smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC001566562769 1125736390 /nfs/dbraw/zinc/73/63/90/1125736390.db2.gz NQFTUMWMFPOTEU-INIZCTEOSA-N 0 3 331.460 2.076 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2nccc(C)n2)cc1C ZINC001497569565 1102680912 /nfs/dbraw/zinc/68/09/12/1102680912.db2.gz VFTSCBFOUZQUDL-PLNGDYQASA-N 0 3 340.427 2.178 10 10 EECEHN COc1ccnc(NC2CCN(Cc3cccc(OC)c3O)CC2)n1 ZINC000191688752 237268529 /nfs/dbraw/zinc/26/85/29/237268529.db2.gz SREGSEMIAULINL-UHFFFAOYSA-N 0 3 344.415 2.276 10 10 EECEHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)CC[C@@H]1C)cc2=O ZINC000072897557 463561131 /nfs/dbraw/zinc/56/11/31/463561131.db2.gz SAWBIPMSOBYMCG-RYUDHWBXSA-N 0 3 332.404 2.232 10 10 EECEHN CC[S@](=O)CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765955467 577510015 /nfs/dbraw/zinc/51/00/15/577510015.db2.gz VVGCRTGRRDPMSA-XMHCIUCPSA-N 0 3 328.453 2.082 10 10 EECEHN CC(C)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C(=O)NCCN(C)C ZINC000756860351 577851775 /nfs/dbraw/zinc/85/17/75/577851775.db2.gz UMLASZHKLNXYIZ-CJNGLKHVSA-N 0 3 339.455 2.274 10 10 EECEHN CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000866576921 1201551619 /nfs/dbraw/zinc/55/16/19/1201551619.db2.gz BQUHCKSQPICPJC-MRXNPFEDSA-N 0 3 346.452 2.120 10 10 EECEHN OCC1CCN(c2ccc(CNCc3cnn4c3CCC4)cc2)CC1 ZINC000850072614 1277017039 /nfs/dbraw/zinc/01/70/39/1277017039.db2.gz DQANMTHNTRSQEH-UHFFFAOYSA-N 0 3 340.471 2.328 10 10 EECEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@](C)(CO)OC)c1[O-] ZINC000848556202 1338720950 /nfs/dbraw/zinc/72/09/50/1338720950.db2.gz PVASXIYNYQFYDU-XPTSAGLGSA-N 0 3 348.237 2.211 10 10 EECEHN C[C@H](N[C@@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000818362125 785256558 /nfs/dbraw/zinc/25/65/58/785256558.db2.gz PPPUPAFZVRDUHA-WMLDXEAASA-N 0 3 329.444 2.475 10 10 EECEHN O[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cn1 ZINC000818966683 785332280 /nfs/dbraw/zinc/33/22/80/785332280.db2.gz MSYUXJIKTQFKIU-GOSISDBHSA-N 0 3 349.381 2.020 10 10 EECEHN Cc1cc(C(=O)N(C)CCN(C)CCO)c(C)n1-c1ccc(F)cc1 ZINC000912611421 788267338 /nfs/dbraw/zinc/26/73/38/788267338.db2.gz PQTHRMDDOGPIIC-UHFFFAOYSA-N 0 3 347.434 2.229 10 10 EECEHN CCn1cc(C(=O)NC/C=C/CNCc2ccc(OC)c(C)c2)cn1 ZINC001497550322 1102654330 /nfs/dbraw/zinc/65/43/30/1102654330.db2.gz IFAOGQMDVNHXEG-AATRIKPKSA-N 0 3 342.443 2.296 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2cccnc2)cc1C ZINC001568807490 1124823324 /nfs/dbraw/zinc/82/33/24/1124823324.db2.gz QHLPIIODHXMQGA-ONEGZZNKSA-N 0 3 325.412 2.474 10 10 EECEHN CN1CCCc2cc(CNC(=O)N3CC[C@H](N4CC=CC4)C3)ccc21 ZINC000174446969 464408413 /nfs/dbraw/zinc/40/84/13/464408413.db2.gz YSMYLHXSTCMWDH-SFHVURJKSA-N 0 3 340.471 2.225 10 10 EECEHN c1cc(N2CCOCC2)ccc1CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000769527252 577579806 /nfs/dbraw/zinc/57/98/06/577579806.db2.gz OUMXXEPVJWPBIA-HXUWFJFHSA-N 0 3 346.471 2.293 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)C[C@@H]2CCCO2)cc1C ZINC001268517467 1183166774 /nfs/dbraw/zinc/16/67/74/1183166774.db2.gz ZZLQLZOYGHSPNS-IDOMTICXSA-N 0 3 332.444 2.335 10 10 EECEHN CC[C@H](F)CNC/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268632791 1183560837 /nfs/dbraw/zinc/56/08/37/1183560837.db2.gz KJOYZRQAJYHVBE-YXVXEQSYSA-N 0 3 335.383 2.473 10 10 EECEHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(OCCO)CCOC2)c1[O-] ZINC000850506001 1277253157 /nfs/dbraw/zinc/25/31/57/1277253157.db2.gz APDKQLXVKWXWGH-MLGOLLRUSA-N 0 3 329.824 2.173 10 10 EECEHN CN(C)c1cc(F)c(CN2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1F ZINC000862384632 1295819491 /nfs/dbraw/zinc/81/94/91/1295819491.db2.gz FMPJPKPXPUKOEP-MRRJBJDNSA-N 0 3 340.414 2.393 10 10 EECEHN CC[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1[O-] ZINC000797097017 1304644800 /nfs/dbraw/zinc/64/48/00/1304644800.db2.gz SSNFKZRKNLLVKU-DZGCQCFKSA-N 0 3 326.462 2.247 10 10 EECEHN COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)C3CCCCC3)C2)cc1 ZINC001329937893 1334744352 /nfs/dbraw/zinc/74/43/52/1334744352.db2.gz PSAJTQUKUKEAHI-CRAIPNDOSA-N 0 3 331.460 2.298 10 10 EECEHN C[C@H]1CCN(CC(=O)NCc2cc(Br)ccc2O)C1 ZINC000848067771 1338481258 /nfs/dbraw/zinc/48/12/58/1338481258.db2.gz BHZBLBLXIMKJBC-JTQLQIEISA-N 0 3 327.222 2.113 10 10 EECEHN COc1cc(Br)cc([C@H](C)[NH2+]C2COCCOC2)c1[O-] ZINC000848551234 1338720257 /nfs/dbraw/zinc/72/02/57/1338720257.db2.gz GWHYWMXGYXZEIE-VIFPVBQESA-N 0 3 346.221 2.229 10 10 EECEHN COc1ccc(CN(C)C)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001440743879 1093991579 /nfs/dbraw/zinc/99/15/79/1093991579.db2.gz GVQPRYIELXCHRK-UHFFFAOYSA-N 0 3 330.384 2.349 10 10 EECEHN Cc1cc(NC(=O)c2cccc(O)c2[O-])n(C2CC[NH+](C)CC2)n1 ZINC001445170321 1100428443 /nfs/dbraw/zinc/42/84/43/1100428443.db2.gz BQMVNUMSWLAPQR-UHFFFAOYSA-N 0 3 330.388 2.122 10 10 EECEHN Cc1cc(N2CCC[C@H](NCc3cc(C)c(C)cc3O)C2=O)n(C)n1 ZINC000080526604 463328179 /nfs/dbraw/zinc/32/81/79/463328179.db2.gz NTGLRMXDCDULRB-INIZCTEOSA-N 0 3 342.443 2.336 10 10 EECEHN Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(C)c(C)cc3[O-])C2=O)n(C)n1 ZINC000080526604 463328182 /nfs/dbraw/zinc/32/81/82/463328182.db2.gz NTGLRMXDCDULRB-INIZCTEOSA-N 0 3 342.443 2.336 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cccc(OCC)c1O ZINC000373587492 466857721 /nfs/dbraw/zinc/85/77/21/466857721.db2.gz XNTDZYRGKYHWSQ-GJZGRUSLSA-N 0 3 337.416 2.333 10 10 EECEHN CCN1CCN([C@@H]2CC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)CC1 ZINC000191330477 529151231 /nfs/dbraw/zinc/15/12/31/529151231.db2.gz BOEXHKUTQPSWKJ-CYBMUJFWSA-N 0 3 341.858 2.397 10 10 EECEHN CCN1CCN([C@@H]2CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)CC1 ZINC000191330477 529151232 /nfs/dbraw/zinc/15/12/32/529151232.db2.gz BOEXHKUTQPSWKJ-CYBMUJFWSA-N 0 3 341.858 2.397 10 10 EECEHN CCN(CC)c1ccc(CN[C@H]2C(=O)NCC23CCOCC3)cc1F ZINC000895772096 684718160 /nfs/dbraw/zinc/71/81/60/684718160.db2.gz BXGKWZHQEKXWEN-KRWDZBQOSA-N 0 3 349.450 2.057 10 10 EECEHN O=C(NCc1ccccc1O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000850758833 1277331241 /nfs/dbraw/zinc/33/12/41/1277331241.db2.gz JMXAFMJFZRJWAU-QGZVFWFLSA-N 0 3 327.384 2.375 10 10 EECEHN CCN(C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1 ZINC000854297747 1292708918 /nfs/dbraw/zinc/70/89/18/1292708918.db2.gz WDMNZNSXIMXMDO-DOTOQJQBSA-N 0 3 346.475 2.010 10 10 EECEHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c([O-])c1 ZINC000858488640 1294131536 /nfs/dbraw/zinc/13/15/36/1294131536.db2.gz JHNDMPGZYJNZJN-KGLIPLIRSA-N 0 3 338.415 2.068 10 10 EECEHN CCOc1ccc(N2CCN(C[C@H](OC)[C@H]3CCOC3)CC2)cc1 ZINC001118496016 1308867981 /nfs/dbraw/zinc/86/79/81/1308867981.db2.gz KVTWHKFJLGIDJL-LPHOPBHVSA-N 0 3 334.460 2.259 10 10 EECEHN COc1ccc(CNCC=CCNC(=O)c2[nH]cnc2C)cc1C ZINC001321445937 1333106768 /nfs/dbraw/zinc/10/67/68/1333106768.db2.gz XWCLPLQIXIIJMR-SNAWJCMRSA-N 0 3 328.416 2.111 10 10 EECEHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1[O-] ZINC001331582856 1335040642 /nfs/dbraw/zinc/04/06/42/1335040642.db2.gz YQJUCGISKPFZBS-CQSZACIVSA-N 0 3 341.835 2.418 10 10 EECEHN COc1cc(Cl)cc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c1[O-] ZINC001331582856 1335040647 /nfs/dbraw/zinc/04/06/47/1335040647.db2.gz YQJUCGISKPFZBS-CQSZACIVSA-N 0 3 341.835 2.418 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)[C@H](C)C(C)(C)C)cc1C ZINC001676543648 1357162310 /nfs/dbraw/zinc/16/23/10/1357162310.db2.gz FMJXHNQELGSGFW-GOEBONIOSA-N 0 3 336.476 2.253 10 10 EECEHN COC(=O)c1cc2ccccc2c(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1O ZINC000844744637 789342758 /nfs/dbraw/zinc/34/27/58/789342758.db2.gz PMMGIZFFFVZUPA-ORPWPGRKSA-N 0 3 345.420 2.037 10 10 EECEHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000121527317 463151770 /nfs/dbraw/zinc/15/17/70/463151770.db2.gz BHVJLPHDTUQEOG-ZDUSSCGKSA-N 0 3 333.457 2.251 10 10 EECEHN C[C@@H]1CC[C@@](CO)(N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000187929659 464174288 /nfs/dbraw/zinc/17/42/88/464174288.db2.gz SPWKQZDNDWRXGT-OXQOHEQNSA-N 0 3 347.503 2.194 10 10 EECEHN CCOc1cccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1[O-] ZINC000282853514 464975312 /nfs/dbraw/zinc/97/53/12/464975312.db2.gz PRASFNAJFKDIJP-YJBOKZPZSA-N 0 3 335.444 2.448 10 10 EECEHN CN1C[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1=O ZINC000738438810 578015237 /nfs/dbraw/zinc/01/52/37/578015237.db2.gz GEHHFDKXKDKEKT-OAHLLOKOSA-N 0 3 346.431 2.296 10 10 EECEHN CCOc1ccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c([O-])c1 ZINC000769342387 577575522 /nfs/dbraw/zinc/57/55/22/577575522.db2.gz LZMQYBAZQSPPGB-SFHVURJKSA-N 0 3 347.503 2.393 10 10 EECEHN CCOc1ccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c([O-])c1 ZINC000769342387 577575523 /nfs/dbraw/zinc/57/55/23/577575523.db2.gz LZMQYBAZQSPPGB-SFHVURJKSA-N 0 3 347.503 2.393 10 10 EECEHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])CCC3)CC[C@H]1N1CCN(C)CC1 ZINC000763343980 577719605 /nfs/dbraw/zinc/71/96/05/577719605.db2.gz ZNLSNKWNAQUULZ-OXQOHEQNSA-N 0 3 343.515 2.339 10 10 EECEHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])CCC3)CC[C@H]1N1CCN(C)CC1 ZINC000763343980 577719606 /nfs/dbraw/zinc/71/96/06/577719606.db2.gz ZNLSNKWNAQUULZ-OXQOHEQNSA-N 0 3 343.515 2.339 10 10 EECEHN COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000743874279 577890928 /nfs/dbraw/zinc/89/09/28/577890928.db2.gz YWQKLQZXPOCZLS-IRXDYDNUSA-N 0 3 345.487 2.464 10 10 EECEHN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000745828166 577919214 /nfs/dbraw/zinc/91/92/14/577919214.db2.gz PFURWRKDWQEZIB-SFHVURJKSA-N 0 3 328.460 2.217 10 10 EECEHN CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000866576920 1201551925 /nfs/dbraw/zinc/55/19/25/1201551925.db2.gz BQUHCKSQPICPJC-INIZCTEOSA-N 0 3 346.452 2.120 10 10 EECEHN C[C@@H](NCc1cc(N)ccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000925772130 1206152506 /nfs/dbraw/zinc/15/25/06/1206152506.db2.gz QBCALHPVLLPQSL-CYBMUJFWSA-N 0 3 330.407 2.490 10 10 EECEHN CCOc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c([O-])c1 ZINC000801734754 1236107324 /nfs/dbraw/zinc/10/73/24/1236107324.db2.gz JXHQRWBNVIHBHC-QAPCUYQASA-N 0 3 335.444 2.448 10 10 EECEHN CCc1cccc(CNCCS(=O)(=O)CC(F)(F)F)c1O ZINC000827045311 1249653445 /nfs/dbraw/zinc/65/34/45/1249653445.db2.gz SBJDPPHHKJAUTL-UHFFFAOYSA-N 0 3 325.352 2.021 10 10 EECEHN CC[C@H]1C[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000850322672 1277169245 /nfs/dbraw/zinc/16/92/45/1277169245.db2.gz CTFHYTACWGEETQ-KGLIPLIRSA-N 0 3 326.387 2.459 10 10 EECEHN CCOc1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c([O-])c1 ZINC000850348525 1277191899 /nfs/dbraw/zinc/19/18/99/1277191899.db2.gz OCHRYJWNKHZQEW-OAQYLSRUSA-N 0 3 325.352 2.192 10 10 EECEHN CC[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1[O-] ZINC000858488737 1294131672 /nfs/dbraw/zinc/13/16/72/1294131672.db2.gz KLJQEUTVQJWQIQ-HIFRSBDPSA-N 0 3 338.415 2.150 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)C2(C)CCCC2)cc1C ZINC001283784973 1326253785 /nfs/dbraw/zinc/25/37/85/1326253785.db2.gz QUIJYOACTIDYLC-INIZCTEOSA-N 0 3 334.460 2.151 10 10 EECEHN C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccnn1C ZINC001351782899 1337848154 /nfs/dbraw/zinc/84/81/54/1337848154.db2.gz JPSKXRYGQADKAD-AWEZNQCLSA-N 0 3 331.439 2.162 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)[C@H](C)C(C)(C)C)cc1C ZINC001676543649 1357162450 /nfs/dbraw/zinc/16/24/50/1357162450.db2.gz FMJXHNQELGSGFW-HOCLYGCPSA-N 0 3 336.476 2.253 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)c2ccsc2C)cc1C ZINC001676529945 1357161797 /nfs/dbraw/zinc/16/17/97/1357161797.db2.gz PBGNFOZQHSAURL-OAHLLOKOSA-N 0 3 348.468 2.254 10 10 EECEHN CN(C)c1ccc(/C=C\CN2CCC3(CNC(=O)N3C)CC2)cc1 ZINC000822530288 787237250 /nfs/dbraw/zinc/23/72/50/787237250.db2.gz WMVPUCPVFHZYRP-PLNGDYQASA-N 0 3 328.460 2.255 10 10 EECEHN COc1ccc(CNC2(CNC(=O)C[C@@H]3CCCO3)CC2)cc1C ZINC001483720396 1190816531 /nfs/dbraw/zinc/81/65/31/1190816531.db2.gz WOLGUQXCYFBAOW-INIZCTEOSA-N 0 3 332.444 2.311 10 10 EECEHN O=C(CC1(N2CCOCC2)CCCC1)N1Cc2cccc(O)c2C1 ZINC000871202257 1201098632 /nfs/dbraw/zinc/09/86/32/1201098632.db2.gz BIYXFUOGWVEUQC-UHFFFAOYSA-N 0 3 330.428 2.270 10 10 EECEHN C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccnnc1 ZINC000924727828 1206025087 /nfs/dbraw/zinc/02/50/87/1206025087.db2.gz GTWOPRDIANTPAN-WMLDXEAASA-N 0 3 339.443 2.029 10 10 EECEHN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](N)c3ccccc3)C2)cc1 ZINC000851639372 1277697741 /nfs/dbraw/zinc/69/77/41/1277697741.db2.gz DQHWVEAPDOVOKS-VQIMIIECSA-N 0 3 339.439 2.480 10 10 EECEHN COc1ccc(N2CC[C@@H](NC(=O)c3cccc4c3CNC4)C2)cc1 ZINC000852843730 1292213247 /nfs/dbraw/zinc/21/32/47/1292213247.db2.gz GBXRANQMVCXKKW-OAHLLOKOSA-N 0 3 337.423 2.307 10 10 EECEHN NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000862483406 1295855984 /nfs/dbraw/zinc/85/59/84/1295855984.db2.gz MPVNCJTYUROPIS-WKILWMFISA-N 0 3 326.396 2.325 10 10 EECEHN C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccccc1[O-] ZINC000842884874 1315791609 /nfs/dbraw/zinc/79/16/09/1315791609.db2.gz UVTUOKSKVASNLT-OLZOCXBDSA-N 0 3 333.409 2.278 10 10 EECEHN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001261673371 1322151660 /nfs/dbraw/zinc/15/16/60/1322151660.db2.gz RQEXVYMDWLSFLL-GOSISDBHSA-N 0 3 330.476 2.475 10 10 EECEHN COc1c([O-])c(CN2CCCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000903959263 1331618094 /nfs/dbraw/zinc/61/80/94/1331618094.db2.gz DDOKFPQUNITBIU-QGZVFWFLSA-N 0 3 335.404 2.275 10 10 EECEHN CCOc1ccc(N2CCN(C[C@@H](C)CN3CCOCC3)CC2)cc1 ZINC001616489155 1352329208 /nfs/dbraw/zinc/32/92/08/1352329208.db2.gz LEQJIDQJQMNLSR-GOSISDBHSA-N 0 3 347.503 2.176 10 10 EECEHN CCN1C[C@H](CN(Cc2ccccc2O)C[C@H]2CCCO2)OC1=O ZINC000846824064 790599858 /nfs/dbraw/zinc/59/98/58/790599858.db2.gz GSWCWPNJMFYXCI-CVEARBPZSA-N 0 3 334.416 2.214 10 10 EECEHN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CCCCN2C)cc1 ZINC001479490530 1098563052 /nfs/dbraw/zinc/56/30/52/1098563052.db2.gz KHCYQFZLKKKTHG-KRWDZBQOSA-N 0 3 348.491 2.257 10 10 EECEHN c1cnn(-c2ccc(CNCc3ccc(N4CCOCC4)cc3)cn2)c1 ZINC000048710719 132429411 /nfs/dbraw/zinc/42/94/11/132429411.db2.gz VMWCFDXFPKCVIR-UHFFFAOYSA-N 0 3 349.438 2.394 10 10 EECEHN COc1cccc(CNCc2cnc(N3CCOCC3)c(F)c2)c1O ZINC000185071129 463746025 /nfs/dbraw/zinc/74/60/25/463746025.db2.gz WJILKJAKDWDSCM-UHFFFAOYSA-N 0 3 347.390 2.061 10 10 EECEHN COc1cc(O)c(CN2CC=C(c3ccnn3C)CC2)cc1OC ZINC000285041103 464435077 /nfs/dbraw/zinc/43/50/77/464435077.db2.gz JCEDESFNNCYYML-UHFFFAOYSA-N 0 3 329.400 2.432 10 10 EECEHN COC(=O)/C=C/c1ccc(N2CC[C@H]3CC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC000266714524 464797234 /nfs/dbraw/zinc/79/72/34/464797234.db2.gz JXQMWXJXTLXALG-JGNQBTRVSA-N 0 3 345.399 2.454 10 10 EECEHN NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769429313 577577831 /nfs/dbraw/zinc/57/78/31/577577831.db2.gz XSFYOBIAKQRGJZ-KRWDZBQOSA-N 0 3 346.452 2.312 10 10 EECEHN NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769429313 577577832 /nfs/dbraw/zinc/57/78/32/577577832.db2.gz XSFYOBIAKQRGJZ-KRWDZBQOSA-N 0 3 346.452 2.312 10 10 EECEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c([O-])c1 ZINC000757657809 577862030 /nfs/dbraw/zinc/86/20/30/577862030.db2.gz QZIGTHWNGOGTNR-GOEBONIOSA-N 0 3 342.443 2.276 10 10 EECEHN COC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848536516 1186196890 /nfs/dbraw/zinc/19/68/90/1186196890.db2.gz QUDAUJGDRCWWCC-MWLCHTKSSA-N 0 3 348.237 2.211 10 10 EECEHN CN(CC(=O)NCc1cc(Br)ccc1O)C1CCC1 ZINC000863915876 1197922561 /nfs/dbraw/zinc/92/25/61/1197922561.db2.gz LCQCTJSBZORRFI-UHFFFAOYSA-N 0 3 327.222 2.255 10 10 EECEHN CCOc1cccc(CN[C@H]2CON(C(=O)OC(C)(C)C)C2)c1O ZINC000722488657 1230173757 /nfs/dbraw/zinc/17/37/57/1230173757.db2.gz CYNPQCSMSAONHM-CYBMUJFWSA-N 0 3 338.404 2.431 10 10 EECEHN COc1cc(Cl)cc(CN[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000827164891 1250319220 /nfs/dbraw/zinc/31/92/20/1250319220.db2.gz RUTRXYFAFSUBBG-BXKDBHETSA-N 0 3 333.837 2.110 10 10 EECEHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1[O-] ZINC000827164891 1250319229 /nfs/dbraw/zinc/31/92/29/1250319229.db2.gz RUTRXYFAFSUBBG-BXKDBHETSA-N 0 3 333.837 2.110 10 10 EECEHN COc1cccc([C@@H](C)NCCS(=O)(=O)CC(F)(F)F)c1O ZINC000850518026 1277256250 /nfs/dbraw/zinc/25/62/50/1277256250.db2.gz IQTFMMGEWFEKJY-SECBINFHSA-N 0 3 341.351 2.029 10 10 EECEHN O=C(NCc1ccccc1O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000850758831 1277331201 /nfs/dbraw/zinc/33/12/01/1277331201.db2.gz JMXAFMJFZRJWAU-KRWDZBQOSA-N 0 3 327.384 2.375 10 10 EECEHN CN1CCC[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000919657381 770159753 /nfs/dbraw/zinc/15/97/53/770159753.db2.gz JPHJLPOYKUQOEU-IAGOWNOFSA-N 0 3 347.459 2.177 10 10 EECEHN OCC1CCN(c2ccc(CNCc3cnn(CCF)c3)cc2)CC1 ZINC000921583404 789802356 /nfs/dbraw/zinc/80/23/56/789802356.db2.gz OPLXATPOCDPXEO-UHFFFAOYSA-N 0 3 346.450 2.351 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3c[nH]nc3C)CC2)cc1C ZINC001499306411 1112227670 /nfs/dbraw/zinc/22/76/70/1112227670.db2.gz VWOBUFKQYVMWCK-UHFFFAOYSA-N 0 3 328.416 2.087 10 10 EECEHN CCOCCN1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001567928547 1124186333 /nfs/dbraw/zinc/18/63/33/1124186333.db2.gz KSKZWKWOGRTFAG-OAHLLOKOSA-N 0 3 347.419 2.032 10 10 EECEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000185552530 463843290 /nfs/dbraw/zinc/84/32/90/463843290.db2.gz WAWUJRSNXKZLQH-KBPBESRZSA-N 0 3 330.432 2.454 10 10 EECEHN CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Cl)cc(OC)c3[O-])[C@H]2C1 ZINC000293669076 464417178 /nfs/dbraw/zinc/41/71/78/464417178.db2.gz OQXMTKYKELFORC-LSDHHAIUSA-N 0 3 340.851 2.349 10 10 EECEHN CC[N@H+]1CC[C@H]2OCCN(Cc3cc(Cl)cc(OC)c3[O-])[C@H]2C1 ZINC000293669076 464417184 /nfs/dbraw/zinc/41/71/84/464417184.db2.gz OQXMTKYKELFORC-LSDHHAIUSA-N 0 3 340.851 2.349 10 10 EECEHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C)CC[C@H]1C)cc2=O ZINC000245454485 464484095 /nfs/dbraw/zinc/48/40/95/464484095.db2.gz SAWBIPMSOBYMCG-NWDGAFQWSA-N 0 3 332.404 2.232 10 10 EECEHN COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000777219800 577475214 /nfs/dbraw/zinc/47/52/14/577475214.db2.gz NLXJRIXCLKZVHR-LSDHHAIUSA-N 0 3 329.824 2.264 10 10 EECEHN O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1=COCC1 ZINC000769122228 577570313 /nfs/dbraw/zinc/57/03/13/577570313.db2.gz OMRXPZCLLSSMQE-UHFFFAOYSA-N 0 3 341.455 2.139 10 10 EECEHN CN1CCN(c2ccc(CN[C@H](CO)c3ccsc3)cc2)CC1 ZINC000769931694 577587335 /nfs/dbraw/zinc/58/73/35/577587335.db2.gz BJJHWSUJPATYTB-GOSISDBHSA-N 0 3 331.485 2.323 10 10 EECEHN COc1ccc(N2CCN(C(=O)CN3CC[C@H](C(C)C)C3)CC2)cc1 ZINC000755996933 577835974 /nfs/dbraw/zinc/83/59/74/577835974.db2.gz RDYKIBMLLNMQBF-KRWDZBQOSA-N 0 3 345.487 2.322 10 10 EECEHN COC(=O)c1c(CN(C)C[C@@H](O)C2CC2)c2cc(F)ccc2n1C ZINC000894776660 683083709 /nfs/dbraw/zinc/08/37/09/683083709.db2.gz JDGLGHUWXYSBGL-MRXNPFEDSA-N 0 3 334.391 2.307 10 10 EECEHN COc1ccc(O)c([C@@H](C)NCc2n[nH]c(C3CCOCC3)n2)c1 ZINC000866441723 1201518848 /nfs/dbraw/zinc/51/88/48/1201518848.db2.gz SEDMBHIYQAPPAW-LLVKDONJSA-N 0 3 332.404 2.264 10 10 EECEHN CNC(=O)C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000795600993 1214392043 /nfs/dbraw/zinc/39/20/43/1214392043.db2.gz IJTVLCMOJYKFNY-CQSZACIVSA-N 0 3 328.368 2.088 10 10 EECEHN COc1ccc(CN[C@@]2(CO)CCCN(C(=O)CC3CC3)C2)cc1C ZINC001273848001 1286752054 /nfs/dbraw/zinc/75/20/54/1286752054.db2.gz FLYGEWAPAROMDO-FQEVSTJZSA-N 0 3 346.471 2.247 10 10 EECEHN C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccccc1[O-] ZINC000858565348 1294155930 /nfs/dbraw/zinc/15/59/30/1294155930.db2.gz MXMDREHKPHYKTN-NVXWUHKLSA-N 0 3 327.428 2.339 10 10 EECEHN NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](NC/C=C\Cl)C2)cc1 ZINC001265461634 1323168059 /nfs/dbraw/zinc/16/80/59/1323168059.db2.gz UXRAJQZFLXDDKM-RFECADTPSA-N 0 3 335.795 2.406 10 10 EECEHN COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848531368 1338715446 /nfs/dbraw/zinc/71/54/46/1338715446.db2.gz QHWDZGWRKSQICI-LKFCYVNXSA-N 0 3 348.237 2.211 10 10 EECEHN COc1ccc(N(C)CCN(C)C[C@H](O)c2ccc(F)cn2)cc1 ZINC000844400959 789066720 /nfs/dbraw/zinc/06/67/20/789066720.db2.gz GSMHEFGWQYGUGK-SFHVURJKSA-N 0 3 333.407 2.331 10 10 EECEHN COc1ccc(N2CCC(NC(=O)N[C@H]3CCN(C)[C@H]3C)CC2)cc1 ZINC000916226002 797557166 /nfs/dbraw/zinc/55/71/66/797557166.db2.gz MOGGFPQDPXJKLG-KSSFIOAISA-N 0 3 346.475 2.056 10 10 EECEHN c1cc(N2CCOCC2)ccc1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000091856006 462910896 /nfs/dbraw/zinc/91/08/96/462910896.db2.gz NZIOENMMUXNXIY-ZWKOTPCHSA-N 0 3 334.485 2.230 10 10 EECEHN Cc1nn(C)c(C)c1CN1CCN(Cc2cc(C)ccc2O)CC1 ZINC000121461270 463139841 /nfs/dbraw/zinc/13/98/41/463139841.db2.gz YMVHUEGFIKTMBH-UHFFFAOYSA-N 0 3 328.460 2.369 10 10 EECEHN C[C@]1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)COc2ccccc2O1 ZINC000527734522 467664442 /nfs/dbraw/zinc/66/44/42/467664442.db2.gz KBPTWZVYLIOSRI-SFHVURJKSA-N 0 3 329.352 2.441 10 10 EECEHN S=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)NC1CC1 ZINC000768295358 577553337 /nfs/dbraw/zinc/55/33/37/577553337.db2.gz HXUDPRNYWMWLOT-UHFFFAOYSA-N 0 3 344.528 2.345 10 10 EECEHN CO[C@H](C)CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000741054411 578112344 /nfs/dbraw/zinc/11/23/44/578112344.db2.gz NFRQYNUFIDPYDX-MRXNPFEDSA-N 0 3 335.492 2.456 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCC2(COC2)O1)C[C@@H]1CCCO1 ZINC000929973192 1206523737 /nfs/dbraw/zinc/52/37/37/1206523737.db2.gz XYRSXFJVHSVSJK-DLBZAZTESA-N 0 3 333.428 2.321 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@H]1CCC2(COC2)O1)C[C@@H]1CCCO1 ZINC000929973192 1206523739 /nfs/dbraw/zinc/52/37/39/1206523739.db2.gz XYRSXFJVHSVSJK-DLBZAZTESA-N 0 3 333.428 2.321 10 10 EECEHN COc1cc(Cl)cc(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000827164893 1250320653 /nfs/dbraw/zinc/32/06/53/1250320653.db2.gz RUTRXYFAFSUBBG-JOYOIKCWSA-N 0 3 333.837 2.110 10 10 EECEHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)c1[O-] ZINC000827164893 1250320663 /nfs/dbraw/zinc/32/06/63/1250320663.db2.gz RUTRXYFAFSUBBG-JOYOIKCWSA-N 0 3 333.837 2.110 10 10 EECEHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000850396647 1277214748 /nfs/dbraw/zinc/21/47/48/1277214748.db2.gz ZPODCUZLYCKKDW-QZTJIDSGSA-N 0 3 332.444 2.134 10 10 EECEHN COc1ccc(CNC2(CNC(=O)C3CCC(O)CC3)CC2)cc1C ZINC001483730769 1277915475 /nfs/dbraw/zinc/91/54/75/1277915475.db2.gz XFPPYTYOAXXBNU-UHFFFAOYSA-N 0 3 346.471 2.293 10 10 EECEHN CC[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(C)cc1[O-] ZINC000858465377 1294124601 /nfs/dbraw/zinc/12/46/01/1294124601.db2.gz FBRHPPFAUZTREJ-XLIONFOSSA-N 0 3 348.487 2.357 10 10 EECEHN O=S1(=O)C[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)Oc2ccccc21 ZINC000842883528 1315791391 /nfs/dbraw/zinc/79/13/91/1315791391.db2.gz KAAGOMZEJOQGJW-UONOGXRCSA-N 0 3 345.420 2.204 10 10 EECEHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1[O-] ZINC000824655444 788258406 /nfs/dbraw/zinc/25/84/06/788258406.db2.gz WJMQWEOUYRGYFI-NILFDRSVSA-N 0 3 341.835 2.416 10 10 EECEHN COc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1[O-] ZINC000824655444 788258409 /nfs/dbraw/zinc/25/84/09/788258409.db2.gz WJMQWEOUYRGYFI-NILFDRSVSA-N 0 3 341.835 2.416 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)[C@H](C)C2CCC2)cc1C ZINC001507207239 1115151739 /nfs/dbraw/zinc/15/17/39/1115151739.db2.gz SZPWIZLKFWGFAO-PBHICJAKSA-N 0 3 334.460 2.007 10 10 EECEHN Cc1ccc(CC(=O)NCc2ccc(N3CCNCC3)c(F)c2)cc1 ZINC000095970944 463119450 /nfs/dbraw/zinc/11/94/50/463119450.db2.gz QIFMUFJDMPVFQC-UHFFFAOYSA-N 0 3 341.430 2.403 10 10 EECEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000246014255 464534664 /nfs/dbraw/zinc/53/46/64/464534664.db2.gz ZBIUAWSJNQONGS-HLLBOEOZSA-N 0 3 334.460 2.474 10 10 EECEHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000246014255 464534670 /nfs/dbraw/zinc/53/46/70/464534670.db2.gz ZBIUAWSJNQONGS-HLLBOEOZSA-N 0 3 334.460 2.474 10 10 EECEHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](CNc3ccccn3)C1)OCO2 ZINC000092812866 534449212 /nfs/dbraw/zinc/44/92/12/534449212.db2.gz NKZVMSHQENMDIK-CYBMUJFWSA-N 0 3 327.384 2.450 10 10 EECEHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](CNc3ccccn3)C1)OCO2 ZINC000092812866 534449219 /nfs/dbraw/zinc/44/92/19/534449219.db2.gz NKZVMSHQENMDIK-CYBMUJFWSA-N 0 3 327.384 2.450 10 10 EECEHN CC(C)OCC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000768532805 577557975 /nfs/dbraw/zinc/55/79/75/577557975.db2.gz HSGKQHCXKWCEOU-UHFFFAOYSA-N 0 3 345.487 2.260 10 10 EECEHN CSCC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000768544074 577558236 /nfs/dbraw/zinc/55/82/36/577558236.db2.gz OPIJEUKSJIISTC-UHFFFAOYSA-N 0 3 333.501 2.198 10 10 EECEHN c1n[nH]cc1CNCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000768671305 577560622 /nfs/dbraw/zinc/56/06/22/577560622.db2.gz ZAHYQYMAOVLPFF-UHFFFAOYSA-N 0 3 325.460 2.232 10 10 EECEHN Cc1ccnc(C2CC[NH+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)n1 ZINC000758244466 577619897 /nfs/dbraw/zinc/61/98/97/577619897.db2.gz DELSVQIVBNUESM-KRWDZBQOSA-N 0 3 341.411 2.296 10 10 EECEHN COC[C@](C)(CCO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000175854503 676091153 /nfs/dbraw/zinc/09/11/53/676091153.db2.gz NIZANQNGWFJMJY-AWEZNQCLSA-N 0 3 348.237 2.040 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@H](C)CO3)CC2)cc1C ZINC001269455790 1184280129 /nfs/dbraw/zinc/28/01/29/1184280129.db2.gz LPPWPOYECLIAMA-GUYCJALGSA-N 0 3 332.444 2.167 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001483063153 1188379744 /nfs/dbraw/zinc/37/97/44/1188379744.db2.gz TVGVKOURVASKTG-PSXMBLMMSA-N 0 3 344.455 2.333 10 10 EECEHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C1COCCOC1 ZINC000814172572 1199325001 /nfs/dbraw/zinc/32/50/01/1199325001.db2.gz SZGGGNROJQXKIA-UHFFFAOYSA-N 0 3 329.396 2.476 10 10 EECEHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)[C@@H](O)C1 ZINC000866494981 1201531575 /nfs/dbraw/zinc/53/15/75/1201531575.db2.gz KRJBHOUHHQUEAV-DZKIICNBSA-N 0 3 348.443 2.339 10 10 EECEHN C[C@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000925791304 1206154383 /nfs/dbraw/zinc/15/43/83/1206154383.db2.gz LYMGFSKDUUYGNM-AAEUAGOBSA-N 0 3 326.387 2.480 10 10 EECEHN C[C@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000925791304 1206154387 /nfs/dbraw/zinc/15/43/87/1206154387.db2.gz LYMGFSKDUUYGNM-AAEUAGOBSA-N 0 3 326.387 2.480 10 10 EECEHN COc1ccc(O)c([C@H](C)NCC(=O)N2C[C@H](C)OC(C)(C)C2)c1 ZINC000930217697 1206542335 /nfs/dbraw/zinc/54/23/35/1206542335.db2.gz ZIRZCJLQNZSAKM-STQMWFEESA-N 0 3 336.432 2.077 10 10 EECEHN C[C@@H]([NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1[O-] ZINC001659815212 1354387258 /nfs/dbraw/zinc/38/72/58/1354387258.db2.gz BOTQTNCLBJXRPL-SNVBAGLBSA-N 0 3 326.356 2.263 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)Cc2cccnc2)cc1C ZINC001668780883 1356004851 /nfs/dbraw/zinc/00/48/51/1356004851.db2.gz WXUDLCYSMHRVRF-ONEGZZNKSA-N 0 3 339.439 2.403 10 10 EECEHN CN(C)CCn1nccc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000908442823 785417070 /nfs/dbraw/zinc/41/70/70/785417070.db2.gz SFSKXHHYJNQCIH-UHFFFAOYSA-N 0 3 346.412 2.323 10 10 EECEHN COc1cccc([O-])c1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000824516525 788198846 /nfs/dbraw/zinc/19/88/46/788198846.db2.gz MHHQLFJDKVDQBN-LBPRGKRZSA-N 0 3 333.409 2.062 10 10 EECEHN COc1ccnc(NC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)n1 ZINC000191689423 237267052 /nfs/dbraw/zinc/26/70/52/237267052.db2.gz DRXRMKQUDQILOO-UHFFFAOYSA-N 0 3 332.379 2.406 10 10 EECEHN CCOc1cccc(CN2CCCN(c3cccnn3)CC2)c1O ZINC000093150277 276379662 /nfs/dbraw/zinc/37/96/62/276379662.db2.gz SQNOXFPZWSWFGG-UHFFFAOYSA-N 0 3 328.416 2.293 10 10 EECEHN CCOc1ccc(O)c(CN2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000121592279 463164619 /nfs/dbraw/zinc/16/46/19/463164619.db2.gz FHFAXCVSZOJDBS-UHFFFAOYSA-N 0 3 344.459 2.232 10 10 EECEHN CCn1cc(CN2CCCN(Cc3cccc(OC)c3O)CC2)cn1 