/97/33/650239733.db2.gz YOTBVSXOLDJLGW-JTQLQIEISA-N 0 1 272.142 2.033 20 10 CECDMN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])[C@@]1(O)CCCOC1 ZINC000827595183 636361549 /nfs/dbraw/zinc/36/15/49/636361549.db2.gz MDZWPFIMJXLQMD-MRXNPFEDSA-N 0 1 297.370 2.189 20 10 CECDMN c1cc(N2CCCCC2)ccc1CN1CCc2n[nH]nc2C1 ZINC000827885167 636452534 /nfs/dbraw/zinc/45/25/34/636452534.db2.gz SBGHLMYXSSOVSA-UHFFFAOYSA-N 0 1 297.406 2.353 20 10 CECDMN Cc1nc(CN(C)Cc2cccc(Cl)c2O)no1 ZINC000827892020 636453748 /nfs/dbraw/zinc/45/37/48/636453748.db2.gz PIJBKQVQAWVNHH-UHFFFAOYSA-N 0 1 267.716 2.369 20 10 CECDMN CCN1CCCC[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827977903 636476513 /nfs/dbraw/zinc/47/65/13/636476513.db2.gz BMZVQVKHJXGZCJ-JSGCOSHPSA-N 0 1 276.380 2.444 20 10 CECDMN CCN(CC(N)=O)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829158587 636791154 /nfs/dbraw/zinc/79/11/54/636791154.db2.gz BOEBMBVJFQXQMO-UHFFFAOYSA-N 0 1 289.423 2.293 20 10 CECDMN Cc1nn(C)cc1CN(C)Cc1ccc(N(C)C)cc1 ZINC000156469509 639359122 /nfs/dbraw/zinc/35/91/22/639359122.db2.gz HBCGAAUKUFTEJB-UHFFFAOYSA-N 0 1 272.396 2.427 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCC(=O)NC(C)C)c(Cl)c1 ZINC000840876616 639569215 /nfs/dbraw/zinc/56/92/15/639569215.db2.gz XQWPIRXDRIMJMM-UHFFFAOYSA-N 0 1 284.787 2.358 20 10 CECDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)CCO)c(Cl)c1 ZINC000840901386 639578927 /nfs/dbraw/zinc/57/89/27/639578927.db2.gz JAGUMRRLMVBWBS-SECBINFHSA-N 0 1 257.761 2.462 20 10 CECDMN Cc1cc(N(C)C)ccc1CN(C)CC(=O)NC(C)C ZINC000840910243 639582767 /nfs/dbraw/zinc/58/27/67/639582767.db2.gz OWRVEWPATROCGI-UHFFFAOYSA-N 0 1 277.412 2.017 20 10 CECDMN C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc2ccccc2c1[O-] ZINC000168829777 639586304 /nfs/dbraw/zinc/58/63/04/639586304.db2.gz AJWOOUTWBJPOIL-WDEREUQCSA-N 0 1 272.348 2.460 20 10 CECDMN COC[C@@H](C[NH2+]Cc1c([O-])cc(C)cc1Cl)OC ZINC000840937656 639592560 /nfs/dbraw/zinc/59/25/60/639592560.db2.gz UDEYHEBBOAUDSJ-SNVBAGLBSA-N 0 1 273.760 2.105 20 10 CECDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000840953007 639598958 /nfs/dbraw/zinc/59/89/58/639598958.db2.gz KHNWRQIZRJBALF-VXGBXAGGSA-N 0 1 255.745 2.357 20 10 CECDMN CNC(=O)[C@]1(C)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000228098969 639616957 /nfs/dbraw/zinc/61/69/57/639616957.db2.gz CMYDAXHWVPVXKV-CQSZACIVSA-N 0 1 282.771 2.004 20 10 CECDMN CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745308 639855500 /nfs/dbraw/zinc/85/55/00/639855500.db2.gz XHHWYAKLABWUSS-BDAKNGLRSA-N 0 1 270.760 2.221 20 10 CECDMN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@@H]1CN(C)CCO1 ZINC000841747807 639857340 /nfs/dbraw/zinc/85/73/40/639857340.db2.gz DPLLQRQHFYGNDX-RWSFTLGLSA-N 0 1 298.814 2.415 20 10 CECDMN C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@H]1[NH3+] ZINC000843052025 640255113 /nfs/dbraw/zinc/25/51/13/640255113.db2.gz OROTUMJYBITVGJ-BXKDBHETSA-N 0 1 254.761 2.215 20 10 CECDMN COc1ccc(O)c(CN2CCO[C@@]3(CCSC3)C2)c1 ZINC000843418029 640421788 /nfs/dbraw/zinc/42/17/88/640421788.db2.gz NTFRTGXJUYSRAF-HNNXBMFYSA-N 0 1 295.404 2.109 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+](CC(=O)[O-])CC2CC2)c1O ZINC000844837107 640849647 /nfs/dbraw/zinc/84/96/47/640849647.db2.gz FYYHCTYBYRYHEL-UHFFFAOYSA-N 0 1 295.310 2.031 20 10 CECDMN CCN1C[C@H](C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1=O ZINC000846207499 641221458 /nfs/dbraw/zinc/22/14/58/641221458.db2.gz CFUZFEQEIJLQCJ-QWRGUYRKSA-N 0 1 280.343 2.050 20 10 CECDMN C[C@H](NC(=O)[C@@H]1NCCc2ccccc21)c1ccccc1O ZINC000877256127 650644443 /nfs/dbraw/zinc/64/44/43/650644443.db2.gz NVYAITMEBNGQMX-YVEFUNNKSA-N 0 1 296.370 2.456 20 10 CECDMN CCC[C@H]1C(=O)NCCN1Cc1cccc(CC)c1O ZINC000848891278 642174852 /nfs/dbraw/zinc/17/48/52/642174852.db2.gz YHLLBPSABNMWIQ-AWEZNQCLSA-N 0 1 276.380 2.055 20 10 CECDMN CCOC(=O)[C@H](F)C1CN(Cc2cccc(CC)c2O)C1 ZINC000848913774 642187525 /nfs/dbraw/zinc/18/75/25/642187525.db2.gz DRECXEHGJMUVDP-CQSZACIVSA-N 0 1 295.354 2.288 20 10 CECDMN CO[C@](C)(CO)C[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000848922305 642194520 /nfs/dbraw/zinc/19/45/20/642194520.db2.gz QMMZNDMOCBAZEJ-INIZCTEOSA-N 0 1 275.348 2.032 20 10 CECDMN CCN(C)c1ccc(C[N@@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC000851709340 643119097 /nfs/dbraw/zinc/11/90/97/643119097.db2.gz LAKRTSIFBYQPKV-OTVXOJSOSA-N 0 1 276.380 2.438 20 10 CECDMN CCOCc1cc(CNC2(C)COC2)ccc1OC ZINC000877691251 650852878 /nfs/dbraw/zinc/85/28/78/650852878.db2.gz LXEHVMMTUYMBRX-UHFFFAOYSA-N 0 1 265.353 2.110 20 10 CECDMN COc1nccc(CN[C@@H](C)c2ccccc2O)n1 ZINC000877758259 650899992 /nfs/dbraw/zinc/89/99/92/650899992.db2.gz PMTOYCZZLBRARN-JTQLQIEISA-N 0 1 259.309 2.042 20 10 CECDMN O=C1NCCC12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC000877783143 650908820 /nfs/dbraw/zinc/90/88/20/650908820.db2.gz GBFZXQONVAKFBO-UHFFFAOYSA-N 0 1 294.782 2.148 20 10 CECDMN CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877836589 650929057 /nfs/dbraw/zinc/92/90/57/650929057.db2.gz BJLKPUTWKBZRPB-SNVBAGLBSA-N 0 1 271.307 2.263 20 10 CECDMN C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756555116 644664467 /nfs/dbraw/zinc/66/44/67/644664467.db2.gz RGWZWFNTZXZMAK-NWDGAFQWSA-N 0 1 293.367 2.293 20 10 CECDMN C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1cc(Cl)ccc1[O-] ZINC000756760221 644690585 /nfs/dbraw/zinc/69/05/85/644690585.db2.gz POJOTZQAJKFVPR-ZIBATOQPSA-N 0 1 298.814 2.415 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1[O-] ZINC000839668897 644763847 /nfs/dbraw/zinc/76/38/47/644763847.db2.gz JZVFRRIFDSJDPF-ZYHUDNBSSA-N 0 1 295.354 2.327 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1[O-] ZINC000839668897 644763849 /nfs/dbraw/zinc/76/38/49/644763849.db2.gz JZVFRRIFDSJDPF-ZYHUDNBSSA-N 0 1 295.354 2.327 20 10 CECDMN CC(=O)c1cc(F)cc(CN2CCC[C@H](CO)[C@H]2C)c1O ZINC000839668897 644763854 /nfs/dbraw/zinc/76/38/54/644763854.db2.gz JZVFRRIFDSJDPF-ZYHUDNBSSA-N 0 1 295.354 2.327 20 10 CECDMN CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000857083977 644812119 /nfs/dbraw/zinc/81/21/19/644812119.db2.gz DYBNFDCOIJNGNG-BXKDBHETSA-N 0 1 282.771 2.317 20 10 CECDMN C[C@@H](NCc1cn(C)nn1)c1cc2c(cc1O)CCCC2 ZINC000757658102 644832428 /nfs/dbraw/zinc/83/24/28/644832428.db2.gz UWWBVXHYGAJUFN-LLVKDONJSA-N 0 1 286.379 2.250 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCSC[C@@H]1CCO ZINC000770308078 646378479 /nfs/dbraw/zinc/37/84/79/646378479.db2.gz YGVKURCDSIGFRE-LBPRGKRZSA-N 0 1 287.812 2.345 20 10 CECDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000770308078 646378482 /nfs/dbraw/zinc/37/84/82/646378482.db2.gz YGVKURCDSIGFRE-LBPRGKRZSA-N 0 1 287.812 2.345 20 10 CECDMN CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2c([O-])cccc2Cl)C1 ZINC000770384866 646384857 /nfs/dbraw/zinc/38/48/57/646384857.db2.gz ZNOVOADSEZANCH-LBPRGKRZSA-N 0 1 296.798 2.346 20 10 CECDMN CC(=O)N1CC[C@@H](C[N@H+](C)Cc2c([O-])cccc2Cl)C1 ZINC000770384866 646384860 /nfs/dbraw/zinc/38/48/60/646384860.db2.gz ZNOVOADSEZANCH-LBPRGKRZSA-N 0 1 296.798 2.346 20 10 CECDMN CC[C@@]1(O)CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862334090 646403047 /nfs/dbraw/zinc/40/30/47/646403047.db2.gz YLSYKXCRGBZUNH-OAHLLOKOSA-N 0 1 284.350 2.378 20 10 CECDMN CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(F)cc1[O-] ZINC000863542021 646752116 /nfs/dbraw/zinc/75/21/16/646752116.db2.gz DJUWHNZCQOTFOF-TVYUQYBPSA-N 0 1 252.333 2.322 20 10 CECDMN CCN(C)c1ccc(CN2CCO[C@]3(CCOC3)C2)cc1 ZINC000773857877 646781479 /nfs/dbraw/zinc/78/14/79/646781479.db2.gz MHYXSOKZQWAUIU-QGZVFWFLSA-N 0 1 290.407 2.134 20 10 CECDMN C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1C(=O)[O-] ZINC000863740243 646802809 /nfs/dbraw/zinc/80/28/09/646802809.db2.gz UDGZUTKDKILDII-WCQYABFASA-N 0 1 294.370 2.434 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000863740245 646803192 /nfs/dbraw/zinc/80/31/92/646803192.db2.gz UDGZUTKDKILDII-YPMHNXCESA-N 0 1 294.370 2.434 20 10 CECDMN CCN(CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000775408617 646951174 /nfs/dbraw/zinc/95/11/74/646951174.db2.gz AGCFGMLXKPLZEL-ZDUSSCGKSA-N 0 1 289.423 2.414 20 10 CECDMN CC[C@H]([NH2+]C[C@@](C)(O)COC)c1cc(Cl)ccc1[O-] ZINC000775504283 646960498 /nfs/dbraw/zinc/96/04/98/646960498.db2.gz XHFFVYLNBHNNHP-GXTWGEPZSA-N 0 1 287.787 2.484 20 10 CECDMN C[C@@H](O)CC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775702342 646981587 /nfs/dbraw/zinc/98/15/87/646981587.db2.gz QLLHNZIXADIQMR-MRVPVSSYSA-N 0 1 261.724 2.387 20 10 CECDMN C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000776521223 647067971 /nfs/dbraw/zinc/06/79/71/647067971.db2.gz MTEGTTYOVKBNKL-CVJBHZAOSA-N 0 1 293.791 2.384 20 10 CECDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)no1 ZINC000777506784 647142630 /nfs/dbraw/zinc/14/26/30/647142630.db2.gz QCKHZMUNGZMPNU-UHFFFAOYSA-N 0 1 286.379 2.347 20 10 CECDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@H](O)C(F)(F)F ZINC000865712470 647435031 /nfs/dbraw/zinc/43/50/31/647435031.db2.gz YHSMYVMMLVPYEX-UFBFGSQYSA-N 0 1 294.292 2.293 20 10 CECDMN COc1cccc(CNCc2nn(C)cc2C(F)F)c1O ZINC000865809615 647473079 /nfs/dbraw/zinc/47/30/79/647473079.db2.gz ZRUDCWCONNICSJ-UHFFFAOYSA-N 0 1 297.305 2.362 20 10 CECDMN CCOc1ccc(CN2C[C@@H](C)O[C@@H](COC)C2)c(O)c1 ZINC000784666886 647873860 /nfs/dbraw/zinc/87/38/60/647873860.db2.gz CASHMWALOQFWDR-IUODEOHRSA-N 0 1 295.379 2.027 20 10 CECDMN COC(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H]1C ZINC000787420069 648107383 /nfs/dbraw/zinc/10/73/83/648107383.db2.gz CULAUCYRRYZRPP-KOLCDFICSA-N 0 1 283.755 2.429 20 10 CECDMN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)[C@@H]1C ZINC000787420628 648107964 /nfs/dbraw/zinc/10/79/64/648107964.db2.gz JRIPXIHIUUBXCV-NXEZZACHSA-N 0 1 283.755 2.429 20 10 CECDMN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)[C@@H]1C