ZINC000121638102 463171145 /nfs/dbraw/zinc/17/11/45/463171145.db2.gz KVJZUOFDRDBCNZ-UHFFFAOYSA-N 0 3 344.459 2.325 10 10 EECEHN Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2=O)n(C)n1 ZINC000186328208 463977788 /nfs/dbraw/zinc/97/77/88/463977788.db2.gz NDMYGPAHBWEDSC-WFASDCNBSA-N 0 3 346.406 2.419 10 10 EECEHN Cc1cc(Cl)cc(CN2CCC[C@@H](n3cc(CO)nn3)C2)c1O ZINC000293541905 464410551 /nfs/dbraw/zinc/41/05/51/464410551.db2.gz CWSLJPGLAJHWGM-OAHLLOKOSA-N 0 3 336.823 2.275 10 10 EECEHN C[C@@H](NCC1(C)OCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000190642896 464693840 /nfs/dbraw/zinc/69/38/40/464693840.db2.gz CMNXTJWRSAYETM-CQSZACIVSA-N 0 3 338.423 2.466 10 10 EECEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1O ZINC000299462621 465757133 /nfs/dbraw/zinc/75/71/33/465757133.db2.gz AFBWRARTTDOMJC-QGZVFWFLSA-N 0 3 327.428 2.364 10 10 EECEHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000767742989 577544028 /nfs/dbraw/zinc/54/40/28/577544028.db2.gz XVYFBCDSCICCIX-CQSZACIVSA-N 0 3 330.432 2.201 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@@H](C)CO3)CC2)cc1C ZINC001269455643 1184279719 /nfs/dbraw/zinc/27/97/19/1184279719.db2.gz LPPWPOYECLIAMA-DYVFJYSZSA-N 0 3 332.444 2.167 10 10 EECEHN CC(C)N(CCN(C)C[C@H](C)O)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486380497 1193891968 /nfs/dbraw/zinc/89/19/68/1193891968.db2.gz IYSUCPSYNVOJAN-ZDUSSCGKSA-N 0 3 349.435 2.012 10 10 EECEHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)c1[O-] ZINC000866571230 1201550592 /nfs/dbraw/zinc/55/05/92/1201550592.db2.gz BCASPFMZLLUORF-SNVBAGLBSA-N 0 3 334.869 2.319 10 10 EECEHN Cc1cc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccn1 ZINC000858104292 1294007331 /nfs/dbraw/zinc/00/73/31/1294007331.db2.gz FSENMVPFBYAYNJ-GOSISDBHSA-N 0 3 338.455 2.382 10 10 EECEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1[O-] ZINC000858494569 1294133891 /nfs/dbraw/zinc/13/38/91/1294133891.db2.gz KXQMXNQHMINELD-NQMVMOMDSA-N 0 3 343.221 2.078 10 10 EECEHN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)cc1 ZINC001157007204 1318344107 /nfs/dbraw/zinc/34/41/07/1318344107.db2.gz UJZBFGSNEPICKA-KRWDZBQOSA-N 0 3 339.439 2.297 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)C[C@@H]2C=CCCC2)cc1C ZINC001331738789 1335065083 /nfs/dbraw/zinc/06/50/83/1335065083.db2.gz IZARDDTWJRXTLG-AEFFLSMTSA-N 0 3 346.471 2.317 10 10 EECEHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCOCCO)c1[O-] ZINC000848543506 1338718247 /nfs/dbraw/zinc/71/82/47/1338718247.db2.gz GNQRKEOQBUMLIY-SNVBAGLBSA-N 0 3 348.237 2.213 10 10 EECEHN CN(C)C1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCCC1 ZINC001542302367 1124112152 /nfs/dbraw/zinc/11/21/52/1124112152.db2.gz QDPFKBFTSFOCIT-UHFFFAOYSA-N 0 3 331.460 2.014 10 10 EECEHN CCOc1ccc([O-])c(C[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000092811357 237043190 /nfs/dbraw/zinc/04/31/90/237043190.db2.gz KEKPQCROYASYGF-UHFFFAOYSA-N 0 3 345.443 2.359 10 10 EECEHN c1cnn(-c2cc(CNCc3ccc(N4CCOCC4)cc3)ccn2)c1 ZINC000058245526 463558943 /nfs/dbraw/zinc/55/89/43/463558943.db2.gz IIGHEJAHXGHRHR-UHFFFAOYSA-N 0 3 349.438 2.394 10 10 EECEHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1[O-] ZINC000187321814 464116749 /nfs/dbraw/zinc/11/67/49/464116749.db2.gz DXEZGFPZGMJQAI-WCQYABFASA-N 0 3 343.265 2.444 10 10 EECEHN C[C@H](NCC1(C)OCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000190642877 464694464 /nfs/dbraw/zinc/69/44/64/464694464.db2.gz CMNXTJWRSAYETM-AWEZNQCLSA-N 0 3 338.423 2.466 10 10 EECEHN CCOc1ccc(O)c(CNCc2cccc(N3CCOCC3)n2)c1 ZINC000274758064 464753784 /nfs/dbraw/zinc/75/37/84/464753784.db2.gz GKXKGDPYLJUMRJ-UHFFFAOYSA-N 0 3 343.427 2.312 10 10 EECEHN C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccc(N(C)C)cc1 ZINC000776237568 577455459 /nfs/dbraw/zinc/45/54/59/577455459.db2.gz HHJJETFBVQDWIA-YJBOKZPZSA-N 0 3 328.460 2.469 10 10 EECEHN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000745828165 577919184 /nfs/dbraw/zinc/91/91/84/577919184.db2.gz PFURWRKDWQEZIB-GOSISDBHSA-N 0 3 328.460 2.217 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@H]3CCOC[C@@H]3C)CC2)cc1C ZINC001269485032 1184304411 /nfs/dbraw/zinc/30/44/11/1184304411.db2.gz XQMZKIZZIJEHCA-RDJZCZTQSA-N 0 3 346.471 2.415 10 10 EECEHN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1ccccc1[O-])CO2 ZINC000827066522 1249734774 /nfs/dbraw/zinc/73/47/74/1249734774.db2.gz SHYABUGSYACNLB-CQSZACIVSA-N 0 3 334.416 2.260 10 10 EECEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c([O-])c1 ZINC000858488641 1294132060 /nfs/dbraw/zinc/13/20/60/1294132060.db2.gz JHNDMPGZYJNZJN-UONOGXRCSA-N 0 3 338.415 2.068 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3ncoc3C)CC2)cc1C ZINC001277013128 1300860851 /nfs/dbraw/zinc/86/08/51/1300860851.db2.gz CRAILKNAIUAKQH-UHFFFAOYSA-N 0 3 329.400 2.352 10 10 EECEHN O=C(Cc1ccc(O)c(O)c1)N1CCCN(Cc2ccccc2)CC1 ZINC001624660920 1352427207 /nfs/dbraw/zinc/42/72/07/1352427207.db2.gz RRXQVLXMKZULFR-UHFFFAOYSA-N 0 3 340.423 2.375 10 10 EECEHN CN(Cc1cccs1)c1ccc(CN2C[C@H](O)C[C@H](O)C2)cc1 ZINC000823484684 787774968 /nfs/dbraw/zinc/77/49/68/787774968.db2.gz ZTAYSMMSMSIEQI-CALCHBBNSA-N 0 3 332.469 2.312 10 10 EECEHN CN(C)c1ccnc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000922481733 801127861 /nfs/dbraw/zinc/12/78/61/801127861.db2.gz WEUKHEJFYOUSCR-UHFFFAOYSA-N 0 3 326.444 2.274 10 10 EECEHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c([O-])c1 ZINC000527956662 317293323 /nfs/dbraw/zinc/29/33/23/317293323.db2.gz QXYMCDTZECZMEE-OXJNMPFZSA-N 0 3 348.487 2.275 10 10 EECEHN CCC[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)N(C)C ZINC000136792539 463257962 /nfs/dbraw/zinc/25/79/62/463257962.db2.gz NMNPKAFPRWNOLF-KRWDZBQOSA-N 0 3 337.439 2.009 10 10 EECEHN Oc1cc2c(cc1CN1CCCN(c3ccccn3)CC1)OCO2 ZINC000185687078 463860918 /nfs/dbraw/zinc/86/09/18/463860918.db2.gz CBCWKYJADIUPBG-UHFFFAOYSA-N 0 3 327.384 2.228 10 10 EECEHN Cc1nc(C[C@@H]2CCCN(Cc3cc4c(cc3O)OCO4)C2)no1 ZINC000103135103 534411202 /nfs/dbraw/zinc/41/12/02/534411202.db2.gz FIEAJZSHWFEVRL-LBPRGKRZSA-N 0 3 331.372 2.267 10 10 EECEHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000775368792 577436062 /nfs/dbraw/zinc/43/60/62/577436062.db2.gz FYWFBTCAMSIHAV-NSHDSACASA-N 0 3 344.367 2.419 10 10 EECEHN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccccc1[O-] ZINC000866492105 1201530392 /nfs/dbraw/zinc/53/03/92/1201530392.db2.gz DITXOLRVKIIOHJ-NOLJZWGESA-N 0 3 336.432 2.413 10 10 EECEHN CC(C)(C)OC(=O)NC1CCN(CC[NH2+]Cc2ccccc2[O-])CC1 ZINC000721984103 1229921757 /nfs/dbraw/zinc/92/17/57/1229921757.db2.gz DQUKQYAMMIEXIQ-UHFFFAOYSA-N 0 3 349.475 2.471 10 10 EECEHN COc1ccc(CN[C@]2(CO)CCCN(C(=O)CC3CC3)C2)cc1C ZINC001273848005 1286751881 /nfs/dbraw/zinc/75/18/81/1286751881.db2.gz FLYGEWAPAROMDO-HXUWFJFHSA-N 0 3 346.471 2.247 10 10 EECEHN CN(C)c1cc(F)c(CNCC(C)(C)[C@]2(O)CCOC2)cc1F ZINC000858182053 1294036073 /nfs/dbraw/zinc/03/60/73/1294036073.db2.gz GCXYWUIXSPDNIB-KRWDZBQOSA-N 0 3 328.403 2.298 10 10 EECEHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(S(N)(=O)=O)cc1 ZINC000319711619 776076348 /nfs/dbraw/zinc/07/63/48/776076348.db2.gz OFXKXJCISXXTMJ-LBPRGKRZSA-N 0 3 332.425 2.120 10 10 EECEHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000824655440 788258472 /nfs/dbraw/zinc/25/84/72/788258472.db2.gz WJMQWEOUYRGYFI-KCPJHIHWSA-N 0 3 341.835 2.416 10 10 EECEHN COc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000824655440 788258473 /nfs/dbraw/zinc/25/84/73/788258473.db2.gz WJMQWEOUYRGYFI-KCPJHIHWSA-N 0 3 341.835 2.416 10 10 EECEHN CCOCc1cc(CN[C@@H]2CCc3nc(CC)nn3C2)ccc1OC ZINC000069745063 463318461 /nfs/dbraw/zinc/31/84/61/463318461.db2.gz JBEWGYLMKFVZIL-MRXNPFEDSA-N 0 3 344.459 2.490 10 10 EECEHN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173992961 464346104 /nfs/dbraw/zinc/34/61/04/464346104.db2.gz WAVVUFJDQLCOBL-LJQANCHMSA-N 0 3 340.471 2.443 10 10 EECEHN COc1cc(Cl)cc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1[O-] ZINC000184701717 465019885 /nfs/dbraw/zinc/01/98/85/465019885.db2.gz HCMQCCPVWMIDJP-WFASDCNBSA-N 0 3 340.851 2.207 10 10 EECEHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1[O-] ZINC000184701717 465019889 /nfs/dbraw/zinc/01/98/89/465019889.db2.gz HCMQCCPVWMIDJP-WFASDCNBSA-N 0 3 340.851 2.207 10 10 EECEHN COC(=O)/C=C/c1ccc(N(C)[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000733190546 577212268 /nfs/dbraw/zinc/21/22/68/577212268.db2.gz GVFCMZSFZNVYKM-SGJXGLNRSA-N 0 3 345.399 2.454 10 10 EECEHN C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cc(F)ccc1[O-] ZINC000757655812 577861970 /nfs/dbraw/zinc/86/19/70/577861970.db2.gz LBOCACOYLKVTTQ-WFASDCNBSA-N 0 3 346.406 2.107 10 10 EECEHN COc1ccc(N2CCN(C(=O)CN3C[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000743874278 577890950 /nfs/dbraw/zinc/89/09/50/577890950.db2.gz YWQKLQZXPOCZLS-IAGOWNOFSA-N 0 3 345.487 2.464 10 10 EECEHN CN(C)c1ccc(/C=C\CN2CCC(N3CN=NC3=O)CC2)cc1 ZINC000894611261 682994365 /nfs/dbraw/zinc/99/43/65/682994365.db2.gz MWULIBSCAVTHLL-ARJAWSKDSA-N 0 3 327.432 2.400 10 10 EECEHN Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c1[O-] ZINC000895689530 684683191 /nfs/dbraw/zinc/68/31/91/684683191.db2.gz XSAGBMUUALZJFK-HAQNSBGRSA-N 0 3 348.262 2.128 10 10 EECEHN CCCOc1ccc(CN[C@H]2C(=O)NCC23CCOCC3)cc1C ZINC000895763505 684715244 /nfs/dbraw/zinc/71/52/44/684715244.db2.gz CZBSCUXFGUOYJC-KRWDZBQOSA-N 0 3 332.444 2.169 10 10 EECEHN COc1cc(CN2CCN(CCO)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000825568467 1198305281 /nfs/dbraw/zinc/30/52/81/1198305281.db2.gz YNGVHDVMNYYZLZ-AWEZNQCLSA-N 0 3 336.476 2.197 10 10 EECEHN COc1cc(CNC2CN(c3ccncn3)C2)c(O)c(C(C)(C)C)c1 ZINC000865746206 1198357234 /nfs/dbraw/zinc/35/72/34/1198357234.db2.gz FKXDXFGJKYBISS-UHFFFAOYSA-N 0 3 342.443 2.467 10 10 EECEHN OC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1C(F)(F)F ZINC000877693241 1200034918 /nfs/dbraw/zinc/03/49/18/1200034918.db2.gz PTADZZYULXLDMM-GOEBONIOSA-N 0 3 344.377 2.126 10 10 EECEHN C[C@@H](NC(=O)C1(N)CC2(CCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000851631245 1277692636 /nfs/dbraw/zinc/69/26/36/1277692636.db2.gz YWTYKRHXEHBTKB-OAHLLOKOSA-N 0 3 343.471 2.362 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)c2ccc(C)s2)cc1C ZINC001278040819 1305767868 /nfs/dbraw/zinc/76/78/68/1305767868.db2.gz FBFFCNPCKVZLLL-OAHLLOKOSA-N 0 3 348.468 2.254 10 10 EECEHN CCN(OC)C(=O)CNCc1ccc(OCc2ccccc2)cc1O ZINC000843430401 1315914336 /nfs/dbraw/zinc/91/43/36/1315914336.db2.gz LOZDXDWMZAGHHY-UHFFFAOYSA-N 0 3 344.411 2.471 10 10 EECEHN CN(C)CCN(CCc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001291709173 1328318923 /nfs/dbraw/zinc/31/89/23/1328318923.db2.gz GPMRKGFSFNCVDP-UHFFFAOYSA-N 0 3 342.439 2.273 10 10 EECEHN COc1ccc(N2CC[C@H](NC(=O)[C@H](N)C3CCCCC3)C2)cc1 ZINC001329937895 1334744735 /nfs/dbraw/zinc/74/47/35/1334744735.db2.gz PSAJTQUKUKEAHI-MAUKXSAKSA-N 0 3 331.460 2.298 10 10 EECEHN COc1ccc([C@@H](CN(C)C)NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001449327732 1094279259 /nfs/dbraw/zinc/27/92/59/1094279259.db2.gz CITRVSLJLZTIPI-MRXNPFEDSA-N 0 3 344.411 2.068 10 10 EECEHN CCOCCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001479730107 1098827655 /nfs/dbraw/zinc/82/76/55/1098827655.db2.gz VGTMUQSUDKURKK-DOMZBBRYSA-N 0 3 347.419 2.078 10 10 EECEHN c1cn(-c2ccc(CNCc3ccc(N4CCOCC4)cc3)cn2)cn1 ZINC000048364065 462901583 /nfs/dbraw/zinc/90/15/83/462901583.db2.gz KLUFQVXEOZWJKB-UHFFFAOYSA-N 0 3 349.438 2.394 10 10 EECEHN CC[C@@H](CO)N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093739665 463046340 /nfs/dbraw/zinc/04/63/40/463046340.db2.gz ZWJMGXOZXVDEKG-AWEZNQCLSA-N 0 3 343.265 2.043 10 10 EECEHN CN(C)C(=O)CCN1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000268329264 463707718 /nfs/dbraw/zinc/70/77/18/463707718.db2.gz ANJYRXFRKNOJNZ-UHFFFAOYSA-N 0 3 341.455 2.141 10 10 EECEHN CCn1cc(CN2CCC[N@H+](Cc3cc(F)ccc3[O-])CC2)cn1 ZINC000180111890 464244938 /nfs/dbraw/zinc/24/49/38/464244938.db2.gz QOPDYCHSSAOMKY-UHFFFAOYSA-N 0 3 332.423 2.456 10 10 EECEHN CCn1cc(CN2CCC[N@@H+](Cc3cc(F)ccc3[O-])CC2)cn1 ZINC000180111890 464244939 /nfs/dbraw/zinc/24/49/39/464244939.db2.gz QOPDYCHSSAOMKY-UHFFFAOYSA-N 0 3 332.423 2.456 10 10 EECEHN O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000777568026 577481865 /nfs/dbraw/zinc/48/18/65/577481865.db2.gz WGHBSFKTVGCQCX-CYBMUJFWSA-N 0 3 342.361 2.381 10 10 EECEHN O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000777568026 577481866 /nfs/dbraw/zinc/48/18/66/577481866.db2.gz WGHBSFKTVGCQCX-CYBMUJFWSA-N 0 3 342.361 2.381 10 10 EECEHN COc1cc(Cl)cc(C[NH2+]CCC2CCS(=O)(=O)CC2)c1[O-] ZINC000761215289 577679422 /nfs/dbraw/zinc/67/94/22/577679422.db2.gz JFJJPKAEHCJUMG-UHFFFAOYSA-N 0 3 347.864 2.359 10 10 EECEHN C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cc(F)ccc1[O-] ZINC000757655802 577861896 /nfs/dbraw/zinc/86/18/96/577861896.db2.gz LBOCACOYLKVTTQ-IUODEOHRSA-N 0 3 346.406 2.107 10 10 EECEHN CN(C)c1ccc(CNC(=O)CN2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000749564964 577978198 /nfs/dbraw/zinc/97/81/98/577978198.db2.gz ZXWNTXUKYADBGH-ROUUACIJSA-N 0 3 345.487 2.117 10 10 EECEHN COC(=O)c1c(CN2C[C@@H]3COC[C@@H]3C2)c2cc(F)ccc2n1C ZINC000895471468 684616396 /nfs/dbraw/zinc/61/63/96/684616396.db2.gz WQFDVMHZSGVBMQ-TXEJJXNPSA-N 0 3 332.375 2.182 10 10 EECEHN CN(C)C1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC001626154406 1225600409 /nfs/dbraw/zinc/60/04/09/1225600409.db2.gz LQCPBCXYWGFUJZ-UHFFFAOYSA-N 0 3 349.450 2.153 10 10 EECEHN Cc1ccc(O)c(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856534727 1293560149 /nfs/dbraw/zinc/56/01/49/1293560149.db2.gz ZSJWZUOSOHMETK-DLBZAZTESA-N 0 3 325.412 2.051 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2ncoc2C)cc1C ZINC001320987288 1332992541 /nfs/dbraw/zinc/99/25/41/1332992541.db2.gz YNGFUVYBDYMWIT-SNAWJCMRSA-N 0 3 329.400 2.376 10 10 EECEHN O[C@@H]1C[C@H](O)CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809593361 783237702 /nfs/dbraw/zinc/23/77/02/783237702.db2.gz VOVAVUDDDTWYIN-BGYRXZFFSA-N 0 3 338.451 2.177 10 10 EECEHN CCn1nc2c(cc1=O)CN(Cc1ccc(N(C)C)cc1C)CC2 ZINC000840917009 783251198 /nfs/dbraw/zinc/25/11/98/783251198.db2.gz MYJYXXQMUVHWJD-UHFFFAOYSA-N 0 3 326.444 2.196 10 10 EECEHN Cc1cc(CC(=O)N(C)CCN(C)CCO)c(C)n1-c1ccccc1 ZINC000912602073 788260820 /nfs/dbraw/zinc/26/08/20/788260820.db2.gz XMOQPIRPOZMPMN-UHFFFAOYSA-N 0 3 343.471 2.019 10 10 EECEHN O[C@@H]([C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1)C(F)(F)F ZINC000825124205 788447755 /nfs/dbraw/zinc/44/77/55/788447755.db2.gz JZWQHUWYDCJDJE-ZBFHGGJFSA-N 0 3 344.377 2.268 10 10 EECEHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc(C(N)=O)cc1 ZINC001175426488 798104414 /nfs/dbraw/zinc/10/44/14/798104414.db2.gz JIFHLRQQTBVJIJ-RYUDHWBXSA-N 0 3 327.384 2.169 10 10 EECEHN Cc1cc(N2CCC[C@H](NCc3ccc(N(C)C)cc3)C2=O)n(C)n1 ZINC000080526622 463327628 /nfs/dbraw/zinc/32/76/28/463327628.db2.gz NDUNKHWDFKIQAR-KRWDZBQOSA-N 0 3 341.459 2.080 10 10 EECEHN CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000271661271 464355909 /nfs/dbraw/zinc/35/59/09/464355909.db2.gz DJZUTLHFMPUADW-CVEARBPZSA-N 0 3 328.416 2.362 10 10 EECEHN COC(=O)/C=C/c1ccc(N2CCC[C@@H]2CN(C)C)c([N+](=O)[O-])c1 ZINC000268119580 464952746 /nfs/dbraw/zinc/95/27/46/464952746.db2.gz HGNYYEFMJGKTLM-RCQQVGEISA-N 0 3 333.388 2.311 10 10 EECEHN COC(=O)/C=C\c1ccc(N(C)[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000733190548 577212249 /nfs/dbraw/zinc/21/22/49/577212249.db2.gz GVFCMZSFZNVYKM-UVCVVPOWSA-N 0 3 345.399 2.454 10 10 EECEHN C[C@@H](NCCc1nnnn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000772465569 577274154 /nfs/dbraw/zinc/27/41/54/577274154.db2.gz KFZPTSNHHGUPPK-CYBMUJFWSA-N 0 3 332.427 2.233 10 10 EECEHN CC[S@@](=O)CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765955466 577510021 /nfs/dbraw/zinc/51/00/21/577510021.db2.gz VVGCRTGRRDPMSA-WHEQGISXSA-N 0 3 328.453 2.082 10 10 EECEHN CN1CCN(c2ccc(CN[C@@H](CO)c3ccsc3)cc2)CC1 ZINC000769931696 577587340 /nfs/dbraw/zinc/58/73/40/577587340.db2.gz BJJHWSUJPATYTB-SFHVURJKSA-N 0 3 331.485 2.323 10 10 EECEHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000757404852 577859535 /nfs/dbraw/zinc/85/95/35/577859535.db2.gz GBJBOTHQCPICPW-MJGOQNOKSA-N 0 3 345.487 2.212 10 10 EECEHN CCOc1ccc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c([O-])c1 ZINC000895341674 684515223 /nfs/dbraw/zinc/51/52/23/684515223.db2.gz JSTFETGLESGLLR-HNNXBMFYSA-N 0 3 333.432 2.171 10 10 EECEHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000827092964 1249851599 /nfs/dbraw/zinc/85/15/99/1249851599.db2.gz BITISAIWSQQKJA-BFUOFWGJSA-N 0 3 349.427 2.191 10 10 EECEHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000827092964 1249851609 /nfs/dbraw/zinc/85/16/09/1249851609.db2.gz BITISAIWSQQKJA-BFUOFWGJSA-N 0 3 349.427 2.191 10 10 EECEHN CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1[O-] ZINC000903533554 1240827926 /nfs/dbraw/zinc/82/79/26/1240827926.db2.gz HYDBQQMBTFEUEB-QWHCGFSZSA-N 0 3 334.313 2.445 10 10 EECEHN CO[C@]1(CO)CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000826952660 1248223324 /nfs/dbraw/zinc/22/33/24/1248223324.db2.gz ONVCRSTWNSFEMU-OAHLLOKOSA-N 0 3 344.249 2.436 10 10 EECEHN CCOc1ccc(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c([O-])c1 ZINC000850353305 1277195949 /nfs/dbraw/zinc/19/59/49/1277195949.db2.gz ZTQHXQMKHDAUTK-INIZCTEOSA-N 0 3 326.396 2.468 10 10 EECEHN COc1ccc(N2CC[C@H](NC(=O)c3ccc4c(c3)CNC4)C2)cc1 ZINC000851640178 1277696592 /nfs/dbraw/zinc/69/65/92/1277696592.db2.gz RTSGDXFREJQGIA-KRWDZBQOSA-N 0 3 337.423 2.307 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2cnc(C)cn2)cc1C ZINC001273823995 1286464377 /nfs/dbraw/zinc/46/43/77/1286464377.db2.gz VLXVVZZNYGPHMC-PLNGDYQASA-N 0 3 340.427 2.178 10 10 EECEHN CC(=O)c1cc(F)cc(CN2CCO[C@H](CCC[NH+](C)C)C2)c1[O-] ZINC000852760571 1292190131 /nfs/dbraw/zinc/19/01/31/1292190131.db2.gz ITXQWQVYPRZNFR-MRXNPFEDSA-N 0 3 338.423 2.277 10 10 EECEHN CCc1cccc(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1O ZINC000856535504 1293559291 /nfs/dbraw/zinc/55/92/91/1293559291.db2.gz BAJHDJMVEYTZTR-ZWKOTPCHSA-N 0 3 339.439 2.305 10 10 EECEHN CNC(=O)[C@H](C[NH2+]Cc1ccccc1[O-])Cc1ccc(OC)c(F)c1 ZINC000842718620 1315760449 /nfs/dbraw/zinc/76/04/49/1315760449.db2.gz QJALUETUZFUADY-HNNXBMFYSA-N 0 3 346.402 2.234 10 10 EECEHN COc1c([O-])c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043961 1315827273 /nfs/dbraw/zinc/82/72/73/1315827273.db2.gz DUIBYEOZHBQNBB-OCCSQVGLSA-N 0 3 335.404 2.273 10 10 EECEHN O=C1O[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1C1CC1 ZINC000844308020 789003668 /nfs/dbraw/zinc/00/36/68/789003668.db2.gz VYWCFQWAGHMROK-IRXDYDNUSA-N 0 3 346.427 2.356 10 10 EECEHN O=C1O[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1C1CC1 ZINC000844308020 789003678 /nfs/dbraw/zinc/00/36/78/789003678.db2.gz VYWCFQWAGHMROK-IRXDYDNUSA-N 0 3 346.427 2.356 10 10 EECEHN O[C@@H](CNCc1ccc2c(c1)CCO2)CN1CCc2ccccc2C1 ZINC000054174625 214222151 /nfs/dbraw/zinc/22/21/51/214222151.db2.gz OTTJRWDOEIMTHP-FQEVSTJZSA-N 0 3 338.451 2.130 10 10 EECEHN c1cn(CC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)nn1 ZINC000092098270 237038146 /nfs/dbraw/zinc/03/81/46/237038146.db2.gz WNGKPEOKEBVLCK-UHFFFAOYSA-N 0 3 341.459 2.027 10 10 EECEHN O=C(Cc1cccc(F)c1)NCCNCc1ccc2c(c1)CCO2 ZINC000069595680 463283529 /nfs/dbraw/zinc/28/35/29/463283529.db2.gz SJQOWBWETJKTGS-UHFFFAOYSA-N 0 3 328.387 2.209 10 10 EECEHN NC(=O)N[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000273150935 464706966 /nfs/dbraw/zinc/70/69/66/464706966.db2.gz HSFCUCUKTJPTRT-MRXNPFEDSA-N 0 3 341.411 2.214 10 10 EECEHN CCOC(=O)c1csc(CC[NH2+]Cc2cc(OC)ccc2[O-])n1 ZINC000191513204 464817749 /nfs/dbraw/zinc/81/77/49/464817749.db2.gz UCWUETZIKWYGDT-UHFFFAOYSA-N 0 3 336.413 2.366 10 10 EECEHN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(OC)c(C)cc1O ZINC000774685504 577411137 /nfs/dbraw/zinc/41/11/37/577411137.db2.gz BQEXBMDDTHTZSB-CABCVRRESA-N 0 3 337.416 2.252 10 10 EECEHN COC[C@@](C)(CO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000749287174 577974062 /nfs/dbraw/zinc/97/40/62/577974062.db2.gz DGPXEXLQBTVPBH-QGZVFWFLSA-N 0 3 337.420 2.072 10 10 EECEHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CCN1C ZINC000914201112 683355413 /nfs/dbraw/zinc/35/54/13/683355413.db2.gz XCLXVWVDRFSGCA-PBHICJAKSA-N 0 3 348.516 2.132 10 10 EECEHN COc1ccnc(CNCc2ccc(N3CCN(C)CC3)cc2)c1F ZINC000850380970 1277204730 /nfs/dbraw/zinc/20/47/30/1277204730.db2.gz RVGVMKHOECSOMU-UHFFFAOYSA-N 0 3 344.434 2.271 10 10 EECEHN Cc1cc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccn1 ZINC000858104293 1294007742 /nfs/dbraw/zinc/00/77/42/1294007742.db2.gz FSENMVPFBYAYNJ-SFHVURJKSA-N 0 3 338.455 2.382 10 10 EECEHN CNC(=O)[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000817415348 784767728 /nfs/dbraw/zinc/76/77/28/784767728.db2.gz RLCSQKQEICQNBH-OAHLLOKOSA-N 0 3 346.431 2.153 10 10 EECEHN CN1CCN(c2ccc(CN[C@@H](c3ncccn3)C3CC3)cc2)CC1 ZINC000922579012 801362102 /nfs/dbraw/zinc/36/21/02/801362102.db2.gz OCEHGMIAGXHAJQ-LJQANCHMSA-N 0 3 337.471 2.469 10 10 EECEHN Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000152732809 462574879 /nfs/dbraw/zinc/57/48/79/462574879.db2.gz HVLKDJSPZAKXBV-CQSZACIVSA-N 0 3 344.415 2.241 10 10 EECEHN Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000152732809 462574883 /nfs/dbraw/zinc/57/48/83/462574883.db2.gz HVLKDJSPZAKXBV-CQSZACIVSA-N 0 3 344.415 2.241 10 10 EECEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180960209 464427353 /nfs/dbraw/zinc/42/73/53/464427353.db2.gz XJJXKFHFZTUHQH-KAMXEHQASA-N 0 3 340.423 2.400 10 10 EECEHN CCOc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1[O-] ZINC000282853497 464975969 /nfs/dbraw/zinc/97/59/69/464975969.db2.gz PRASFNAJFKDIJP-CRAIPNDOSA-N 0 3 335.444 2.448 10 10 EECEHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000291646220 534143097 /nfs/dbraw/zinc/14/30/97/534143097.db2.gz JGLAWMIHUFJNJF-XIKOKIGWSA-N 0 3 338.423 2.358 10 10 EECEHN C[C@H](NCC(=O)N1CCOC[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000775837001 577446936 /nfs/dbraw/zinc/44/69/36/577446936.db2.gz QAFNUCLTDJDWQL-KSSFIOAISA-N 0 3 331.460 2.041 10 10 EECEHN C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])CCC3)CC[C@H]1N1CCN(C)CC1 ZINC000763343978 577719572 /nfs/dbraw/zinc/71/95/72/577719572.db2.gz ZNLSNKWNAQUULZ-OXJNMPFZSA-N 0 3 343.515 2.339 10 10 EECEHN C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])CCC3)CC[C@H]1N1CCN(C)CC1 ZINC000763343978 577719573 /nfs/dbraw/zinc/71/95/73/577719573.db2.gz ZNLSNKWNAQUULZ-OXJNMPFZSA-N 0 3 343.515 2.339 10 10 EECEHN CN(C)c1ccc(CNC(=O)CN2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000749564966 577978213 /nfs/dbraw/zinc/97/82/13/577978213.db2.gz ZXWNTXUKYADBGH-ZWKOTPCHSA-N 0 3 345.487 2.117 10 10 EECEHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868358265 1201797655 /nfs/dbraw/zinc/79/76/55/1201797655.db2.gz NXCWCDOKRWVYJH-HOTGVXAUSA-N 0 3 348.491 2.026 10 10 EECEHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@]4(CNC(=O)C4)C3)c2c1 ZINC000788382897 807507067 /nfs/dbraw/zinc/50/70/67/807507067.db2.gz HNZKGDGZVSCFIB-IBGZPJMESA-N 0 3 326.396 2.266 10 10 EECEHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@]4(CNC(=O)C4)C3)c2c1 ZINC000788382897 807507071 /nfs/dbraw/zinc/50/70/71/807507071.db2.gz HNZKGDGZVSCFIB-IBGZPJMESA-N 0 3 326.396 2.266 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)CC2CCCC2)cc1C ZINC001507169806 1115144674 /nfs/dbraw/zinc/14/46/74/1115144674.db2.gz BJFGTRAWIPGCCE-QGZVFWFLSA-N 0 3 334.460 2.151 10 10 EECEHN COc1cccc(CNC(=O)c2ccccc2OCCN(C)C)c1O ZINC000105651427 463459306 /nfs/dbraw/zinc/45/93/06/463459306.db2.gz AZVLUWVBYZLWPC-UHFFFAOYSA-N 0 3 344.411 2.271 10 10 EECEHN CCOC(=O)c1csc(CC[NH2+]Cc2cccc(OC)c2[O-])n1 ZINC000190339028 464620967 /nfs/dbraw/zinc/62/09/67/464620967.db2.gz AGXKJBBYFUMPRV-UHFFFAOYSA-N 0 3 336.413 2.366 10 10 EECEHN CN(C)C[C@@H]1CN(C(=O)/C=C/c2cncc(O)c2)c2ccccc2O1 ZINC000378538758 467334735 /nfs/dbraw/zinc/33/47/35/467334735.db2.gz AXJHGSOLRITHNT-KXPUMZMLSA-N 0 3 339.395 2.156 10 10 EECEHN CCNC(=S)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000768296521 577553379 /nfs/dbraw/zinc/55/33/79/577553379.db2.gz PJZIQQFLNCKPST-UHFFFAOYSA-N 0 3 332.517 2.203 10 10 EECEHN COc1ccc(CNC2(CNC(=O)C[C@H]3CCOC3)CC2)cc1C ZINC001670760356 1179167986 /nfs/dbraw/zinc/16/79/86/1179167986.db2.gz UKYGYOKUBHJZLO-MRXNPFEDSA-N 0 3 332.444 2.169 10 10 EECEHN COc1ccc(CN[C@@]2(CO)CCCN(C(=O)C3(C)CC3)C2)cc1C ZINC001484840480 1191544388 /nfs/dbraw/zinc/54/43/88/1191544388.db2.gz AKDHWYJXUYGCAI-FQEVSTJZSA-N 0 3 346.471 2.247 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@H](O)CCC1(O)CCC1)C[C@@H]1CCCO1 ZINC000929973293 1206523640 /nfs/dbraw/zinc/52/36/40/1206523640.db2.gz YEKAGJAXIUEOKC-MSOLQXFVSA-N 0 3 349.471 2.429 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@H](O)CCC1(O)CCC1)C[C@@H]1CCCO1 ZINC000929973293 1206523643 /nfs/dbraw/zinc/52/36/43/1206523643.db2.gz YEKAGJAXIUEOKC-MSOLQXFVSA-N 0 3 349.471 2.429 10 10 EECEHN Cc1cc(O)c(CNCCS(=O)(=O)CC(F)(F)F)cc1C ZINC000850364368 1277199712 /nfs/dbraw/zinc/19/97/12/1277199712.db2.gz CLNIUGRDSNVDAJ-UHFFFAOYSA-N 0 3 325.352 2.076 10 10 EECEHN COc1ccc(N2CC[C@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)cc1 ZINC000855231162 1293121806 /nfs/dbraw/zinc/12/18/06/1293121806.db2.gz KZHFDAVGZDGSDE-OAGGEKHMSA-N 0 3 331.460 2.263 10 10 EECEHN COc1ccc(N2CCN(CCNCc3oc(C)nc3C)CC2)cc1 ZINC000862274960 1295778698 /nfs/dbraw/zinc/77/86/98/1295778698.db2.gz ICSLBNIJTLGKQL-UHFFFAOYSA-N 0 3 344.459 2.212 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3coc(C)n3)CC2)cc1C ZINC001277044287 1300998056 /nfs/dbraw/zinc/99/80/56/1300998056.db2.gz YGWYLVTZDTZYIT-UHFFFAOYSA-N 0 3 329.400 2.352 10 10 EECEHN CCO[C@@]1(C)C[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001251501772 1317464991 /nfs/dbraw/zinc/46/49/91/1317464991.db2.gz ZNCVGEOECUNDBY-SCTDSRPQSA-N 0 3 348.491 2.222 10 10 EECEHN O=[N+]([O-])c1cc(Cl)cc(CNC[C@H]2C[NH2+]CCC2(F)F)c1[O-] ZINC000903955334 1331618150 /nfs/dbraw/zinc/61/81/50/1331618150.db2.gz PHUQTWBSEMVKPQ-SECBINFHSA-N 0 3 335.738 2.288 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3cc(C)no3)CC2)cc1C ZINC001323385117 1333453271 /nfs/dbraw/zinc/45/32/71/1333453271.db2.gz NUUJPKXHRYYZOQ-UHFFFAOYSA-N 0 3 329.400 2.352 10 10 EECEHN COc1ccc(N2CCCN(C(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC000847365326 1337983177 /nfs/dbraw/zinc/98/31/77/1337983177.db2.gz KGKDYBOQXAMPGK-MRXNPFEDSA-N 0 3 331.460 2.076 10 10 EECEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CN(C)CC(F)(F)F ZINC001653476288 1354124754 /nfs/dbraw/zinc/12/47/54/1354124754.db2.gz UILPHKKMUZUQRY-AWEZNQCLSA-N 0 3 334.382 2.459 10 10 EECEHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CN(C)CC(F)(F)F ZINC001653476288 1354124757 /nfs/dbraw/zinc/12/47/57/1354124757.db2.gz UILPHKKMUZUQRY-AWEZNQCLSA-N 0 3 334.382 2.459 10 10 EECEHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000182321280 778725333 /nfs/dbraw/zinc/72/53/33/778725333.db2.gz PHMCVJLBZIALPL-QANKJYHBSA-N 0 3 348.443 2.221 10 10 EECEHN COC[C@](C)(O)CC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000824559083 788214621 /nfs/dbraw/zinc/21/46/21/788214621.db2.gz FCQSYFRUVHFAAG-CQSZACIVSA-N 0 3 348.237 2.040 10 10 EECEHN COc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC001460635970 1110320173 /nfs/dbraw/zinc/32/01/73/1110320173.db2.gz FZHPXKQNMNQHPB-LBPRGKRZSA-N 0 3 343.383 2.400 10 10 EECEHN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001464109764 1110387783 /nfs/dbraw/zinc/38/77/83/1110387783.db2.gz ZTMUFTNAZCZWKD-QGZVFWFLSA-N 0 3 340.423 2.421 10 10 EECEHN CCC[C@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)N(C)C ZINC000161694506 463450173 /nfs/dbraw/zinc/45/01/73/463450173.db2.gz RZHAVWKSLUZIPI-GOSISDBHSA-N 0 3 333.476 2.464 10 10 EECEHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCCC[C@H]1C)cc2=O ZINC000734001262 577269738 /nfs/dbraw/zinc/26/97/38/577269738.db2.gz PDDGAWIBJOBJNK-GFCCVEGCSA-N 0 3 332.404 2.376 10 10 EECEHN c1snnc1CNCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000776252753 577455708 /nfs/dbraw/zinc/45/57/08/577455708.db2.gz XIPJHMHMTYVKPP-UHFFFAOYSA-N 0 3 343.500 2.360 10 10 EECEHN C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cc(F)ccc1[O-] ZINC000757655806 577861872 /nfs/dbraw/zinc/86/18/72/577861872.db2.gz LBOCACOYLKVTTQ-SWLSCSKDSA-N 0 3 346.406 2.107 10 10 EECEHN COC[C@@](C)(CCO)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000175854484 676381273 /nfs/dbraw/zinc/38/12/73/676381273.db2.gz NIZANQNGWFJMJY-CQSZACIVSA-N 0 3 348.237 2.040 10 10 EECEHN COC(=O)c1c(CNCC[C@@H](O)C(F)F)c2cc(F)ccc2n1C ZINC000895440173 684601250 /nfs/dbraw/zinc/60/12/50/684601250.db2.gz QQJYGDWXLYGZDR-CYBMUJFWSA-N 0 3 344.333 2.210 10 10 EECEHN COc1ccc(O)c(CN[C@]2(CO)CCc3c2cccc3OC)c1 ZINC000895634641 684666728 /nfs/dbraw/zinc/66/67/28/684666728.db2.gz NAQCNRMHAZWPSR-IBGZPJMESA-N 0 3 329.396 2.333 10 10 EECEHN COc1ccc(N2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC001626479681 1193473368 /nfs/dbraw/zinc/47/33/68/1193473368.db2.gz MBHXGBNPPDMFMI-HNNXBMFYSA-N 0 3 331.460 2.122 10 10 EECEHN COc1ccc(CN[C@]2(CO)CCCN(C(=O)C3(C)CC3)C2)cc1C ZINC001484840481 1191544404 /nfs/dbraw/zinc/54/44/04/1191544404.db2.gz AKDHWYJXUYGCAI-HXUWFJFHSA-N 0 3 346.471 2.247 10 10 EECEHN Cc1n[nH]c(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1C ZINC000886324961 1202492699 /nfs/dbraw/zinc/49/26/99/1202492699.db2.gz NYHCKZSDGOYFDY-UHFFFAOYSA-N 0 3 341.459 2.018 10 10 EECEHN C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccnnc1 ZINC000924727832 1206025131 /nfs/dbraw/zinc/02/51/31/1206025131.db2.gz GTWOPRDIANTPAN-YOEHRIQHSA-N 0 3 339.443 2.029 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@H](O)C1(O)CCCC1)C[C@H]1CCCO1 ZINC000929970121 1206523447 /nfs/dbraw/zinc/52/34/47/1206523447.db2.gz IPCNCUMUSVRDKF-AEFFLSMTSA-N 0 3 335.444 2.039 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@H](O)C1(O)CCCC1)C[C@H]1CCCO1 ZINC000929970121 1206523449 /nfs/dbraw/zinc/52/34/49/1206523449.db2.gz IPCNCUMUSVRDKF-AEFFLSMTSA-N 0 3 335.444 2.039 10 10 EECEHN CCOCc1cc(CN[C@H](C)C2(S(C)(=O)=O)CC2)ccc1OC ZINC000796490832 1219409393 /nfs/dbraw/zinc/40/93/93/1219409393.db2.gz OITWNFZYZQOTKG-CYBMUJFWSA-N 0 3 341.473 2.287 10 10 EECEHN COc1ccc(N2CC[C@H](NCc3cc(C(N)=O)cs3)C2)cc1 ZINC000850347125 1277189910 /nfs/dbraw/zinc/18/99/10/1277189910.db2.gz NUJSLAUHNYONCY-ZDUSSCGKSA-N 0 3 331.441 2.224 10 10 EECEHN COc1ccc(N2CC[C@H](NC(=O)C[C@H](N)c3ccccc3)C2)cc1 ZINC000851639370 1277697263 /nfs/dbraw/zinc/69/72/63/1277697263.db2.gz DQHWVEAPDOVOKS-LPHOPBHVSA-N 0 3 339.439 2.480 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)[C@@]23C[C@@H]2CCCC3)cc1C ZINC001278146995 1306098154 /nfs/dbraw/zinc/09/81/54/1306098154.db2.gz JIRGFEWUCLCHLE-ZWOKBUDYSA-N 0 3 346.471 2.151 10 10 EECEHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]([NH3+])CC(C)C ZINC000841006080 1315452819 /nfs/dbraw/zinc/45/28/19/1315452819.db2.gz IGGBAYVWYRVUFV-CQSZACIVSA-N 0 3 328.840 2.394 10 10 EECEHN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc1 ZINC001157007205 1318345134 /nfs/dbraw/zinc/34/51/34/1318345134.db2.gz UJZBFGSNEPICKA-QGZVFWFLSA-N 0 3 339.439 2.297 10 10 EECEHN CCc1n[nH]cc1C(=O)NC/C=C\CNCc1ccc(OC)c(C)c1 ZINC001321134372 1333027306 /nfs/dbraw/zinc/02/73/06/1333027306.db2.gz CMSGYQSQOGTTPO-WAYWQWQTSA-N 0 3 342.443 2.365 10 10 EECEHN CN(C)c1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)N(C)C)cc1 ZINC001456929105 1109370480 /nfs/dbraw/zinc/37/04/80/1109370480.db2.gz GIHLXPGRVDGMGX-MRXNPFEDSA-N 0 3 345.403 2.022 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)[C@H]2CCCCO2)cc1C ZINC001568835687 1124853420 /nfs/dbraw/zinc/85/34/20/1124853420.db2.gz FBKCRLJXIHLKMU-SHCNBLLESA-N 0 3 332.444 2.335 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CCCCO2)cc1C ZINC001568835689 1124854201 /nfs/dbraw/zinc/85/42/01/1124854201.db2.gz FBKCRLJXIHLKMU-XDXAGZTOSA-N 0 3 332.444 2.335 10 10 EECEHN CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054468687 214239684 /nfs/dbraw/zinc/23/96/84/214239684.db2.gz UXNUQIMRPHCZQC-CQSZACIVSA-N 0 3 334.441 2.059 10 10 EECEHN CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054468687 214239686 /nfs/dbraw/zinc/23/96/86/214239686.db2.gz UXNUQIMRPHCZQC-CQSZACIVSA-N 0 3 334.441 2.059 10 10 EECEHN Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000152732900 462575097 /nfs/dbraw/zinc/57/50/97/462575097.db2.gz HVLKDJSPZAKXBV-AWEZNQCLSA-N 0 3 344.415 2.241 10 10 EECEHN Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000152732900 462575099 /nfs/dbraw/zinc/57/50/99/462575099.db2.gz HVLKDJSPZAKXBV-AWEZNQCLSA-N 0 3 344.415 2.241 10 10 EECEHN C[C@H](NCCc1nnnn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000772465571 577274070 /nfs/dbraw/zinc/27/40/70/577274070.db2.gz KFZPTSNHHGUPPK-ZDUSSCGKSA-N 0 3 332.427 2.233 10 10 EECEHN CN(C)c1ccc(CN(C)C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000328097414 683147228 /nfs/dbraw/zinc/14/72/28/683147228.db2.gz RGGUNSVXEOXCPU-ABSDTBQOSA-N 0 3 345.487 2.244 10 10 EECEHN COC(=O)c1c(CNCCOCCF)c2cc(F)ccc2n1C ZINC000895358867 684538555 /nfs/dbraw/zinc/53/85/55/684538555.db2.gz FGAMHPYDIRDQES-UHFFFAOYSA-N 0 3 326.343 2.180 10 10 EECEHN COc1ccc(N2CCC(NCc3cc(C(N)=O)co3)CC2)cc1 ZINC000779069391 1208491388 /nfs/dbraw/zinc/49/13/88/1208491388.db2.gz RLACPALBPORXOL-UHFFFAOYSA-N 0 3 329.400 2.146 10 10 EECEHN CC[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1[O-] ZINC000797097018 1304644607 /nfs/dbraw/zinc/64/46/07/1304644607.db2.gz SSNFKZRKNLLVKU-HIFRSBDPSA-N 0 3 326.462 2.247 10 10 EECEHN COc1ccc(CNC2(CNC(=O)CC3(O)CCC3)CC2)cc1C ZINC001323437227 1333464206 /nfs/dbraw/zinc/46/42/06/1333464206.db2.gz FIOMWTDUVSFWQI-UHFFFAOYSA-N 0 3 332.444 2.047 10 10 EECEHN C[C@@H](N[C@@H]1CNCCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000817978398 785126681 /nfs/dbraw/zinc/12/66/81/785126681.db2.gz AGLCWQRPIDKAST-MLGOLLRUSA-N 0 3 343.393 2.310 10 10 EECEHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000922912719 788317107 /nfs/dbraw/zinc/31/71/07/788317107.db2.gz LFTBFUDARSUNON-RLFYNMQTSA-N 0 3 332.492 2.384 10 10 EECEHN COc1ccc([C@H](CN(C)C)NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001449327727 1094279624 /nfs/dbraw/zinc/27/96/24/1094279624.db2.gz CITRVSLJLZTIPI-INIZCTEOSA-N 0 3 344.411 2.068 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2cn(C)nc2C)cc1C ZINC001568829667 1124847727 /nfs/dbraw/zinc/84/77/27/1124847727.db2.gz YSJQPZYXTLMKPO-WAYWQWQTSA-N 0 3 342.443 2.121 10 10 EECEHN COc1ccc(CN[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000076020642 462787286 /nfs/dbraw/zinc/78/72/86/462787286.db2.gz HSHRVYKLPQFVTI-AEFFLSMTSA-N 0 3 346.383 2.096 10 10 EECEHN CCOCc1cc(CN[C@H]2CCc3nc(CC)nn3C2)ccc1OC ZINC000069745064 463318524 /nfs/dbraw/zinc/31/85/24/463318524.db2.gz JBEWGYLMKFVZIL-INIZCTEOSA-N 0 3 344.459 2.490 10 10 EECEHN COc1cccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1[O-] ZINC000277755049 463930279 /nfs/dbraw/zinc/93/02/79/463930279.db2.gz RINVJJFGPLFVHV-OAHLLOKOSA-N 0 3 330.432 2.201 10 10 EECEHN Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])C2=O)n(C)n1 ZINC000183662227 464893912 /nfs/dbraw/zinc/89/39/12/464893912.db2.gz PPBCLOOZXVTMNG-DZGCQCFKSA-N 0 3 328.416 2.280 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(C)cc(OC)c1O ZINC000774688908 577411398 /nfs/dbraw/zinc/41/13/98/577411398.db2.gz LBWMFTXKBKRXGH-LSDHHAIUSA-N 0 3 337.416 2.252 10 10 EECEHN CCN(CC)c1ccc(CN[C@@H]2C(=O)NCC23CCOCC3)cc1F ZINC000895772099 684718119 /nfs/dbraw/zinc/71/81/19/684718119.db2.gz BXGKWZHQEKXWEN-QGZVFWFLSA-N 0 3 349.450 2.057 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)C2CCOCC2)cc1C ZINC001268504950 1183082196 /nfs/dbraw/zinc/08/21/96/1183082196.db2.gz GTGIHGNDQRNFMW-ARJAWSKDSA-N 0 3 332.444 2.192 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2oncc2C)cc1C ZINC001274481362 1205053855 /nfs/dbraw/zinc/05/38/55/1205053855.db2.gz GSNCETLOAXYEPF-PLNGDYQASA-N 0 3 329.400 2.376 10 10 EECEHN CCCn1cc([C@@H](C)NCc2ccc(N3CCN(C)CC3)cc2)nn1 ZINC000903089914 1239708651 /nfs/dbraw/zinc/70/86/51/1239708651.db2.gz WVUYIKJNQLNZDZ-MRXNPFEDSA-N 0 3 342.491 2.291 10 10 EECEHN COc1ccc(N2CCC(NC(=O)C3(N)CC4(CCC4)C3)CC2)cc1 ZINC000851630210 1277690732 /nfs/dbraw/zinc/69/07/32/1277690732.db2.gz IVJPKSFWPXSWKC-UHFFFAOYSA-N 0 3 343.471 2.442 10 10 EECEHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228976 1293120857 /nfs/dbraw/zinc/12/08/57/1293120857.db2.gz GTOLMMVBGJHUJL-QAPCUYQASA-N 0 3 331.460 2.265 10 10 EECEHN COC(=O)[C@@]1(OC)CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000863296700 1296205241 /nfs/dbraw/zinc/20/52/41/1296205241.db2.gz KPCNBNWNOAPWJJ-LJQANCHMSA-N 0 3 345.395 2.318 10 10 EECEHN COC(=O)[C@@]1(OC)CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000863296700 1296205252 /nfs/dbraw/zinc/20/52/52/1296205252.db2.gz KPCNBNWNOAPWJJ-LJQANCHMSA-N 0 3 345.395 2.318 10 10 EECEHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1[O-] ZINC001331582855 1335040533 /nfs/dbraw/zinc/04/05/33/1335040533.db2.gz YQJUCGISKPFZBS-AWEZNQCLSA-N 0 3 341.835 2.418 10 10 EECEHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1[O-] ZINC001331582855 1335040535 /nfs/dbraw/zinc/04/05/35/1335040535.db2.gz YQJUCGISKPFZBS-AWEZNQCLSA-N 0 3 341.835 2.418 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)[C@H](C)n2cccn2)cc1C ZINC001668721101 1355992540 /nfs/dbraw/zinc/99/25/40/1355992540.db2.gz UJQWKKWUXKQHGK-APHBUQMISA-N 0 3 342.443 2.223 10 10 EECEHN COCC(C)(C)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000822498289 787243188 /nfs/dbraw/zinc/24/31/88/787243188.db2.gz XKOQUKRICMSFSS-UHFFFAOYSA-N 0 3 347.503 2.066 10 10 EECEHN CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H](O)C(F)F ZINC000824637422 788251241 /nfs/dbraw/zinc/25/12/41/788251241.db2.gz XGXCNZQAJKDFTP-ZFWWWQNUSA-N 0 3 332.366 2.157 10 10 EECEHN Cc1ccc(C)n1-c1ccc(C(=O)N(C)CCN(C)CCO)cc1 ZINC000912610831 788266690 /nfs/dbraw/zinc/26/66/90/788266690.db2.gz AFOOKYVDVLPPPF-UHFFFAOYSA-N 0 3 329.444 2.090 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)[C@@H](C)C2CCC2)cc1C ZINC001507207245 1115151821 /nfs/dbraw/zinc/15/18/21/1115151821.db2.gz SZPWIZLKFWGFAO-YOEHRIQHSA-N 0 3 334.460 2.007 10 10 EECEHN Cc1cc(O)c(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1C ZINC000131322567 237207869 /nfs/dbraw/zinc/20/78/69/237207869.db2.gz RWGMXTINALRZEX-MRXNPFEDSA-N 0 3 338.473 2.009 10 10 EECEHN COC(=O)/C=C/c1ccc(N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266283452 464770905 /nfs/dbraw/zinc/77/09/05/464770905.db2.gz UVDUVXDWAIOCCT-KEDPEKRHSA-N 0 3 343.383 2.232 10 10 EECEHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCN(C)c1ccncc1 ZINC000773741629 577362301 /nfs/dbraw/zinc/36/23/01/577362301.db2.gz LVHGWEGZHOFVKV-CYBMUJFWSA-N 0 3 329.400 2.067 10 10 EECEHN COC(=O)c1c(CN[C@@H](C)C2(CO)CC2)c2cc(F)ccc2n1C ZINC000895255041 684394575 /nfs/dbraw/zinc/39/45/75/684394575.db2.gz YYCNEGVJGLVXHK-NSHDSACASA-N 0 3 334.391 2.355 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2nn(C)cc2C)cc1C ZINC001274018114 1204325313 /nfs/dbraw/zinc/32/53/13/1204325313.db2.gz XQOLJRPMJUCUJA-WAYWQWQTSA-N 0 3 342.443 2.121 10 10 EECEHN CN1CCN(c2ccc(CN3CCO[C@H](C4CCC4)C3)cc2)CC1 ZINC000840953832 1315444880 /nfs/dbraw/zinc/44/48/80/1315444880.db2.gz BDFPBGDZFACGQT-FQEVSTJZSA-N 0 3 329.488 2.439 10 10 EECEHN CCO[C@@]1(C)C[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001251501771 1317465190 /nfs/dbraw/zinc/46/51/90/1317465190.db2.gz ZNCVGEOECUNDBY-LMMKCTJWSA-N 0 3 348.491 2.222 10 10 EECEHN CN(C)c1ccc([C@H](CNC(=O)COc2ccsn2)N(C)C)cc1 ZINC001304767475 1331396121 /nfs/dbraw/zinc/39/61/21/1331396121.db2.gz HOWYSFIIHUVPQE-HNNXBMFYSA-N 0 3 348.472 2.007 10 10 EECEHN O=[N+]([O-])c1cc(CNCCOCCCO)ccc1N1CCCCC1 ZINC001323748661 1333530724 /nfs/dbraw/zinc/53/07/24/1333530724.db2.gz PTIVDMDPSFFHJX-UHFFFAOYSA-N 0 3 337.420 2.074 10 10 EECEHN COC[C@@](C)(O)CC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000824559082 788214904 /nfs/dbraw/zinc/21/49/04/788214904.db2.gz FCQSYFRUVHFAAG-AWEZNQCLSA-N 0 3 348.237 2.040 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)c2ccc(F)cc2)cc1C ZINC001507167693 1115144251 /nfs/dbraw/zinc/14/42/51/1115144251.db2.gz MUQQQCNUZXUIQI-QGZVFWFLSA-N 0 3 346.402 2.023 10 10 EECEHN COc1ccc(CN[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000076020633 462787654 /nfs/dbraw/zinc/78/76/54/462787654.db2.gz HSHRVYKLPQFVTI-FUHWJXTLSA-N 0 3 346.383 2.096 10 10 EECEHN COc1cccc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)c1[O-] ZINC000121224594 463101331 /nfs/dbraw/zinc/10/13/31/463101331.db2.gz BJYBPAYDIVURGE-UHFFFAOYSA-N 0 3 344.459 2.194 10 10 EECEHN COc1cccc(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)c1[O-] ZINC000121224594 463101335 /nfs/dbraw/zinc/10/13/35/463101335.db2.gz BJYBPAYDIVURGE-UHFFFAOYSA-N 0 3 344.459 2.194 10 10 EECEHN Cn1ccnc1CC1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000121799739 463198188 /nfs/dbraw/zinc/19/81/88/463198188.db2.gz OBIAMKPRWPSGOF-UHFFFAOYSA-N 0 3 329.400 2.309 10 10 EECEHN CN1CCCc2cc(CNC(=O)N3CCN4CCC[C@@H]4C3)ccc21 ZINC000171905412 463946898 /nfs/dbraw/zinc/94/68/98/463946898.db2.gz PBKOZQKPNCAUGO-QGZVFWFLSA-N 0 3 328.460 2.059 10 10 EECEHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)CCN2CCN(C)CC2)c1[O-] ZINC000186595503 464029692 /nfs/dbraw/zinc/02/96/92/464029692.db2.gz XQBBGGWXXRZRKR-AWEZNQCLSA-N 0 3 325.884 2.470 10 10 EECEHN COc1cc([O-])c(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1OC ZINC000529671061 467893437 /nfs/dbraw/zinc/89/34/37/467893437.db2.gz YIYYFDVHAALPCK-HNNXBMFYSA-N 0 3 342.395 2.326 10 10 EECEHN COc1ccc(O)c(CNC(=O)NCCN2[C@H](C)CCC[C@H]2C)c1 ZINC000734070695 577276222 /nfs/dbraw/zinc/27/62/22/577276222.db2.gz ZKTNPYFDDSPJGF-ZIAGYGMSSA-N 0 3 335.448 2.463 10 10 EECEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000757656937 577862006 /nfs/dbraw/zinc/86/20/06/577862006.db2.gz PPMANOJFNXDIDZ-HOCLYGCPSA-N 0 3 342.443 2.276 10 10 EECEHN Cc1ccc(O)c([C@H](C)N[C@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000757656937 577862007 /nfs/dbraw/zinc/86/20/07/577862007.db2.gz PPMANOJFNXDIDZ-HOCLYGCPSA-N 0 3 342.443 2.276 10 10 EECEHN CCOCCN1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001481072258 1179674853 /nfs/dbraw/zinc/67/48/53/1179674853.db2.gz WNATWSWJWJDBBJ-OAHLLOKOSA-N 0 3 347.419 2.080 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)C[C@H]2CCCO2)cc1C ZINC001268517469 1183166717 /nfs/dbraw/zinc/16/67/17/1183166717.db2.gz ZZLQLZOYGHSPNS-REMYHPOOSA-N 0 3 332.444 2.335 10 10 EECEHN CCn1ccc(C(=O)NC/C=C\CNCc2ccc(OC)c(C)c2)n1 ZINC001268595149 1183428642 /nfs/dbraw/zinc/42/86/42/1183428642.db2.gz HKGZWFXKKCSKLS-WAYWQWQTSA-N 0 3 342.443 2.296 10 10 EECEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000929753640 1206498148 /nfs/dbraw/zinc/49/81/48/1206498148.db2.gz TWAYQZIIIFAROX-INIZCTEOSA-N 0 3 328.416 2.183 10 10 EECEHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CN=C(c2cnn(C)c2)O1 ZINC000929753640 1206498149 /nfs/dbraw/zinc/49/81/49/1206498149.db2.gz TWAYQZIIIFAROX-INIZCTEOSA-N 0 3 328.416 2.183 10 10 EECEHN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000092510165 1214562389 /nfs/dbraw/zinc/56/23/89/1214562389.db2.gz JNUFREPIDMCVJY-LJQANCHMSA-N 0 3 345.487 2.356 10 10 EECEHN CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000827099193 1249896261 /nfs/dbraw/zinc/89/62/61/1249896261.db2.gz QEQPQJWQBJFSJL-FZKQIMNGSA-N 0 3 337.391 2.321 10 10 EECEHN CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000827099193 1249896277 /nfs/dbraw/zinc/89/62/77/1249896277.db2.gz QEQPQJWQBJFSJL-FZKQIMNGSA-N 0 3 337.391 2.321 10 10 EECEHN COc1ccc(N2CC[C@@H](NCc3cc(C(N)=O)cs3)C2)cc1 ZINC000850347124 1277193255 /nfs/dbraw/zinc/19/32/55/1277193255.db2.gz NUJSLAUHNYONCY-CYBMUJFWSA-N 0 3 331.441 2.224 10 10 EECEHN CN(C)c1ccc(CNC(=O)CN2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000859544116 1294478352 /nfs/dbraw/zinc/47/83/52/1294478352.db2.gz QUKRGKUEDKZNRK-SJORKVTESA-N 0 3 333.501 2.339 10 10 EECEHN CN1CCOC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000862508810 1295862824 /nfs/dbraw/zinc/86/28/24/1295862824.db2.gz XWFORKWIQHAXKW-GOSISDBHSA-N 0 3 342.439 2.391 10 10 EECEHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000843427991 1315913253 /nfs/dbraw/zinc/91/32/53/1315913253.db2.gz DZKAZOWFNYDQCR-QGZVFWFLSA-N 0 3 344.503 2.229 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)c2ccsc2C)cc1C ZINC001676529944 1357161655 /nfs/dbraw/zinc/16/16/55/1357161655.db2.gz PBGNFOZQHSAURL-HNNXBMFYSA-N 0 3 348.468 2.254 10 10 EECEHN COc1ccc(N(C)CCN(C)C(=O)CN2CCC(C)CC2)cc1 ZINC001632049657 1352592698 /nfs/dbraw/zinc/59/26/98/1352592698.db2.gz NBCQQCCOLUKLBI-UHFFFAOYSA-N 0 3 333.476 2.322 10 10 EECEHN CCCCC[C@@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001647082914 1353131902 /nfs/dbraw/zinc/13/19/02/1353131902.db2.gz XLRVLOHFQHSTOF-QZTJIDSGSA-N 0 3 335.492 2.413 10 10 EECEHN COc1cc(Cl)cc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1[O-] ZINC000809703314 783319301 /nfs/dbraw/zinc/31/93/01/783319301.db2.gz IAMCGSAORFBWEZ-VIFPVBQESA-N 0 3 333.837 2.110 10 10 EECEHN COc1ccc(N2CC[C@H](CNCc3cn4cccnc4n3)C2)cc1 ZINC000822494097 787220579 /nfs/dbraw/zinc/22/05/79/787220579.db2.gz GHXVSLRDSYJSBQ-OAHLLOKOSA-N 0 3 337.427 2.354 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)C[C@@H]2CC=CCC2)cc1C ZINC001507222792 1115155382 /nfs/dbraw/zinc/15/53/82/1115155382.db2.gz SMKPCTDWJFQMRW-AEFFLSMTSA-N 0 3 346.471 2.317 10 10 EECEHN CN(C)c1ccc2c(c1)OCCN2C(=O)CCN(C)c1ccncc1 ZINC000540925621 468373220 /nfs/dbraw/zinc/37/32/20/468373220.db2.gz BOEOGFMXXXUXNB-UHFFFAOYSA-N 0 3 340.427 2.400 10 10 EECEHN CCOc1cccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1[O-] ZINC000377721313 467126648 /nfs/dbraw/zinc/12/66/48/467126648.db2.gz MICSRKZGIWDNSZ-ZDUSSCGKSA-N 0 3 328.416 2.543 10 10 EECEHN CCOc1cccc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1[O-] ZINC000377721313 467126651 /nfs/dbraw/zinc/12/66/51/467126651.db2.gz MICSRKZGIWDNSZ-ZDUSSCGKSA-N 0 3 328.416 2.543 10 10 EECEHN CN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCN(C2CC2)C1 ZINC000732456328 577181244 /nfs/dbraw/zinc/18/12/44/577181244.db2.gz HDIWNYNYTFHLED-GOSISDBHSA-N 0 3 342.487 2.447 10 10 EECEHN COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773306994 577331985 /nfs/dbraw/zinc/33/19/85/577331985.db2.gz NBXNRWIIXHPTNQ-CRAIPNDOSA-N 0 3 348.491 2.224 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(OCC)cc1[O-] ZINC000776014479 577450540 /nfs/dbraw/zinc/45/05/40/577450540.db2.gz RYFIPCBPJRPIPR-HOCLYGCPSA-N 0 3 337.416 2.333 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(OCC)cc1[O-] ZINC000776014479 577450541 /nfs/dbraw/zinc/45/05/41/577450541.db2.gz RYFIPCBPJRPIPR-HOCLYGCPSA-N 0 3 337.416 2.333 10 10 EECEHN CCOc1ccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c([O-])c1 ZINC000769342386 577575511 /nfs/dbraw/zinc/57/55/11/577575511.db2.gz LZMQYBAZQSPPGB-GOSISDBHSA-N 0 3 347.503 2.393 10 10 EECEHN CCOc1ccc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c([O-])c1 ZINC000769342386 577575512 /nfs/dbraw/zinc/57/55/12/577575512.db2.gz LZMQYBAZQSPPGB-GOSISDBHSA-N 0 3 347.503 2.393 10 10 EECEHN COCCN(C)C[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485078529 1191646487 /nfs/dbraw/zinc/64/64/87/1191646487.db2.gz GTHTYBPOUFKJNQ-OAHLLOKOSA-N 0 3 347.419 2.032 10 10 EECEHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)c1[O-] ZINC000866571229 1201550620 /nfs/dbraw/zinc/55/06/20/1201550620.db2.gz BCASPFMZLLUORF-JTQLQIEISA-N 0 3 334.869 2.319 10 10 EECEHN CNC(=O)C[C@@H](NCc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000796035694 1215261916 /nfs/dbraw/zinc/26/19/16/1215261916.db2.gz BDLJAFQKNMGTAF-OAHLLOKOSA-N 0 3 344.411 2.376 10 10 EECEHN Oc1cc2c(cc1CNCc1cnc(C(F)(F)F)nc1)OCO2 ZINC000850344901 1277191160 /nfs/dbraw/zinc/19/11/60/1277191160.db2.gz BDMRJDFTIWNLNH-UHFFFAOYSA-N 0 3 327.262 2.220 10 10 EECEHN Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000850384911 1277208765 /nfs/dbraw/zinc/20/87/65/1277208765.db2.gz SUURVXKHKKIWRE-DZGCQCFKSA-N 0 3 329.400 2.355 10 10 EECEHN COc1cccc([C@H](C)NCCS(=O)(=O)CC(F)(F)F)c1O ZINC000850518030 1277257191 /nfs/dbraw/zinc/25/71/91/1277257191.db2.gz IQTFMMGEWFEKJY-VIFPVBQESA-N 0 3 341.351 2.029 10 10 EECEHN CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000856595106 1293576363 /nfs/dbraw/zinc/57/63/63/1293576363.db2.gz OASWTFOMWUZONZ-KRWDZBQOSA-N 0 3 335.379 2.046 10 10 EECEHN CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000856595106 1293576371 /nfs/dbraw/zinc/57/63/71/1293576371.db2.gz OASWTFOMWUZONZ-KRWDZBQOSA-N 0 3 335.379 2.046 10 10 EECEHN COc1cnccc1N1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841296763 1315524565 /nfs/dbraw/zinc/52/45/65/1315524565.db2.gz HYYJHKLMOTWWED-UHFFFAOYSA-N 0 3 327.388 2.027 10 10 EECEHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1[O-] ZINC000843429169 1315913265 /nfs/dbraw/zinc/91/32/65/1315913265.db2.gz WKKKIPNKXYRBLE-MRXNPFEDSA-N 0 3 329.824 2.321 10 10 EECEHN CCN(CC)c1ccc(CN2CN(CCN(C)C)C(=O)[C@@H]2C)cc1 ZINC000843428632 1315913553 /nfs/dbraw/zinc/91/35/53/1315913553.db2.gz LHMVUEKIDLMSEJ-INIZCTEOSA-N 0 3 332.492 2.085 10 10 EECEHN CCC/C=C\[C@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001180180021 800288508 /nfs/dbraw/zinc/28/85/08/800288508.db2.gz TVDVDCDYVSFGLI-GNBGVQPESA-N 0 3 333.476 2.189 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)C2CCC(O)CC2)cc1C ZINC001568843924 1124863016 /nfs/dbraw/zinc/86/30/16/1124863016.db2.gz VZOGKCVKWQNYOY-ONEGZZNKSA-N 0 3 346.471 2.317 10 10 EECEHN CN(C)c1ccc(CNCc2cnc(N3CCOCC3)c(F)c2)cc1 ZINC000185079946 463748518 /nfs/dbraw/zinc/74/85/18/463748518.db2.gz RIHQSGAVUCQWCW-UHFFFAOYSA-N 0 3 344.434 2.413 10 10 EECEHN COc1c([O-])c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000278521333 463969628 /nfs/dbraw/zinc/96/96/28/463969628.db2.gz SDSIFQYMNWMNCS-AGUYFDCRSA-N 0 3 335.404 2.414 10 10 EECEHN C[C@H](CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[S@](C)=O ZINC000773066034 577313738 /nfs/dbraw/zinc/31/37/38/577313738.db2.gz SRPJRDZCMLIQDF-XXAQJILISA-N 0 3 342.480 2.470 10 10 EECEHN NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769429315 577577836 /nfs/dbraw/zinc/57/78/36/577577836.db2.gz XSFYOBIAKQRGJZ-QGZVFWFLSA-N 0 3 346.452 2.312 10 10 EECEHN NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000769429315 577577837 /nfs/dbraw/zinc/57/78/37/577577837.db2.gz XSFYOBIAKQRGJZ-QGZVFWFLSA-N 0 3 346.452 2.312 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2c(C)ncn2C)cc1C ZINC001268552836 1183244296 /nfs/dbraw/zinc/24/42/96/1183244296.db2.gz UARQLUZDADLNNG-AATRIKPKSA-N 0 3 342.443 2.121 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2oncc2C)cc1C ZINC001274481363 1205053691 /nfs/dbraw/zinc/05/36/91/1205053691.db2.gz GSNCETLOAXYEPF-SNAWJCMRSA-N 0 3 329.400 2.376 10 10 EECEHN COc1cc(O)c(CN[C@H]2Cc3ccccc3N(C)C2=O)cc1OC ZINC000826902210 1248116165 /nfs/dbraw/zinc/11/61/65/1248116165.db2.gz ISAOJYWHVLTNJB-AWEZNQCLSA-N 0 3 342.395 2.087 10 10 EECEHN CCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCN(C)C1 ZINC000853775739 1292447515 /nfs/dbraw/zinc/44/75/15/1292447515.db2.gz AJAABXOCGSNUEL-SFHVURJKSA-N 0 3 328.460 2.298 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@H]3CO[C@H](C)C3)CC2)cc1C ZINC001277102025 1301270498 /nfs/dbraw/zinc/27/04/98/1301270498.db2.gz OYTGFYANJPCIBH-GDBMZVCRSA-N 0 3 332.444 2.167 10 10 EECEHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000840269588 1315341105 /nfs/dbraw/zinc/34/11/05/1315341105.db2.gz YMONEHZPXRGFJK-DOTOQJQBSA-N 0 3 332.492 2.385 10 10 EECEHN CN1CCN(c2ccc(CN3CC4(C3)CCOCC4)cc2F)CC1 ZINC001324710570 1333743731 /nfs/dbraw/zinc/74/37/31/1333743731.db2.gz NMNWQMMHXLZJGQ-UHFFFAOYSA-N 0 3 333.451 2.190 10 10 EECEHN CNC(=O)[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000817415347 784767578 /nfs/dbraw/zinc/76/75/78/784767578.db2.gz RLCSQKQEICQNBH-HNNXBMFYSA-N 0 3 346.431 2.153 10 10 EECEHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c([O-])c1 ZINC000527956663 317293099 /nfs/dbraw/zinc/29/30/99/317293099.db2.gz QXYMCDTZECZMEE-OXQOHEQNSA-N 0 3 348.487 2.275 10 10 EECEHN COc1ccc(CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000076020639 462787515 /nfs/dbraw/zinc/78/75/15/462787515.db2.gz HSHRVYKLPQFVTI-WMZOPIPTSA-N 0 3 346.383 2.096 10 10 EECEHN CC(C)[C@H](C)NC(=O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000065578612 462801892 /nfs/dbraw/zinc/80/18/92/462801892.db2.gz XZFLZOQDBWYEJC-ZDUSSCGKSA-N 0 3 348.443 2.494 10 10 EECEHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1[O-] ZINC000248863655 464812554 /nfs/dbraw/zinc/81/25/54/464812554.db2.gz HCMQCCPVWMIDJP-IUODEOHRSA-N 0 3 340.851 2.207 10 10 EECEHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1[O-] ZINC000248863655 464812558 /nfs/dbraw/zinc/81/25/58/464812558.db2.gz HCMQCCPVWMIDJP-IUODEOHRSA-N 0 3 340.851 2.207 10 10 EECEHN Cc1ccc([C@@H](C)N[C@@H]2CCN(C3CCOCC3)C2=O)c(O)c1C ZINC000368211178 466588708 /nfs/dbraw/zinc/58/87/08/466588708.db2.gz CEUVYVYPZORWEY-RHSMWYFYSA-N 0 3 332.444 2.440 10 10 EECEHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(C)cc(OC)c1O ZINC000774688907 577411261 /nfs/dbraw/zinc/41/12/61/577411261.db2.gz LBWMFTXKBKRXGH-HUUCEWRRSA-N 0 3 337.416 2.252 10 10 EECEHN C[NH+]1CCC(n2cc(NC(=O)NCc3c([O-])cccc3F)cn2)CC1 ZINC000923624227 1200935094 /nfs/dbraw/zinc/93/50/94/1200935094.db2.gz NQQQNDCYLAFWLS-UHFFFAOYSA-N 0 3 347.394 2.316 10 10 EECEHN C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCN1C ZINC000925314213 1206095201 /nfs/dbraw/zinc/09/52/01/1206095201.db2.gz RUEYSYBHSWYWGE-PVAVHDDUSA-N 0 3 347.459 2.175 10 10 EECEHN CCc1noc(C[C@@]2(O)CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC000856594603 1293577162 /nfs/dbraw/zinc/57/71/62/1293577162.db2.gz WETLWDYEUNDQCX-IBGZPJMESA-N 0 3 344.459 2.268 10 10 EECEHN COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000858542851 1294149509 /nfs/dbraw/zinc/14/95/09/1294149509.db2.gz YLDHHSIKVQJZFU-NSHDSACASA-N 0 3 342.823 2.074 10 10 EECEHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1sccc1C(N)=O ZINC001655349863 1354170975 /nfs/dbraw/zinc/17/09/75/1354170975.db2.gz WNKHIRITSCARGC-VHSXEESVSA-N 0 3 333.413 2.230 10 10 EECEHN CN1CCC[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000919657384 770160573 /nfs/dbraw/zinc/16/05/73/770160573.db2.gz JPHJLPOYKUQOEU-SJORKVTESA-N 0 3 347.459 2.177 10 10 EECEHN CNC(=O)[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])C(C)C ZINC000785583188 806516011 /nfs/dbraw/zinc/51/60/11/806516011.db2.gz LSPRCALASNKFMS-LBPRGKRZSA-N 0 3 345.237 2.024 10 10 EECEHN Cc1cc(Br)cc(C[NH2+]C[C@H](O)C(F)(F)F)c1[O-] ZINC000789599199 808094368 /nfs/dbraw/zinc/09/43/68/808094368.db2.gz FUWPZSXNPREYQG-VIFPVBQESA-N 0 3 328.128 2.476 10 10 EECEHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c([O-])c1 ZINC000527956664 317293350 /nfs/dbraw/zinc/29/33/50/317293350.db2.gz QXYMCDTZECZMEE-UZLBHIALSA-N 0 3 348.487 2.275 10 10 EECEHN Cc1nccn1CCC[N@@H+](C)Cc1cc(=O)oc2cc([O-])c(O)cc12 ZINC000097135214 463332201 /nfs/dbraw/zinc/33/22/01/463332201.db2.gz VUBWARKOHLZAJV-UHFFFAOYSA-N 0 3 343.383 2.231 10 10 EECEHN Cc1nccn1CCC[N@H+](C)Cc1cc(=O)oc2cc([O-])c(O)cc12 ZINC000097135214 463332206 /nfs/dbraw/zinc/33/22/06/463332206.db2.gz VUBWARKOHLZAJV-UHFFFAOYSA-N 0 3 343.383 2.231 10 10 EECEHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)c1ccc(F)cc1F ZINC000170676669 463693175 /nfs/dbraw/zinc/69/31/75/463693175.db2.gz YIWGQBDTRBDNOL-UHFFFAOYSA-N 0 3 349.356 2.444 10 10 EECEHN CS(=O)(=O)NCC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000285201692 464485514 /nfs/dbraw/zinc/48/55/14/464485514.db2.gz WLGYBZMOWGHLLT-UHFFFAOYSA-N 0 3 348.468 2.307 10 10 EECEHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2nnnn2-c2ccccc2)c1 ZINC000775374844 577436120 /nfs/dbraw/zinc/43/61/20/577436120.db2.gz GMHXTBCDAPIBGX-ZDUSSCGKSA-N 0 3 339.399 2.270 10 10 EECEHN CC[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccccc1[O-] ZINC000775551010 577439312 /nfs/dbraw/zinc/43/93/12/577439312.db2.gz GAPHALYEOUIGMQ-HOTGVXAUSA-N 0 3 342.443 2.358 10 10 EECEHN COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000777219798 577475224 /nfs/dbraw/zinc/47/52/24/577475224.db2.gz NLXJRIXCLKZVHR-HUUCEWRRSA-N 0 3 329.824 2.264 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2cnn(C)c2C)cc1C ZINC001482983618 1187937353 /nfs/dbraw/zinc/93/73/53/1187937353.db2.gz FVTQDPXJAMJHEJ-WAYWQWQTSA-N 0 3 342.443 2.121 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)Cc2cnc(C)o2)cc1C ZINC001274088344 1204364271 /nfs/dbraw/zinc/36/42/71/1204364271.db2.gz GPUARXRSDYJROL-SNAWJCMRSA-N 0 3 343.427 2.305 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@@H](O)C1(O)CCCC1)C[C@H]1CCCO1 ZINC000929970123 1206523471 /nfs/dbraw/zinc/52/34/71/1206523471.db2.gz IPCNCUMUSVRDKF-SJLPKXTDSA-N 0 3 335.444 2.039 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)C1(O)CCCC1)C[C@H]1CCCO1 ZINC000929970123 1206523474 /nfs/dbraw/zinc/52/34/74/1206523474.db2.gz IPCNCUMUSVRDKF-SJLPKXTDSA-N 0 3 335.444 2.039 10 10 EECEHN Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000850384912 1277208882 /nfs/dbraw/zinc/20/88/82/1277208882.db2.gz SUURVXKHKKIWRE-HIFRSBDPSA-N 0 3 329.400 2.355 10 10 EECEHN CO[C@](C)(CO)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000848558263 1338720848 /nfs/dbraw/zinc/72/08/48/1338720848.db2.gz LAAJPPKSRZIQQW-GUYCJALGSA-N 0 3 342.867 2.225 10 10 EECEHN CO[C@@](C)(CO)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000848921418 1338807202 /nfs/dbraw/zinc/80/72/02/1338807202.db2.gz ATCHAOPGRWASIC-LJQANCHMSA-N 0 3 331.412 2.458 10 10 EECEHN CCOc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c([O-])c1 ZINC000824517025 788198814 /nfs/dbraw/zinc/19/88/14/788198814.db2.gz OTAZYFZXBVBWRO-AWEZNQCLSA-N 0 3 347.436 2.452 10 10 EECEHN CN1CCC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805184576 811174869 /nfs/dbraw/zinc/17/48/69/811174869.db2.gz OXZULUBILXQHEG-LBPRGKRZSA-N 0 3 342.237 2.048 10 10 EECEHN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001464109763 1110387818 /nfs/dbraw/zinc/38/78/18/1110387818.db2.gz ZTMUFTNAZCZWKD-KRWDZBQOSA-N 0 3 340.423 2.421 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001507185947 1115148005 /nfs/dbraw/zinc/14/80/05/1115148005.db2.gz QZNFSKXZNCGWDQ-IMBTUZDBSA-N 0 3 346.471 2.007 10 10 EECEHN COC[C@@H](O)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000375756029 466873675 /nfs/dbraw/zinc/87/36/75/466873675.db2.gz HPJCTYXBXHWZCS-IBGZPJMESA-N 0 3 326.440 2.346 10 10 EECEHN COc1ccc(N2CCC(NC(=O)N[C@H]3CCCN(C)C3)CC2)cc1 ZINC000726707960 576290172 /nfs/dbraw/zinc/29/01/72/576290172.db2.gz IHOWZNZDHFLJAS-INIZCTEOSA-N 0 3 346.475 2.057 10 10 EECEHN C[C@H]1C[C@H]([NH2+]CCCN2CCCS2(=O)=O)c2c1c(F)ccc2[O-] ZINC000756686030 577848524 /nfs/dbraw/zinc/84/85/24/577848524.db2.gz HHDSSTVQIZGOTD-AAEUAGOBSA-N 0 3 342.436 2.095 10 10 EECEHN Cc1cc([O-])c(C[NH2+]C[C@H](C)CN2CCN(C)CC2)c(Cl)c1 ZINC000840894903 683187346 /nfs/dbraw/zinc/18/73/46/683187346.db2.gz XVEVYRWJEPCIAI-AWEZNQCLSA-N 0 3 325.884 2.327 10 10 EECEHN CN(C)Cc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000867690511 1201660072 /nfs/dbraw/zinc/66/00/72/1201660072.db2.gz GHWHLFMOQYGQPE-UHFFFAOYSA-N 0 3 332.425 2.158 10 10 EECEHN [O-]c1c(F)cc(Cl)cc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974653 1242811867 /nfs/dbraw/zinc/81/18/67/1242811867.db2.gz VLNNXWNUPMUBLF-ZDUSSCGKSA-N 0 3 328.815 2.433 10 10 EECEHN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CNCC2(CCOCC2)C1 ZINC000903974653 1242811879 /nfs/dbraw/zinc/81/18/79/1242811879.db2.gz VLNNXWNUPMUBLF-ZDUSSCGKSA-N 0 3 328.815 2.433 10 10 EECEHN COc1cc(Cl)cc(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000827164892 1250320079 /nfs/dbraw/zinc/32/00/79/1250320079.db2.gz RUTRXYFAFSUBBG-CABZTGNLSA-N 0 3 333.837 2.110 10 10 EECEHN COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)c1[O-] ZINC000827164892 1250320088 /nfs/dbraw/zinc/32/00/88/1250320088.db2.gz RUTRXYFAFSUBBG-CABZTGNLSA-N 0 3 333.837 2.110 10 10 EECEHN O=C(c1cccc(O)c1[O-])N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001142659222 1315689837 /nfs/dbraw/zinc/68/98/37/1315689837.db2.gz NFTLVYGMSKLMAB-WBVHZDCISA-N 0 3 338.407 2.444 10 10 EECEHN O=C(c1cccc(O)c1[O-])N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001142659222 1315689839 /nfs/dbraw/zinc/68/98/39/1315689839.db2.gz NFTLVYGMSKLMAB-WBVHZDCISA-N 0 3 338.407 2.444 10 10 EECEHN C[NH+](C)CCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1F ZINC001626215187 1352321409 /nfs/dbraw/zinc/32/14/09/1352321409.db2.gz FOQDABBTHZEAPZ-UHFFFAOYSA-N 0 3 334.347 2.430 10 10 EECEHN CN(C)C1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC001646435681 1352841019 /nfs/dbraw/zinc/84/10/19/1352841019.db2.gz SOOAIJASGMKLTQ-UHFFFAOYSA-N 0 3 345.487 2.138 10 10 EECEHN CCON(C)C(=O)CNCc1ccc(OCc2ccccc2)cc1O ZINC000846066537 790051229 /nfs/dbraw/zinc/05/12/29/790051229.db2.gz ZSHXRZQUCKZWQA-UHFFFAOYSA-N 0 3 344.411 2.471 10 10 EECEHN COc1ccc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000076020635 462786902 /nfs/dbraw/zinc/78/69/02/462786902.db2.gz HSHRVYKLPQFVTI-SJLPKXTDSA-N 0 3 346.383 2.096 10 10 EECEHN COc1cccc(CNCc2cc(OC)c3c(c2)OCCO3)c1O ZINC000265090915 464509357 /nfs/dbraw/zinc/50/93/57/464509357.db2.gz NGHVOCBHCXFKEO-UHFFFAOYSA-N 0 3 331.368 2.470 10 10 EECEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000246014248 464534613 /nfs/dbraw/zinc/53/46/13/464534613.db2.gz ZBIUAWSJNQONGS-BFYDXBDKSA-N 0 3 334.460 2.474 10 10 EECEHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000246014248 464534618 /nfs/dbraw/zinc/53/46/18/464534618.db2.gz ZBIUAWSJNQONGS-BFYDXBDKSA-N 0 3 334.460 2.474 10 10 EECEHN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CCN1C1CCCC1 ZINC000530213260 467963869 /nfs/dbraw/zinc/96/38/69/467963869.db2.gz OFJOAQLKVIUPKM-MRXNPFEDSA-N 0 3 343.427 2.173 10 10 EECEHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(S(N)(=O)=O)cc1 ZINC000319711616 681864730 /nfs/dbraw/zinc/86/47/30/681864730.db2.gz OFXKXJCISXXTMJ-GFCCVEGCSA-N 0 3 332.425 2.120 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@H]3C[C@@H](C)CO3)CC2)cc1C ZINC001269455642 1184279471 /nfs/dbraw/zinc/27/94/71/1184279471.db2.gz LPPWPOYECLIAMA-CXAGYDPISA-N 0 3 332.444 2.167 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2ccnc(C)n2)cc1C ZINC001274590278 1205089438 /nfs/dbraw/zinc/08/94/38/1205089438.db2.gz XOSGNZYAMSADIS-PLNGDYQASA-N 0 3 340.427 2.178 10 10 EECEHN O=C1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])N1 ZINC000827370219 1247963747 /nfs/dbraw/zinc/96/37/47/1247963747.db2.gz BRGYJKPBQHRAGA-INIZCTEOSA-N 0 3 326.396 2.339 10 10 EECEHN CO[C@@]1(CO)CCCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000826952659 1248223372 /nfs/dbraw/zinc/22/33/72/1248223372.db2.gz ONVCRSTWNSFEMU-HNNXBMFYSA-N 0 3 344.249 2.436 10 10 EECEHN Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000850384913 1277209141 /nfs/dbraw/zinc/20/91/41/1277209141.db2.gz SUURVXKHKKIWRE-UKRRQHHQSA-N 0 3 329.400 2.355 10 10 EECEHN c1cc(CNCc2ccc(N3CCOCC3)cc2)n(-c2ccccn2)n1 ZINC000842672234 1315750912 /nfs/dbraw/zinc/75/09/12/1315750912.db2.gz YQCYSDKTYXMKFG-UHFFFAOYSA-N 0 3 349.438 2.394 10 10 EECEHN C[C@@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1ccccc1[O-] ZINC001560074716 1342506852 /nfs/dbraw/zinc/50/68/52/1342506852.db2.gz CCSYGDAABQECFS-SNVBAGLBSA-N 0 3 333.413 2.232 10 10 EECEHN COC(=O)CCCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001472280698 1110550233 /nfs/dbraw/zinc/55/02/33/1110550233.db2.gz KGNRLWMSOONIMV-KRWDZBQOSA-N 0 3 349.475 2.205 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)C(C)(C)C2CC2)cc1C ZINC001507225684 1115155815 /nfs/dbraw/zinc/15/58/15/1115155815.db2.gz DZLXOVPULULHED-MRXNPFEDSA-N 0 3 334.460 2.007 10 10 EECEHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000774686129 577411114 /nfs/dbraw/zinc/41/11/14/577411114.db2.gz AIDCFROILRSMHR-SJORKVTESA-N 0 3 333.428 2.423 10 10 EECEHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000774686129 577411115 /nfs/dbraw/zinc/41/11/15/577411115.db2.gz AIDCFROILRSMHR-SJORKVTESA-N 0 3 333.428 2.423 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1[O-] ZINC000794711149 1197904684 /nfs/dbraw/zinc/90/46/84/1197904684.db2.gz QGHXKYOYVCDLNM-LJQANCHMSA-N 0 3 342.395 2.029 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1[O-] ZINC000794711149 1197904690 /nfs/dbraw/zinc/90/46/90/1197904690.db2.gz QGHXKYOYVCDLNM-LJQANCHMSA-N 0 3 342.395 2.029 10 10 EECEHN O=C1CCCN1[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093278007 1214839011 /nfs/dbraw/zinc/83/90/11/1214839011.db2.gz PESVZMNWOULKHQ-LJQANCHMSA-N 0 3 343.471 2.110 10 10 EECEHN C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc2ccccc2c1[O-] ZINC000843429678 1315914151 /nfs/dbraw/zinc/91/41/51/1315914151.db2.gz ZJMFPZRKXNHORT-CQSZACIVSA-N 0 3 327.428 2.097 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CCOC[C@@H]2C)cc1C ZINC001321235754 1333051386 /nfs/dbraw/zinc/05/13/86/1333051386.db2.gz LLQRMOQWUVKECK-IMBPEULASA-N 0 3 346.471 2.438 10 10 EECEHN NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000846046681 790035965 /nfs/dbraw/zinc/03/59/65/790035965.db2.gz MPVNCJTYUROPIS-IYBDPMFKSA-N 0 3 326.396 2.325 10 10 EECEHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@H]1CCCN(c2cccnn2)C1 ZINC000120249952 462978057 /nfs/dbraw/zinc/97/80/57/462978057.db2.gz PMTNUBPXSVYKPZ-AWEZNQCLSA-N 0 3 342.399 2.012 10 10 EECEHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@H]1CCCN(c2cccnn2)C1 ZINC000120249952 462978063 /nfs/dbraw/zinc/97/80/63/462978063.db2.gz PMTNUBPXSVYKPZ-AWEZNQCLSA-N 0 3 342.399 2.012 10 10 EECEHN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2=O)n(C)n1 ZINC000186328266 463978010 /nfs/dbraw/zinc/97/80/10/463978010.db2.gz NDMYGPAHBWEDSC-IUODEOHRSA-N 0 3 346.406 2.419 10 10 EECEHN c1cc(N2CCOCC2)ccc1CN1CCS[C@H]2COCC[C@H]21 ZINC000246457700 464586942 /nfs/dbraw/zinc/58/69/42/464586942.db2.gz NZIOENMMUXNXIY-MSOLQXFVSA-N 0 3 334.485 2.230 10 10 EECEHN COc1ccc(O)c(CN[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000191807802 464827752 /nfs/dbraw/zinc/82/77/52/464827752.db2.gz NQJJNDDJZFFJAI-QGZVFWFLSA-N 0 3 344.386 2.431 10 10 EECEHN Cc1ccc([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)c([O-])c1C ZINC000756688607 577848611 /nfs/dbraw/zinc/84/86/11/577848611.db2.gz PCTLNCPLVAXHFF-AWEZNQCLSA-N 0 3 326.462 2.085 10 10 EECEHN COc1c([O-])c(CNc2ccc3c(c2)OCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000863649331 1296366600 /nfs/dbraw/zinc/36/66/00/1296366600.db2.gz CODKFYPLWHDGOB-UHFFFAOYSA-N 0 3 345.355 2.403 10 10 EECEHN CN(C)c1ccc(CNC[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000842723151 1315761709 /nfs/dbraw/zinc/76/17/09/1315761709.db2.gz YZLPASJRUVOZBS-INIZCTEOSA-N 0 3 346.452 2.077 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)C2C(C)(C)C2(C)C)cc1C ZINC001331697507 1335059756 /nfs/dbraw/zinc/05/97/56/1335059756.db2.gz QHDSXADCJSIPJS-HNNXBMFYSA-N 0 3 348.487 2.253 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@H](C)n3cccn3)CC2)cc1C ZINC001699644214 1405427912 /nfs/dbraw/zinc/42/79/12/1405427912.db2.gz DCXXMEWUJYYPHR-HNNXBMFYSA-N 0 3 342.443 2.200 10 10 EECEHN CCN1C[C@@H](CN(Cc2ccccc2O)C[C@H]2CCCO2)OC1=O ZINC000846824066 790598561 /nfs/dbraw/zinc/59/85/61/790598561.db2.gz GSWCWPNJMFYXCI-HZPDHXFCSA-N 0 3 334.416 2.214 10 10 EECEHN Cc1cc(Br)cc(C[NH2+]CC[C@@]2(O)CCOC2)c1[O-] ZINC000846047714 790036582 /nfs/dbraw/zinc/03/65/82/790036582.db2.gz AOZDROUWOAOIFL-CQSZACIVSA-N 0 3 330.222 2.094 10 10 EECEHN CCOC(=O)c1csc(CC[NH2+]Cc2c([O-])cccc2OC)n1 ZINC000786824688 806893688 /nfs/dbraw/zinc/89/36/88/806893688.db2.gz YRTSRQBXBGBXGP-UHFFFAOYSA-N 0 3 336.413 2.366 10 10 EECEHN CCCc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]n1 ZINC001456938809 1109374850 /nfs/dbraw/zinc/37/48/50/1109374850.db2.gz YXYRGJXTIKSHNN-SFHVURJKSA-N 0 3 343.475 2.461 10 10 EECEHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000282882995 464987193 /nfs/dbraw/zinc/98/71/93/464987193.db2.gz CWWLOKAMASGEQG-QGZVFWFLSA-N 0 3 340.423 2.470 10 10 EECEHN COc1cc(Br)cc(C[NH2+][C@@H]2CCCN(C)C2)c1[O-] ZINC000725846509 576065980 /nfs/dbraw/zinc/06/59/80/576065980.db2.gz KLASHCFTDLAKMV-GFCCVEGCSA-N 0 3 329.238 2.347 10 10 EECEHN CC[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccccc1[O-] ZINC000775551012 577439325 /nfs/dbraw/zinc/43/93/25/577439325.db2.gz GAPHALYEOUIGMQ-JKSUJKDBSA-N 0 3 342.443 2.358 10 10 EECEHN Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c([O-])c1O ZINC000770503476 577597589 /nfs/dbraw/zinc/59/75/89/577597589.db2.gz APJZPMVORCFBRT-OAHLLOKOSA-N 0 3 348.443 2.123 10 10 EECEHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCOCC3)C2=O)c2c1c(F)ccc2[O-] ZINC000756737723 577849628 /nfs/dbraw/zinc/84/96/28/577849628.db2.gz YJYIRSWBZOGXKY-UGFHNGPFSA-N 0 3 348.418 2.449 10 10 EECEHN COCCN(C)C[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485078525 1191646265 /nfs/dbraw/zinc/64/62/65/1191646265.db2.gz GTHTYBPOUFKJNQ-HNNXBMFYSA-N 0 3 347.419 2.032 10 10 EECEHN CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1[O-] ZINC000903533553 1240827884 /nfs/dbraw/zinc/82/78/84/1240827884.db2.gz HYDBQQMBTFEUEB-OLZOCXBDSA-N 0 3 334.313 2.445 10 10 EECEHN COc1ccc(N2CC[C@H](NC(=O)c3cccc4c3CNC4)C2)cc1 ZINC000852843729 1292213208 /nfs/dbraw/zinc/21/32/08/1292213208.db2.gz GBXRANQMVCXKKW-HNNXBMFYSA-N 0 3 337.423 2.307 10 10 EECEHN Cc1cc[nH]c(=O)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001603556204 1350719108 /nfs/dbraw/zinc/71/91/08/1350719108.db2.gz WNSUQQRYXYYWML-INIZCTEOSA-N 0 3 342.443 2.194 10 10 EECEHN C[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000925791307 776573366 /nfs/dbraw/zinc/57/33/66/776573366.db2.gz LYMGFSKDUUYGNM-YPMHNXCESA-N 0 3 326.387 2.480 10 10 EECEHN C[C@@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000925791307 776573372 /nfs/dbraw/zinc/57/33/72/776573372.db2.gz LYMGFSKDUUYGNM-YPMHNXCESA-N 0 3 326.387 2.480 10 10 EECEHN COc1ccnc(N2CCN(Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000164197615 789110379 /nfs/dbraw/zinc/11/03/79/789110379.db2.gz SCHUQHSURCTNSQ-UHFFFAOYSA-N 0 3 328.416 2.130 10 10 EECEHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1[O-] ZINC000846187957 790083394 /nfs/dbraw/zinc/08/33/94/790083394.db2.gz DCVKKJXZUUEGII-KKZNHRDASA-N 0 3 327.222 2.378 10 10 EECEHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@]4(CNC(=O)C4)C3)c2c1 ZINC000788382899 807506857 /nfs/dbraw/zinc/50/68/57/807506857.db2.gz HNZKGDGZVSCFIB-LJQANCHMSA-N 0 3 326.396 2.266 10 10 EECEHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@]4(CNC(=O)C4)C3)c2c1 ZINC000788382899 807506861 /nfs/dbraw/zinc/50/68/61/807506861.db2.gz HNZKGDGZVSCFIB-LJQANCHMSA-N 0 3 326.396 2.266 10 10 EECEHN Cc1n[nH]cc1CN[C@H](C)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000071825360 203121187 /nfs/dbraw/zinc/12/11/87/203121187.db2.gz AEHQLHQKOPFBDA-CYBMUJFWSA-N 0 3 331.439 2.460 10 10 EECEHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282825358 464963144 /nfs/dbraw/zinc/96/31/44/464963144.db2.gz NPXXCPURGOTXMO-RDTXWAMCSA-N 0 3 335.444 2.448 10 10 EECEHN CCN1CCN([C@H]2CC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)CC1 ZINC000191330490 529152479 /nfs/dbraw/zinc/15/24/79/529152479.db2.gz BOEXHKUTQPSWKJ-ZDUSSCGKSA-N 0 3 341.858 2.397 10 10 EECEHN CCN1CCN([C@H]2CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)CC1 ZINC000191330490 529152480 /nfs/dbraw/zinc/15/24/80/529152480.db2.gz BOEXHKUTQPSWKJ-ZDUSSCGKSA-N 0 3 341.858 2.397 10 10 EECEHN C[C@@H](NCC(=O)N(C)CC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775254151 577433741 /nfs/dbraw/zinc/43/37/41/577433741.db2.gz HYUAWDVAQJDHLS-OAHLLOKOSA-N 0 3 331.460 2.042 10 10 EECEHN CC[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccccc1[O-] ZINC000775551011 577439306 /nfs/dbraw/zinc/43/93/06/577439306.db2.gz GAPHALYEOUIGMQ-HZPDHXFCSA-N 0 3 342.443 2.358 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@H]3CCOC[C@H]3C)CC2)cc1C ZINC001269485033 1184304446 /nfs/dbraw/zinc/30/44/46/1184304446.db2.gz XQMZKIZZIJEHCA-WBVHZDCISA-N 0 3 346.471 2.415 10 10 EECEHN CCNc1nc(NC(C)(C)C)nc(N2Cc3cccc(O)c3C2)n1 ZINC000866116872 1201437796 /nfs/dbraw/zinc/43/77/96/1201437796.db2.gz CYXVJRSLJWOSQP-UHFFFAOYSA-N 0 3 328.420 2.162 10 10 EECEHN CCOc1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)c([O-])c1 ZINC000850348524 1277191684 /nfs/dbraw/zinc/19/16/84/1277191684.db2.gz OCHRYJWNKHZQEW-NRFANRHFSA-N 0 3 325.352 2.192 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CCOC[C@H]2C)cc1C ZINC001321235752 1333051536 /nfs/dbraw/zinc/05/15/36/1333051536.db2.gz LLQRMOQWUVKECK-FPZRGXOSSA-N 0 3 346.471 2.438 10 10 EECEHN O=C(Cc1ccc(O)c(O)c1)NCCCN1CCc2ccccc2C1 ZINC001136208781 785492495 /nfs/dbraw/zinc/49/24/95/785492495.db2.gz OIRISZMUQPMANA-UHFFFAOYSA-N 0 3 340.423 2.205 10 10 EECEHN [O-]c1cc2c(cc1C[NH2+]C1CCN(c3ccccn3)CC1)OCO2 ZINC000063255952 462635404 /nfs/dbraw/zinc/63/54/04/462635404.db2.gz DMMUFCQCESFTEG-UHFFFAOYSA-N 0 3 327.384 2.275 10 10 EECEHN Cn1ccc(CNCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1 ZINC000768670043 577560609 /nfs/dbraw/zinc/56/06/09/577560609.db2.gz LHORBRFIUBPUHU-UHFFFAOYSA-N 0 3 339.487 2.242 10 10 EECEHN O=C1NCC2(CCOCC2)[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000895772347 684718746 /nfs/dbraw/zinc/71/87/46/684718746.db2.gz DXOGSXUAGKQPEP-SFHVURJKSA-N 0 3 343.471 2.062 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3cccnc3)CC2)cc1C ZINC001483710493 1190792273 /nfs/dbraw/zinc/79/22/73/1190792273.db2.gz FLZHTKQPMYOBOL-UHFFFAOYSA-N 0 3 325.412 2.451 10 10 EECEHN O=C1NCCN1Cc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000865816486 1198389517 /nfs/dbraw/zinc/38/95/17/1198389517.db2.gz KQCDEAOGTLKLLT-UHFFFAOYSA-N 0 3 337.423 2.437 10 10 EECEHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCNC2=O)c1[O-] ZINC000779017079 1208440317 /nfs/dbraw/zinc/44/03/17/1208440317.db2.gz KEBVGOHWKLVJGP-CABZTGNLSA-N 0 3 327.222 2.392 10 10 EECEHN COc1cc(Br)cc(C[NH2+][C@H](CO)C2CCC2)c1[O-] ZINC000850350417 1277194146 /nfs/dbraw/zinc/19/41/46/1277194146.db2.gz RHTZKEVGJYRGGW-GFCCVEGCSA-N 0 3 330.222 2.414 10 10 EECEHN Cc1cc(O)c(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1C ZINC000856534602 1293560327 /nfs/dbraw/zinc/56/03/27/1293560327.db2.gz WGNABEYIZVAFSK-ZWKOTPCHSA-N 0 3 339.439 2.359 10 10 EECEHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1[O-] ZINC000858494127 1294133709 /nfs/dbraw/zinc/13/37/09/1294133709.db2.gz DCVKKJXZUUEGII-FXPVBKGRSA-N 0 3 327.222 2.378 10 10 EECEHN CN(C)c1cc(F)c(CN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1F ZINC000862384634 1295818686 /nfs/dbraw/zinc/81/86/86/1295818686.db2.gz FMPJPKPXPUKOEP-SUYBPPKGSA-N 0 3 340.414 2.393 10 10 EECEHN COc1ccc(CN[C@@]2(CO)CCCN(C(=O)C3CCC3)C2)cc1C ZINC001327541606 1334312044 /nfs/dbraw/zinc/31/20/44/1334312044.db2.gz QPVLRMOKYSKBBQ-FQEVSTJZSA-N 0 3 346.471 2.247 10 10 EECEHN CCOCc1cc(CNC[C@@H]2CN(C3CC3)CCO2)ccc1OC ZINC000171646059 463899077 /nfs/dbraw/zinc/89/90/77/463899077.db2.gz PROGIRUETTWXSB-GOSISDBHSA-N 0 3 334.460 2.185 10 10 EECEHN CCN1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@@H](C)C1 ZINC000278229515 463958305 /nfs/dbraw/zinc/95/83/05/463958305.db2.gz MOGSSKGQTPZUMS-JSGCOSHPSA-N 0 3 337.420 2.471 10 10 EECEHN CCN1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@@H](C)C1 ZINC000278229515 463958307 /nfs/dbraw/zinc/95/83/07/463958307.db2.gz MOGSSKGQTPZUMS-JSGCOSHPSA-N 0 3 337.420 2.471 10 10 EECEHN COC[C@](C)(CCO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000271773323 464380100 /nfs/dbraw/zinc/38/01/00/464380100.db2.gz BYQNKJGOTUPMEC-AWEZNQCLSA-N 0 3 332.238 2.340 10 10 EECEHN CCN(C)c1ccc([C@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000246446909 464587148 /nfs/dbraw/zinc/58/71/48/464587148.db2.gz OXTDLKOAAOGJRC-KSSFIOAISA-N 0 3 341.459 2.332 10 10 EECEHN O=c1[nH]ccc2c1CN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000369514854 466735776 /nfs/dbraw/zinc/73/57/76/466735776.db2.gz FEAQLYQLBWKKFC-UHFFFAOYSA-N 0 3 325.412 2.182 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(C)cc(OC)c1O ZINC000774688906 577411256 /nfs/dbraw/zinc/41/12/56/577411256.db2.gz LBWMFTXKBKRXGH-GJZGRUSLSA-N 0 3 337.416 2.252 10 10 EECEHN Cc1cc(N(C)C)ccc1CNCCN1C(=O)c2ccccc2C1=O ZINC000775011923 577426373 /nfs/dbraw/zinc/42/63/73/577426373.db2.gz MEGGOWWYXYLXAT-UHFFFAOYSA-N 0 3 337.423 2.447 10 10 EECEHN COc1cc(C(=O)NC/C=C\CNCc2ccc(OC)c(C)c2)on1 ZINC001483001772 1187983308 /nfs/dbraw/zinc/98/33/08/1187983308.db2.gz XKQVSENKAAFDFV-PLNGDYQASA-N 0 3 345.399 2.076 10 10 EECEHN COc1ccc(N2CCN(CCCNCc3cc(C)no3)CC2)cc1 ZINC000865405324 1198199057 /nfs/dbraw/zinc/19/90/57/1198199057.db2.gz GNDGMCQQOOVYQH-UHFFFAOYSA-N 0 3 344.459 2.294 10 10 EECEHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)c1[O-] ZINC000866520233 1201539000 /nfs/dbraw/zinc/53/90/00/1201539000.db2.gz DUDGULUSABZPJQ-BDJLRTHQSA-N 0 3 340.807 2.226 10 10 EECEHN COc1ccc(N2CC[C@@H](NCc3ccc(C(=O)N(C)C)[nH]3)C2)cc1 ZINC000850347855 1277191943 /nfs/dbraw/zinc/19/19/43/1277191943.db2.gz ZDJKHUCDRXWFIN-OAHLLOKOSA-N 0 3 342.443 2.094 10 10 EECEHN Cc1ccc(O)c(CN2CCN(c3ccc(F)cc3C(N)=O)CC2)c1 ZINC000857068286 1293712582 /nfs/dbraw/zinc/71/25/82/1293712582.db2.gz YWTUOQQQOMHHSD-UHFFFAOYSA-N 0 3 343.402 2.261 10 10 EECEHN CN1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000694752651 1304134884 /nfs/dbraw/zinc/13/48/84/1304134884.db2.gz PALNMAYMXQURQR-LJQANCHMSA-N 0 3 343.446 2.437 10 10 EECEHN COc1ccc(N2CC[C@@H](CNCc3cncnc3OC)C2)cc1 ZINC000842714317 1315759651 /nfs/dbraw/zinc/75/96/51/1315759651.db2.gz OIBOJQAYQNTXOO-AWEZNQCLSA-N 0 3 328.416 2.110 10 10 EECEHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@]1(C)CC[NH2+]C1 ZINC000843063265 1315833176 /nfs/dbraw/zinc/83/31/76/1315833176.db2.gz QNGLEUUIBMVDLQ-MRXNPFEDSA-N 0 3 326.824 2.020 10 10 EECEHN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F ZINC001324848697 1333772556 /nfs/dbraw/zinc/77/25/56/1333772556.db2.gz GNSNWQNLJAREJS-ZYOFXKKJSA-N 0 3 329.366 2.422 10 10 EECEHN CN(Cc1ccc(S(=O)(=O)NC2CC2)cc1)Cc1ccccc1O ZINC000844307598 789003757 /nfs/dbraw/zinc/00/37/57/789003757.db2.gz RVGAOENGDMWUKM-UHFFFAOYSA-N 0 3 346.452 2.465 10 10 EECEHN C[N@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)Cc1ccccc1[O-] ZINC000844307598 789003768 /nfs/dbraw/zinc/00/37/68/789003768.db2.gz RVGAOENGDMWUKM-UHFFFAOYSA-N 0 3 346.452 2.465 10 10 EECEHN C[N@@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)Cc1ccccc1[O-] ZINC000844307598 789003777 /nfs/dbraw/zinc/00/37/77/789003777.db2.gz RVGAOENGDMWUKM-UHFFFAOYSA-N 0 3 346.452 2.465 10 10 EECEHN CCCOc1ccc(CNC[C@@]2(OC)CCS(=O)(=O)C2)cc1C ZINC000922618504 801531083 /nfs/dbraw/zinc/53/10/83/801531083.db2.gz MFJDWUMLZGKVBF-KRWDZBQOSA-N 0 3 341.473 2.077 10 10 EECEHN CN(C)c1ccc(CNC(=O)CN(C)C[C@]23CCC[C@H]2OCC3)cc1 ZINC001473896731 1110584611 /nfs/dbraw/zinc/58/46/11/1110584611.db2.gz HCEDDGOHDBKRHF-UYAOXDASSA-N 0 3 345.487 2.260 10 10 EECEHN C[C@H](O)CN1CCN(Cc2cc(Br)ccc2O)C[C@H]1C ZINC000245705962 464507725 /nfs/dbraw/zinc/50/77/25/464507725.db2.gz FACJTOGEKGVRSM-NEPJUHHUSA-N 0 3 343.265 2.042 10 10 EECEHN COC(=O)c1c(CN(C)C[C@H](O)C2CC2)c2cc(F)ccc2n1C ZINC000894776656 683083334 /nfs/dbraw/zinc/08/33/34/683083334.db2.gz JDGLGHUWXYSBGL-INIZCTEOSA-N 0 3 334.391 2.307 10 10 EECEHN CC1([NH+]2CCOCC2)CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895401954 684584858 /nfs/dbraw/zinc/58/48/58/684584858.db2.gz GOJGCCJVLFFACV-UHFFFAOYSA-N 0 3 326.387 2.357 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2cccn2C)cc1C ZINC001482983331 1187937416 /nfs/dbraw/zinc/93/74/16/1187937416.db2.gz BZGQLLQCVQGJLE-SNAWJCMRSA-N 0 3 327.428 2.418 10 10 EECEHN CC(=O)c1cc(F)cc(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1[O-] ZINC000872147173 1198055166 /nfs/dbraw/zinc/05/51/66/1198055166.db2.gz FGUJBWAEFPNKMO-MFKMUULPSA-N 0 3 334.313 2.303 10 10 EECEHN CC[C@H]1C[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000850322671 1277169478 /nfs/dbraw/zinc/16/94/78/1277169478.db2.gz CTFHYTACWGEETQ-KBPBESRZSA-N 0 3 326.387 2.459 10 10 EECEHN CCC/C=C\[C@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001180180023 800288400 /nfs/dbraw/zinc/28/84/00/800288400.db2.gz TVDVDCDYVSFGLI-VTFYZGIISA-N 0 3 333.476 2.189 10 10 EECEHN C[C@@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1O ZINC001473722766 1110579316 /nfs/dbraw/zinc/57/93/16/1110579316.db2.gz NOZZPQAYFIWOPG-GFCCVEGCSA-N 0 3 325.368 2.028 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)C[C@H]2CC=CCC2)cc1C ZINC001507222797 1115155016 /nfs/dbraw/zinc/15/50/16/1115155016.db2.gz SMKPCTDWJFQMRW-WMZOPIPTSA-N 0 3 346.471 2.317 10 10 EECEHN CCOc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1[O-] ZINC000282853508 464975152 /nfs/dbraw/zinc/97/51/52/464975152.db2.gz PRASFNAJFKDIJP-QAPCUYQASA-N 0 3 335.444 2.448 10 10 EECEHN CCOCc1cc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)ccc1OC ZINC000363264299 466318022 /nfs/dbraw/zinc/31/80/22/466318022.db2.gz LCEPRLYOISGDTB-XYPHTWIQSA-N 0 3 332.444 2.331 10 10 EECEHN COc1cccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1[O-] ZINC000375841470 466879489 /nfs/dbraw/zinc/87/94/89/466879489.db2.gz NUUDHMDKQQKVDO-UHFFFAOYSA-N 0 3 328.416 2.318 10 10 EECEHN C[NH+]1CCC(CNC(=O)c2cccc(O)c2[O-])(c2ccccc2)CC1 ZINC000870189866 1200544555 /nfs/dbraw/zinc/54/45/55/1200544555.db2.gz VMJJPDAMDWXGOA-UHFFFAOYSA-N 0 3 340.423 2.491 10 10 EECEHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)c1ccccc1[O-] ZINC000866492423 1201530579 /nfs/dbraw/zinc/53/05/79/1201530579.db2.gz OPCPRNISAQXRSS-APHBMKBZSA-N 0 3 338.473 2.436 10 10 EECEHN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000092510163 1214561911 /nfs/dbraw/zinc/56/19/11/1214561911.db2.gz JNUFREPIDMCVJY-IBGZPJMESA-N 0 3 345.487 2.356 10 10 EECEHN COC[C@@H](CC[NH2+]Cc1cc(Br)cc(OC)c1[O-])OC ZINC000850345198 1277191206 /nfs/dbraw/zinc/19/12/06/1277191206.db2.gz OERHGPGXNOYYEZ-GFCCVEGCSA-N 0 3 348.237 2.304 10 10 EECEHN CCOc1ccc(O)c(CN[C@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000850352809 1277196290 /nfs/dbraw/zinc/19/62/90/1277196290.db2.gz IRXOQEDNZKXNJM-INIZCTEOSA-N 0 3 326.396 2.468 10 10 EECEHN CC[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccccc1[O-] ZINC000858465950 1294124310 /nfs/dbraw/zinc/12/43/10/1294124310.db2.gz RJAAFOZQGMRJPD-LPHOPBHVSA-N 0 3 334.460 2.049 10 10 EECEHN CC[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(C)cc1[O-] ZINC000858465375 1294124331 /nfs/dbraw/zinc/12/43/31/1294124331.db2.gz FBRHPPFAUZTREJ-PXNSSMCTSA-N 0 3 348.487 2.357 10 10 EECEHN CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000862551479 1295878029 /nfs/dbraw/zinc/87/80/29/1295878029.db2.gz NJRNEWREJAUAEI-AWEZNQCLSA-N 0 3 348.468 2.307 10 10 EECEHN CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000862551479 1295878038 /nfs/dbraw/zinc/87/80/38/1295878038.db2.gz NJRNEWREJAUAEI-AWEZNQCLSA-N 0 3 348.468 2.307 10 10 EECEHN O=S1(=O)C[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)Oc2ccccc21 ZINC000842883525 1315790854 /nfs/dbraw/zinc/79/08/54/1315790854.db2.gz KAAGOMZEJOQGJW-KBPBESRZSA-N 0 3 345.420 2.204 10 10 EECEHN O=C(NCc1c(O)cccc1O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001647270656 1353213393 /nfs/dbraw/zinc/21/33/93/1353213393.db2.gz VZVBTNFUDLCRFQ-OAHLLOKOSA-N 0 3 341.411 2.021 10 10 EECEHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c([O-])c1C ZINC000527954516 317292110 /nfs/dbraw/zinc/29/21/10/317292110.db2.gz LRLZLENBZUIEKW-OXQOHEQNSA-N 0 3 348.487 2.275 10 10 EECEHN CN(C)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000048711438 462933759 /nfs/dbraw/zinc/93/37/59/462933759.db2.gz CRRVWGKXUAUYTJ-UHFFFAOYSA-N 0 3 326.444 2.274 10 10 EECEHN CN1CCN(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1(C)C ZINC000294718486 464584503 /nfs/dbraw/zinc/58/45/03/464584503.db2.gz PGKXIYROMLGRFY-UHFFFAOYSA-N 0 3 329.847 2.300 10 10 EECEHN O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000282927205 465004585 /nfs/dbraw/zinc/00/45/85/465004585.db2.gz FPVKNFPUXRVCAO-MRXNPFEDSA-N 0 3 344.386 2.301 10 10 EECEHN CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653926 1201196079 /nfs/dbraw/zinc/19/60/79/1201196079.db2.gz