ZINC000787420628 648107967 /nfs/dbraw/zinc/10/79/67/648107967.db2.gz JRIPXIHIUUBXCV-NXEZZACHSA-N 0 1 283.755 2.429 20 10 CECDMN COC(=O)[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)[C@@H]1C ZINC000787420631 648108006 /nfs/dbraw/zinc/10/80/06/648108006.db2.gz JRIPXIHIUUBXCV-ZJUUUORDSA-N 0 1 283.755 2.429 20 10 CECDMN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)[C@@H]1C ZINC000787420631 648108009 /nfs/dbraw/zinc/10/80/09/648108009.db2.gz JRIPXIHIUUBXCV-ZJUUUORDSA-N 0 1 283.755 2.429 20 10 CECDMN Oc1c(F)cc(Cl)cc1CN1C[C@H](O)CC(F)(F)C1 ZINC000787438696 648109006 /nfs/dbraw/zinc/10/90/06/648109006.db2.gz UUIJZVPESYFPEN-SECBINFHSA-N 0 1 295.688 2.387 20 10 CECDMN C[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000788269424 648167847 /nfs/dbraw/zinc/16/78/47/648167847.db2.gz NOUQDWOFXMRTLC-WCBMZHEXSA-N 0 1 286.169 2.110 20 10 CECDMN COC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CCCO1 ZINC000788535243 648200019 /nfs/dbraw/zinc/20/00/19/648200019.db2.gz LDYMXEWHRVILTE-JSGCOSHPSA-N 0 1 285.771 2.329 20 10 CECDMN Cc1c(CN(C)Cc2cc(F)ccc2O)cnn1C ZINC000790937841 648463027 /nfs/dbraw/zinc/46/30/27/648463027.db2.gz HFONEFVATWIBBU-UHFFFAOYSA-N 0 1 263.316 2.205 20 10 CECDMN COc1cccc(O)c1CN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000793215941 648724952 /nfs/dbraw/zinc/72/49/52/648724952.db2.gz YPQWQWZQVATBHI-ZBEGNZNMSA-N 0 1 277.364 2.400 20 10 CECDMN COc1cccc(CNCc2cccnc2F)c1O ZINC000793282390 648736427 /nfs/dbraw/zinc/73/64/27/648736427.db2.gz VMANCDVGRRXBPZ-UHFFFAOYSA-N 0 1 262.284 2.225 20 10 CECDMN CC(=O)NC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000123263016 648877547 /nfs/dbraw/zinc/87/75/47/648877547.db2.gz PCXBDEJCVVRTKW-UHFFFAOYSA-N 0 1 282.771 2.146 20 10 CECDMN COc1cccc(O)c1CN1CCO[C@H](C(F)F)CC1 ZINC000872256200 649330926 /nfs/dbraw/zinc/33/09/26/649330926.db2.gz QLWXRPOYHBKMOU-ZDUSSCGKSA-N 0 1 287.306 2.257 20 10 CECDMN CN1CC[N@@H+](Cc2cccc(F)c2[O-])Cc2cccnc21 ZINC000872266900 649334857 /nfs/dbraw/zinc/33/48/57/649334857.db2.gz GIBADZCDTFTWMR-UHFFFAOYSA-N 0 1 287.338 2.378 20 10 CECDMN CCCOc1ccc(CN[C@@H](C)C(=O)N(C)OC)cc1C ZINC000873145202 649569230 /nfs/dbraw/zinc/56/92/30/649569230.db2.gz IYJUVCLLPZJBJI-ZDUSSCGKSA-N 0 1 294.395 2.282 20 10 CECDMN O=C1OCC[C@H]1CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000873160448 649575113 /nfs/dbraw/zinc/57/51/13/649575113.db2.gz CDUGNDRQQKLKQP-SNVBAGLBSA-N 0 1 283.755 2.479 20 10 CECDMN NC(=O)C[N@@H+](Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000124531052 649682944 /nfs/dbraw/zinc/68/29/44/649682944.db2.gz WSKJMTSERRHVJG-UHFFFAOYSA-N 0 1 282.771 2.276 20 10 CECDMN CN1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000124812309 649746729 /nfs/dbraw/zinc/74/67/29/649746729.db2.gz HDAAJOFFMWLHLE-LLVKDONJSA-N 0 1 268.788 2.477 20 10 CECDMN CC(C)[N@@H+](CCO)Cc1cccc(Br)c1[O-] ZINC000128049948 651358161 /nfs/dbraw/zinc/35/81/61/651358161.db2.gz LKQMTHUAVNCQCX-UHFFFAOYSA-N 0 1 288.185 2.357 20 10 CECDMN C[C@H]1COCCN1Cc1cccc(Br)c1O ZINC000132607538 652538076 /nfs/dbraw/zinc/53/80/76/652538076.db2.gz CEEMIRWBNGSXDQ-VIFPVBQESA-N 0 1 286.169 2.375 20 10 CECDMN C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000884009452 652629604 /nfs/dbraw/zinc/62/96/04/652629604.db2.gz WTDVCQFRWYQMII-TVQRCGJNSA-N 0 1 270.336 2.297 20 10 CECDMN C[C@H]1Cc2cn[nH]c2[C@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000884441939 652852592 /nfs/dbraw/zinc/85/25/92/652852592.db2.gz SQCVZKGYYKGAQR-IINYFYTJSA-N 0 1 284.363 2.321 20 10 CECDMN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142525076 806618083 /nfs/dbraw/zinc/61/80/83/806618083.db2.gz WAKAIZQAGFHRFC-WPRPVWTQSA-N 0 1 257.280 2.016 20 10 CECDMN [O-]c1cc(Br)ccc1C[NH2+]C1CSC1 ZINC000706453445 802728479 /nfs/dbraw/zinc/72/84/79/802728479.db2.gz YXPDNFRWQFDHJQ-UHFFFAOYSA-N 0 1 274.183 2.360 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@]2(C)CO)c1[O-] ZINC000723023308 802786249 /nfs/dbraw/zinc/78/62/49/802786249.db2.gz RMPAYJBJSRMIBV-OAHLLOKOSA-N 0 1 281.327 2.081 20 10 CECDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@]2(C)CO)c1[O-] ZINC000723023308 802786253 /nfs/dbraw/zinc/78/62/53/802786253.db2.gz RMPAYJBJSRMIBV-OAHLLOKOSA-N 0 1 281.327 2.081 20 10 CECDMN CC(=O)N1CCC2(CN(Cc3ccc(Cl)cc3O)C2)C1 ZINC001140465096 802947480 /nfs/dbraw/zinc/94/74/80/802947480.db2.gz IALMDDCDIURDJI-UHFFFAOYSA-N 0 1 294.782 2.100 20 10 CECDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724813689 803301605 /nfs/dbraw/zinc/30/16/05/803301605.db2.gz GGBKXVVYNFPNQL-RNCFNFMXSA-N 0 1 269.291 2.281 20 10 CECDMN CN(C)c1ccc(C[N@@H+](CCC(=O)[O-])CC2CC2)cc1 ZINC000717215863 803683625 /nfs/dbraw/zinc/68/36/25/803683625.db2.gz ADUPYGUFTIHMFX-UHFFFAOYSA-N 0 1 276.380 2.439 20 10 CECDMN C[C@@H]1C[N@H+](Cc2c(F)ccc(F)c2[O-])CCCC1=O ZINC001139685884 804455685 /nfs/dbraw/zinc/45/56/85/804455685.db2.gz ZXARVSGTANNZCH-SECBINFHSA-N 0 1 269.291 2.471 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2c(F)ccc(F)c2[O-])CCCC1=O ZINC001139685884 804455690 /nfs/dbraw/zinc/45/56/90/804455690.db2.gz ZXARVSGTANNZCH-SECBINFHSA-N 0 1 269.291 2.471 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCCc2ncn(C)n2)cc1Cl ZINC001118577132 815026836 /nfs/dbraw/zinc/02/68/36/815026836.db2.gz JVAPCYZJLMPVOM-UHFFFAOYSA-N 0 1 294.786 2.205 20 10 CECDMN C[C@@]1(CO)CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001119508287 815123144 /nfs/dbraw/zinc/12/31/44/815123144.db2.gz ZIFBZRCDHCBMMR-CQSZACIVSA-N 0 1 271.307 2.265 20 10 CECDMN CC[C@H](C)[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C(=O)[O-] ZINC001119545518 815128233 /nfs/dbraw/zinc/12/82/33/815128233.db2.gz ZAKCOFXJLAZHJA-CPCISQLKSA-N 0 1 273.279 2.259 20 10 CECDMN Cc1c(CNCc2ccc3c(c2)CCCO3)cnn1C ZINC000921933858 808989332 /nfs/dbraw/zinc/98/93/32/808989332.db2.gz AOZGLFMMNMVAHW-UHFFFAOYSA-N 0 1 271.364 2.343 20 10 CECDMN COC[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701016171 809379465 /nfs/dbraw/zinc/37/94/65/809379465.db2.gz VCFMRJQJDZXFIE-MRVPVSSYSA-N 0 1 274.158 2.279 20 10 CECDMN [O-]c1c(C[N@H+]2CC[C@@H]3COC[C@H]3C2)ccc(F)c1F ZINC000703420050 809651739 /nfs/dbraw/zinc/65/17/39/809651739.db2.gz DFVQYFZNVRTTBC-GHMZBOCLSA-N 0 1 269.291 2.139 20 10 CECDMN CC[N@H+](CCCN(C)C)Cc1ccc(F)c(F)c1[O-] ZINC000703563483 809668939 /nfs/dbraw/zinc/66/89/39/809668939.db2.gz NIOGQEUJWZJSMW-UHFFFAOYSA-N 0 1 272.339 2.444 20 10 CECDMN CC[N@@H+](CCCN(C)C)Cc1ccc(F)c(F)c1[O-] ZINC000703563483 809668945 /nfs/dbraw/zinc/66/89/45/809668945.db2.gz NIOGQEUJWZJSMW-UHFFFAOYSA-N 0 1 272.339 2.444 20 10 CECDMN C[C@H](O)CC[NH2+]Cc1c([O-])cccc1Br ZINC000706828531 809855496 /nfs/dbraw/zinc/85/54/96/809855496.db2.gz GQMNVDBWHWKGBA-QMMMGPOBSA-N 0 1 274.158 2.015 20 10 CECDMN CCC[C@@](C)([NH2+]Cc1cc(F)cc(F)c1O)C(=O)[O-] ZINC000708215066 809924017 /nfs/dbraw/zinc/92/40/17/809924017.db2.gz FWZQKERLLFBGSW-CYBMUJFWSA-N 0 1 273.279 2.403 20 10 CECDMN COC[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708422844 809930322 /nfs/dbraw/zinc/93/03/22/809930322.db2.gz OZNSNXZFRKNBAB-SECBINFHSA-N 0 1 257.280 2.139 20 10 CECDMN [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000708441905 809931235 /nfs/dbraw/zinc/93/12/35/809931235.db2.gz LYIOOSRHGWOMIV-GXSJLCMTSA-N 0 1 269.291 2.139 20 10 CECDMN CC(C)COCC[C@@H](C)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001172465750 815448890 /nfs/dbraw/zinc/44/88/90/815448890.db2.gz XQQQNJBLWBWEAN-GFCCVEGCSA-N 0 1 295.379 2.321 20 10 CECDMN C[C@@H](CCCO)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691453598 811858811 /nfs/dbraw/zinc/85/88/11/811858811.db2.gz IUGMLSWREJQOEJ-VIFPVBQESA-N 0 1 288.185 2.405 20 10 CECDMN CC1(C)[C@@H]2C[C@H]([NH2+]CC(=O)c3ccc([O-])c(O)c3)C[C@@H]21 ZINC001170726295 813205777 /nfs/dbraw/zinc/20/57/77/813205777.db2.gz DCUQYCXKGADLAN-ZSBIGDGJSA-N 0 1 275.348 2.305 20 10 CECDMN CSC[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000217866438 813435800 /nfs/dbraw/zinc/43/58/00/813435800.db2.gz CPEQPRFNWGTKQK-LBPRGKRZSA-N 0 1 275.801 2.249 20 10 CECDMN [O-]c1cccc(Cl)c1C[NH2+]CC1=CCOCC1 ZINC000397858434 813642215 /nfs/dbraw/zinc/64/22/15/813642215.db2.gz WEYCPDQKLHZJSL-UHFFFAOYSA-N 0 1 253.729 2.482 20 10 CECDMN Oc1cc(F)c(Br)cc1CN1CC(F)C1 ZINC001144298997 814020578 /nfs/dbraw/zinc/02/05/78/814020578.db2.gz OFSLQHPRSSABDT-UHFFFAOYSA-N 0 1 278.096 2.448 20 10 CECDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2F)CC[C@]1(C)O ZINC001137833235 815692977 /nfs/dbraw/zinc/69/29/77/815692977.db2.gz XVSLIDBCFICPDH-HZMBPMFUSA-N 0 1 253.317 2.124 20 10 CECDMN [O-]c1cccc(F)c1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001137837652 815693149 /nfs/dbraw/zinc/69/31/49/815693149.db2.gz PUOMZYIPPVUCAS-LBPRGKRZSA-N 0 1 264.344 2.201 20 10 CECDMN [O-]c1cccc(F)c1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001137837652 815693155 /nfs/dbraw/zinc/69/31/55/815693155.db2.gz PUOMZYIPPVUCAS-LBPRGKRZSA-N 0 1 264.344 2.201 20 10 CECDMN COC(=O)CC[C@H]1CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137839095 815695183 /nfs/dbraw/zinc/69/51/83/815695183.db2.gz QYXVWWKQHICXBF-NSHDSACASA-N 0 1 281.327 2.306 20 10 CECDMN CC[NH+](CC)C[C@@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC001138130931 815736546 /nfs/dbraw/zinc/73/65/46/815736546.db2.gz LSUMBDGVODZHKR-CQSZACIVSA-N 0 1 296.386 2.074 20 10 CECDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001139681240 816079204 /nfs/dbraw/zinc/07/92/04/816079204.db2.gz NFKQXNMEFLBDFJ-ZJUUUORDSA-N 0 1 269.291 2.139 20 10 CECDMN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139683258 816081061 /nfs/dbraw/zinc/08/10/61/816081061.db2.gz JQRVROAUBFIBTG-ZJUUUORDSA-N 0 1 299.317 2.444 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2c([O-])c(F)ccc2F)C[C@@]1(C)O ZINC001139685687 816081552 /nfs/dbraw/zinc/08/15/52/816081552.db2.gz SSSJWQAAJDGPCJ-YMTOWFKASA-N 0 1 271.307 2.263 20 10 CECDMN Cc1noc([C@@H]2CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)n1 