YJGLBXHOJCZAAN-KBXCAEBGSA-N 0 3 340.423 2.359 10 10 EECEHN CCn1cnc(C(=O)NC/C=C\CNCc2ccc(OC)c(C)c2)c1 ZINC001274511228 1205063679 /nfs/dbraw/zinc/06/36/79/1205063679.db2.gz OPQRGHGUULOAIO-WAYWQWQTSA-N 0 3 342.443 2.296 10 10 EECEHN C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccccc1[O-] ZINC000858565347 1294155759 /nfs/dbraw/zinc/15/57/59/1294155759.db2.gz MXMDREHKPHYKTN-DOTOQJQBSA-N 0 3 327.428 2.339 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2cnc(C)n2C)cc1C ZINC001321211617 1333045875 /nfs/dbraw/zinc/04/58/75/1333045875.db2.gz OVIBKLXELNVBIG-WAYWQWQTSA-N 0 3 342.443 2.121 10 10 EECEHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1[O-] ZINC001644183332 1352759492 /nfs/dbraw/zinc/75/94/92/1352759492.db2.gz JIFHLRQQTBVJIJ-NEPJUHHUSA-N 0 3 327.384 2.169 10 10 EECEHN COc1ccc(N2CCN(CCNCc3cnccc3C)CC2)cc1 ZINC000279792210 464148927 /nfs/dbraw/zinc/14/89/27/464148927.db2.gz CXXVATYLOBEAOG-UHFFFAOYSA-N 0 3 340.471 2.310 10 10 EECEHN CCN(CC(=O)NC1CCN(C2CC2)CC1)c1ccc(OC)cc1 ZINC000729473828 576656290 /nfs/dbraw/zinc/65/62/90/576656290.db2.gz UUVNEJJEDFUZQY-UHFFFAOYSA-N 0 3 331.460 2.265 10 10 EECEHN CCOc1ccc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c([O-])c1 ZINC000895341675 684515384 /nfs/dbraw/zinc/51/53/84/684515384.db2.gz JSTFETGLESGLLR-OAHLLOKOSA-N 0 3 333.432 2.171 10 10 EECEHN C[C@@H](CNCc1cncs1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268717908 1183638097 /nfs/dbraw/zinc/63/80/97/1183638097.db2.gz NTICGQQGCNINDJ-JTQLQIEISA-N 0 3 346.416 2.214 10 10 EECEHN COc1ccc(N2CCCN(C(=O)N[C@H]3CCN(C)[C@@H]3C)CC2)cc1 ZINC000925318234 1206095692 /nfs/dbraw/zinc/09/56/92/1206095692.db2.gz DLRHNTAHTGFKOQ-QAPCUYQASA-N 0 3 346.475 2.010 10 10 EECEHN CO[C@@]1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCS(=O)(=O)C1 ZINC000903364409 1240315994 /nfs/dbraw/zinc/31/59/94/1240315994.db2.gz WAUJGCQGFRUOJJ-IAQYHMDHSA-N 0 3 347.864 2.208 10 10 EECEHN COc1ccc(N2CCN(C[C@@H](OC)[C@@H]3CCOC3)CC2)cc1F ZINC000851807827 1291852129 /nfs/dbraw/zinc/85/21/29/1291852129.db2.gz JRSVMFIDBDNWQQ-RDTXWAMCSA-N 0 3 338.423 2.008 10 10 EECEHN CC[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1[O-] ZINC000797097020 1304644640 /nfs/dbraw/zinc/64/46/40/1304644640.db2.gz SSNFKZRKNLLVKU-UKRRQHHQSA-N 0 3 326.462 2.247 10 10 EECEHN COCCCN1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001264380127 1322683739 /nfs/dbraw/zinc/68/37/39/1322683739.db2.gz DADHDCJSVPVNQF-HNNXBMFYSA-N 0 3 347.419 2.032 10 10 EECEHN C[C@H]1CCN(CC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000847355783 1337974529 /nfs/dbraw/zinc/97/45/29/1337974529.db2.gz GPDGUASZEBPEIA-HNNXBMFYSA-N 0 3 333.501 2.198 10 10 EECEHN Cc1cc(Br)cc(C[N@@H+](C)C[C@H]2CN(C)CCO2)c1[O-] ZINC000709429143 786949820 /nfs/dbraw/zinc/94/98/20/786949820.db2.gz XUMCPWHZBWSTRX-CQSZACIVSA-N 0 3 343.265 2.226 10 10 EECEHN Cc1cc(Br)cc(C[N@H+](C)C[C@H]2CN(C)CCO2)c1[O-] ZINC000709429143 786949825 /nfs/dbraw/zinc/94/98/25/786949825.db2.gz XUMCPWHZBWSTRX-CQSZACIVSA-N 0 3 343.265 2.226 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c1[O-] ZINC000792713462 809956973 /nfs/dbraw/zinc/95/69/73/809956973.db2.gz LGOJMUGVMAFDAF-CALCHBBNSA-N 0 3 345.395 2.178 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c1[O-] ZINC000792713462 809956978 /nfs/dbraw/zinc/95/69/78/809956978.db2.gz LGOJMUGVMAFDAF-CALCHBBNSA-N 0 3 345.395 2.178 10 10 EECEHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)c[nH]c2=O)N(C)C)cc1 ZINC001456927085 1109369758 /nfs/dbraw/zinc/36/97/58/1109369758.db2.gz AHVHKNWCHNCLOJ-MRXNPFEDSA-N 0 3 346.406 2.025 10 10 EECEHN COC(=O)/C=C/c1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089544 216006400 /nfs/dbraw/zinc/00/64/00/216006400.db2.gz CNCPOGVCZJCFSJ-KEDPEKRHSA-N 0 3 345.399 2.456 10 10 EECEHN CCN1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000264659358 464411938 /nfs/dbraw/zinc/41/19/38/464411938.db2.gz QMMRWDIQRKEWJF-SOFGYWHQSA-N 0 3 333.388 2.313 10 10 EECEHN CCN1CCC[C@@H]1CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000175344027 464530743 /nfs/dbraw/zinc/53/07/43/464530743.db2.gz MYEOHQSHEBISJO-LJQANCHMSA-N 0 3 346.519 2.127 10 10 EECEHN Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2=O)n(C)n1 ZINC000183662217 464893862 /nfs/dbraw/zinc/89/38/62/464893862.db2.gz PPBCLOOZXVTMNG-ZFWWWQNUSA-N 0 3 328.416 2.280 10 10 EECEHN OC[C@@]1(NCc2ccc(N3CCOCC3)cc2)CCc2ccccc21 ZINC000305121831 466350592 /nfs/dbraw/zinc/35/05/92/466350592.db2.gz BNGZJAJRSNOOQV-NRFANRHFSA-N 0 3 338.451 2.447 10 10 EECEHN Cc1ccc([O-])c(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000367964392 466562438 /nfs/dbraw/zinc/56/24/38/466562438.db2.gz UUYPUUBAOUJPLK-INIZCTEOSA-N 0 3 346.452 2.253 10 10 EECEHN Cc1ccc(O)c(CN[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000367964392 466562446 /nfs/dbraw/zinc/56/24/46/466562446.db2.gz UUYPUUBAOUJPLK-INIZCTEOSA-N 0 3 346.452 2.253 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(OC)c(C)cc1O ZINC000774685505 577411143 /nfs/dbraw/zinc/41/11/43/577411143.db2.gz BQEXBMDDTHTZSB-GJZGRUSLSA-N 0 3 337.416 2.252 10 10 EECEHN Cc1cc(CCNC(=O)NCCN(C)C)c(C)n1-c1ccccc1 ZINC000762421884 577700842 /nfs/dbraw/zinc/70/08/42/577700842.db2.gz CPFFNSHDTKTGOQ-UHFFFAOYSA-N 0 3 328.460 2.497 10 10 EECEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c([O-])c1 ZINC000757657813 577862033 /nfs/dbraw/zinc/86/20/33/577862033.db2.gz QZIGTHWNGOGTNR-HOCLYGCPSA-N 0 3 342.443 2.276 10 10 EECEHN COC[C@@H](C)CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000188450723 684629385 /nfs/dbraw/zinc/62/93/85/684629385.db2.gz YITLIRRFSACSRE-AWEZNQCLSA-N 0 3 338.448 2.117 10 10 EECEHN CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C[C@H]1CCCCO1 ZINC001267233564 1178560001 /nfs/dbraw/zinc/56/00/01/1178560001.db2.gz QIHGRZNPLNHPBE-OAHLLOKOSA-N 0 3 347.419 2.080 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3cnc(C)cn3)CC2)cc1C ZINC001483713022 1190797282 /nfs/dbraw/zinc/79/72/82/1190797282.db2.gz CJJNOHJBJQYWJR-UHFFFAOYSA-N 0 3 340.427 2.154 10 10 EECEHN O=C(CC1(N2CCOCC2)CCCC1)NCc1c(O)cccc1F ZINC000928705235 1206413561 /nfs/dbraw/zinc/41/35/61/1206413561.db2.gz IANDCLIKAZUKHA-UHFFFAOYSA-N 0 3 336.407 2.183 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@@H](O)CCC1(O)CCC1)C[C@H]1CCCO1 ZINC000929973296 1206523883 /nfs/dbraw/zinc/52/38/83/1206523883.db2.gz YEKAGJAXIUEOKC-ZWKOTPCHSA-N 0 3 349.471 2.429 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)CCC1(O)CCC1)C[C@H]1CCCO1 ZINC000929973296 1206523885 /nfs/dbraw/zinc/52/38/85/1206523885.db2.gz YEKAGJAXIUEOKC-ZWKOTPCHSA-N 0 3 349.471 2.429 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3ccn(C)c3)CC2)cc1C ZINC001277036713 1300975424 /nfs/dbraw/zinc/97/54/24/1300975424.db2.gz MJSMKVHBQCGZDO-UHFFFAOYSA-N 0 3 327.428 2.394 10 10 EECEHN COc1c([O-])c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043958 1315827420 /nfs/dbraw/zinc/82/74/20/1315827420.db2.gz DUIBYEOZHBQNBB-GXTWGEPZSA-N 0 3 335.404 2.273 10 10 EECEHN C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc2ccccc2c1[O-] ZINC000843429677 1315914283 /nfs/dbraw/zinc/91/42/83/1315914283.db2.gz ZJMFPZRKXNHORT-AWEZNQCLSA-N 0 3 327.428 2.097 10 10 EECEHN CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2[O-])[NH+](C)C)cc1 ZINC001304768019 1331394909 /nfs/dbraw/zinc/39/49/09/1331394909.db2.gz JPHIICWIRPASPF-QGZVFWFLSA-N 0 3 327.428 2.491 10 10 EECEHN C[C@H]1Cc2n[nH]cc2CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001560144155 1342508240 /nfs/dbraw/zinc/50/82/40/1342508240.db2.gz UGNODBVKDZDLCP-HNNXBMFYSA-N 0 3 326.444 2.441 10 10 EECEHN C[C@H](N[C@H]1CNCCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000817978397 785126285 /nfs/dbraw/zinc/12/62/85/785126285.db2.gz AGLCWQRPIDKAST-LRDDRELGSA-N 0 3 343.393 2.310 10 10 EECEHN CC(=O)C(=O)COC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000808517067 812686851 /nfs/dbraw/zinc/68/68/51/812686851.db2.gz WQBFJTGVQJEEBJ-AWEZNQCLSA-N 0 3 347.411 2.255 10 10 EECEHN CC(=O)C(=O)COC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000808517071 812686945 /nfs/dbraw/zinc/68/69/45/812686945.db2.gz WQBFJTGVQJEEBJ-CQSZACIVSA-N 0 3 347.411 2.255 10 10 EECEHN CCOc1ccc(N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC001566562770 1125736527 /nfs/dbraw/zinc/73/65/27/1125736527.db2.gz NQFTUMWMFPOTEU-MRXNPFEDSA-N 0 3 331.460 2.076 10 10 EECEHN COc1ccc(CNC2(CNC(=O)CCc3cn[nH]c3)CC2)cc1C ZINC001499378128 1112260438 /nfs/dbraw/zinc/26/04/38/1112260438.db2.gz YUOWSURBDLRXKZ-UHFFFAOYSA-N 0 3 342.443 2.098 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H](C)C2CCC2)cc1C ZINC001507207243 1115151692 /nfs/dbraw/zinc/15/16/92/1115151692.db2.gz SZPWIZLKFWGFAO-WMLDXEAASA-N 0 3 334.460 2.007 10 10 EECEHN CCOc1cccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1[O-] ZINC000093011544 237040136 /nfs/dbraw/zinc/04/01/36/237040136.db2.gz FGBZHJYYSOGCGV-KRWDZBQOSA-N 0 3 334.460 2.478 10 10 EECEHN CCOc1cccc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c1[O-] ZINC000093011544 237040146 /nfs/dbraw/zinc/04/01/46/237040146.db2.gz FGBZHJYYSOGCGV-KRWDZBQOSA-N 0 3 334.460 2.478 10 10 EECEHN Cc1cc(O)c(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1C ZINC000131322356 237206298 /nfs/dbraw/zinc/20/62/98/237206298.db2.gz RWGMXTINALRZEX-INIZCTEOSA-N 0 3 338.473 2.009 10 10 EECEHN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN2CCC[C@H]2C1 ZINC000172631900 464121701 /nfs/dbraw/zinc/12/17/01/464121701.db2.gz QOGHNBHGRWAINK-SFHVURJKSA-N 0 3 326.444 2.052 10 10 EECEHN CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000271661274 464356393 /nfs/dbraw/zinc/35/63/93/464356393.db2.gz DJZUTLHFMPUADW-HOTGVXAUSA-N 0 3 328.416 2.362 10 10 EECEHN COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)OCCNC3)c1 ZINC000528723791 467739879 /nfs/dbraw/zinc/73/98/79/467739879.db2.gz XAIFLURZQQHAES-UHFFFAOYSA-N 0 3 343.383 2.205 10 10 EECEHN CC(=O)c1cc(F)cc(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1[O-] ZINC000872147171 1198054756 /nfs/dbraw/zinc/05/47/56/1198054756.db2.gz FGUJBWAEFPNKMO-GWCFXTLKSA-N 0 3 334.313 2.303 10 10 EECEHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(OCCO)CCOC2)c1[O-] ZINC000850505999 1277252857 /nfs/dbraw/zinc/25/28/57/1277252857.db2.gz APDKQLXVKWXWGH-BLLLJJGKSA-N 0 3 329.824 2.173 10 10 EECEHN CN(C)c1cc(F)c(CNCC(C)(C)[C@@]2(O)CCOC2)cc1F ZINC000858182054 1294036095 /nfs/dbraw/zinc/03/60/95/1294036095.db2.gz GCXYWUIXSPDNIB-QGZVFWFLSA-N 0 3 328.403 2.298 10 10 EECEHN Cc1cc([C@@H](N)CC(=O)NCCc2ccc(N)cc2)cc(Cl)n1 ZINC000841848010 1315622766 /nfs/dbraw/zinc/62/27/66/1315622766.db2.gz QCZKTZFHHWCLLF-HNNXBMFYSA-N 0 3 332.835 2.374 10 10 EECEHN Fc1cc(CN[C@H]2CO[C@@H](C3CC3)C2)cc(F)c1N1CCOCC1 ZINC001333583094 1336079432 /nfs/dbraw/zinc/07/94/32/1336079432.db2.gz QBIQLDCZMGLCHB-RHSMWYFYSA-N 0 3 338.398 2.459 10 10 EECEHN COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848531369 1338715189 /nfs/dbraw/zinc/71/51/89/1338715189.db2.gz QHWDZGWRKSQICI-OTYXRUKQSA-N 0 3 348.237 2.211 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](NC(C)=O)C2)c1[O-] ZINC000817364014 784742642 /nfs/dbraw/zinc/74/26/42/784742642.db2.gz BHVYROXGCQCTKW-AWEZNQCLSA-N 0 3 342.395 2.042 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](NC(C)=O)C2)c1[O-] ZINC000817364014 784742644 /nfs/dbraw/zinc/74/26/44/784742644.db2.gz BHVYROXGCQCTKW-AWEZNQCLSA-N 0 3 342.395 2.042 10 10 EECEHN [O-]c1cc(Br)ccc1C[NH2+]CCCCN1CCOCC1 ZINC000825119386 788445242 /nfs/dbraw/zinc/44/52/42/788445242.db2.gz AOIRRWUJHALRGV-UHFFFAOYSA-N 0 3 343.265 2.357 10 10 EECEHN COc1ccc(N2CCN(C(=O)CN3CCC34CCCC4)CC2)cc1 ZINC000844358242 789040523 /nfs/dbraw/zinc/04/05/23/789040523.db2.gz IKKMXORZSKBCIM-UHFFFAOYSA-N 0 3 343.471 2.362 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)C[C@H]2CC=CCC2)cc1C ZINC001507222794 1115155081 /nfs/dbraw/zinc/15/50/81/1115155081.db2.gz SMKPCTDWJFQMRW-FUHWJXTLSA-N 0 3 346.471 2.317 10 10 EECEHN CCOc1cccc(CN2CCCN(Cc3cnn(C)c3)CC2)c1O ZINC000121564045 463157743 /nfs/dbraw/zinc/15/77/43/463157743.db2.gz FXMXDIXJICRSPQ-UHFFFAOYSA-N 0 3 344.459 2.232 10 10 EECEHN CN1CCN(CCC[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294096764 464432196 /nfs/dbraw/zinc/43/21/96/464432196.db2.gz ZXZZAEKCVOBNGK-UHFFFAOYSA-N 0 3 329.847 2.254 10 10 EECEHN CN1CCN(CCC[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294096764 464432200 /nfs/dbraw/zinc/43/22/00/464432200.db2.gz ZXZZAEKCVOBNGK-UHFFFAOYSA-N 0 3 329.847 2.254 10 10 EECEHN CCN1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)CC1 ZINC000295323521 464789882 /nfs/dbraw/zinc/78/98/82/464789882.db2.gz LMFYMTHNBCVLSP-CQSZACIVSA-N 0 3 341.858 2.397 10 10 EECEHN CCN1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)CC1 ZINC000295323521 464789884 /nfs/dbraw/zinc/78/98/84/464789884.db2.gz LMFYMTHNBCVLSP-CQSZACIVSA-N 0 3 341.858 2.397 10 10 EECEHN Cc1ccc([C@@H](C)N[C@H]2CCN(C3CCOCC3)C2=O)c(O)c1C ZINC000368211177 466587935 /nfs/dbraw/zinc/58/79/35/466587935.db2.gz CEUVYVYPZORWEY-PBHICJAKSA-N 0 3 332.444 2.440 10 10 EECEHN COc1ccc(N(C)C(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)cc1Cl ZINC000662634265 472180630 /nfs/dbraw/zinc/18/06/30/472180630.db2.gz DSOLWXPWZTYCMW-JTQLQIEISA-N 0 3 334.807 2.425 10 10 EECEHN CC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000376020324 529296531 /nfs/dbraw/zinc/29/65/31/529296531.db2.gz FRJNLGYTKJICOB-VQTJNVASSA-N 0 3 346.471 2.293 10 10 EECEHN CNC(=O)C1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOCC1 ZINC000895883803 684760291 /nfs/dbraw/zinc/76/02/91/684760291.db2.gz JAVLVRDWPUMOKZ-UHFFFAOYSA-N 0 3 340.423 2.444 10 10 EECEHN CN(CCF)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267708948 1180230115 /nfs/dbraw/zinc/23/01/15/1180230115.db2.gz RYGZYVHDAGNQTB-GFCCVEGCSA-N 0 3 335.383 2.212 10 10 EECEHN COc1ccc(CNCC=CCNC(=O)c2n[nH]c(C)c2C)cc1C ZINC001268521211 1183170750 /nfs/dbraw/zinc/17/07/50/1183170750.db2.gz DTLFHKNBYHYTOU-AATRIKPKSA-N 0 3 342.443 2.419 10 10 EECEHN CC(C)OCCN(C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268758490 1183673758 /nfs/dbraw/zinc/67/37/58/1183673758.db2.gz DFWRARKPKOBBIW-CYBMUJFWSA-N 0 3 349.435 2.324 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929969986 1206523367 /nfs/dbraw/zinc/52/33/67/1206523367.db2.gz GSYLWXDZLFHVSV-DWRORGKVSA-N 0 3 333.428 2.177 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929969986 1206523369 /nfs/dbraw/zinc/52/33/69/1206523369.db2.gz GSYLWXDZLFHVSV-DWRORGKVSA-N 0 3 333.428 2.177 10 10 EECEHN CC(=O)c1cc(F)cc(CN2CC[NH2+]CCC23CCOCC3)c1[O-] ZINC000903813955 1242060812 /nfs/dbraw/zinc/06/08/12/1242060812.db2.gz DGMCUVOYIJBACF-UHFFFAOYSA-N 0 3 336.407 2.078 10 10 EECEHN CCOc1cccc(CN[C@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850353104 1277196151 /nfs/dbraw/zinc/19/61/51/1277196151.db2.gz SJNQOKZCLBNULE-HNNXBMFYSA-N 0 3 326.396 2.468 10 10 EECEHN CC[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccccc1[O-] ZINC000858465949 1294124257 /nfs/dbraw/zinc/12/42/57/1294124257.db2.gz RJAAFOZQGMRJPD-APWZRJJASA-N 0 3 334.460 2.049 10 10 EECEHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CN(Cc3ccncc3)CCO1)CC2 ZINC000858564150 1294155062 /nfs/dbraw/zinc/15/50/62/1294155062.db2.gz GCWYEKHODPJVPW-ZWKOTPCHSA-N 0 3 339.439 2.265 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)Cc2cc(C)on2)cc1C ZINC001320998435 1332994381 /nfs/dbraw/zinc/99/43/81/1332994381.db2.gz FAMWTWCQWNPZNR-PLNGDYQASA-N 0 3 343.427 2.305 10 10 EECEHN COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)C3CCCCC3)C2)cc1 ZINC001329937896 1334744851 /nfs/dbraw/zinc/74/48/51/1334744851.db2.gz PSAJTQUKUKEAHI-QAPCUYQASA-N 0 3 331.460 2.298 10 10 EECEHN CCCCC[C@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001647082916 1353131549 /nfs/dbraw/zinc/13/15/49/1353131549.db2.gz XLRVLOHFQHSTOF-ROUUACIJSA-N 0 3 335.492 2.413 10 10 EECEHN C[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1O ZINC001659815591 1354387609 /nfs/dbraw/zinc/38/76/09/1354387609.db2.gz NOZZPQAYFIWOPG-LBPRGKRZSA-N 0 3 325.368 2.028 10 10 EECEHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1[O-] ZINC000809710589 783327510 /nfs/dbraw/zinc/32/75/10/783327510.db2.gz UJUQWLCQDPKXKY-CQSZACIVSA-N 0 3 346.880 2.258 10 10 EECEHN CN(C)c1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)N(C)C)cc1 ZINC001456929101 1109370320 /nfs/dbraw/zinc/37/03/20/1109370320.db2.gz GIHLXPGRVDGMGX-INIZCTEOSA-N 0 3 345.403 2.022 10 10 EECEHN COc1cccc(CN2CCC(N(C)c3cccnn3)CC2)c1O ZINC000093272656 533475602 /nfs/dbraw/zinc/47/56/02/533475602.db2.gz LWPKKIGPMOGSTO-UHFFFAOYSA-N 0 3 328.416 2.292 10 10 EECEHN COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000278819212 463994950 /nfs/dbraw/zinc/99/49/50/463994950.db2.gz ZEMLFQQHMYGZQJ-CZUORRHYSA-N 0 3 343.851 2.200 10 10 EECEHN COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000278819212 463994953 /nfs/dbraw/zinc/99/49/53/463994953.db2.gz ZEMLFQQHMYGZQJ-CZUORRHYSA-N 0 3 343.851 2.200 10 10 EECEHN CCN(CC)c1ccc(CN2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000271209971 464289075 /nfs/dbraw/zinc/28/90/75/464289075.db2.gz XPXLDOZEDKAQBB-MRXNPFEDSA-N 0 3 339.505 2.033 10 10 EECEHN COc1ccc(O)c(CNC(=O)CCN2CCc3ccccc3C2)c1 ZINC000771625466 577222054 /nfs/dbraw/zinc/22/20/54/577222054.db2.gz JIGBUQTYZBDOOC-UHFFFAOYSA-N 0 3 340.423 2.465 10 10 EECEHN CCOC(=O)CN(Cc1ccc(N2CCN(C)CC2)cc1)C1CCC1 ZINC000768531109 577557882 /nfs/dbraw/zinc/55/78/82/577557882.db2.gz UEZNRWJBKODHLT-UHFFFAOYSA-N 0 3 345.487 2.356 10 10 EECEHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]3COCC[C@H]32)cc1 ZINC000757404853 577859542 /nfs/dbraw/zinc/85/95/42/577859542.db2.gz GBJBOTHQCPICPW-PKOBYXMFSA-N 0 3 345.487 2.212 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CCO[C@@H]2C)cc1C ZINC001483076658 1188436505 /nfs/dbraw/zinc/43/65/05/1188436505.db2.gz FPSIAJZMZLJYRF-XQJUWPJRSA-N 0 3 332.444 2.191 10 10 EECEHN COc1cc(O)c(CNCc2c3c(nn2C)CCCC3)cc1OC ZINC000812773520 1200906118 /nfs/dbraw/zinc/90/61/18/1200906118.db2.gz FMEDXEPPSDBGHF-UHFFFAOYSA-N 0 3 331.416 2.312 10 10 EECEHN C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccccc1O ZINC000867836399 1201691064 /nfs/dbraw/zinc/69/10/64/1201691064.db2.gz RPXGMBBLXXXHTM-ZDUSSCGKSA-N 0 3 334.441 2.493 10 10 EECEHN CO[C@]1(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CCS(=O)(=O)C1 ZINC000903364410 1240316817 /nfs/dbraw/zinc/31/68/17/1240316817.db2.gz WAUJGCQGFRUOJJ-NHYWBVRUSA-N 0 3 347.864 2.208 10 10 EECEHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1[O-] ZINC000858494128 1294133500 /nfs/dbraw/zinc/13/35/00/1294133500.db2.gz DCVKKJXZUUEGII-QXEWZRGKSA-N 0 3 327.222 2.378 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@@H]3CO[C@H](C)C3)CC2)cc1C ZINC001277102028 1301270709 /nfs/dbraw/zinc/27/07/09/1301270709.db2.gz OYTGFYANJPCIBH-ZBFHGGJFSA-N 0 3 332.444 2.167 10 10 EECEHN CN1CCN(c2ccc(CN3CCC(C4(O)CC4)CC3)cc2F)CC1 ZINC001326785539 1334159277 /nfs/dbraw/zinc/15/92/77/1334159277.db2.gz BLQQLQXLWOWQQU-UHFFFAOYSA-N 0 3 347.478 2.314 10 10 EECEHN C/C=C(/C)C(=O)N1CCC[C@](CO)(NCc2ccc(OC)c(C)c2)C1 ZINC001327553836 1334313850 /nfs/dbraw/zinc/31/38/50/1334313850.db2.gz DUTTWULKHABUNZ-YHOXVIFXSA-N 0 3 346.471 2.413 10 10 EECEHN O[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cn1 ZINC000818966684 785332076 /nfs/dbraw/zinc/33/20/76/785332076.db2.gz MSYUXJIKTQFKIU-SFHVURJKSA-N 0 3 349.381 2.020 10 10 EECEHN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H](O)C(F)F ZINC000824637289 788251215 /nfs/dbraw/zinc/25/12/15/788251215.db2.gz XGXCNZQAJKDFTP-HIFRSBDPSA-N 0 3 332.366 2.157 10 10 EECEHN COc1ccc(O)c([C@@H](C)NCc2cccc(N3CCOCC3)n2)c1 ZINC000274807195 464755485 /nfs/dbraw/zinc/75/54/85/464755485.db2.gz SZZDXBGEXSUQJF-CQSZACIVSA-N 0 3 343.427 2.483 10 10 EECEHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(OCC)ccc1O ZINC000364326256 466694038 /nfs/dbraw/zinc/69/40/38/466694038.db2.gz GASLKYRKJLQETC-GDBMZVCRSA-N 0 3 337.416 2.333 10 10 EECEHN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000116798376 533719417 /nfs/dbraw/zinc/71/94/17/533719417.db2.gz KMWFZYFRCNCOMV-LJQANCHMSA-N 0 3 341.455 2.497 10 10 EECEHN C[C@H](Cn1cncn1)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725849174 576069011 /nfs/dbraw/zinc/06/90/11/576069011.db2.gz JNIJHSVYOYISHN-CQSZACIVSA-N 0 3 344.419 2.355 10 10 EECEHN C[C@H]1C[C@@H]([NH2+]CCCN2CCCS2(=O)=O)c2c1c(F)ccc2[O-] ZINC000756686035 577848522 /nfs/dbraw/zinc/84/85/22/577848522.db2.gz HHDSSTVQIZGOTD-WCQYABFASA-N 0 3 342.436 2.095 10 10 EECEHN C[C@@H]1C[C@H]([NH2+]CCCN2CCCS2(=O)=O)c2c1c(F)ccc2[O-] ZINC000756686037 577848544 /nfs/dbraw/zinc/84/85/44/577848544.db2.gz HHDSSTVQIZGOTD-YPMHNXCESA-N 0 3 342.436 2.095 10 10 EECEHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)[C@@H](O)C1 ZINC000866494982 1201531587 /nfs/dbraw/zinc/53/15/87/1201531587.db2.gz KRJBHOUHHQUEAV-LZWOXQAQSA-N 0 3 348.443 2.339 10 10 EECEHN CCOc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c([O-])c1 ZINC000801734747 1236107437 /nfs/dbraw/zinc/10/74/37/1236107437.db2.gz JXHQRWBNVIHBHC-CRAIPNDOSA-N 0 3 335.444 2.448 10 10 EECEHN CCOc1cccc(CN[C@@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000850353105 1277195696 /nfs/dbraw/zinc/19/56/96/1277195696.db2.gz SJNQOKZCLBNULE-OAHLLOKOSA-N 0 3 326.396 2.468 10 10 EECEHN CN1CCN(c2ccc(CN3CCOCC4(CC4)C3)cc2F)CC1 ZINC001325202242 1333847125 /nfs/dbraw/zinc/84/71/25/1333847125.db2.gz VSXAJIKCNRYWSF-UHFFFAOYSA-N 0 3 333.451 2.190 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)[C@@H](C)C(C)(C)C)cc1C ZINC001676543650 1357162496 /nfs/dbraw/zinc/16/24/96/1357162496.db2.gz FMJXHNQELGSGFW-ZBFHGGJFSA-N 0 3 336.476 2.253 10 10 EECEHN O=C(Cc1ccc(O)c(O)c1)N1CCN(CC2CCCCC2)CC1 ZINC001598029260 1349934669 /nfs/dbraw/zinc/93/46/69/1349934669.db2.gz SWYMLUPVTWMVMN-UHFFFAOYSA-N 0 3 332.444 2.365 10 10 EECEHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1[O-] ZINC000809710588 783327548 /nfs/dbraw/zinc/32/75/48/783327548.db2.gz UJUQWLCQDPKXKY-AWEZNQCLSA-N 0 3 346.880 2.258 10 10 EECEHN CCC[C@@H](C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)N(C)C ZINC000153009089 462605514 /nfs/dbraw/zinc/60/55/14/462605514.db2.gz UNEMWCQPNITJLI-INIZCTEOSA-N 0 3 337.439 2.213 10 10 EECEHN COc1cccc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000120233006 462976962 /nfs/dbraw/zinc/97/69/62/462976962.db2.gz SJVHXQBWEKIRNM-OAHLLOKOSA-N 0 3 328.416 2.292 10 10 EECEHN COc1cccc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000120233006 462976966 /nfs/dbraw/zinc/97/69/66/462976966.db2.gz SJVHXQBWEKIRNM-OAHLLOKOSA-N 0 3 328.416 2.292 10 10 EECEHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCN(C)C)C1 ZINC000436459979 467536996 /nfs/dbraw/zinc/53/69/96/467536996.db2.gz MLDSWQUHDBOGQW-UHFFFAOYSA-N 0 3 342.487 2.086 10 10 EECEHN Oc1cc2c(cc1CNC[C@H](n1cccn1)C(F)(F)F)OCO2 ZINC000527747454 467664257 /nfs/dbraw/zinc/66/42/57/467664257.db2.gz XWLPCMZLLRTMSR-ZDUSSCGKSA-N 0 3 329.278 2.211 10 10 EECEHN CO[C@@H](C)CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000741054410 578112352 /nfs/dbraw/zinc/11/23/52/578112352.db2.gz NFRQYNUFIDPYDX-INIZCTEOSA-N 0 3 335.492 2.456 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)C[C@@H]2CCCO2)cc1C ZINC001268517468 1183166862 /nfs/dbraw/zinc/16/68/62/1183166862.db2.gz ZZLQLZOYGHSPNS-LIMHQNJXSA-N 0 3 332.444 2.335 10 10 EECEHN CO[C@]1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCS(=O)(=O)C1 ZINC000903364408 1240316518 /nfs/dbraw/zinc/31/65/18/1240316518.db2.gz WAUJGCQGFRUOJJ-ABAIWWIYSA-N 0 3 347.864 2.208 10 10 EECEHN COc1ccc(N2CC[C@@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000855231321 1293122203 /nfs/dbraw/zinc/12/22/03/1293122203.db2.gz KZHFDAVGZDGSDE-OWCLPIDISA-N 0 3 331.460 2.263 10 10 EECEHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CN(Cc3ccncc3)CCO1)CC2 ZINC000858564149 1294155024 /nfs/dbraw/zinc/15/50/24/1294155024.db2.gz GCWYEKHODPJVPW-ROUUACIJSA-N 0 3 339.439 2.265 10 10 EECEHN CN1CCN(c2ccc(CN3CCO[C@@]4(CCSC4)C3)cc2)CC1 ZINC000843417562 1315911474 /nfs/dbraw/zinc/91/14/74/1315911474.db2.gz IKTBNGRQLGAACW-IBGZPJMESA-N 0 3 347.528 2.146 10 10 EECEHN COc1cc(Br)cc([C@@H](C)[NH2+]CCOCCCO)c1[O-] ZINC001326848289 1334169889 /nfs/dbraw/zinc/16/98/89/1334169889.db2.gz ZQPMEYFRAMMBPY-SNVBAGLBSA-N 0 3 348.237 2.213 10 10 EECEHN C[C@@H]1CCN(CC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000847355784 1337974477 /nfs/dbraw/zinc/97/44/77/1337974477.db2.gz GPDGUASZEBPEIA-OAHLLOKOSA-N 0 3 333.501 2.198 10 10 EECEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CC(N)=O)c1[O-] ZINC000848534329 1338716652 /nfs/dbraw/zinc/71/66/52/1338716652.db2.gz ZFFRLKSJSUXWFN-SFYZADRCSA-N 0 3 331.210 2.078 10 10 EECEHN CCN1C[C@H](CN2CCCN(c3ccc(OC)cc3)CC2)OC1=O ZINC000846777288 790539168 /nfs/dbraw/zinc/53/91/68/790539168.db2.gz IBIZVJGGAVVXIK-KRWDZBQOSA-N 0 3 333.432 2.048 10 10 EECEHN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](O)C(F)F ZINC000824637290 788250780 /nfs/dbraw/zinc/25/07/80/788250780.db2.gz XGXCNZQAJKDFTP-UKRRQHHQSA-N 0 3 332.366 2.157 10 10 EECEHN COc1cc(O)c(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1OC ZINC000825124317 788447071 /nfs/dbraw/zinc/44/70/71/788447071.db2.gz MZQQGVGWTHKVAZ-OTYXRUKQSA-N 0 3 335.322 2.155 10 10 EECEHN CCc1occc1C(=O)NC[C@@H](CO)NCc1ccc(OC)c(C)c1 ZINC001507190595 1115149200 /nfs/dbraw/zinc/14/92/00/1115149200.db2.gz WTFJLEKNVOHXMI-HNNXBMFYSA-N 0 3 346.427 2.040 10 10 EECEHN CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000093011542 237039709 /nfs/dbraw/zinc/03/97/09/237039709.db2.gz FGBZHJYYSOGCGV-QGZVFWFLSA-N 0 3 334.460 2.478 10 10 EECEHN CCOc1cccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000093011542 237039715 /nfs/dbraw/zinc/03/97/15/237039715.db2.gz FGBZHJYYSOGCGV-QGZVFWFLSA-N 0 3 334.460 2.478 10 10 EECEHN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000175225563 464508057 /nfs/dbraw/zinc/50/80/57/464508057.db2.gz RHJVQTCJMRDQRC-IBGZPJMESA-N 0 3 338.455 2.219 10 10 EECEHN Cc1noc(CCN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000089518844 534404659 /nfs/dbraw/zinc/40/46/59/534404659.db2.gz MUFHYUYBZODNJH-LBPRGKRZSA-N 0 3 334.395 2.247 10 10 EECEHN CC(C)OC(=O)[C@@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775709515 577443345 /nfs/dbraw/zinc/44/33/45/577443345.db2.gz HUGPCFKEUXLJQN-IBGZPJMESA-N 0 3 345.487 2.354 10 10 EECEHN COc1cccc([O-])c1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000768856692 577564351 /nfs/dbraw/zinc/56/43/51/577564351.db2.gz LMWUTVPTWMLWLA-UHFFFAOYSA-N 0 3 328.416 2.318 10 10 EECEHN Cc1cc(O)c(CN2CCN(CCC(=O)N(C)C)CC2)cc1C(C)C ZINC000760415622 577662500 /nfs/dbraw/zinc/66/25/00/577662500.db2.gz UYAQFVHPBHQSOM-UHFFFAOYSA-N 0 3 347.503 2.420 10 10 EECEHN CN(C)c1ccc(CN(C)C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000328097420 683147271 /nfs/dbraw/zinc/14/72/71/683147271.db2.gz RGGUNSVXEOXCPU-FUHIMQAGSA-N 0 3 345.487 2.244 10 10 EECEHN O=C(NCc1c([O-])cccc1F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000928706886 1206413368 /nfs/dbraw/zinc/41/33/68/1206413368.db2.gz YONRHUHDFVFDBZ-CYBMUJFWSA-N 0 3 338.448 2.365 10 10 EECEHN CO[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)[C@H]1CCOC1 ZINC000851840855 1291877424 /nfs/dbraw/zinc/87/74/24/1291877424.db2.gz JVMRIKISGLGBJO-YQVWRLOYSA-N 0 3 335.444 2.425 10 10 EECEHN CO[C@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)[C@H]1CCOC1 ZINC000851840855 1291877437 /nfs/dbraw/zinc/87/74/37/1291877437.db2.gz JVMRIKISGLGBJO-YQVWRLOYSA-N 0 3 335.444 2.425 10 10 EECEHN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccnc(F)c3)cc2)C1 ZINC000858104722 1294007411 /nfs/dbraw/zinc/00/74/11/1294007411.db2.gz UVEHDXKKAXNWIA-MRXNPFEDSA-N 0 3 342.418 2.212 10 10 EECEHN COC[C@H](C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-])OC ZINC000848543856 1338718318 /nfs/dbraw/zinc/71/83/18/1338718318.db2.gz HTAFFCZZALTDKC-KOLCDFICSA-N 0 3 348.237 2.475 10 10 EECEHN C[C@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1[O-] ZINC001659815955 1354387758 /nfs/dbraw/zinc/38/77/58/1354387758.db2.gz ZOKADKFXBDVMNE-LBPRGKRZSA-N 0 3 327.384 2.171 10 10 EECEHN CCN1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@H](C)C1 ZINC000278229519 463958545 /nfs/dbraw/zinc/95/85/45/463958545.db2.gz