ZINC001139686283 816083745 /nfs/dbraw/zinc/08/37/45/816083745.db2.gz SDKSAOFMHQNCPC-SECBINFHSA-N 0 1 295.289 2.351 20 10 CECDMN Cc1ccc(C)c(CN2CC(=O)NC3(CCCC3)C2)c1O ZINC001140184973 816207432 /nfs/dbraw/zinc/20/74/32/816207432.db2.gz MRNVBGBOINIKHG-UHFFFAOYSA-N 0 1 288.391 2.254 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CO)C1 ZINC001140461045 816258660 /nfs/dbraw/zinc/25/86/60/816258660.db2.gz CIALUHRQQUCHOK-SNVBAGLBSA-N 0 1 255.745 2.250 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC001140461045 816258665 /nfs/dbraw/zinc/25/86/65/816258665.db2.gz CIALUHRQQUCHOK-SNVBAGLBSA-N 0 1 255.745 2.250 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001140464574 816259988 /nfs/dbraw/zinc/25/99/88/816259988.db2.gz VVUFQAWBKWEDGC-ZDUSSCGKSA-N 0 1 292.770 2.474 20 10 CECDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001140464574 816259993 /nfs/dbraw/zinc/25/99/93/816259993.db2.gz VVUFQAWBKWEDGC-ZDUSSCGKSA-N 0 1 292.770 2.474 20 10 CECDMN CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(Cl)cc2[O-])C1 ZINC001140464626 816260229 /nfs/dbraw/zinc/26/02/29/816260229.db2.gz XYEVQGZWVZKKGD-AWEZNQCLSA-N 0 1 296.798 2.488 20 10 CECDMN CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2[O-])C1 ZINC001140464626 816260232 /nfs/dbraw/zinc/26/02/32/816260232.db2.gz XYEVQGZWVZKKGD-AWEZNQCLSA-N 0 1 296.798 2.488 20 10 CECDMN Cn1cc(C[N@H+](C)Cc2c([O-])cc(F)cc2F)cn1 ZINC001140580169 816288533 /nfs/dbraw/zinc/28/85/33/816288533.db2.gz UEFHMPBPQSUYKR-UHFFFAOYSA-N 0 1 267.279 2.036 20 10 CECDMN Cn1cc(C[N@@H+](C)Cc2c([O-])cc(F)cc2F)cn1 ZINC001140580169 816288540 /nfs/dbraw/zinc/28/85/40/816288540.db2.gz UEFHMPBPQSUYKR-UHFFFAOYSA-N 0 1 267.279 2.036 20 10 CECDMN C[C@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)CC[C@H]1O ZINC001140582789 816290912 /nfs/dbraw/zinc/29/09/12/816290912.db2.gz MXYQRPMOFGSVPE-TVQRCGJNSA-N 0 1 271.307 2.263 20 10 CECDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cc(F)cc2F)[C@H]1C ZINC001140583945 816293804 /nfs/dbraw/zinc/29/38/04/816293804.db2.gz ZQKNGUKDZDVGNK-GXSJLCMTSA-N 0 1 299.317 2.444 20 10 CECDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001140585386 816294865 /nfs/dbraw/zinc/29/48/65/816294865.db2.gz HUAHWWKIEACYHB-LLVKDONJSA-N 0 1 294.305 2.099 20 10 CECDMN Cc1ccc(O)c(CN2CCN(C(=O)C3CCC3)CC2)c1 ZINC001140623536 816306863 /nfs/dbraw/zinc/30/68/63/816306863.db2.gz UBFOOUSUBQHRPC-UHFFFAOYSA-N 0 1 288.391 2.145 20 10 CECDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001142508759 816676643 /nfs/dbraw/zinc/67/66/43/816676643.db2.gz KIMODYMECQIHQN-KOLCDFICSA-N 0 1 269.291 2.139 20 10 CECDMN CCC[NH+]1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142524842 816680399 /nfs/dbraw/zinc/68/03/99/816680399.db2.gz MWECLJSMFPQUNF-UHFFFAOYSA-N 0 1 270.323 2.198 20 10 CECDMN C[N@@H+]1CC[C@@]2(CCN(Cc3cc(F)c(F)cc3[O-])C2)C1 ZINC001142526952 816680564 /nfs/dbraw/zinc/68/05/64/816680564.db2.gz CRVHPJOEWFOBPF-OAHLLOKOSA-N 0 1 282.334 2.198 20 10 CECDMN C[N@H+]1CC[C@@]2(CCN(Cc3cc(F)c(F)cc3[O-])C2)C1 ZINC001142526952 816680569 /nfs/dbraw/zinc/68/05/69/816680569.db2.gz CRVHPJOEWFOBPF-OAHLLOKOSA-N 0 1 282.334 2.198 20 10 CECDMN COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524795 816680692 /nfs/dbraw/zinc/68/06/92/816680692.db2.gz LAGCSGPDXDFFRZ-ONGXEEELSA-N 0 1 299.317 2.301 20 10 CECDMN Cc1cc(C)c(CNC(=O)[C@H]2CCCCN2C)c(O)c1 ZINC001178702263 816788901 /nfs/dbraw/zinc/78/89/01/816788901.db2.gz UTLWOTLJYKKXAQ-CQSZACIVSA-N 0 1 276.380 2.110 20 10 CECDMN C[C@@H](CC[S@@](C)=O)[NH2+]Cc1c([O-])cccc1Cl ZINC000125477675 365677351 /nfs/dbraw/zinc/67/73/51/365677351.db2.gz NDDVLVIBHHKFPX-XYZCENFISA-N 0 1 275.801 2.292 20 10 CECDMN Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000054128835 343585219 /nfs/dbraw/zinc/58/52/19/343585219.db2.gz BSAKOHPVNKRXJH-UHFFFAOYSA-N 0 1 272.352 2.056 20 10 CECDMN COc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000290626964 344684551 /nfs/dbraw/zinc/68/45/51/344684551.db2.gz XOWGWACDBOMLPG-IUODEOHRSA-N 0 1 278.396 2.173 20 10 CECDMN COc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290626964 344684554 /nfs/dbraw/zinc/68/45/54/344684554.db2.gz XOWGWACDBOMLPG-IUODEOHRSA-N 0 1 278.396 2.173 20 10 CECDMN COCCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000062032675 362702226 /nfs/dbraw/zinc/70/22/26/362702226.db2.gz UDMLZLFLGMXWOB-UHFFFAOYSA-N 0 1 269.316 2.202 20 10 CECDMN COCCC[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000062032675 362702231 /nfs/dbraw/zinc/70/22/31/362702231.db2.gz UDMLZLFLGMXWOB-UHFFFAOYSA-N 0 1 269.316 2.202 20 10 CECDMN COc1ccc(CN[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000067502550 362909789 /nfs/dbraw/zinc/90/97/89/362909789.db2.gz NLSZLFAIFSLDHF-LBPRGKRZSA-N 0 1 278.396 2.396 20 10 CECDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCCO1 ZINC000015416804 361472288 /nfs/dbraw/zinc/47/22/88/361472288.db2.gz YQLSYWKUCIJCSI-LLVKDONJSA-N 0 1 286.169 2.423 20 10 CECDMN CC(C)C[NH+]1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000160229555 366984557 /nfs/dbraw/zinc/98/45/57/366984557.db2.gz ROVGIKHZXGTOMS-UHFFFAOYSA-N 0 1 266.360 2.305 20 10 CECDMN CC[C@@H]1CN(Cc2cccc(OC)c2O)C[C@@H](C)O1 ZINC000245560682 370839668 /nfs/dbraw/zinc/83/96/68/370839668.db2.gz MZLCGXNSFACEQF-DGCLKSJQSA-N 0 1 265.353 2.400 20 10 CECDMN CCN(Cc1cnn(C)c1)Cc1cc(OC)ccc1O ZINC000179838988 368352944 /nfs/dbraw/zinc/35/29/44/368352944.db2.gz YNRKSWLQPLWPOD-UHFFFAOYSA-N 0 1 275.352 2.156 20 10 CECDMN CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180219663 368373414 /nfs/dbraw/zinc/37/34/14/368373414.db2.gz CFRKFZZMEGCYQO-LLVKDONJSA-N 0 1 282.771 2.004 20 10 CECDMN COc1ccc(O)c(CN2CCO[C@H](C)[C@@H]2C)c1 ZINC000180257294 368374815 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WYXWJDHLQZSSKA-DWTRPJMMSA-N 0 1 260.381 2.487 20 10 CECDMN O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C[C@@H]2CCCCN12 ZINC000835074285 638048497 /nfs/dbraw/zinc/04/84/97/638048497.db2.gz RIRYXUHCRIWKOR-QWHCGFSZSA-N 0 1 294.782 2.289 20 10 CECDMN COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876782041 650429024 /nfs/dbraw/zinc/42/90/24/650429024.db2.gz MHKOUEUDHGBNHF-AWEZNQCLSA-N 0 1 285.290 2.055 20 10 CECDMN Cc1cc([O-])c(C[N@H+](CCO)C2CC2)c(Cl)c1 ZINC000840911261 639582424 /nfs/dbraw/zinc/58/24/24/639582424.db2.gz ZOIGCYWAKWESEK-UHFFFAOYSA-N 0 1 255.745 2.311 20 10 CECDMN Cc1cc([O-])c(C[N@@H+](CCO)C2CC2)c(Cl)c1 ZINC000840911261 639582427 /nfs/dbraw/zinc/58/24/27/639582427.db2.gz ZOIGCYWAKWESEK-UHFFFAOYSA-N 0 1 255.745 2.311 20 10 CECDMN CNC(=O)[C@H](C)C[N@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840922097 639586564 /nfs/dbraw/zinc/58/65/64/639586564.db2.gz HZTUPCDAPUJQRC-SNVBAGLBSA-N 0 1 284.787 2.168 20 10 CECDMN CNC(=O)[C@H](C)C[N@@H+](C)Cc1c([O-])cc(C)cc1Cl ZINC000840922097 639586567 /nfs/dbraw/zinc/58/65/67/639586567.db2.gz HZTUPCDAPUJQRC-SNVBAGLBSA-N 0 1 284.787 2.168 20 10 CECDMN CN1CCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227440364 639590710 /nfs/dbraw/zinc/59/07/10/639590710.db2.gz IZJBHNMCOACHHM-GFCCVEGCSA-N 0 1 299.212 2.339 20 10 CECDMN Cc1cc([O-])c(C[NH2+]CCc2ccnn2C)c(Cl)c1 ZINC000840940290 639594613 /nfs/dbraw/zinc/59/46/13/639594613.db2.gz YKYYVNONTJBHPP-UHFFFAOYSA-N 0 1 279.771 2.420 20 10 CECDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c(Cl)c1 ZINC000840957142 639601541 /nfs/dbraw/zinc/60/15/41/639601541.db2.gz GBDMVURMVGTDFC-LLVKDONJSA-N 0 1 296.798 2.264 20 10 CECDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c(Cl)c1 ZINC000840957142 639601547 /nfs/dbraw/zinc/60/15/47/639601547.db2.gz GBDMVURMVGTDFC-LLVKDONJSA-N 0 1 296.798 2.264 20 10 CECDMN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000228098960 639616974 /nfs/dbraw/zinc/61/69/74/639616974.db2.gz CMYDAXHWVPVXKV-AWEZNQCLSA-N 0 1 282.771 2.004 20 10 CECDMN CCN1C[C@H](C)N(C(=O)Nc2ccc(N)cc2)C[C@H]1C ZINC000841297846 639731796 /nfs/dbraw/zinc/73/17/96/639731796.db2.gz IYEHVIURNQXSRK-NEPJUHHUSA-N 0 1 276.384 2.215 20 10 CECDMN Cn1nccc1CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000231033257 639822184 /nfs/dbraw/zinc/82/21/84/639822184.db2.gz QDQYSGMYGYGSTA-UHFFFAOYSA-N 0 1 265.744 2.111 20 10 CECDMN CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841748641 639857397 /nfs/dbraw/zinc/85/73/97/639857397.db2.gz XWUJVBCKGYRMFQ-VIFPVBQESA-N 0 1 291.800 2.131 20 10 CECDMN C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753908 639858718 /nfs/dbraw/zinc/85/87/18/639858718.db2.gz OJGAGXNEKLHNTM-KSRUKNBBSA-N 0 1 275.801 2.463 20 10 CECDMN CN(C)CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000173668673 639869912 /nfs/dbraw/zinc/86/99/12/639869912.db2.gz YVRSVEHQRBDUEX-UHFFFAOYSA-N 0 1 288.347 2.076 20 10 CECDMN CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000843040929 640247583 /nfs/dbraw/zinc/24/75/83/640247583.db2.gz MGYPSSBPNBPGBE-BXUZGUMPSA-N 0 1 293.363 2.334 20 10 CECDMN CCCN(Cc1cccc(F)c1[O-])[C@H]1CC[NH2+]C1 ZINC000843051625 640254259 /nfs/dbraw/zinc/25/42/59/640254259.db2.gz AHIIHKCSQYMGTG-LBPRGKRZSA-N 0 1 252.333 2.105 20 10 CECDMN [O-]c1c(Cl)cccc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843127709 640294450 /nfs/dbraw/zinc/29/44/50/640294450.db2.gz SIYWXYIARAGREP-GXFFZTMASA-N 0 1 266.772 2.229 20 10 CECDMN [O-]c1c(Cl)cccc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843127711 640294728 /nfs/dbraw/zinc/29/47/28/640294728.db2.gz SIYWXYIARAGREP-MFKMUULPSA-N 0 1 266.772 2.229 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN(C)[C@H](C[NH3+])C2CC2)c1[O-] ZINC000843387238 640413001 /nfs/dbraw/zinc/41/30/01/640413001.db2.gz QUJITRCPLRKMDD-CQSZACIVSA-N 0 1 296.798 2.417 20 10 CECDMN COc1cccc(O)c1CN1CCO[C@]2(CCSC2)C1 ZINC000843417541 640421660 /nfs/dbraw/zinc/42/16/60/640421660.db2.gz HOZCWMXPRBGNFJ-OAHLLOKOSA-N 0 1 295.404 2.109 20 10 CECDMN CCCN(Cc1ccccc1O)C(=O)c1ccc(CN)o1 ZINC000154143455 640813235 /nfs/dbraw/zinc/81/32/35/640813235.db2.gz