MOGSSKGQTPZUMS-OCCSQVGLSA-N 0 3 337.420 2.471 10 10 EECEHN CCN1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@H](C)C1 ZINC000278229519 463958548 /nfs/dbraw/zinc/95/85/48/463958548.db2.gz MOGSSKGQTPZUMS-OCCSQVGLSA-N 0 3 337.420 2.471 10 10 EECEHN c1cc(N2CCOCC2)ccc1CN1CCS[C@@H]2COCC[C@H]21 ZINC000246457714 464586503 /nfs/dbraw/zinc/58/65/03/464586503.db2.gz NZIOENMMUXNXIY-QZTJIDSGSA-N 0 3 334.485 2.230 10 10 EECEHN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](F)[C@H](N)C3)ccc21 ZINC000662945297 472305690 /nfs/dbraw/zinc/30/56/90/472305690.db2.gz LZEILWNDUJTEHD-IAGOWNOFSA-N 0 3 347.434 2.416 10 10 EECEHN CN(C)CCOc1ccc(N(C)C(=O)/C=C\c2cnccn2)cc1 ZINC000732005886 577141782 /nfs/dbraw/zinc/14/17/82/577141782.db2.gz JQHNPBNMODLXNE-WTKPLQERSA-N 0 3 326.400 2.093 10 10 EECEHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCCC[C@@H]1C)cc2=O ZINC000734001263 577269714 /nfs/dbraw/zinc/26/97/14/577269714.db2.gz PDDGAWIBJOBJNK-LBPRGKRZSA-N 0 3 332.404 2.376 10 10 EECEHN Cc1ccnc(N)c1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000895334431 684503637 /nfs/dbraw/zinc/50/36/37/684503637.db2.gz MPCNCCPDQNSVLZ-UHFFFAOYSA-N 0 3 326.444 2.223 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CCO[C@@H]2C)cc1C ZINC001483076655 1188436558 /nfs/dbraw/zinc/43/65/58/1188436558.db2.gz FPSIAJZMZLJYRF-GWOVIKRFSA-N 0 3 332.444 2.191 10 10 EECEHN CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1ccccc1[O-])CO2 ZINC000827066521 1249734471 /nfs/dbraw/zinc/73/44/71/1249734471.db2.gz SHYABUGSYACNLB-AWEZNQCLSA-N 0 3 334.416 2.260 10 10 EECEHN CC[C@@H]1C[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000850322674 1277171656 /nfs/dbraw/zinc/17/16/56/1277171656.db2.gz CTFHYTACWGEETQ-ZIAGYGMSSA-N 0 3 326.387 2.459 10 10 EECEHN COCCCn1nccc1CN[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346898 1277193295 /nfs/dbraw/zinc/19/32/95/1277193295.db2.gz LFCSBHCOEZMKDO-MRXNPFEDSA-N 0 3 344.459 2.297 10 10 EECEHN COCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001264380128 1322683472 /nfs/dbraw/zinc/68/34/72/1322683472.db2.gz DADHDCJSVPVNQF-OAHLLOKOSA-N 0 3 347.419 2.032 10 10 EECEHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H](O)C2CCCCC2)N(C)C)cc1 ZINC001304769694 1331395988 /nfs/dbraw/zinc/39/59/88/1331395988.db2.gz XSBGPEPLDCAQBF-MOPGFXCFSA-N 0 3 347.503 2.413 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)C[C@@H]2CCOC2)cc1C ZINC001321016031 1332998696 /nfs/dbraw/zinc/99/86/96/1332998696.db2.gz XCAIBIWVXOGEPA-IDOMTICXSA-N 0 3 332.444 2.192 10 10 EECEHN COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c1[O-] ZINC001332020939 1335707415 /nfs/dbraw/zinc/70/74/15/1335707415.db2.gz FQGVHMJJNFABFR-LBPRGKRZSA-N 0 3 333.837 2.111 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C(N)=O)CC2)c1[O-] ZINC000070697701 779614441 /nfs/dbraw/zinc/61/44/41/779614441.db2.gz YCBUHOBEGLRVGE-UHFFFAOYSA-N 0 3 342.395 2.029 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3c(C)ncn3C)CC2)cc1C ZINC001499256368 1112203383 /nfs/dbraw/zinc/20/33/83/1112203383.db2.gz GJFIOQBDLSKIPP-UHFFFAOYSA-N 0 3 342.443 2.098 10 10 EECEHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000572964292 469031224 /nfs/dbraw/zinc/03/12/24/469031224.db2.gz FDYDSZXQCKGTSU-INIZCTEOSA-N 0 3 343.402 2.360 10 10 EECEHN COc1ccc(O)c(CNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000734070694 577276218 /nfs/dbraw/zinc/27/62/18/577276218.db2.gz ZKTNPYFDDSPJGF-OKILXGFUSA-N 0 3 335.448 2.463 10 10 EECEHN Cc1cc([O-])c(C[NH2+]C[C@@H](C)CN2CCN(C)CC2)c(Cl)c1 ZINC000840894904 683187404 /nfs/dbraw/zinc/18/74/04/683187404.db2.gz XVEVYRWJEPCIAI-CQSZACIVSA-N 0 3 325.884 2.327 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3cc[nH]c(=O)c3)CC2)cc1C ZINC001670767713 1180819439 /nfs/dbraw/zinc/81/94/39/1180819439.db2.gz KIQPFQCNCYUMFH-UHFFFAOYSA-N 0 3 341.411 2.156 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2ccnnc2C)cc1C ZINC001268562542 1183262210 /nfs/dbraw/zinc/26/22/10/1183262210.db2.gz ISNCGZAZRZLVPB-PLNGDYQASA-N 0 3 340.427 2.178 10 10 EECEHN C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCN1C ZINC000925314207 1206094713 /nfs/dbraw/zinc/09/47/13/1206094713.db2.gz RUEYSYBHSWYWGE-DJIMGWMZSA-N 0 3 347.459 2.175 10 10 EECEHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000246049171 1212013347 /nfs/dbraw/zinc/01/33/47/1212013347.db2.gz PHMCVJLBZIALPL-XCRHUMRWSA-N 0 3 348.443 2.221 10 10 EECEHN CCOCc1cc(CN[C@@H](C)C2(S(C)(=O)=O)CC2)ccc1OC ZINC000796490834 1219409776 /nfs/dbraw/zinc/40/97/76/1219409776.db2.gz OITWNFZYZQOTKG-ZDUSSCGKSA-N 0 3 341.473 2.287 10 10 EECEHN COc1cc(Cl)cc(CN[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000827164894 1250320478 /nfs/dbraw/zinc/32/04/78/1250320478.db2.gz RUTRXYFAFSUBBG-SKDRFNHKSA-N 0 3 333.837 2.110 10 10 EECEHN COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)c1[O-] ZINC000827164894 1250320486 /nfs/dbraw/zinc/32/04/86/1250320486.db2.gz RUTRXYFAFSUBBG-SKDRFNHKSA-N 0 3 333.837 2.110 10 10 EECEHN C[C@H](NC[C@@H]1CCC(=O)N1)c1ccc(N2CCOCC2)cc1Cl ZINC000850545780 1277264348 /nfs/dbraw/zinc/26/43/48/1277264348.db2.gz FREUSYPPZRYPOS-STQMWFEESA-N 0 3 337.851 2.106 10 10 EECEHN Cc1cc([O-])c(C[NH2+]Cc2ccc(N3CCNC(=O)C3)cc2)cc1C ZINC000170642672 463687566 /nfs/dbraw/zinc/68/75/66/463687566.db2.gz AMEMLPQOBGIUIM-UHFFFAOYSA-N 0 3 339.439 2.235 10 10 EECEHN COc1ccc(O)c([C@H](C)NCc2cccnc2-n2cncn2)c1 ZINC000185025441 463738497 /nfs/dbraw/zinc/73/84/97/463738497.db2.gz SSKVKIPIRKJLMA-LBPRGKRZSA-N 0 3 325.372 2.227 10 10 EECEHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)c1 ZINC000185025441 463738502 /nfs/dbraw/zinc/73/85/02/463738502.db2.gz SSKVKIPIRKJLMA-LBPRGKRZSA-N 0 3 325.372 2.227 10 10 EECEHN O=C(NCc1ccc(N2CCCC2)cc1)N1CCN2CCC1CC2 ZINC000367415611 490770753 /nfs/dbraw/zinc/77/07/53/490770753.db2.gz OXCPYPBSQISNJD-UHFFFAOYSA-N 0 3 328.460 2.276 10 10 EECEHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000757404848 577859545 /nfs/dbraw/zinc/85/95/45/577859545.db2.gz GBJBOTHQCPICPW-HKUYNNGSSA-N 0 3 345.487 2.212 10 10 EECEHN COC(=O)[C@H](CC(C)C)N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000814178751 1199327818 /nfs/dbraw/zinc/32/78/18/1199327818.db2.gz BWKAWXKMEYPQSO-IBGZPJMESA-N 0 3 347.503 2.458 10 10 EECEHN COCCCn1nccc1CN[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850346828 1277191135 /nfs/dbraw/zinc/19/11/35/1277191135.db2.gz LFCSBHCOEZMKDO-INIZCTEOSA-N 0 3 344.459 2.297 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2ccccn2)cc1C ZINC001320945189 1332984636 /nfs/dbraw/zinc/98/46/36/1332984636.db2.gz SRJDBYKAXQCSGG-WAYWQWQTSA-N 0 3 325.412 2.474 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2ncoc2C)cc1C ZINC001320987287 1332992224 /nfs/dbraw/zinc/99/22/24/1332992224.db2.gz YNGFUVYBDYMWIT-PLNGDYQASA-N 0 3 329.400 2.376 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)Cc2cc(C)on2)cc1C ZINC001320998436 1332994540 /nfs/dbraw/zinc/99/45/40/1332994540.db2.gz FAMWTWCQWNPZNR-SNAWJCMRSA-N 0 3 343.427 2.305 10 10 EECEHN Cc1cc(CN2CCN(c3nncn3C)CC2)c(O)c(C(C)(C)C)c1 ZINC000848498713 1338711268 /nfs/dbraw/zinc/71/12/68/1338711268.db2.gz YFUXPLSVTMVWEU-UHFFFAOYSA-N 0 3 343.475 2.449 10 10 EECEHN CO[C@](C)(CO)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000848558262 1338721072 /nfs/dbraw/zinc/72/10/72/1338721072.db2.gz LAAJPPKSRZIQQW-DYVFJYSZSA-N 0 3 342.867 2.225 10 10 EECEHN CC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000376020326 529396674 /nfs/dbraw/zinc/39/66/74/529396674.db2.gz FRJNLGYTKJICOB-WOJBJXKFSA-N 0 3 346.471 2.293 10 10 EECEHN CCC[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)N(C)C ZINC000136792579 463258049 /nfs/dbraw/zinc/25/80/49/463258049.db2.gz NMNPKAFPRWNOLF-QGZVFWFLSA-N 0 3 337.439 2.009 10 10 EECEHN CCN1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@@H](C)C1 ZINC000278229511 463957201 /nfs/dbraw/zinc/95/72/01/463957201.db2.gz MOGSSKGQTPZUMS-GXTWGEPZSA-N 0 3 337.420 2.471 10 10 EECEHN CCN1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@@H](C)C1 ZINC000278229511 463957206 /nfs/dbraw/zinc/95/72/06/463957206.db2.gz MOGSSKGQTPZUMS-GXTWGEPZSA-N 0 3 337.420 2.471 10 10 EECEHN COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1[O-] ZINC000194924877 463960298 /nfs/dbraw/zinc/96/02/98/463960298.db2.gz KIGBEGOJBKVKRC-CYBMUJFWSA-N 0 3 332.404 2.229 10 10 EECEHN COc1cccc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1[O-] ZINC000194924877 463960303 /nfs/dbraw/zinc/96/03/03/463960303.db2.gz KIGBEGOJBKVKRC-CYBMUJFWSA-N 0 3 332.404 2.229 10 10 EECEHN COc1c([O-])c(C[NH2+]C2CC(N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000369537309 466736912 /nfs/dbraw/zinc/73/69/12/466736912.db2.gz PKJKZSKZSRUAII-UHFFFAOYSA-N 0 3 335.404 2.416 10 10 EECEHN COc1c([O-])c(CNC2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000369537309 466736917 /nfs/dbraw/zinc/73/69/17/466736917.db2.gz PKJKZSKZSRUAII-UHFFFAOYSA-N 0 3 335.404 2.416 10 10 EECEHN CCN(C)c1ccc(CN2CCC(OCCC(=O)NC)CC2)cc1 ZINC000773752425 577362755 /nfs/dbraw/zinc/36/27/55/577362755.db2.gz BCXAZDIKLQGFRI-UHFFFAOYSA-N 0 3 333.476 2.260 10 10 EECEHN COCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000775647899 577441819 /nfs/dbraw/zinc/44/18/19/577441819.db2.gz GZCXKOZQGYGUOU-UHFFFAOYSA-N 0 3 340.851 2.329 10 10 EECEHN C[C@@H](NC(=O)NCCNc1ccncc1)c1ccc(N(C)C)cc1 ZINC000776240404 577455527 /nfs/dbraw/zinc/45/55/27/577455527.db2.gz VJFIIKFUFMMMBI-CQSZACIVSA-N 0 3 327.432 2.042 10 10 EECEHN CC[C@@H](OC)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000768912406 577565540 /nfs/dbraw/zinc/56/55/40/577565540.db2.gz YCAQPZVHNHLLEK-LJQANCHMSA-N 0 3 345.487 2.260 10 10 EECEHN COc1cc(N2CCN(Cc3cc(C)cc(C)c3O)CC2)ncn1 ZINC000185611308 1193212388 /nfs/dbraw/zinc/21/23/88/1193212388.db2.gz ZJFVTDIZINKTKD-UHFFFAOYSA-N 0 3 328.416 2.130 10 10 EECEHN COC1(OC)CC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000924762214 1206028706 /nfs/dbraw/zinc/02/87/06/1206028706.db2.gz YNAGVIYAFPCRDT-SFHVURJKSA-N 0 3 334.460 2.136 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929969988 1206523604 /nfs/dbraw/zinc/52/36/04/1206523604.db2.gz GSYLWXDZLFHVSV-VUHPKUFZSA-N 0 3 333.428 2.177 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929969988 1206523605 /nfs/dbraw/zinc/52/36/05/1206523605.db2.gz GSYLWXDZLFHVSV-VUHPKUFZSA-N 0 3 333.428 2.177 10 10 EECEHN COc1c([O-])c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043963 1315827544 /nfs/dbraw/zinc/82/75/44/1315827544.db2.gz DUIBYEOZHBQNBB-TZMCWYRMSA-N 0 3 335.404 2.273 10 10 EECEHN CCCN(CCC)c1ccc(CN(C)CC(=O)N2CCNCC2)cc1 ZINC000843047092 1315828895 /nfs/dbraw/zinc/82/88/95/1315828895.db2.gz NWQQXOGMKASSCU-UHFFFAOYSA-N 0 3 346.519 2.177 10 10 EECEHN Cc1[nH]cnc1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001596358827 1349906011 /nfs/dbraw/zinc/90/60/11/1349906011.db2.gz KHDCZYCQNSHEAJ-UHFFFAOYSA-N 0 3 330.457 2.130 10 10 EECEHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1sccc1C(N)=O ZINC001655349862 1354171126 /nfs/dbraw/zinc/17/11/26/1354171126.db2.gz WNKHIRITSCARGC-UWVGGRQHSA-N 0 3 333.413 2.230 10 10 EECEHN CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000284399361 464178137 /nfs/dbraw/zinc/17/81/37/464178137.db2.gz MZBNLWZQXSLTRS-CQSZACIVSA-N 0 3 336.432 2.290 10 10 EECEHN CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000284399361 464178148 /nfs/dbraw/zinc/17/81/48/464178148.db2.gz MZBNLWZQXSLTRS-CQSZACIVSA-N 0 3 336.432 2.290 10 10 EECEHN CCn1cc(CN2CCCN(Cc3cc(OC)ccc3O)CC2)cn1 ZINC000180112046 464243918 /nfs/dbraw/zinc/24/39/18/464243918.db2.gz ZLFGTWNTTBDRSY-UHFFFAOYSA-N 0 3 344.459 2.325 10 10 EECEHN COC(=O)/C=C/c1ccc(N(C)[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000266063663 464763714 /nfs/dbraw/zinc/76/37/14/464763714.db2.gz ZOVZPGWWXLTRJN-RCQQVGEISA-N 0 3 333.388 2.311 10 10 EECEHN Cc1ccc([C@H](C)N[C@H]2CCN(C3CCOCC3)C2=O)c(O)c1C ZINC000368211180 466588379 /nfs/dbraw/zinc/58/83/79/466588379.db2.gz CEUVYVYPZORWEY-YOEHRIQHSA-N 0 3 332.444 2.440 10 10 EECEHN Cc1ccc([O-])c(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 ZINC000093142938 534194607 /nfs/dbraw/zinc/19/46/07/534194607.db2.gz PGNAYUIOWZHYMW-UHFFFAOYSA-N 0 3 345.487 2.077 10 10 EECEHN COC(=O)/C=C\c1ccc(N(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC000728569440 576507157 /nfs/dbraw/zinc/50/71/57/576507157.db2.gz SFMDEVQRPIWTCN-VURMDHGXSA-N 0 3 333.388 2.313 10 10 EECEHN C[C@H](NCC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000775836997 577446952 /nfs/dbraw/zinc/44/69/52/577446952.db2.gz QAFNUCLTDJDWQL-KBXCAEBGSA-N 0 3 331.460 2.041 10 10 EECEHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(OCC)cc1[O-] ZINC000776014481 577450466 /nfs/dbraw/zinc/45/04/66/577450466.db2.gz RYFIPCBPJRPIPR-ZBFHGGJFSA-N 0 3 337.416 2.333 10 10 EECEHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(OCC)cc1[O-] ZINC000776014481 577450467 /nfs/dbraw/zinc/45/04/67/577450467.db2.gz RYFIPCBPJRPIPR-ZBFHGGJFSA-N 0 3 337.416 2.333 10 10 EECEHN O=S1(=O)C[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)Oc2ccccc21 ZINC000842883527 1315791677 /nfs/dbraw/zinc/79/16/77/1315791677.db2.gz KAAGOMZEJOQGJW-KGLIPLIRSA-N 0 3 345.420 2.204 10 10 EECEHN COc1cc(Br)cc([C@@H](C)[NH2+]C2COCCOC2)c1[O-] ZINC000848551233 1338720280 /nfs/dbraw/zinc/72/02/80/1338720280.db2.gz GWHYWMXGYXZEIE-SECBINFHSA-N 0 3 346.221 2.229 10 10 EECEHN COc1cc(Cl)cc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1[O-] ZINC000809703313 783318860 /nfs/dbraw/zinc/31/88/60/783318860.db2.gz IAMCGSAORFBWEZ-SECBINFHSA-N 0 3 333.837 2.110 10 10 EECEHN c1cnn(-c2ncccc2CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000040153241 132399193 /nfs/dbraw/zinc/39/91/93/132399193.db2.gz LQNFAMDOFBGJOJ-UHFFFAOYSA-N 0 3 349.438 2.394 10 10 EECEHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1C ZINC000042668004 463585997 /nfs/dbraw/zinc/58/59/97/463585997.db2.gz QBLGPVBQPAXKTL-INIZCTEOSA-N 0 3 332.444 2.080 10 10 EECEHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1C ZINC000042668004 463586000 /nfs/dbraw/zinc/58/60/00/463586000.db2.gz QBLGPVBQPAXKTL-INIZCTEOSA-N 0 3 332.444 2.080 10 10 EECEHN CN(C)c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000245584543 464496313 /nfs/dbraw/zinc/49/63/13/464496313.db2.gz ADRBBDJFUUUNHD-CABCVRRESA-N 0 3 334.439 2.270 10 10 EECEHN COc1ccc(O)c(CN2CCC(c3nc(N(C)C)no3)CC2)c1 ZINC000191908436 534199564 /nfs/dbraw/zinc/19/95/64/534199564.db2.gz PBDAPMSIGXZYBF-UHFFFAOYSA-N 0 3 332.404 2.229 10 10 EECEHN CCOCCN1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001481072257 1179675382 /nfs/dbraw/zinc/67/53/82/1179675382.db2.gz WNATWSWJWJDBBJ-HNNXBMFYSA-N 0 3 347.419 2.080 10 10 EECEHN CN1CCn2nc(NCc3c(O)cccc3Br)cc2C1 ZINC000865845655 1198401014 /nfs/dbraw/zinc/40/10/14/1198401014.db2.gz GWAMSTRSMWDALR-UHFFFAOYSA-N 0 3 337.221 2.409 10 10 EECEHN c1cc(CNCc2ccc(N3CCOCC3)cc2)n(-c2ccncc2)n1 ZINC000850070079 1277017645 /nfs/dbraw/zinc/01/76/45/1277017645.db2.gz SCFYGPBDGYSDLD-UHFFFAOYSA-N 0 3 349.438 2.394 10 10 EECEHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001158716917 1319396933 /nfs/dbraw/zinc/39/69/33/1319396933.db2.gz IPVFHWVAPABUMS-BNEJOLLZSA-N 0 3 333.476 2.143 10 10 EECEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@](C)(CO)OC)c1[O-] ZINC000848556201 1338720875 /nfs/dbraw/zinc/72/08/75/1338720875.db2.gz PVASXIYNYQFYDU-OTYXRUKQSA-N 0 3 348.237 2.211 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H](C)n2cccn2)cc1C ZINC001668721103 1355992620 /nfs/dbraw/zinc/99/26/20/1355992620.db2.gz UJQWKKWUXKQHGK-DWTRPJMMSA-N 0 3 342.443 2.223 10 10 EECEHN CN(C)c1cc(F)c(CNC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1F ZINC000922850907 802076683 /nfs/dbraw/zinc/07/66/83/802076683.db2.gz YPIGFYBHAVODIY-YHWZYXNKSA-N 0 3 344.427 2.229 10 10 EECEHN NC(=O)N[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000273150932 464706144 /nfs/dbraw/zinc/70/61/44/464706144.db2.gz HSFCUCUKTJPTRT-INIZCTEOSA-N 0 3 341.411 2.214 10 10 EECEHN C[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)N(C)C(=O)OC(C)(C)C ZINC000282679268 464908947 /nfs/dbraw/zinc/90/89/47/464908947.db2.gz KCZRQJXBUMXOCX-NSHDSACASA-N 0 3 338.404 2.466 10 10 EECEHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2nnnn2-c2ccccc2)c1 ZINC000775374842 577436174 /nfs/dbraw/zinc/43/61/74/577436174.db2.gz GMHXTBCDAPIBGX-CYBMUJFWSA-N 0 3 339.399 2.270 10 10 EECEHN C[C@@H](NC(=O)Nc1cnn(CCN(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775648117 577441837 /nfs/dbraw/zinc/44/18/37/577441837.db2.gz AUSYVHXPOKCNRA-CQSZACIVSA-N 0 3 344.463 2.393 10 10 EECEHN COc1ccc(O)c(CNCc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000184950406 1192479068 /nfs/dbraw/zinc/47/90/68/1192479068.db2.gz POLMAPSWPGWYRY-UHFFFAOYSA-N 0 3 347.390 2.061 10 10 EECEHN COC[C@H](C)N(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001691238852 1177754307 /nfs/dbraw/zinc/75/43/07/1177754307.db2.gz FLVJJNOMUOKRPP-LBPRGKRZSA-N 0 3 347.419 2.078 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CCO[C@H]2C)cc1C ZINC001483076657 1188436448 /nfs/dbraw/zinc/43/64/48/1188436448.db2.gz FPSIAJZMZLJYRF-XHRFTGCISA-N 0 3 332.444 2.191 10 10 EECEHN CCN(CC)c1ccc(CNC2CN(c3ccncn3)C2)cc1F ZINC000865748756 1198359452 /nfs/dbraw/zinc/35/94/52/1198359452.db2.gz BMFJDOYRYBSRIM-UHFFFAOYSA-N 0 3 329.423 2.440 10 10 EECEHN COC1(OC)CC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000924762213 1206028527 /nfs/dbraw/zinc/02/85/27/1206028527.db2.gz YNAGVIYAFPCRDT-GOSISDBHSA-N 0 3 334.460 2.136 10 10 EECEHN COc1ccc(N2CC[C@H](NCc3ccc(C(=O)N(C)C)[nH]3)C2)cc1 ZINC000850347854 1277191478 /nfs/dbraw/zinc/19/14/78/1277191478.db2.gz ZDJKHUCDRXWFIN-HNNXBMFYSA-N 0 3 342.443 2.094 10 10 EECEHN Cc1cc(C(=O)N2CCOC3(CNC3)C2)c(C)n1-c1cccc(C)c1 ZINC000853245827 1292339575 /nfs/dbraw/zinc/33/95/75/1292339575.db2.gz NHWAWKJZIJDFDM-UHFFFAOYSA-N 0 3 339.439 2.217 10 10 EECEHN CN1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000694754330 1304134729 /nfs/dbraw/zinc/13/47/29/1304134729.db2.gz RZYUISJPBWYXRU-LJQANCHMSA-N 0 3 325.456 2.298 10 10 EECEHN COc1c([O-])c(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088477 1315472294 /nfs/dbraw/zinc/47/22/94/1315472294.db2.gz XIEPPSKARHPCOC-JSGCOSHPSA-N 0 3 335.404 2.273 10 10 EECEHN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001540486962 1342326664 /nfs/dbraw/zinc/32/66/64/1342326664.db2.gz HSFZMRBKJAKWDV-INIZCTEOSA-N 0 3 326.396 2.031 10 10 EECEHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000922912718 788317223 /nfs/dbraw/zinc/31/72/23/788317223.db2.gz LFTBFUDARSUNON-MPGHIAIKSA-N 0 3 332.492 2.384 10 10 EECEHN CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000172125243 463994525 /nfs/dbraw/zinc/99/45/25/463994525.db2.gz NHRVGXIAZYBBPG-SFHVURJKSA-N 0 3 348.491 2.005 10 10 EECEHN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCN(C2CC2)CC1 ZINC000172631624 464121155 /nfs/dbraw/zinc/12/11/55/464121155.db2.gz JEPZCVYBLMFNPP-UHFFFAOYSA-N 0 3 340.471 2.443 10 10 EECEHN CCCOc1ccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c([O-])c1 ZINC000245753555 464512332 /nfs/dbraw/zinc/51/23/32/464512332.db2.gz OFYGNCMOUBROCJ-YJBOKZPZSA-N 0 3 334.460 2.334 10 10 EECEHN CCCOc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c([O-])c1 ZINC000245753555 464512340 /nfs/dbraw/zinc/51/23/40/464512340.db2.gz OFYGNCMOUBROCJ-YJBOKZPZSA-N 0 3 334.460 2.334 10 10 EECEHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000246446901 464585309 /nfs/dbraw/zinc/58/53/09/464585309.db2.gz OXTDLKOAAOGJRC-KDOFPFPSSA-N 0 3 341.459 2.332 10 10 EECEHN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccccc3[O-])C2=O)n(C)n1 ZINC000183662260 464893927 /nfs/dbraw/zinc/89/39/27/464893927.db2.gz PPBCLOOZXVTMNG-UKRRQHHQSA-N 0 3 328.416 2.280 10 10 EECEHN CNC(=O)[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000771985671 577243433 /nfs/dbraw/zinc/24/34/33/577243433.db2.gz CCUUSPZCJXNREX-KRWDZBQOSA-N 0 3 348.447 2.445 10 10 EECEHN O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)c1cnco1 ZINC000768914502 577565609 /nfs/dbraw/zinc/56/56/09/577565609.db2.gz XRZUFFYZJMULNR-UHFFFAOYSA-N 0 3 340.427 2.137 10 10 EECEHN O=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CC(F)C1 ZINC000753255253 577783930 /nfs/dbraw/zinc/78/39/30/577783930.db2.gz UIGNATPINBFEEJ-UHFFFAOYSA-N 0 3 346.450 2.082 10 10 EECEHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c([O-])c1 ZINC000757657806 577862041 /nfs/dbraw/zinc/86/20/41/577862041.db2.gz QZIGTHWNGOGTNR-GDBMZVCRSA-N 0 3 342.443 2.276 10 10 EECEHN CN1CCC(CNC(=O)c2cc([O-])cs2)([NH+]2CCCCC2)CC1 ZINC000743717942 577889276 /nfs/dbraw/zinc/88/92/76/577889276.db2.gz YTYPZGWSGMTKCC-UHFFFAOYSA-N 0 3 337.489 2.134 10 10 EECEHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)c1[O-] ZINC000866520236 1201539391 /nfs/dbraw/zinc/53/93/91/1201539391.db2.gz DUDGULUSABZPJQ-ZBEGNZNMSA-N 0 3 340.807 2.226 10 10 EECEHN [O-]c1cccc(Br)c1C[NH2+]CCCCN1CCOCC1 ZINC000858099484 1294005883 /nfs/dbraw/zinc/00/58/83/1294005883.db2.gz OTQVKSFNYQHUQP-UHFFFAOYSA-N 0 3 343.265 2.357 10 10 EECEHN NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccnc(F)c3)cc2)C1 ZINC000858104721 1294007512 /nfs/dbraw/zinc/00/75/12/1294007512.db2.gz UVEHDXKKAXNWIA-INIZCTEOSA-N 0 3 342.418 2.212 10 10 EECEHN CC[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1[O-] ZINC000858488735 1294131771 /nfs/dbraw/zinc/13/17/71/1294131771.db2.gz KLJQEUTVQJWQIQ-DZGCQCFKSA-N 0 3 338.415 2.150 10 10 EECEHN Cc1cc(Br)cc(CN2C[C@@H]3COC(=O)[C@@H]3C2)c1O ZINC000862547123 1295875914 /nfs/dbraw/zinc/87/59/14/1295875914.db2.gz ZHHBFSYSZOQYRY-ZYHUDNBSSA-N 0 3 326.190 2.068 10 10 EECEHN COc1ccc(N2CCCN(C[C@@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000799297270 1305217358 /nfs/dbraw/zinc/21/73/58/1305217358.db2.gz MBDHXXNCHBOEJP-LJQANCHMSA-N 0 3 345.418 2.475 10 10 EECEHN C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccccc1[O-] ZINC000842884876 1315792133 /nfs/dbraw/zinc/79/21/33/1315792133.db2.gz UVTUOKSKVASNLT-QWHCGFSZSA-N 0 3 333.409 2.278 10 10 EECEHN CC1(C(N)=O)CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000843416418 1315911487 /nfs/dbraw/zinc/91/14/87/1315911487.db2.gz RMEGQZXLHDSGCV-UHFFFAOYSA-N 0 3 326.396 2.278 10 10 EECEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)c1[O-] ZINC000848534327 1338716374 /nfs/dbraw/zinc/71/63/74/1338716374.db2.gz ZFFRLKSJSUXWFN-JGVFFNPUSA-N 0 3 331.210 2.078 10 10 EECEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2COC[C@H]2OC)c1[O-] ZINC000848552832 1338720538 /nfs/dbraw/zinc/72/05/38/1338720538.db2.gz OJQPWLUEKPIJLX-YDEJPDAXSA-N 0 3 346.221 2.228 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H](C)C(C)(C)C)cc1C ZINC001676543647 1357162587 /nfs/dbraw/zinc/16/25/87/1357162587.db2.gz FMJXHNQELGSGFW-GDBMZVCRSA-N 0 3 336.476 2.253 10 10 EECEHN CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001622704090 1352387947 /nfs/dbraw/zinc/38/79/47/1352387947.db2.gz WVMMWASHMQKZEJ-QGZVFWFLSA-N 0 3 340.423 2.373 10 10 EECEHN CNC(=O)[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(C)C ZINC000787324246 807088006 /nfs/dbraw/zinc/08/80/06/807088006.db2.gz RZPMHUUVTSVFTC-LBPRGKRZSA-N 0 3 329.238 2.323 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)C(C)(C)C2CC2)cc1C ZINC001507225682 1115155601 /nfs/dbraw/zinc/15/56/01/1115155601.db2.gz DZLXOVPULULHED-INIZCTEOSA-N 0 3 334.460 2.007 10 10 EECEHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367082205 466118388 /nfs/dbraw/zinc/11/83/88/466118388.db2.gz YNMVNSXIUCTULL-HXUWFJFHSA-N 0 3 345.487 2.214 10 10 EECEHN COc1ccc(N(C)C(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000662634266 472180453 /nfs/dbraw/zinc/18/04/53/472180453.db2.gz DSOLWXPWZTYCMW-SNVBAGLBSA-N 0 3 334.807 2.425 10 10 EECEHN CO[C@@H](C)CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001266622234 1177016646 /nfs/dbraw/zinc/01/66/46/1177016646.db2.gz VIUPOKUQBHOVLD-LBPRGKRZSA-N 0 3 347.419 2.078 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3ccncc3)CC2)cc1C ZINC001483712539 1190796513 /nfs/dbraw/zinc/79/65/13/1190796513.db2.gz ZIMOQLAHTMLRLU-UHFFFAOYSA-N 0 3 325.412 2.451 10 10 EECEHN CNC(=O)C[C@H](NCc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000796035693 1215261972 /nfs/dbraw/zinc/26/19/72/1215261972.db2.gz BDLJAFQKNMGTAF-HNNXBMFYSA-N 0 3 344.411 2.376 10 10 EECEHN C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(F)ccc1[O-] ZINC000850520175 1277259080 /nfs/dbraw/zinc/25/90/80/1277259080.db2.gz TUCIQHGRVHNGDN-MRVPVSSYSA-N 0 3 329.315 2.159 10 10 EECEHN COc1ccc(N2CC[C@@H](NC(=O)N(CCN(C)C)C(C)C)C2)cc1 ZINC000854299162 1292709901 /nfs/dbraw/zinc/70/99/01/1292709901.db2.gz FDWXKOAKAASLAN-MRXNPFEDSA-N 0 3 348.491 2.256 10 10 EECEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC000862484752 1295855303 /nfs/dbraw/zinc/85/53/03/1295855303.db2.gz ANHRRPHVYZBZME-ZIAGYGMSSA-N 0 3 346.880 2.304 10 10 EECEHN CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000694752645 1304134945 /nfs/dbraw/zinc/13/49/45/1304134945.db2.gz PALNMAYMXQURQR-IBGZPJMESA-N 0 3 343.446 2.437 10 10 EECEHN Cc1cc(Br)cc(C[NH2+]CCCc2ncn(C)n2)c1[O-] ZINC000843420243 1315912060 /nfs/dbraw/zinc/91/20/60/1315912060.db2.gz UFYGSLGQXBYMFP-UHFFFAOYSA-N 0 3 339.237 2.314 10 10 EECEHN CN(C)CCN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001292456260 1328415449 /nfs/dbraw/zinc/41/54/49/1328415449.db2.gz NGRXIHGHUAEQQD-UHFFFAOYSA-N 0 3 328.412 2.231 10 10 EECEHN C/C=C(\C)C(=O)N1CCC[C@@](CO)(NCc2ccc(OC)c(C)c2)C1 ZINC001327553835 1334313928 /nfs/dbraw/zinc/31/39/28/1334313928.db2.gz DUTTWULKHABUNZ-NINHTKBVSA-N 0 3 346.471 2.413 10 10 EECEHN C[C@@H]1CCN(CC(=O)NCc2cc(Br)ccc2O)C1 ZINC000848067772 1338481347 /nfs/dbraw/zinc/48/13/47/1338481347.db2.gz BHZBLBLXIMKJBC-SNVBAGLBSA-N 0 3 327.222 2.113 10 10 EECEHN Cc1cc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]n1 ZINC001558723023 1342487180 /nfs/dbraw/zinc/48/71/80/1342487180.db2.gz FNTDMNBSMVQWPC-SFHVURJKSA-N 0 3 343.475 2.136 10 10 EECEHN Cc1cc(C(=O)N(C)CCN(C)CCO)c(C)n1-c1cccc(C)c1 ZINC001642421895 1352731160 /nfs/dbraw/zinc/73/11/60/1352731160.db2.gz LSVVRIOQKNSZBU-UHFFFAOYSA-N 0 3 343.471 2.399 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3ocnc3C)CC2)cc1C ZINC001699649509 1405429415 /nfs/dbraw/zinc/42/94/15/1405429415.db2.gz RONKLAJOEWYOAB-UHFFFAOYSA-N 0 3 329.400 2.352 10 10 EECEHN O=C1O[C@@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1C1CC1 ZINC000844308022 789003846 /nfs/dbraw/zinc/00/38/46/789003846.db2.gz VYWCFQWAGHMROK-SJORKVTESA-N 0 3 346.427 2.356 10 10 EECEHN O=C1O[C@@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1C1CC1 ZINC000844308022 789003857 /nfs/dbraw/zinc/00/38/57/789003857.db2.gz VYWCFQWAGHMROK-SJORKVTESA-N 0 3 346.427 2.356 10 10 EECEHN CC(C)(CNS(C)(=O)=O)NCc1ccc(N2CCCCC2)cc1 ZINC000922637467 801556965 /nfs/dbraw/zinc/55/69/65/801556965.db2.gz FWQUNXKCEAOELJ-UHFFFAOYSA-N 0 3 339.505 2.094 10 10 EECEHN Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2=O)n(C)n1 ZINC000186328227 463977446 /nfs/dbraw/zinc/97/74/46/463977446.db2.gz NDMYGPAHBWEDSC-SWLSCSKDSA-N 0 3 346.406 2.419 10 10 EECEHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C)CC[C@H]1C)cc2=O ZINC000245454486 464483558 /nfs/dbraw/zinc/48/35/58/464483558.db2.gz SAWBIPMSOBYMCG-VXGBXAGGSA-N 0 3 332.404 2.232 10 10 EECEHN CNS(=O)(=O)CCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204869 577156635 /nfs/dbraw/zinc/15/66/35/577156635.db2.gz VDICOPILNMNBCI-UHFFFAOYSA-N 0 3 326.462 2.076 10 10 EECEHN CNS(=O)(=O)CCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204869 577156636 /nfs/dbraw/zinc/15/66/36/577156636.db2.gz VDICOPILNMNBCI-UHFFFAOYSA-N 0 3 326.462 2.076 10 10 EECEHN CC(C)[C@@H](C(=O)NCc1cc(Br)ccc1O)N(C)C ZINC000804738590 675611545 /nfs/dbraw/zinc/61/15/45/675611545.db2.gz WAKZWNKFDSMUML-ZDUSSCGKSA-N 0 3 329.238 2.357 10 10 EECEHN CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000866577325 1201552736 /nfs/dbraw/zinc/55/27/36/1201552736.db2.gz FQUZEVJDYDZZDV-ZDUSSCGKSA-N 0 3 334.441 2.194 10 10 EECEHN CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000856595107 1293575786 /nfs/dbraw/zinc/57/57/86/1293575786.db2.gz OASWTFOMWUZONZ-QGZVFWFLSA-N 0 3 335.379 2.046 10 10 EECEHN CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000856595107 