RJXZUHSVQXPFQT-UHFFFAOYSA-N 0 1 288.347 2.496 20 10 CECDMN CCO[C@@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)C[C@H]1C[NH3+] ZINC000844903942 640861437 /nfs/dbraw/zinc/86/14/37/640861437.db2.gz SLISRXVNWMLJPL-IAQYHMDHSA-N 0 1 298.814 2.150 20 10 CECDMN CCCN(CC(=O)OC)Cc1c(O)ccc2ccncc21 ZINC000918176174 640947503 /nfs/dbraw/zinc/94/75/03/640947503.db2.gz QOMRRMSSWSUADY-UHFFFAOYSA-N 0 1 288.347 2.325 20 10 CECDMN CN(C)c1ncc(C[NH2+]Cc2cc(Cl)ccc2[O-])cn1 ZINC000846058488 641166237 /nfs/dbraw/zinc/16/62/37/641166237.db2.gz PXYJMCJMNVSSGA-UHFFFAOYSA-N 0 1 292.770 2.191 20 10 CECDMN CCN(C)c1ccc(C[N@@H+](CCOC)CCC(=O)[O-])cc1 ZINC000846271230 641249081 /nfs/dbraw/zinc/24/90/81/641249081.db2.gz BQKZMYIQYCYOKK-UHFFFAOYSA-N 0 1 294.395 2.066 20 10 CECDMN C[C@H]1CN(Cc2ccccc2O)CCN1CC(F)(F)F ZINC000179587705 641366490 /nfs/dbraw/zinc/36/64/90/641366490.db2.gz SJBJNBBVTWKXBX-NSHDSACASA-N 0 1 288.313 2.461 20 10 CECDMN CC[C@@]1(O)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877440844 650722997 /nfs/dbraw/zinc/72/29/97/650722997.db2.gz NCUZFAYETQPPHT-CYBMUJFWSA-N 0 1 257.280 2.017 20 10 CECDMN CCc1cccc(CN(C)CC(=O)NC(C)(C)C)c1O ZINC000848879736 642167104 /nfs/dbraw/zinc/16/71/04/642167104.db2.gz ASZNAOVGOQPJTH-UHFFFAOYSA-N 0 1 278.396 2.301 20 10 CECDMN Cc1ccc(CN2CCOC[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC000877516146 650761249 /nfs/dbraw/zinc/76/12/49/650761249.db2.gz BPNDSLXQLVCEHR-HOCLYGCPSA-N 0 1 277.364 2.080 20 10 CECDMN Cc1ccc(CN2CCOC[C@H]2[C@H]2CCCO2)c(O)c1 ZINC000877516145 650761378 /nfs/dbraw/zinc/76/13/78/650761378.db2.gz BPNDSLXQLVCEHR-GOEBONIOSA-N 0 1 277.364 2.080 20 10 CECDMN CO[C@H](C[NH2+]Cc1c([O-])cccc1Cl)[C@H]1CCOC1 ZINC000850343763 642674562 /nfs/dbraw/zinc/67/45/62/642674562.db2.gz WNXPKAYABRKIAZ-IINYFYTJSA-N 0 1 285.771 2.187 20 10 CECDMN C[C@H]([NH2+]C/C=C\CO)c1cc(Br)ccc1[O-] ZINC000850507859 642734803 /nfs/dbraw/zinc/73/48/03/642734803.db2.gz IJRGBSFOLWUEFH-XADBCAIWSA-N 0 1 286.169 2.354 20 10 CECDMN Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c(O)c1 ZINC000877561295 650790463 /nfs/dbraw/zinc/79/04/63/650790463.db2.gz DRHDOALIHDQKHV-BZUAXINKSA-N 0 1 291.391 2.062 20 10 CECDMN Oc1ccccc1CN[C@@H](c1ncccn1)C1CC1 ZINC000922579694 643139251 /nfs/dbraw/zinc/13/92/51/643139251.db2.gz JUZHLPPDIKANIT-CQSZACIVSA-N 0 1 255.321 2.423 20 10 CECDMN COC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000754386092 644366658 /nfs/dbraw/zinc/36/66/58/644366658.db2.gz UEIWGPRYVLYGJY-AWEZNQCLSA-N 0 1 283.343 2.495 20 10 CECDMN CC[S@@](=O)CC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000756578040 644671756 /nfs/dbraw/zinc/67/17/56/644671756.db2.gz VQAUDESUXOXYQY-VVVCHXIZSA-N 0 1 275.801 2.465 20 10 CECDMN Cc1cc(CNCc2ccc(N(C)C)cc2)ncn1 ZINC000756989085 644716305 /nfs/dbraw/zinc/71/63/05/644716305.db2.gz BCRHYPSLACWZGI-UHFFFAOYSA-N 0 1 256.353 2.141 20 10 CECDMN C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(Cl)ccc1[O-] ZINC000840825312 644771174 /nfs/dbraw/zinc/77/11/74/644771174.db2.gz DURUSNQEEXTTFL-VHSXEESVSA-N 0 1 282.771 2.222 20 10 CECDMN C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1CO ZINC000857061645 644806533 /nfs/dbraw/zinc/80/65/33/644806533.db2.gz SVEUIABNSKDXOG-GHMZBOCLSA-N 0 1 269.772 2.496 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1CO ZINC000857061645 644806542 /nfs/dbraw/zinc/80/65/42/644806542.db2.gz SVEUIABNSKDXOG-GHMZBOCLSA-N 0 1 269.772 2.496 20 10 CECDMN CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000759174909 644992608 /nfs/dbraw/zinc/99/26/08/644992608.db2.gz ZTDFIXSNHLWKOU-GXTWGEPZSA-N 0 1 285.771 2.329 20 10 CECDMN CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000858588860 645215313 /nfs/dbraw/zinc/21/53/13/645215313.db2.gz SDQPENXAWJJVPT-RKDXNWHRSA-N 0 1 286.759 2.105 20 10 CECDMN Cc1cccc(CN2CC[C@H](C)[S@@](=O)CC2)c1O ZINC000763491063 645550375 /nfs/dbraw/zinc/55/03/75/645550375.db2.gz MKLUAOLWNWGYEE-SGTLLEGYSA-N 0 1 267.394 2.044 20 10 CECDMN CCN(CC)c1ccc(CN(C)[C@@H]2CCCNC2=O)cc1 ZINC000766837984 645928871 /nfs/dbraw/zinc/92/88/71/645928871.db2.gz DAXAMYHFNZSTJF-MRXNPFEDSA-N 0 1 289.423 2.243 20 10 CECDMN CN(C)c1cc(F)c(CN2CC[C@@H]3COC[C@H]3C2)cc1F ZINC000862418255 646452116 /nfs/dbraw/zinc/45/21/16/646452116.db2.gz HRLAVEHNGAMZQG-DGCLKSJQSA-N 0 1 296.361 2.499 20 10 CECDMN CC(=O)c1cc(Cl)cc(CN(C)C[C@@H](C)[NH3+])c1[O-] ZINC000863566197 646757889 /nfs/dbraw/zinc/75/78/89/646757889.db2.gz DSWYRPIFRNAASJ-MRVPVSSYSA-N 0 1 270.760 2.027 20 10 CECDMN C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@H]1C(=O)[O-] ZINC000863739594 646803368 /nfs/dbraw/zinc/80/33/68/646803368.db2.gz MWSBISXSUALTGW-MWLCHTKSSA-N 0 1 267.300 2.074 20 10 CECDMN C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@H]1C(=O)[O-] ZINC000863739594 646803371 /nfs/dbraw/zinc/80/33/71/646803371.db2.gz MWSBISXSUALTGW-MWLCHTKSSA-N 0 1 267.300 2.074 20 10 CECDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC1(C)COC1 ZINC000864051402 