1293575792 /nfs/dbraw/zinc/57/57/92/1293575792.db2.gz OASWTFOMWUZONZ-QGZVFWFLSA-N 0 3 335.379 2.046 10 10 EECEHN COC(=O)[C@]1(OC)CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000863295808 1296205286 /nfs/dbraw/zinc/20/52/86/1296205286.db2.gz FBLCIVNFBRJLSB-SFHVURJKSA-N 0 3 337.416 2.159 10 10 EECEHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1[O-] ZINC000843429167 1315913137 /nfs/dbraw/zinc/91/31/37/1315913137.db2.gz WKKKIPNKXYRBLE-INIZCTEOSA-N 0 3 329.824 2.321 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1C ZINC001331757066 1335067371 /nfs/dbraw/zinc/06/73/71/1335067371.db2.gz HPEJZMVKSPYJBR-GVDBMIGSSA-N 0 3 348.487 2.253 10 10 EECEHN C[C@H](NCC(=O)N1C[C@@H](C)OC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001351321151 1337808503 /nfs/dbraw/zinc/80/85/03/1337808503.db2.gz VKKZXGZESCTSDU-CABCVRRESA-N 0 3 333.476 2.429 10 10 EECEHN CCN1C[C@@H](CN(Cc2ccccc2O)C[C@@H]2CCCO2)OC1=O ZINC000846824067 790599827 /nfs/dbraw/zinc/59/98/27/790599827.db2.gz GSWCWPNJMFYXCI-JKSUJKDBSA-N 0 3 334.416 2.214 10 10 EECEHN COc1cc(O)c(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1OC ZINC000825124316 788447965 /nfs/dbraw/zinc/44/79/65/788447965.db2.gz MZQQGVGWTHKVAZ-LKFCYVNXSA-N 0 3 335.322 2.155 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2cnnc(C)c2)cc1C ZINC001568842470 1124861102 /nfs/dbraw/zinc/86/11/02/1124861102.db2.gz UFMJAOJSNUQGQG-SNAWJCMRSA-N 0 3 340.427 2.178 10 10 EECEHN CN(C)c1cc(CNCc2ccc(N3CCOCC3)cc2)ccn1 ZINC000048711420 462933199 /nfs/dbraw/zinc/93/31/99/462933199.db2.gz NUFGERJOUXEEPR-UHFFFAOYSA-N 0 3 326.444 2.274 10 10 EECEHN COC(=O)/C=C/c1ccc(N2CCCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000057857680 463524646 /nfs/dbraw/zinc/52/46/46/463524646.db2.gz MVIIUQPMRIGQHL-XBXARRHUSA-N 0 3 345.399 2.456 10 10 EECEHN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C)CC[C@@H]1C)cc2=O ZINC000072897556 463561840 /nfs/dbraw/zinc/56/18/40/463561840.db2.gz SAWBIPMSOBYMCG-NEPJUHHUSA-N 0 3 332.404 2.232 10 10 EECEHN COc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1[O-] ZINC000284899991 464384152 /nfs/dbraw/zinc/38/41/52/464384152.db2.gz FRKOCBBHHUEEAB-JSGCOSHPSA-N 0 3 331.840 2.302 10 10 EECEHN C[N@@H+]1C[C@H](C(=O)NCc2c([O-])cccc2F)[C@@H](c2ccccc2)C1 ZINC000928705020 1206413543 /nfs/dbraw/zinc/41/35/43/1206413543.db2.gz CCCOOYUHBRYCMT-CVEARBPZSA-N 0 3 328.387 2.493 10 10 EECEHN C[N@H+]1C[C@H](C(=O)NCc2c([O-])cccc2F)[C@@H](c2ccccc2)C1 ZINC000928705020 1206413545 /nfs/dbraw/zinc/41/35/45/1206413545.db2.gz CCCOOYUHBRYCMT-CVEARBPZSA-N 0 3 328.387 2.493 10 10 EECEHN COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000826967233 1248279173 /nfs/dbraw/zinc/27/91/73/1248279173.db2.gz INZTUTPLXJQFDE-FUHWJXTLSA-N 0 3 327.380 2.479 10 10 EECEHN COc1ccc(N2CC[C@@H](NC(=O)C[C@H](N)c3ccccc3)C2)cc1 ZINC000851639369 1277697322 /nfs/dbraw/zinc/69/73/22/1277697322.db2.gz DQHWVEAPDOVOKS-APWZRJJASA-N 0 3 339.439 2.480 10 10 EECEHN CCN(C(=O)NCCCSc1nccs1)[C@@H]1CCN(C)C1 ZINC000853854587 1292490283 /nfs/dbraw/zinc/49/02/83/1292490283.db2.gz BXTRXQWRQWAYSS-GFCCVEGCSA-N 0 3 328.507 2.361 10 10 EECEHN COc1c([O-])c(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088476 1315472430 /nfs/dbraw/zinc/47/24/30/1315472430.db2.gz XIEPPSKARHPCOC-GXTWGEPZSA-N 0 3 335.404 2.273 10 10 EECEHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Cc1ccc(O)c(O)c1 ZINC001142848294 1315770647 /nfs/dbraw/zinc/77/06/47/1315770647.db2.gz GNELFLCYNFGMRE-UHFFFAOYSA-N 0 3 346.402 2.370 10 10 EECEHN C[C@@H](NCC(=O)N1C[C@H](C)OC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001351321154 1337808613 /nfs/dbraw/zinc/80/86/13/1337808613.db2.gz VKKZXGZESCTSDU-LSDHHAIUSA-N 0 3 333.476 2.429 10 10 EECEHN C[C@@H](NC(=O)CN1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000847394312 1338023474 /nfs/dbraw/zinc/02/34/74/1338023474.db2.gz XLNOCZXLQGWQPC-HZPDHXFCSA-N 0 3 331.460 2.042 10 10 EECEHN C[C@@H](NC(=O)CN1CC[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000847394570 1338025351 /nfs/dbraw/zinc/02/53/51/1338025351.db2.gz XLNOCZXLQGWQPC-JKSUJKDBSA-N 0 3 331.460 2.042 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1[O-] ZINC000840133779 782337350 /nfs/dbraw/zinc/33/73/50/782337350.db2.gz RVPDNJBJGVYHTC-KBXCAEBGSA-N 0 3 340.423 2.468 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1[O-] ZINC000840133779 782337361 /nfs/dbraw/zinc/33/73/61/782337361.db2.gz RVPDNJBJGVYHTC-KBXCAEBGSA-N 0 3 340.423 2.468 10 10 EECEHN O=C(NCCCSc1nccs1)N1CC[C@@H](N2CC=CC2)C1 ZINC000154629285 768863261 /nfs/dbraw/zinc/86/32/61/768863261.db2.gz BLUVSVDABZYKIT-CYBMUJFWSA-N 0 3 338.502 2.281 10 10 EECEHN Cc1cc(Br)cc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c1[O-] ZINC000825130363 788450272 /nfs/dbraw/zinc/45/02/72/788450272.db2.gz WKYCVNFCQXANBB-SMDDNHRTSA-N 0 3 344.249 2.435 10 10 EECEHN Cc1cc(Br)cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c1[O-] ZINC000825130363 788450276 /nfs/dbraw/zinc/45/02/76/788450276.db2.gz WKYCVNFCQXANBB-SMDDNHRTSA-N 0 3 344.249 2.435 10 10 EECEHN COc1cc(Br)cc(C[NH2+]CCC(=O)NC(C)C)c1[O-] ZINC000089885223 462734303 /nfs/dbraw/zinc/73/43/03/462734303.db2.gz KJACPAXKGQZCAV-UHFFFAOYSA-N 0 3 345.237 2.168 10 10 EECEHN Cc1n[nH]c(C)c1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000097159347 463337343 /nfs/dbraw/zinc/33/73/43/463337343.db2.gz GJLFTRBKIJKIOE-INIZCTEOSA-N 0 3 341.459 2.018 10 10 EECEHN CN1CCCc2cc(CNC(=O)N3CC[C@@H](N4CC=CC4)C3)ccc21 ZINC000174446981 464408836 /nfs/dbraw/zinc/40/88/36/464408836.db2.gz YSMYLHXSTCMWDH-GOSISDBHSA-N 0 3 340.471 2.225 10 10 EECEHN CC(C)(C)N1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000761885191 577691041 /nfs/dbraw/zinc/69/10/41/577691041.db2.gz BZKXTDDYUOGQFL-UHFFFAOYSA-N 0 3 348.403 2.236 10 10 EECEHN CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C(=O)NCCN(C)C ZINC000756860349 577851807 /nfs/dbraw/zinc/85/18/07/577851807.db2.gz UMLASZHKLNXYIZ-BBRMVZONSA-N 0 3 339.455 2.274 10 10 EECEHN C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCN1C ZINC000925314212 1206094763 /nfs/dbraw/zinc/09/47/63/1206094763.db2.gz RUEYSYBHSWYWGE-OIISXLGYSA-N 0 3 347.459 2.175 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@H](O)C1(O)CCOCC1)C1CCCC1 ZINC000929636502 1206491957 /nfs/dbraw/zinc/49/19/57/1206491957.db2.gz SWHVXBMOAUBZRN-SFHVURJKSA-N 0 3 335.444 2.039 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@H](O)C1(O)CCOCC1)C1CCCC1 ZINC000929636502 1206491958 /nfs/dbraw/zinc/49/19/58/1206491958.db2.gz SWHVXBMOAUBZRN-SFHVURJKSA-N 0 3 335.444 2.039 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)Cc2cccnc2)cc1C ZINC001668780882 1356004310 /nfs/dbraw/zinc/00/43/10/1356004310.db2.gz WXUDLCYSMHRVRF-ARJAWSKDSA-N 0 3 339.439 2.403 10 10 EECEHN C[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000925791305 776571472 /nfs/dbraw/zinc/57/14/72/776571472.db2.gz LYMGFSKDUUYGNM-DGCLKSJQSA-N 0 3 326.387 2.480 10 10 EECEHN C[C@@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000925791305 776571514 /nfs/dbraw/zinc/57/15/14/776571514.db2.gz LYMGFSKDUUYGNM-DGCLKSJQSA-N 0 3 326.387 2.480 10 10 EECEHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c1[O-] ZINC000824455593 788191763 /nfs/dbraw/zinc/19/17/63/788191763.db2.gz UZTULKIHTPPTPP-LLVKDONJSA-N 0 3 340.807 2.328 10 10 EECEHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)c1[O-] ZINC000824455593 788191768 /nfs/dbraw/zinc/19/17/68/788191768.db2.gz UZTULKIHTPPTPP-LLVKDONJSA-N 0 3 340.807 2.328 10 10 EECEHN COc1cc(Cl)cc(CN2CC[C@@H](CN3CCOC3=O)C2)c1O ZINC000824455593 788191772 /nfs/dbraw/zinc/19/17/72/788191772.db2.gz UZTULKIHTPPTPP-LLVKDONJSA-N 0 3 340.807 2.328 10 10 EECEHN O=C1O[C@H](C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1C1CC1 ZINC000844308018 789004266 /nfs/dbraw/zinc/00/42/66/789004266.db2.gz VYWCFQWAGHMROK-IAGOWNOFSA-N 0 3 346.427 2.356 10 10 EECEHN O=C1O[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CN1C1CC1 ZINC000844308018 789004276 /nfs/dbraw/zinc/00/42/76/789004276.db2.gz VYWCFQWAGHMROK-IAGOWNOFSA-N 0 3 346.427 2.356 10 10 EECEHN COc1ccc(N(C)CCN(C)C[C@@H](O)c2ccc(F)cn2)cc1 ZINC000844400958 789066886 /nfs/dbraw/zinc/06/68/86/789066886.db2.gz GSMHEFGWQYGUGK-GOSISDBHSA-N 0 3 333.407 2.331 10 10 EECEHN COC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC001175419480 798101711 /nfs/dbraw/zinc/10/17/11/798101711.db2.gz VGMOLINIBOJZQP-GFCCVEGCSA-N 0 3 328.368 2.468 10 10 EECEHN CCN(CCO)CCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001467375050 1110454784 /nfs/dbraw/zinc/45/47/84/1110454784.db2.gz CGRXTIRLOABKNA-UHFFFAOYSA-N 0 3 343.471 2.447 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)[C@H]2CCCCO2)cc1C ZINC001568835686 1124854535 /nfs/dbraw/zinc/85/45/35/1124854535.db2.gz FBKCRLJXIHLKMU-PYTPGESOSA-N 0 3 332.444 2.335 10 10 EECEHN COc1ccsc1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000095427897 218369701 /nfs/dbraw/zinc/36/97/01/218369701.db2.gz UQRSYRWZTIMXIB-UHFFFAOYSA-N 0 3 349.431 2.235 10 10 EECEHN C[C@@H](O)CN1CCN(Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000120567636 463014011 /nfs/dbraw/zinc/01/40/11/463014011.db2.gz FACJTOGEKGVRSM-NWDGAFQWSA-N 0 3 343.265 2.042 10 10 EECEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000185552491 463843522 /nfs/dbraw/zinc/84/35/22/463843522.db2.gz WAWUJRSNXKZLQH-UONOGXRCSA-N 0 3 330.432 2.454 10 10 EECEHN COc1ccc([O-])c(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278731805 463978062 /nfs/dbraw/zinc/97/80/62/463978062.db2.gz QMBJAJWTVYDDOY-HNNXBMFYSA-N 0 3 330.432 2.201 10 10 EECEHN CCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c([O-])c1 ZINC000801734751 1236107632 /nfs/dbraw/zinc/10/76/32/1236107632.db2.gz JXHQRWBNVIHBHC-MAUKXSAKSA-N 0 3 335.444 2.448 10 10 EECEHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2COCCN2C)c1[O-] ZINC000858523390 1294143271 /nfs/dbraw/zinc/14/32/71/1294143271.db2.gz QWGHVNOZUDMBMO-AAEUAGOBSA-N 0 3 343.265 2.444 10 10 EECEHN COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000858542849 1294149654 /nfs/dbraw/zinc/14/96/54/1294149654.db2.gz YLDHHSIKVQJZFU-LLVKDONJSA-N 0 3 342.823 2.074 10 10 EECEHN COc1c([O-])c(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088478 1315472355 /nfs/dbraw/zinc/47/23/55/1315472355.db2.gz XIEPPSKARHPCOC-OCCSQVGLSA-N 0 3 335.404 2.273 10 10 EECEHN CN(C)CCn1nccc1C(=O)NCc1c(O)ccc2ccccc21 ZINC001304091076 1331377079 /nfs/dbraw/zinc/37/70/79/1331377079.db2.gz WGOFTSPVNOQKKM-UHFFFAOYSA-N 0 3 338.411 2.234 10 10 EECEHN O=[N+]([O-])c1cc(Cl)cc(CNC[C@@H]2C[NH2+]CCC2(F)F)c1[O-] ZINC000903955335 1331618694 /nfs/dbraw/zinc/61/86/94/1331618694.db2.gz PHUQTWBSEMVKPQ-VIFPVBQESA-N 0 3 335.738 2.288 10 10 EECEHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccnc(F)c2)N(C)C)cc1 ZINC001653421874 1354123326 /nfs/dbraw/zinc/12/33/26/1354123326.db2.gz UTYBLHGRPXTILK-KRWDZBQOSA-N 0 3 344.434 2.248 10 10 EECEHN C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC001655349642 1354171029 /nfs/dbraw/zinc/17/10/29/1354171029.db2.gz NTIURYVKRXMAOE-QWHCGFSZSA-N 0 3 332.356 2.391 10 10 EECEHN O=S1(=O)C[C@@H](CNCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000824517249 788198897 /nfs/dbraw/zinc/19/88/97/788198897.db2.gz RTIPZUNWJWUJLN-OAHLLOKOSA-N 0 3 329.421 2.282 10 10 EECEHN CN(c1ccc(CNC(=O)COC2(C)CNC2)cc1)C1CCCCC1 ZINC000844177184 788888497 /nfs/dbraw/zinc/88/84/97/788888497.db2.gz ALZRYRPAIYJVPV-UHFFFAOYSA-N 0 3 345.487 2.450 10 10 EECEHN COc1ccc(CNC2(CNC(=O)CCn3cccn3)CC2)cc1C ZINC001499161217 1112156238 /nfs/dbraw/zinc/15/62/38/1112156238.db2.gz NDJPVNIRNKLMTD-UHFFFAOYSA-N 0 3 342.443 2.029 10 10 EECEHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c([O-])c1 ZINC000527956661 317293361 /nfs/dbraw/zinc/29/33/61/317293361.db2.gz QXYMCDTZECZMEE-JXFKEZNVSA-N 0 3 348.487 2.275 10 10 EECEHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)c1cccnc1Cl ZINC000170676662 463693287 /nfs/dbraw/zinc/69/32/87/463693287.db2.gz AAJHVVYBFSVNFC-UHFFFAOYSA-N 0 3 348.809 2.214 10 10 EECEHN COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000278819191 463995591 /nfs/dbraw/zinc/99/55/91/463995591.db2.gz ZEMLFQQHMYGZQJ-BBRMVZONSA-N 0 3 343.851 2.200 10 10 EECEHN COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000278819191 463995595 /nfs/dbraw/zinc/99/55/95/463995595.db2.gz ZEMLFQQHMYGZQJ-BBRMVZONSA-N 0 3 343.851 2.200 10 10 EECEHN COc1ccc(O)c(CN[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000191807813 464826635 /nfs/dbraw/zinc/82/66/35/464826635.db2.gz NQJJNDDJZFFJAI-KRWDZBQOSA-N 0 3 344.386 2.431 10 10 EECEHN CCN1C(=O)N=NC1C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000377578822 467090936 /nfs/dbraw/zinc/09/09/36/467090936.db2.gz HKPZXERGOPLGLY-UHFFFAOYSA-N 0 3 329.448 2.449 10 10 EECEHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](CNc3ccccn3)C1)OCO2 ZINC000092812865 534447867 /nfs/dbraw/zinc/44/78/67/534447867.db2.gz NKZVMSHQENMDIK-ZDUSSCGKSA-N 0 3 327.384 2.450 10 10 EECEHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](CNc3ccccn3)C1)OCO2 ZINC000092812865 534447876 /nfs/dbraw/zinc/44/78/76/534447876.db2.gz NKZVMSHQENMDIK-ZDUSSCGKSA-N 0 3 327.384 2.450 10 10 EECEHN CN(C)c1ccc(CN(C)C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000328097427 683147307 /nfs/dbraw/zinc/14/73/07/683147307.db2.gz RGGUNSVXEOXCPU-MBOZVWFJSA-N 0 3 345.487 2.244 10 10 EECEHN COC(=O)c1c(CN(C)C2(CO)CCC2)c2cc(F)ccc2n1C ZINC000895357178 684536644 /nfs/dbraw/zinc/53/66/44/684536644.db2.gz JTDUJKNZDHXNIH-UHFFFAOYSA-N 0 3 334.391 2.451 10 10 EECEHN CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000866577324 1201552561 /nfs/dbraw/zinc/55/25/61/1201552561.db2.gz FQUZEVJDYDZZDV-CYBMUJFWSA-N 0 3 334.441 2.194 10 10 EECEHN C[NH+](C)CC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1cccnc1 ZINC000925920988 1206168700 /nfs/dbraw/zinc/16/87/00/1206168700.db2.gz LSHQMMCPMDVNEU-MRXNPFEDSA-N 0 3 346.406 2.419 10 10 EECEHN COc1ccc(N2CC[C@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC000855231161 1293122001 /nfs/dbraw/zinc/12/20/01/1293122001.db2.gz KZHFDAVGZDGSDE-JYJNAYRXSA-N 0 3 331.460 2.263 10 10 EECEHN COc1ccc(N2CC[C@H](CNCc3cncnc3OC)C2)cc1 ZINC000842714319 1315759738 /nfs/dbraw/zinc/75/97/38/1315759738.db2.gz OIBOJQAYQNTXOO-CQSZACIVSA-N 0 3 328.416 2.110 10 10 EECEHN CCOc1ccc(C[N@@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)c([O-])c1 ZINC000843432142 1315914265 /nfs/dbraw/zinc/91/42/65/1315914265.db2.gz IMYGOABDOSENHG-HNNXBMFYSA-N 0 3 346.349 2.291 10 10 EECEHN CCOc1ccc(C[N@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)c([O-])c1 ZINC000843432142 1315914267 /nfs/dbraw/zinc/91/42/67/1315914267.db2.gz IMYGOABDOSENHG-HNNXBMFYSA-N 0 3 346.349 2.291 10 10 EECEHN CCCCC[C@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001647082912 1353131624 /nfs/dbraw/zinc/13/16/24/1353131624.db2.gz XLRVLOHFQHSTOF-MSOLQXFVSA-N 0 3 335.492 2.413 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)Cc2[nH]cnc2C)cc1C ZINC001497734662 1102984885 /nfs/dbraw/zinc/98/48/85/1102984885.db2.gz PNXKISCCPRWNPP-SNAWJCMRSA-N 0 3 342.443 2.040 10 10 EECEHN CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054468690 214239601 /nfs/dbraw/zinc/23/96/01/214239601.db2.gz UXNUQIMRPHCZQC-AWEZNQCLSA-N 0 3 334.441 2.059 10 10 EECEHN CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054468690 214239604 /nfs/dbraw/zinc/23/96/04/214239604.db2.gz UXNUQIMRPHCZQC-AWEZNQCLSA-N 0 3 334.441 2.059 10 10 EECEHN O=C(CCNCc1ccc(N2CCOCC2)c(F)c1)N1CCCCC1 ZINC000066973245 215100412 /nfs/dbraw/zinc/10/04/12/215100412.db2.gz BKIMFPCECVMOEM-UHFFFAOYSA-N 0 3 349.450 2.155 10 10 EECEHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188662886 464336449 /nfs/dbraw/zinc/33/64/49/464336449.db2.gz BPFKLLFFAXEAJO-NWDGAFQWSA-N 0 3 345.212 2.203 10 10 EECEHN COc1cc([O-])c(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1OC ZINC000529671062 467893163 /nfs/dbraw/zinc/89/31/63/467893163.db2.gz YIYYFDVHAALPCK-OAHLLOKOSA-N 0 3 342.395 2.326 10 10 EECEHN CN(C)CCOc1ccc(N(C)C(=O)/C=C/c2cnccn2)cc1 ZINC000732005885 577141751 /nfs/dbraw/zinc/14/17/51/577141751.db2.gz JQHNPBNMODLXNE-RUDMXATFSA-N 0 3 326.400 2.093 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(OCC)cc1[O-] ZINC000776014477 577450529 /nfs/dbraw/zinc/45/05/29/577450529.db2.gz RYFIPCBPJRPIPR-GOEBONIOSA-N 0 3 337.416 2.333 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(OCC)cc1[O-] ZINC000776014477 577450530 /nfs/dbraw/zinc/45/05/30/577450530.db2.gz RYFIPCBPJRPIPR-GOEBONIOSA-N 0 3 337.416 2.333 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)C[C@H]2CCCO2)cc1C ZINC001268517466 1183165042 /nfs/dbraw/zinc/16/50/42/1183165042.db2.gz ZZLQLZOYGHSPNS-CWIOURORSA-N 0 3 332.444 2.335 10 10 EECEHN COc1ccc(N2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC001626479682 1193473414 /nfs/dbraw/zinc/47/34/14/1193473414.db2.gz MBHXGBNPPDMFMI-OAHLLOKOSA-N 0 3 331.460 2.122 10 10 EECEHN CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000862552301 1295878774 /nfs/dbraw/zinc/87/87/74/1295878774.db2.gz VRGMGJIQJDVLCY-LBPRGKRZSA-N 0 3 346.880 2.115 10 10 EECEHN CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000862552301 1295878786 /nfs/dbraw/zinc/87/87/86/1295878786.db2.gz VRGMGJIQJDVLCY-LBPRGKRZSA-N 0 3 346.880 2.115 10 10 EECEHN CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000862552301 1295878809 /nfs/dbraw/zinc/87/88/09/1295878809.db2.gz VRGMGJIQJDVLCY-LBPRGKRZSA-N 0 3 346.880 2.115 10 10 EECEHN Fc1cc(CN[C@H]2CO[C@H](C3CC3)C2)cc(F)c1N1CCOCC1 ZINC001333583092 1336079658 /nfs/dbraw/zinc/07/96/58/1336079658.db2.gz QBIQLDCZMGLCHB-PBHICJAKSA-N 0 3 338.398 2.459 10 10 EECEHN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001540486963 1342326648 /nfs/dbraw/zinc/32/66/48/1342326648.db2.gz HSFZMRBKJAKWDV-MRXNPFEDSA-N 0 3 326.396 2.031 10 10 EECEHN CNC(=O)[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000817413967 784766186 /nfs/dbraw/zinc/76/61/86/784766186.db2.gz ATXZTQRKOLZQBK-LBPRGKRZSA-N 0 3 329.366 2.339 10 10 EECEHN Cc1cc(Br)cc(C[NH2+]C2(CC(N)=O)CCC2)c1[O-] ZINC000789554347 808061404 /nfs/dbraw/zinc/06/14/04/808061404.db2.gz ORZJLGMSGDDUJV-UHFFFAOYSA-N 0 3 327.222 2.351 10 10 EECEHN CN1CCC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805184573 811175106 /nfs/dbraw/zinc/17/51/06/811175106.db2.gz OXZULUBILXQHEG-GFCCVEGCSA-N 0 3 342.237 2.048 10 10 EECEHN C[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccccc1[O-] ZINC000179879635 464202871 /nfs/dbraw/zinc/20/28/71/464202871.db2.gz PVALBECMDMJKAG-YJBOKZPZSA-N 0 3 326.440 2.462 10 10 EECEHN CCN(CC)c1ccc(CN2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000271209968 464288447 /nfs/dbraw/zinc/28/84/47/464288447.db2.gz XPXLDOZEDKAQBB-INIZCTEOSA-N 0 3 339.505 2.033 10 10 EECEHN CCOc1ccc([O-])c(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1 ZINC000529663913 467892019 /nfs/dbraw/zinc/89/20/19/467892019.db2.gz MZLKIZYYBMMHFD-UHFFFAOYSA-N 0 3 334.460 2.478 10 10 EECEHN CCCCOC[C@H](O)CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000193373706 528623585 /nfs/dbraw/zinc/62/35/85/528623585.db2.gz HTLGMQCYGCKRQB-GOSISDBHSA-N 0 3 336.476 2.385 10 10 EECEHN c1nc(CNCc2ccc(N3CCN(CC4CC4)CC3)cc2)co1 ZINC000758424324 577624453 /nfs/dbraw/zinc/62/44/53/577624453.db2.gz IJXVAEDUGLBBFZ-UHFFFAOYSA-N 0 3 326.444 2.496 10 10 EECEHN CCCN1CCC[C@@H]1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000753737592 577792513 /nfs/dbraw/zinc/79/25/13/577792513.db2.gz GUAHCUWOUPRUDW-QGZVFWFLSA-N 0 3 349.450 2.357 10 10 EECEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000757656934 577861959 /nfs/dbraw/zinc/86/19/59/577861959.db2.gz PPMANOJFNXDIDZ-GOEBONIOSA-N 0 3 342.443 2.276 10 10 EECEHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000757656934 577861960 /nfs/dbraw/zinc/86/19/60/577861960.db2.gz PPMANOJFNXDIDZ-GOEBONIOSA-N 0 3 342.443 2.276 10 10 EECEHN Cc1nc(CN2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000895263450 684407661 /nfs/dbraw/zinc/40/76/61/684407661.db2.gz ULQLRTQYAYFDFC-PLNGDYQASA-N 0 3 340.475 2.010 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)C2=CCCCCC2)cc1C ZINC001485990427 1193662060 /nfs/dbraw/zinc/66/20/60/1193662060.db2.gz UIJUHDFDLNOAMT-SFHVURJKSA-N 0 3 346.471 2.461 10 10 EECEHN C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccnnc1 ZINC000924727821 1206024858 /nfs/dbraw/zinc/02/48/58/1206024858.db2.gz GTWOPRDIANTPAN-PBHICJAKSA-N 0 3 339.443 2.029 10 10 EECEHN COc1ccc(N2CC[C@@H](CNCc3cc4n(n3)CCC4)C2)cc1 ZINC000850330731 1277176176 /nfs/dbraw/zinc/17/61/76/1277176176.db2.gz RUWASRDMGAXJHP-HNNXBMFYSA-N 0 3 326.444 2.454 10 10 EECEHN COc1ccc(N2CC[C@H](NC(=O)C[C@@H](N)c3ccccc3)C2)cc1 ZINC000851639371 1277697625 /nfs/dbraw/zinc/69/76/25/1277697625.db2.gz DQHWVEAPDOVOKS-QFBILLFUSA-N 0 3 339.439 2.480 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@H](O)CC1(O)CCC1)C[C@@H]1CCCO1 ZINC000859190074 1294344005 /nfs/dbraw/zinc/34/40/05/1294344005.db2.gz FDQZXEZBFSWHPG-SJORKVTESA-N 0 3 335.444 2.039 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@H](O)CC1(O)CCC1)C[C@@H]1CCCO1 ZINC000859190074 1294344011 /nfs/dbraw/zinc/34/40/11/1294344011.db2.gz FDQZXEZBFSWHPG-SJORKVTESA-N 0 3 335.444 2.039 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)C[C@@H]2CCOC2)cc1C ZINC001321016032 1332998841 /nfs/dbraw/zinc/99/88/41/1332998841.db2.gz XCAIBIWVXOGEPA-LIMHQNJXSA-N 0 3 332.444 2.192 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@H](OC)C3CC3)CC2)cc1C ZINC001569398263 1342864446 /nfs/dbraw/zinc/86/44/46/1342864446.db2.gz WILVIYHODRHTTE-QGZVFWFLSA-N 0 3 332.444 2.167 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2cc(C)nn2C)cc1C ZINC001668731491 1355994103 /nfs/dbraw/zinc/99/41/03/1355994103.db2.gz JWKDBQRGXSYGDL-WAYWQWQTSA-N 0 3 342.443 2.121 10 10 EECEHN CCOc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000093012168 237042329 /nfs/dbraw/zinc/04/23/29/237042329.db2.gz WQFFOACYAUQQSP-KRWDZBQOSA-N 0 3 334.460 2.478 10 10 EECEHN CCOc1ccc([O-])c(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000093012168 237042335 /nfs/dbraw/zinc/04/23/35/237042335.db2.gz WQFFOACYAUQQSP-KRWDZBQOSA-N 0 3 334.460 2.478 10 10 EECEHN CC[C@H](CO)N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093739666 463045817 /nfs/dbraw/zinc/04/58/17/463045817.db2.gz ZWJMGXOZXVDEKG-CQSZACIVSA-N 0 3 343.265 2.043 10 10 EECEHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1[O-] ZINC000184701698 465019901 /nfs/dbraw/zinc/01/99/01/465019901.db2.gz HCMQCCPVWMIDJP-DOMZBBRYSA-N 0 3 340.851 2.207 10 10 EECEHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1[O-] ZINC000184701698 465019904 /nfs/dbraw/zinc/01/99/04/465019904.db2.gz HCMQCCPVWMIDJP-DOMZBBRYSA-N 0 3 340.851 2.207 10 10 EECEHN COc1cc(Br)cc(C[NH2+]CCc2cnn(C)c2)c1[O-] ZINC000725848026 576067192 /nfs/dbraw/zinc/06/71/92/576067192.db2.gz SKCUKZMCFIQALJ-UHFFFAOYSA-N 0 3 340.221 2.229 10 10 EECEHN C[C@@H](Cn1cncn1)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725849173 576068992 /nfs/dbraw/zinc/06/89/92/576068992.db2.gz JNIJHSVYOYISHN-AWEZNQCLSA-N 0 3 344.419 2.355 10 10 EECEHN CN(C)c1ccc(CN(C)C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000328097432 683147076 /nfs/dbraw/zinc/14/70/76/683147076.db2.gz RGGUNSVXEOXCPU-SQGPQFPESA-N 0 3 345.487 2.244 10 10 EECEHN COC(=O)[C@@]1(O)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000895706581 684691150 /nfs/dbraw/zinc/69/11/50/684691150.db2.gz HFCRYZABWFLBNS-LJQANCHMSA-N 0 3 327.380 2.169 10 10 EECEHN COC(=O)[C@@]1(O)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000895706581 684691151 /nfs/dbraw/zinc/69/11/51/684691151.db2.gz HFCRYZABWFLBNS-LJQANCHMSA-N 0 3 327.380 2.169 10 10 EECEHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)[C@H](O)C1 ZINC000866494983 1201531966 /nfs/dbraw/zinc/53/19/66/1201531966.db2.gz KRJBHOUHHQUEAV-OFQRWUPVSA-N 0 3 348.443 2.339 10 10 EECEHN COc1ccc(N2CCCN(C(=O)N[C@H]3CCN(C)[C@H]3C)CC2)cc1 ZINC000925318236 1206095741 /nfs/dbraw/zinc/09/57/41/1206095741.db2.gz DLRHNTAHTGFKOQ-YJBOKZPZSA-N 0 3 346.475 2.010 10 10 EECEHN CN1CCN(c2ccc(CN3CCO[C@]4(CCSC4)C3)cc2)CC1 ZINC000843417563 1315911319 /nfs/dbraw/zinc/91/13/19/1315911319.db2.gz IKTBNGRQLGAACW-LJQANCHMSA-N 0 3 347.528 2.146 10 10 EECEHN CN1CCN(c2ccc(CN3CCO[C@@](C)(C(F)F)C3)cc2)CC1 ZINC001328019602 1334380073 /nfs/dbraw/zinc/38/00/73/1334380073.db2.gz PRPLTIJXEHPAIC-GOSISDBHSA-N 0 3 339.430 2.294 10 10 EECEHN CCc1occc1C(=O)NC[C@H](CO)NCc1ccc(OC)c(C)c1 ZINC001507190599 1115149393 /nfs/dbraw/zinc/14/93/93/1115149393.db2.gz WTFJLEKNVOHXMI-OAHLLOKOSA-N 0 3 346.427 2.040 10 10 EECEHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc2c(c1)CCN2C ZINC000328624497 465077707 /nfs/dbraw/zinc/07/77/07/465077707.db2.gz CKKYQXJOMOPXRS-WMZOPIPTSA-N 0 3 326.444 2.422 10 10 EECEHN Cc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000282882993 464986922 /nfs/dbraw/zinc/98/69/22/464986922.db2.gz CWWLOKAMASGEQG-KRWDZBQOSA-N 0 3 340.423 2.470 10 10 EECEHN CCC(C)(C)NC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775260576 577433804 /nfs/dbraw/zinc/43/38/04/577433804.db2.gz PLXDZIUYUWDVOZ-HNNXBMFYSA-N 0 3 333.476 2.479 10 10 EECEHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(OCC)cc1[O-] ZINC000776014475 577450490 /nfs/dbraw/zinc/45/04/90/577450490.db2.gz RYFIPCBPJRPIPR-GDBMZVCRSA-N 0 3 337.416 2.333 10 10 EECEHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(OCC)cc1[O-] ZINC000776014475 577450491 /nfs/dbraw/zinc/45/04/91/577450491.db2.gz RYFIPCBPJRPIPR-GDBMZVCRSA-N 0 3 337.416 2.333 10 10 EECEHN CC(=O)CCC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000768532064 577557905 /nfs/dbraw/zinc/55/79/05/577557905.db2.gz HTCDOQVCDGANEJ-UHFFFAOYSA-N 0 3 343.471 2.204 10 10 EECEHN CCOc1cccc(C[NH2+]CCC2CCS(=O)(=O)CC2)c1[O-] ZINC000768652164 577560338 /nfs/dbraw/zinc/56/03/38/577560338.db2.gz TVKWGASHAKUTGU-UHFFFAOYSA-N 0 3 327.446 2.095 10 10 EECEHN COc1cc(C)cc(CN[C@@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000895238125 684343278 /nfs/dbraw/zinc/34/32/78/684343278.db2.gz WLLSYMBFXDEPOX-OAHLLOKOSA-N 0 3 326.396 2.387 10 10 EECEHN COc1cccc(CNCc2nc(COc3ccccc3)n[nH]2)c1O ZINC000185757802 684487309 /nfs/dbraw/zinc/48/73/09/684487309.db2.gz YQBFWZPCBYEQLV-UHFFFAOYSA-N 0 3 340.383 2.388 10 10 EECEHN COc1ccc(O)c([C@@H](C)NCC(=O)N2C[C@H](C)OC(C)(C)C2)c1 ZINC000930217696 1206542388 /nfs/dbraw/zinc/54/23/88/1206542388.db2.gz ZIRZCJLQNZSAKM-QWHCGFSZSA-N 0 3 336.432 2.077 10 10 EECEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c1[O-] ZINC000850545674 1277264714 /nfs/dbraw/zinc/26/47/14/1277264714.db2.gz DLFSBNGQCFIMPO-WPRPVWTQSA-N 0 3 343.221 2.093 10 10 EECEHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@]1(C)CC[NH2+]C1 ZINC000843063263 1315832972 /nfs/dbraw/zinc/83/29/72/1315832972.db2.gz QNGLEUUIBMVDLQ-INIZCTEOSA-N 0 3 326.824 2.020 10 10 EECEHN O=C(NCCCSc1nccs1)N1CC[C@H](N2CC=CC2)C1 ZINC000154629181 768863760 /nfs/dbraw/zinc/86/37/60/768863760.db2.gz BLUVSVDABZYKIT-ZDUSSCGKSA-N 0 3 338.502 2.281 10 10 EECEHN COc1cc([O-])c(C[NH2+]CC2(O)Cc3ccccc3C2)cc1OC ZINC000362040538 466506979 /nfs/dbraw/zinc/50/69/79/466506979.db2.gz PSWHQYIHUCMNKI-UHFFFAOYSA-N 0 3 329.396 2.029 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(OCC)ccc1O ZINC000364326261 466694224 /nfs/dbraw/zinc/69/42/24/466694224.db2.gz GASLKYRKJLQETC-HOCLYGCPSA-N 0 3 337.416 2.333 10 10 EECEHN COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000775352236 577435776 /nfs/dbraw/zinc/43/57/76/577435776.db2.gz QMNGBKBVEJHNED-RYUDHWBXSA-N 0 3 336.388 2.077 10 10 EECEHN C[C@@H](NCC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000775837003 577446912 /nfs/dbraw/zinc/44/69/12/577446912.db2.gz QAFNUCLTDJDWQL-RDTXWAMCSA-N 0 3 331.460 2.041 10 10 EECEHN C[C@H](NC(=O)NCCNc1ccncc1)c1ccc(N(C)C)cc1 ZINC000776240403 577455471 /nfs/dbraw/zinc/45/54/71/577455471.db2.gz VJFIIKFUFMMMBI-AWEZNQCLSA-N 0 3 327.432 2.042 10 10 EECEHN COCC[NH+](CCOC)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000747451032 577944500 /nfs/dbraw/zinc/94/45/00/577944500.db2.gz JDTOTGSFDSEWJE-UHFFFAOYSA-N 0 3 347.411 2.427 10 10 EECEHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000749564961 577978234 /nfs/dbraw/zinc/97/82/34/577978234.db2.gz ZXWNTXUKYADBGH-QZTJIDSGSA-N 0 3 345.487 