646871316 /nfs/dbraw/zinc/87/13/16/646871316.db2.gz IBZSVUOPDISVQE-UHFFFAOYSA-N 0 1 257.280 2.139 20 10 CECDMN [O-]c1c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)ccc(F)c1F ZINC000864051754 646872638 /nfs/dbraw/zinc/87/26/38/646872638.db2.gz QUMVGQPWBHWCHM-HNNXBMFYSA-N 0 1 283.318 2.407 20 10 CECDMN C[N@@H+](CCN1CCCC1=O)Cc1cccc(Cl)c1[O-] ZINC000775692252 646981598 /nfs/dbraw/zinc/98/15/98/646981598.db2.gz TVJGEFSLWXKYQN-UHFFFAOYSA-N 0 1 282.771 2.100 20 10 CECDMN C[C@H](O)CC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775702343 646981949 /nfs/dbraw/zinc/98/19/49/646981949.db2.gz QLLHNZIXADIQMR-QMMMGPOBSA-N 0 1 261.724 2.387 20 10 CECDMN C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cccc(Cl)c1O ZINC000775712685 646983096 /nfs/dbraw/zinc/98/30/96/646983096.db2.gz BEMMAHJYFQOSHR-MHNGPXOMSA-N 0 1 287.812 2.387 20 10 CECDMN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@H]1OC ZINC000775977397 647012158 /nfs/dbraw/zinc/01/21/58/647012158.db2.gz CFSHQXZTERUFKK-IACUBPJLSA-N 0 1 285.771 2.328 20 10 CECDMN CCOc1ccc(C[N@@H+](CCO)C2CCC2)c(O)c1 ZINC000784671147 647873922 /nfs/dbraw/zinc/87/39/22/647873922.db2.gz FMWMSKQAAIVFGS-UHFFFAOYSA-N 0 1 265.353 2.138 20 10 CECDMN COc1ccc(N2CCN(CCC[C@@H](C)O)CC2)cc1F ZINC000789328554 648288851 /nfs/dbraw/zinc/28/88/51/648288851.db2.gz XMWZIWHHJMRNQI-CYBMUJFWSA-N 0 1 296.386 2.117 20 10 CECDMN C[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000789558329 648316899 /nfs/dbraw/zinc/31/68/99/648316899.db2.gz WYXGIKQAQLBBFU-ZDUSSCGKSA-N 0 1 255.745 2.392 20 10 CECDMN C[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000789558329 648316904 /nfs/dbraw/zinc/31/69/04/648316904.db2.gz WYXGIKQAQLBBFU-ZDUSSCGKSA-N 0 1 255.745 2.392 20 10 CECDMN Cc1[nH]ccc(=NC(=O)c2cccc(O)c2O)c1Cl ZINC000790927537 648461006 /nfs/dbraw/zinc/46/10/06/648461006.db2.gz IXOCZGFVZGCHDI-UHFFFAOYSA-N 0 1 278.695 2.129 20 10 CECDMN CCN(CC(=O)N(C)C)Cc1c(O)ccc(Cl)c1F ZINC000792163367 648617386 /nfs/dbraw/zinc/61/73/86/648617386.db2.gz XHFFTGISWHYABD-UHFFFAOYSA-N 0 1 288.750 2.095 20 10 CECDMN C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]1CO ZINC000792181186 648620757 /nfs/dbraw/zinc/62/07/57/648620757.db2.gz XPCJLWNDQXWDIH-LDYMZIIASA-N 0 1 273.735 2.387 20 10 CECDMN COC(=O)[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000792204154 648625280 /nfs/dbraw/zinc/62/52/80/648625280.db2.gz XIJAOPAAZBSLKK-CABZTGNLSA-N 0 1 283.755 2.477 20 10 CECDMN C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc2ccccc2c1[O-] ZINC000872141147 649290016 /nfs/dbraw/zinc/29/00/16/649290016.db2.gz NOGPDOZVAHPUPJ-HFBAOOFYSA-N 0 1 287.359 2.346 20 10 CECDMN CC[C@]1(O)CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000879310654 651281268 /nfs/dbraw/zinc/28/12/68/651281268.db2.gz LFUIRTKCYUZDAC-INIZCTEOSA-N 0 1 295.354 2.471 20 10 CECDMN CC[C@]1(O)CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000879310654 651281271 /nfs/dbraw/zinc/28/12/71/651281271.db2.gz LFUIRTKCYUZDAC-INIZCTEOSA-N 0 1 295.354 2.471 20 10 CECDMN CC[C@]1(O)CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000879310654 651281274 /nfs/dbraw/zinc/28/12/74/651281274.db2.gz LFUIRTKCYUZDAC-INIZCTEOSA-N 0 1 295.354 2.471 20 10 CECDMN C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000130866434 652349738 /nfs/dbraw/zinc/34/97/38/652349738.db2.gz YWYFCIPVQSZHQT-VVVCHXIZSA-N 0 1 275.801 2.244 20 10 CECDMN C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000130866434 652349744 /nfs/dbraw/zinc/34/97/44/652349744.db2.gz YWYFCIPVQSZHQT-VVVCHXIZSA-N 0 1 275.801 2.244 20 10 CECDMN C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000130866434 652349745 /nfs/dbraw/zinc/34/97/45/652349745.db2.gz YWYFCIPVQSZHQT-VVVCHXIZSA-N 0 1 275.801 2.244 20 10 CECDMN C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000130866859 652349881 /nfs/dbraw/zinc/34/98/81/652349881.db2.gz YWYFCIPVQSZHQT-XLFHBGCDSA-N 0 1 275.801 2.244 20 10 CECDMN C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000130866859 652349884 /nfs/dbraw/zinc/34/98/84/652349884.db2.gz YWYFCIPVQSZHQT-XLFHBGCDSA-N 0 1 275.801 2.244 20 10 CECDMN C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000130866859 652349887 /nfs/dbraw/zinc/34/98/87/652349887.db2.gz YWYFCIPVQSZHQT-XLFHBGCDSA-N 0 1 275.801 2.244 20 10 CECDMN CCC[N@@H+](CC(=O)NC)Cc1cc(Cl)ccc1O ZINC000133287426 652618849 /nfs/dbraw/zinc/61/88/49/652618849.db2.gz VRRHNGYREXTKFS-UHFFFAOYSA-N 0 1 270.760 2.004 20 10 CECDMN CCC[N@H+](CC(=O)NC)Cc1cc(Cl)ccc1[O-] ZINC000133287426 652618851 /nfs/dbraw/zinc/61/88/51/652618851.db2.gz VRRHNGYREXTKFS-UHFFFAOYSA-N 0 1 270.760 2.004 20 10 CECDMN CCC[N@@H+](CC(=O)NC)Cc1cc(Cl)ccc1[O-] ZINC000133287426 652618853 /nfs/dbraw/zinc/61/88/53/652618853.db2.gz VRRHNGYREXTKFS-UHFFFAOYSA-N 0 1 270.760 2.004 20 10 CECDMN CCCN(CC(=O)NC)Cc1cc(Cl)ccc1O ZINC000133287426 652618855 /nfs/dbraw/zinc/61/88/55/652618855.db2.gz VRRHNGYREXTKFS-UHFFFAOYSA-N 0 1 270.760 2.004 20 10 CECDMN