2.117 10 10 EECEHN CC[S@](=O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735084684 578133027 /nfs/dbraw/zinc/13/30/27/578133027.db2.gz PBDFARAZKZZFQN-QHCPKHFHSA-N 0 3 339.461 2.443 10 10 EECEHN COC(=O)c1c(CNC[C@@H](O)C2CCC2)c2cc(F)ccc2n1C ZINC000894941806 683423164 /nfs/dbraw/zinc/42/31/64/683423164.db2.gz NSDLWZNIKFWGDN-MRXNPFEDSA-N 0 3 334.391 2.355 10 10 EECEHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCN2CCC1CC2 ZINC000840481378 1315369125 /nfs/dbraw/zinc/36/91/25/1315369125.db2.gz DCSPQFGDXDIYEN-INIZCTEOSA-N 0 3 344.503 2.482 10 10 EECEHN CCN1CCN([C@@H](C)C[NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840877187 1315425478 /nfs/dbraw/zinc/42/54/78/1315425478.db2.gz YODIGMZOVLHHKN-AWEZNQCLSA-N 0 3 325.884 2.470 10 10 EECEHN O=C(CCNCc1ccc(N2CCOCC2)c(F)c1)NC1CCCC1 ZINC000066989071 462956264 /nfs/dbraw/zinc/95/62/64/462956264.db2.gz YWEMAQMFENOSER-UHFFFAOYSA-N 0 3 349.450 2.201 10 10 EECEHN COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000278819202 463994744 /nfs/dbraw/zinc/99/47/44/463994744.db2.gz ZEMLFQQHMYGZQJ-CJNGLKHVSA-N 0 3 343.851 2.200 10 10 EECEHN COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000278819202 463994747 /nfs/dbraw/zinc/99/47/47/463994747.db2.gz ZEMLFQQHMYGZQJ-CJNGLKHVSA-N 0 3 343.851 2.200 10 10 EECEHN COc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000284899989 464384644 /nfs/dbraw/zinc/38/46/44/464384644.db2.gz FRKOCBBHHUEEAB-GXTWGEPZSA-N 0 3 331.840 2.302 10 10 EECEHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC1CCN(C)CC1 ZINC000273314753 464711097 /nfs/dbraw/zinc/71/10/97/464711097.db2.gz XPUQLHOAQRSTIW-UHFFFAOYSA-N 0 3 345.487 2.214 10 10 EECEHN Cn1c(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)nc2c1cccc2F ZINC000113358904 534685312 /nfs/dbraw/zinc/68/53/12/534685312.db2.gz NVIKRWDEQRLPLQ-UHFFFAOYSA-N 0 3 343.358 2.479 10 10 EECEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1[O-] ZINC000776224373 577454963 /nfs/dbraw/zinc/45/49/63/577454963.db2.gz SVGICXJGDDLBKR-XHDPSFHLSA-N 0 3 348.834 2.371 10 10 EECEHN [O-]c1cc2c(cc1C[NH+]1CCC(C3CCOCC3)CC1)[C@@H](O)CO2 ZINC000768462878 577556342 /nfs/dbraw/zinc/55/63/42/577556342.db2.gz OOULBLBGVJCDFX-SFHVURJKSA-N 0 3 333.428 2.457 10 10 EECEHN CC[C@H](OC)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000768912404 577565570 /nfs/dbraw/zinc/56/55/70/577565570.db2.gz YCAQPZVHNHLLEK-IBGZPJMESA-N 0 3 345.487 2.260 10 10 EECEHN COc1ccc([O-])c([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000756780296 577850109 /nfs/dbraw/zinc/85/01/09/577850109.db2.gz QQHBBLDGWYTLIT-LBPRGKRZSA-N 0 3 327.446 2.266 10 10 EECEHN CC(C)[C@H](C(=O)NCc1cc(Br)ccc1O)N(C)C ZINC000804738589 675611621 /nfs/dbraw/zinc/61/16/21/675611621.db2.gz WAKZWNKFDSMUML-CYBMUJFWSA-N 0 3 329.238 2.357 10 10 EECEHN COC(=O)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000933168228 676496385 /nfs/dbraw/zinc/49/63/85/676496385.db2.gz ZBEUMGZXUVEKPS-NVXWUHKLSA-N 0 3 332.444 2.297 10 10 EECEHN COC(=O)c1c(CN[C@H](C)C2(CO)CC2)c2cc(F)ccc2n1C ZINC000895255040 684394225 /nfs/dbraw/zinc/39/42/25/684394225.db2.gz YYCNEGVJGLVXHK-LLVKDONJSA-N 0 3 334.391 2.355 10 10 EECEHN CCn1cnc(C(=O)NC/C=C/CNCc2ccc(OC)c(C)c2)c1 ZINC001274511225 1205063636 /nfs/dbraw/zinc/06/36/36/1205063636.db2.gz OPQRGHGUULOAIO-AATRIKPKSA-N 0 3 342.443 2.296 10 10 EECEHN CCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCN(C)C1 ZINC000853775738 1292447046 /nfs/dbraw/zinc/44/70/46/1292447046.db2.gz AJAABXOCGSNUEL-GOSISDBHSA-N 0 3 328.460 2.298 10 10 EECEHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2COCCN2C)c1[O-] ZINC000858523392 1294143179 /nfs/dbraw/zinc/14/31/79/1294143179.db2.gz QWGHVNOZUDMBMO-WCQYABFASA-N 0 3 343.265 2.444 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CCOC[C@@H]2C)cc1C ZINC001321235753 1333051269 /nfs/dbraw/zinc/05/12/69/1333051269.db2.gz LLQRMOQWUVKECK-HRMTXBTBSA-N 0 3 346.471 2.438 10 10 EECEHN COc1ccc(CNCC=CCNC(=O)c2[nH]c(C)nc2C)cc1C ZINC001321249877 1333055230 /nfs/dbraw/zinc/05/52/30/1333055230.db2.gz CTZKCYYCSGTMBY-WAYWQWQTSA-N 0 3 342.443 2.419 10 10 EECEHN COc1cc(Br)cc([C@H](C)[NH2+]CCCOCCO)c1[O-] ZINC000848543505 1338718354 /nfs/dbraw/zinc/71/83/54/1338718354.db2.gz GNQRKEOQBUMLIY-JTQLQIEISA-N 0 3 348.237 2.213 10 10 EECEHN COc1cccc([O-])c1C[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000789767726 808171680 /nfs/dbraw/zinc/17/16/80/808171680.db2.gz CXCGJAJDWOQWPF-UHFFFAOYSA-N 0 3 328.416 2.292 10 10 EECEHN COc1cccc([O-])c1C[N@@H+](C)C1CCN(c2cnccn2)CC1 ZINC000789767726 808171686 /nfs/dbraw/zinc/17/16/86/808171686.db2.gz CXCGJAJDWOQWPF-UHFFFAOYSA-N 0 3 328.416 2.292 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)C2CC(OC)C2)cc1C ZINC001568866982 1124892321 /nfs/dbraw/zinc/89/23/21/1124892321.db2.gz JVUZFUKDRQMFCM-PLNGDYQASA-N 0 3 332.444 2.191 10 10 EECEHN COC[C@@](C)(CCO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000271773325 464380458 /nfs/dbraw/zinc/38/04/58/464380458.db2.gz BYQNKJGOTUPMEC-CQSZACIVSA-N 0 3 332.238 2.340 10 10 EECEHN COc1cccc(CN[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1O ZINC000191762707 464826423 /nfs/dbraw/zinc/82/64/23/464826423.db2.gz CQSKLIWITHEBIR-INIZCTEOSA-N 0 3 344.386 2.431 10 10 EECEHN COC(=O)/C=C/c1ccc(N2CCN3CCC2CC3)c([N+](=O)[O-])c1 ZINC000302784913 466186440 /nfs/dbraw/zinc/18/64/40/466186440.db2.gz UZFFRHHHAZAHPM-HWKANZROSA-N 0 3 331.372 2.065 10 10 EECEHN COc1ccc(O)c(CN2CCC(C(=O)Nc3nncs3)CC2)c1 ZINC000377722517 467126307 /nfs/dbraw/zinc/12/63/07/467126307.db2.gz VSVJILBVKKVQQX-UHFFFAOYSA-N 0 3 348.428 2.103 10 10 EECEHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1 ZINC000377722517 467126310 /nfs/dbraw/zinc/12/63/10/467126310.db2.gz VSVJILBVKKVQQX-UHFFFAOYSA-N 0 3 348.428 2.103 10 10 EECEHN CN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCN(C2CC2)C1 ZINC000732456329 577181221 /nfs/dbraw/zinc/18/12/21/577181221.db2.gz HDIWNYNYTFHLED-SFHVURJKSA-N 0 3 342.487 2.447 10 10 EECEHN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000734687466 577318441 /nfs/dbraw/zinc/31/84/41/577318441.db2.gz CQUBLMFPFXNQGK-SFHVURJKSA-N 0 3 330.476 2.439 10 10 EECEHN [O-]c1cc2c(cc1C[NH+]1CCC(C3CCOCC3)CC1)[C@H](O)CO2 ZINC000768462877 577556264 /nfs/dbraw/zinc/55/62/64/577556264.db2.gz OOULBLBGVJCDFX-GOSISDBHSA-N 0 3 333.428 2.457 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)C2=CCCCCC2)cc1C ZINC001485990425 1193662246 /nfs/dbraw/zinc/66/22/46/1193662246.db2.gz UIJUHDFDLNOAMT-GOSISDBHSA-N 0 3 346.471 2.461 10 10 EECEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c1[O-] ZINC000850545671 1277264978 /nfs/dbraw/zinc/26/49/78/1277264978.db2.gz DLFSBNGQCFIMPO-SCZZXKLOSA-N 0 3 343.221 2.093 10 10 EECEHN CCc1noc(C[C@]2(O)CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC000856594604 1293576712 /nfs/dbraw/zinc/57/67/12/1293576712.db2.gz WETLWDYEUNDQCX-LJQANCHMSA-N 0 3 344.459 2.268 10 10 EECEHN CC[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(C)cc1[O-] ZINC000858465379 1294124659 /nfs/dbraw/zinc/12/46/59/1294124659.db2.gz FBRHPPFAUZTREJ-YLJYHZDGSA-N 0 3 348.487 2.357 10 10 EECEHN Cc1nc(CN2CCN(Cc3ccc(N4CCCC4)cc3)CC2)n[nH]1 ZINC001119497038 1309089379 /nfs/dbraw/zinc/08/93/79/1309089379.db2.gz XMBNVWTZAXFLBN-UHFFFAOYSA-N 0 3 340.475 2.031 10 10 EECEHN CCN(C)c1ccc(CN2CCC(O)(c3ccnn3C)CC2)cc1 ZINC001648212503 1353420498 /nfs/dbraw/zinc/42/04/98/1353420498.db2.gz RDOCBURBBIDEGV-UHFFFAOYSA-N 0 3 328.460 2.360 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)[C@H](C)n2cccn2)cc1C ZINC001668721102 1355992488 /nfs/dbraw/zinc/99/24/88/1355992488.db2.gz UJQWKKWUXKQHGK-AWFCHZOYSA-N 0 3 342.443 2.223 10 10 EECEHN CN1CCC[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000919657380 770160007 /nfs/dbraw/zinc/16/00/07/770160007.db2.gz JPHJLPOYKUQOEU-DLBZAZTESA-N 0 3 347.459 2.177 10 10 EECEHN CCN1C[C@H](CN(Cc2ccccc2O)C[C@@H]2CCCO2)OC1=O ZINC000846824065 790599075 /nfs/dbraw/zinc/59/90/75/790599075.db2.gz GSWCWPNJMFYXCI-HOTGVXAUSA-N 0 3 334.416 2.214 10 10 EECEHN C[C@@H](N[C@H]1CNCCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000817978399 785126581 /nfs/dbraw/zinc/12/65/81/785126581.db2.gz AGLCWQRPIDKAST-WBMJQRKESA-N 0 3 343.393 2.310 10 10 EECEHN C[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000818362126 785256141 /nfs/dbraw/zinc/25/61/41/785256141.db2.gz PPPUPAFZVRDUHA-YOEHRIQHSA-N 0 3 329.444 2.475 10 10 EECEHN CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000172125238 463994268 /nfs/dbraw/zinc/99/42/68/463994268.db2.gz NHRVGXIAZYBBPG-GOSISDBHSA-N 0 3 348.491 2.005 10 10 EECEHN C[C@@H]1CC[C@](CO)(N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000187929711 464174182 /nfs/dbraw/zinc/17/41/82/464174182.db2.gz SPWKQZDNDWRXGT-UZLBHIALSA-N 0 3 347.503 2.194 10 10 EECEHN Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)NCCCO)CC2)c1[O-] ZINC000271716059 464370149 /nfs/dbraw/zinc/37/01/49/464370149.db2.gz IOHHSQFIRPQFHW-UHFFFAOYSA-N 0 3 340.851 2.065 10 10 EECEHN COc1ccc(N2CCN(C(=O)CN3CCCC34CCC4)CC2)cc1 ZINC000769984592 577588470 /nfs/dbraw/zinc/58/84/70/577588470.db2.gz QQNCCTLNFCVLHO-UHFFFAOYSA-N 0 3 343.471 2.362 10 10 EECEHN CC(C)OCCN(C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268758491 1183673701 /nfs/dbraw/zinc/67/37/01/1183673701.db2.gz DFWRARKPKOBBIW-ZDUSSCGKSA-N 0 3 349.435 2.324 10 10 EECEHN CN(C)CCN(Cc1ccsc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001626148635 1224103382 /nfs/dbraw/zinc/10/33/82/1224103382.db2.gz PWURTXHHHITTCQ-UHFFFAOYSA-N 0 3 334.441 2.292 10 10 EECEHN COc1ccc(CNC2(CNC(=O)Cc3cnc(C)o3)CC2)cc1C ZINC001483740651 1190889522 /nfs/dbraw/zinc/88/95/22/1190889522.db2.gz NIZDZCUHHSRESF-UHFFFAOYSA-N 0 3 343.427 2.281 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3[nH]c(C)nc3C)CC2)cc1C ZINC001483767547 1191001153 /nfs/dbraw/zinc/00/11/53/1191001153.db2.gz CTHLXSLFELSSPJ-UHFFFAOYSA-N 0 3 342.443 2.396 10 10 EECEHN CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653927 1201196024 /nfs/dbraw/zinc/19/60/24/1201196024.db2.gz YJGLBXHOJCZAAN-KSSFIOAISA-N 0 3 340.423 2.359 10 10 EECEHN COc1ccc(N2CCCN(C(=O)N[C@@H]3CCN(C)[C@@H]3C)CC2)cc1 ZINC000925318228 1206095521 /nfs/dbraw/zinc/09/55/21/1206095521.db2.gz DLRHNTAHTGFKOQ-CRAIPNDOSA-N 0 3 346.475 2.010 10 10 EECEHN CCCN1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228977 1293121164 /nfs/dbraw/zinc/12/11/64/1293121164.db2.gz GTOLMMVBGJHUJL-YJBOKZPZSA-N 0 3 331.460 2.265 10 10 EECEHN CCC1(N2CCOCC2)CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000862535809 1295869924 /nfs/dbraw/zinc/86/99/24/1295869924.db2.gz YUAUQWHHNPWFTE-UHFFFAOYSA-N 0 3 334.460 2.478 10 10 EECEHN C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(Br)cc1[O-] ZINC000863542760 1296327671 /nfs/dbraw/zinc/32/76/71/1296327671.db2.gz YZSJETFWZDVZDB-JTQLQIEISA-N 0 3 329.238 2.313 10 10 EECEHN O=C1[C@H](NCc2ccc(N3CCCC3)cc2)CCN1C1CCOCC1 ZINC001118986011 1308968783 /nfs/dbraw/zinc/96/87/83/1308968783.db2.gz UWRCPJDYVCSRRI-LJQANCHMSA-N 0 3 343.471 2.156 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2cnc(C)n2C)cc1C ZINC001321211616 1333046111 /nfs/dbraw/zinc/04/61/11/1333046111.db2.gz OVIBKLXELNVBIG-AATRIKPKSA-N 0 3 342.443 2.121 10 10 EECEHN CN1CCN(c2ccc(CN3CCOC[C@@H]3CC(F)F)cc2)CC1 ZINC000809713070 783328307 /nfs/dbraw/zinc/32/83/07/783328307.db2.gz YKMTYSJLWWTLSW-KRWDZBQOSA-N 0 3 339.430 2.294 10 10 EECEHN CN(C)c1ccc(/C=C/CN2CCC3(CNC(=O)N3C)CC2)cc1 ZINC000822530289 787237072 /nfs/dbraw/zinc/23/70/72/787237072.db2.gz WMVPUCPVFHZYRP-SNAWJCMRSA-N 0 3 328.460 2.255 10 10 EECEHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000922912717 788317317 /nfs/dbraw/zinc/31/73/17/788317317.db2.gz LFTBFUDARSUNON-HDMKZQKVSA-N 0 3 332.492 2.384 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000808226280 812529256 /nfs/dbraw/zinc/52/92/56/812529256.db2.gz AXCBRLZSONMZQH-GFCCVEGCSA-N 0 3 342.395 2.029 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000808226280 812529264 /nfs/dbraw/zinc/52/92/64/812529264.db2.gz AXCBRLZSONMZQH-GFCCVEGCSA-N 0 3 342.395 2.029 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)c2cc(C)cs2)cc1C ZINC001507188971 1115148714 /nfs/dbraw/zinc/14/87/14/1115148714.db2.gz JISKFPLPSOWEIU-OAHLLOKOSA-N 0 3 348.468 2.254 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2cnnc(C)c2)cc1C ZINC001568842469 1124861187 /nfs/dbraw/zinc/86/11/87/1124861187.db2.gz UFMJAOJSNUQGQG-PLNGDYQASA-N 0 3 340.427 2.178 10 10 EECEHN COc1cccc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000120233168 462976434 /nfs/dbraw/zinc/97/64/34/462976434.db2.gz SJVHXQBWEKIRNM-HNNXBMFYSA-N 0 3 328.416 2.292 10 10 EECEHN COc1cccc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000120233168 462976437 /nfs/dbraw/zinc/97/64/37/462976437.db2.gz SJVHXQBWEKIRNM-HNNXBMFYSA-N 0 3 328.416 2.292 10 10 EECEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1 ZINC000194939235 463963306 /nfs/dbraw/zinc/96/33/06/463963306.db2.gz AVSLKEKHWSYHMY-GFCCVEGCSA-N 0 3 332.404 2.229 10 10 EECEHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1 ZINC000194939235 463963313 /nfs/dbraw/zinc/96/33/13/463963313.db2.gz AVSLKEKHWSYHMY-GFCCVEGCSA-N 0 3 332.404 2.229 10 10 EECEHN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000173992946 464346145 /nfs/dbraw/zinc/34/61/45/464346145.db2.gz WAVVUFJDQLCOBL-IBGZPJMESA-N 0 3 340.471 2.443 10 10 EECEHN CNC(=O)CCOC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000770287138 577593510 /nfs/dbraw/zinc/59/35/10/577593510.db2.gz SYXIZRDUKQBYLV-UHFFFAOYSA-N 0 3 337.439 2.009 10 10 EECEHN CC[S@@](=O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000735084683 578133077 /nfs/dbraw/zinc/13/30/77/578133077.db2.gz PBDFARAZKZZFQN-HSZRJFAPSA-N 0 3 339.461 2.443 10 10 EECEHN C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCN1C ZINC000925314209 1206094894 /nfs/dbraw/zinc/09/48/94/1206094894.db2.gz RUEYSYBHSWYWGE-HYVNUMGLSA-N 0 3 347.459 2.175 10 10 EECEHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sccc1C(N)=O)c1ccccc1[O-] ZINC001197004961 1284397941 /nfs/dbraw/zinc/39/79/41/1284397941.db2.gz WNKHIRITSCARGC-ZJUUUORDSA-N 0 3 333.413 2.230 10 10 EECEHN COc1ccc(CN[C@]2(CO)CCCN(C(=O)C(C)C)C2)cc1C ZINC001281104748 1324764342 /nfs/dbraw/zinc/76/43/42/1324764342.db2.gz NNLCCMKAQCENHG-LJQANCHMSA-N 0 3 334.460 2.103 10 10 EECEHN CN(C)c1ccc([C@H](CNC(=O)[C@H](O)C2CCCCC2)N(C)C)cc1 ZINC001304769696 1331395463 /nfs/dbraw/zinc/39/54/63/1331395463.db2.gz XSBGPEPLDCAQBF-RBUKOAKNSA-N 0 3 347.503 2.413 10 10 EECEHN CNc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nc1 ZINC001304767386 1331395635 /nfs/dbraw/zinc/39/56/35/1331395635.db2.gz FQWAZPZYVXTRFX-SFHVURJKSA-N 0 3 341.459 2.222 10 10 EECEHN CCN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCN(C)C1 ZINC001330664588 1334884283 /nfs/dbraw/zinc/88/42/83/1334884283.db2.gz HFYOCJVDUDSIRU-KRWDZBQOSA-N 0 3 330.476 2.305 10 10 EECEHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000925782112 775635481 /nfs/dbraw/zinc/63/54/81/775635481.db2.gz KXOMYPKJUOCKLC-ZYHUDNBSSA-N 0 3 328.359 2.074 10 10 EECEHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000824655435 788258447 /nfs/dbraw/zinc/25/84/47/788258447.db2.gz WJMQWEOUYRGYFI-GLQYFDAESA-N 0 3 341.835 2.416 10 10 EECEHN COc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000824655435 788258450 /nfs/dbraw/zinc/25/84/50/788258450.db2.gz WJMQWEOUYRGYFI-GLQYFDAESA-N 0 3 341.835 2.416 10 10 EECEHN Cc1cc(Cl)cc(CN2CCC[C@H](CNS(C)(=O)=O)C2)c1O ZINC000271772746 464379576 /nfs/dbraw/zinc/37/95/76/464379576.db2.gz FQKASRSAJOOVER-GFCCVEGCSA-N 0 3 346.880 2.115 10 10 EECEHN C[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)N(C)C(=O)OC(C)(C)C ZINC000282679265 464908077 /nfs/dbraw/zinc/90/80/77/464908077.db2.gz KCZRQJXBUMXOCX-LLVKDONJSA-N 0 3 338.404 2.466 10 10 EECEHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@]3(C2)CCCOC3)cc1 ZINC000367082204 466118899 /nfs/dbraw/zinc/11/88/99/466118899.db2.gz YNMVNSXIUCTULL-FQEVSTJZSA-N 0 3 345.487 2.214 10 10 EECEHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000775368791 577436040 /nfs/dbraw/zinc/43/60/40/577436040.db2.gz FYWFBTCAMSIHAV-LLVKDONJSA-N 0 3 344.367 2.419 10 10 EECEHN CC[S@](=O)CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765955464 577510018 /nfs/dbraw/zinc/51/00/18/577510018.db2.gz VVGCRTGRRDPMSA-DMZKTXOQSA-N 0 3 328.453 2.082 10 10 EECEHN COC(=O)c1cc(CNCc2cc(OC)c(OC)cc2O)n(C)c1C ZINC000895647717 684670507 /nfs/dbraw/zinc/67/05/07/684670507.db2.gz YIPYSVKHKYIKBY-UHFFFAOYSA-N 0 3 348.399 2.133 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2cnn(C)c2C)cc1C ZINC001482983617 1187937329 /nfs/dbraw/zinc/93/73/29/1187937329.db2.gz FVTQDPXJAMJHEJ-AATRIKPKSA-N 0 3 342.443 2.121 10 10 EECEHN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)c1ccccc1[O-] ZINC000866492425 1201530485 /nfs/dbraw/zinc/53/04/85/1201530485.db2.gz OPCPRNISAQXRSS-DAXOMENPSA-N 0 3 338.473 2.436 10 10 EECEHN CCOc1cccc(CN[C@@H]2CON(C(=O)OC(C)(C)C)C2)c1O ZINC000722488658 1230173906 /nfs/dbraw/zinc/17/39/06/1230173906.db2.gz CYNPQCSMSAONHM-ZDUSSCGKSA-N 0 3 338.404 2.431 10 10 EECEHN CCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c([O-])c1 ZINC000801734756 1236107309 /nfs/dbraw/zinc/10/73/09/1236107309.db2.gz JXHQRWBNVIHBHC-YJBOKZPZSA-N 0 3 335.444 2.448 10 10 EECEHN COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)C3CCCCC3)C2)cc1 ZINC001329937898 1334744669 /nfs/dbraw/zinc/74/46/69/1334744669.db2.gz PSAJTQUKUKEAHI-YJBOKZPZSA-N 0 3 331.460 2.298 10 10 EECEHN COc1cccc([O-])c1C[NH+]1CCC(C(=O)Nc2nncs2)CC1 ZINC000809734144 783317651 /nfs/dbraw/zinc/31/76/51/783317651.db2.gz XHFPALPPROZAKT-UHFFFAOYSA-N 0 3 348.428 2.103 10 10 EECEHN Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CN(C)CCO2)c1[O-] ZINC000709429142 786950195 /nfs/dbraw/zinc/95/01/95/786950195.db2.gz XUMCPWHZBWSTRX-AWEZNQCLSA-N 0 3 343.265 2.226 10 10 EECEHN Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2CN(C)CCO2)c1[O-] ZINC000709429142 786950203 /nfs/dbraw/zinc/95/02/03/786950203.db2.gz XUMCPWHZBWSTRX-AWEZNQCLSA-N 0 3 343.265 2.226 10 10 EECEHN COc1cc(O)c(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1OC ZINC000825124319 788447287 /nfs/dbraw/zinc/44/72/87/788447287.db2.gz MZQQGVGWTHKVAZ-YMTOWFKASA-N 0 3 335.322 2.155 10 10 EECEHN COc1cc(O)c(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1OC ZINC000825124318 788447490 /nfs/dbraw/zinc/44/74/90/788447490.db2.gz MZQQGVGWTHKVAZ-XPTSAGLGSA-N 0 3 335.322 2.155 10 10 EECEHN COc1ccc([O-])c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000362036577 466503968 /nfs/dbraw/zinc/50/39/68/466503968.db2.gz GJEDNPPNCVUBMI-UHFFFAOYSA-N 0 3 328.416 2.318 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cccc(OCC)c1O ZINC000373587498 466857641 /nfs/dbraw/zinc/85/76/41/466857641.db2.gz XNTDZYRGKYHWSQ-LSDHHAIUSA-N 0 3 337.416 2.333 10 10 EECEHN COc1ccc(O)c(CN2CCC(Nc3nccc(OC)n3)CC2)c1 ZINC000191693459 534198453 /nfs/dbraw/zinc/19/84/53/534198453.db2.gz MEYFEZOQQKTJEY-UHFFFAOYSA-N 0 3 344.415 2.276 10 10 EECEHN CC[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccccc1[O-] ZINC000775551009 577439380 /nfs/dbraw/zinc/43/93/80/577439380.db2.gz GAPHALYEOUIGMQ-CVEARBPZSA-N 0 3 342.443 2.358 10 10 EECEHN COc1cccc([O-])c1C[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000767742986 577544043 /nfs/dbraw/zinc/54/40/43/577544043.db2.gz XVYFBCDSCICCIX-AWEZNQCLSA-N 0 3 330.432 2.201 10 10 EECEHN [O-]c1ccc(F)cc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000184948459 1192478030 /nfs/dbraw/zinc/47/80/30/1192478030.db2.gz LJMXMQQSTLJQKI-UHFFFAOYSA-N 0 3 335.354 2.192 10 10 EECEHN CC(=O)c1cc(F)cc(Cn2cc(CNC3CCCC3)nn2)c1O ZINC000880996398 1201619382 /nfs/dbraw/zinc/61/93/82/1201619382.db2.gz UPCLNUZYYKFLHL-UHFFFAOYSA-N 0 3 332.379 2.406 10 10 EECEHN CCOc1ccc(O)c(CN[C@@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000850352810 1277196261 /nfs/dbraw/zinc/19/62/61/1277196261.db2.gz IRXOQEDNZKXNJM-MRXNPFEDSA-N 0 3 326.396 2.468 10 10 EECEHN CO[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)[C@H]1CCOC1 ZINC000851840854 1291878785 /nfs/dbraw/zinc/87/87/85/1291878785.db2.gz JVMRIKISGLGBJO-JENIJYKNSA-N 0 3 335.444 2.425 10 10 EECEHN CO[C@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)[C@H]1CCOC1 ZINC000851840854 1291878800 /nfs/dbraw/zinc/87/88/00/1291878800.db2.gz JVMRIKISGLGBJO-JENIJYKNSA-N 0 3 335.444 2.425 10 10 EECEHN C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cc(F)ccc1[O-] ZINC000858565360 1294156117 /nfs/dbraw/zinc/15/61/17/1294156117.db2.gz NGXLRYCJUNFUOU-YOEHRIQHSA-N 0 3 345.418 2.478 10 10 EECEHN COc1ccc(CN[C@@]2(CO)CCCN(C(=O)C(C)C)C2)cc1C ZINC001281104746 1324764470 /nfs/dbraw/zinc/76/44/70/1324764470.db2.gz NNLCCMKAQCENHG-IBGZPJMESA-N 0 3 334.460 2.103 10 10 EECEHN CN1CCN(c2ccc(CN3CC(C4CCOCC4)C3)cc2F)CC1 ZINC001321205391 1333044246 /nfs/dbraw/zinc/04/42/46/1333044246.db2.gz WWBPMNBAHWMBTB-UHFFFAOYSA-N 0 3 347.478 2.436 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)C[C@H]2C=CCCC2)cc1C ZINC001331738790 1335065051 /nfs/dbraw/zinc/06/50/51/1335065051.db2.gz IZARDDTWJRXTLG-FUHWJXTLSA-N 0 3 346.471 2.317 10 10 EECEHN COC[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-])OC ZINC000848543855 1338718446 /nfs/dbraw/zinc/71/84/46/1338718446.db2.gz HTAFFCZZALTDKC-GXSJLCMTSA-N 0 3 348.237 2.475 10 10 EECEHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000182321236 778725147 /nfs/dbraw/zinc/72/51/47/778725147.db2.gz PHMCVJLBZIALPL-OWQGQXMQSA-N 0 3 348.443 2.221 10 10 EECEHN CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](O)C(F)F ZINC000824637288 788251125 /nfs/dbraw/zinc/25/11/25/788251125.db2.gz XGXCNZQAJKDFTP-DZGCQCFKSA-N 0 3 332.366 2.157 10 10 EECEHN C[N@@H+]1C[C@@H](CNC(=O)c2cccc(O)c2[O-])[C@H](c2ccccc2)C1 ZINC000844050383 788817862 /nfs/dbraw/zinc/81/78/62/788817862.db2.gz IWUXBTXGAJOVQU-ZBFHGGJFSA-N 0 3 326.396 2.173 10 10 EECEHN C[N@H+]1C[C@@H](CNC(=O)c2cccc(O)c2[O-])[C@H](c2ccccc2)C1 ZINC000844050383 788817873 /nfs/dbraw/zinc/81/78/73/788817873.db2.gz IWUXBTXGAJOVQU-ZBFHGGJFSA-N 0 3 326.396 2.173 10 10 EECEHN CN1CCN(c2ccc(CN[C@H](c3ncccn3)C3CC3)cc2)CC1 ZINC000922579009 801362125 /nfs/dbraw/zinc/36/21/25/801362125.db2.gz OCEHGMIAGXHAJQ-IBGZPJMESA-N 0 3 337.471 2.469 10 10 EECEHN CN(C)c1ccc([C@H](CNC(=O)c2ncc(Cl)cn2)N(C)C)cc1 ZINC001463276929 1110370737 /nfs/dbraw/zinc/37/07/37/1110370737.db2.gz BDQZUILWLBLGOI-HNNXBMFYSA-N 0 3 347.850 2.229 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)C2CCC=CCC2)cc1C ZINC001507259955 1115163506 /nfs/dbraw/zinc/16/35/06/1115163506.db2.gz IKCHLVIGGUGZBU-SFHVURJKSA-N 0 3 346.471 2.317 10 10 EECEHN CN(c1cccnn1)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000093272715 530037767 /nfs/dbraw/zinc/03/77/67/530037767.db2.gz MVEKTODHLOCRRN-UHFFFAOYSA-N 0 3 342.399 2.012 10 10 EECEHN Cc1cc(N2CCC[C@@H](NCc3cc(C)ccc3O)C2=O)n(C)n1 ZINC000080526377 463328431 /nfs/dbraw/zinc/32/84/31/463328431.db2.gz YQCIQCBFTNUOEV-OAHLLOKOSA-N 0 3 328.416 2.028 10 10 EECEHN Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(C)ccc3[O-])C2=O)n(C)n1 ZINC000080526377 463328436 /nfs/dbraw/zinc/32/84/36/463328436.db2.gz YQCIQCBFTNUOEV-OAHLLOKOSA-N 0 3 328.416 2.028 10 10 EECEHN O=C(NCc1ccc(N2CCCC2)cc1)N1CCN2CCC[C@H]2C1 ZINC000171901751 463946527 /nfs/dbraw/zinc/94/65/27/463946527.db2.gz SQCOFQOKPLHHHY-SFHVURJKSA-N 0 3 328.460 2.276 10 10 EECEHN CCN1CCC[C@H]1CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000175344051 464531175 /nfs/dbraw/zinc/53/11/75/464531175.db2.gz MYEOHQSHEBISJO-IBGZPJMESA-N 0 3 346.519 2.127 10 10 EECEHN CN(C)c1ccc(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1F ZINC000732458362 577181084 /nfs/dbraw/zinc/18/10/84/577181084.db2.gz WWZSJIYFNHKMPD-HNNXBMFYSA-N 0 3 334.439 2.270 10 10 EECEHN COc1ccc(O)c(CNC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000734070693 577276273 /nfs/dbraw/zinc/27/62/73/577276273.db2.gz ZKTNPYFDDSPJGF-KBPBESRZSA-N 0 3 335.448 2.463 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@@H]3CCCCO3)CC2)cc1C ZINC001483727648 1190829424 /nfs/dbraw/zinc/82/94/24/1190829424.db2.gz XEHCSVYMIASKET-KRWDZBQOSA-N 0 3 332.444 2.311 10 10 EECEHN COc1ccc(N2CCN(C[C@H](OC)[C@H]3CCOC3)CC2)cc1F ZINC000851807826 1291851257 /nfs/dbraw/zinc/85/12/57/1291851257.db2.gz JRSVMFIDBDNWQQ-KSSFIOAISA-N 0 3 338.423 2.008 10 10 EECEHN C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cc(F)ccc1[O-] ZINC000858565358 1294156093 /nfs/dbraw/zinc/15/60/93/1294156093.db2.gz NGXLRYCJUNFUOU-RHSMWYFYSA-N 0 3 345.418 2.478 10 10 EECEHN COc1ccc(N2CCCN(C[C@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000799297269 1305217320 /nfs/dbraw/zinc/21/73/20/1305217320.db2.gz MBDHXXNCHBOEJP-IBGZPJMESA-N 0 3 345.418 2.475 10 10 EECEHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000840269594 1315341418 /nfs/dbraw/zinc/34/14/18/1315341418.db2.gz YMONEHZPXRGFJK-RDJZCZTQSA-N 0 3 332.492 2.385 10 10 EECEHN C[C@@H](NCCOCCCO)c1ccc(N2CCOCC2)cc1Cl ZINC001325887396 1333985597 /nfs/dbraw/zinc/98/55/97/1333985597.db2.gz CJJGCAQRVYWKST-CQSZACIVSA-N 0 3 342.867 2.226 10 10 EECEHN C[C@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1ccccc1[O-] ZINC001644182951 1352759465 /nfs/dbraw/zinc/75/94/65/1352759465.db2.gz CCSYGDAABQECFS-JTQLQIEISA-N 0 3 333.413 2.232 10 10 EECEHN Cc1cc(Br)cc(C[N@@H+](C[C@@H](O)CO)C(C)C)c1[O-] ZINC000817417533 784768971 /nfs/dbraw/zinc/76/89/71/784768971.db2.gz JHTGIKUTKBTVGB-CYBMUJFWSA-N 0 3 332.238 2.027 10 10 EECEHN Cc1cc(Br)cc(C[N@H+](C[C@@H](O)CO)C(C)C)c1[O-] ZINC000817417533 784768980 /nfs/dbraw/zinc/76/89/80/784768980.db2.gz JHTGIKUTKBTVGB-CYBMUJFWSA-N 0 3 332.238 2.027 10 10 EECEHN Cc1cc(Br)cc(C[NH2+]CC[C@]2(O)CCOC2)c1[O-] ZINC000846047712 790036729 /nfs/dbraw/zinc/03/67/29/790036729.db2.gz AOZDROUWOAOIFL-AWEZNQCLSA-N 0 3 330.222 2.094 10 10 EECEHN COC(=O)[C@@H]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295638411 464912842 /nfs/dbraw/zinc/91/28/42/464912842.db2.gz YBIIVDKHZDGAEQ-MRXNPFEDSA-N 0 3 332.444 2.297 10 10 EECEHN COc1cc([O-])c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1OC ZINC000529681685 467895244 /nfs/dbraw/zinc/89/52/44/467895244.db2.gz SSSCYDXATYWZAJ-UHFFFAOYSA-N 0 3 336.432 2.148 10 10 EECEHN CCN(CC)c1ccc(CN[C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000747622720 577947026 /nfs/dbraw/zinc/94/70/26/577947026.db2.gz VQDCBPPGBLSJPV-IBGZPJMESA-N 0 3 345.487 2.402 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@@H]3CCCOC3)CC2)cc1C ZINC001269383776 1184223090 /nfs/dbraw/zinc/22/30/90/1184223090.db2.gz PFDXBZZOCAJTHY-MRXNPFEDSA-N 0 3 332.444 2.169 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@@H]3CCOC[C@H]3C)CC2)cc1C ZINC001269485031 1184304373 /nfs/dbraw/zinc/30/43/73/1184304373.db2.gz XQMZKIZZIJEHCA-NVXWUHKLSA-N 0 3 346.471 2.415 10 10 EECEHN COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848536517 1186196850 /nfs/dbraw/zinc/19/68/50/1186196850.db2.gz QUDAUJGDRCWWCC-ONGXEEELSA-N 0 3 348.237 2.211 10 10 EECEHN CCN(CC)c1ccc(CNCC2(S(=O)(=O)N(C)C)CC2)cc1 ZINC000886322057 1202492100 /nfs/dbraw/zinc/49/21/00/1202492100.db2.gz KHLFLYIRVXCIFF-UHFFFAOYSA-N 0 3 339.505 2.046 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)Cc2cnc(C)o2)cc1C ZINC001274088343 1204364261 /nfs/dbraw/zinc/36/42/61/1204364261.db2.gz GPUARXRSDYJROL-PLNGDYQASA-N 0 3 343.427 2.305 10 10 EECEHN CN(C)c1ccc(CNCC[S@](=O)CC(F)(F)F)cc1F ZINC000850348558 1277191895 /nfs/dbraw/zinc/19/18/95/1277191895.db2.gz OROUFLJVIZXYMQ-NRFANRHFSA-N 0 3 326.359 2.292 10 10 EECEHN OC1CCN(c2ccc(CNCc3cnn4c3CCC4)cc2)CC1 ZINC000850406469 1277216791 /nfs/dbraw/zinc/21/67/91/1277216791.db2.gz HNUSQENHIYYMBO-UHFFFAOYSA-N 0 3 326.444 2.080 10 10 EECEHN C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc(F)ccc1[O-] ZINC000850520176 1277259279 /nfs/dbraw/zinc/25/92/79/1277259279.db2.gz TUCIQHGRVHNGDN-QMMMGPOBSA-N 0 3 329.315 2.159 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2cnc(C)cn2)cc1C ZINC001273824001 1286464307 /nfs/dbraw/zinc/46/43/07/1286464307.db2.gz VLXVVZZNYGPHMC-SNAWJCMRSA-N 0 3 340.427 2.178 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@@H](O)CC1(O)CCC1)C[C@@H]1CCCO1 ZINC000859190073 1294343908 /nfs/dbraw/zinc/34/39/08/1294343908.db2.gz FDQZXEZBFSWHPG-IRXDYDNUSA-N 0 3 335.444 2.039 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)CC1(O)CCC1)C[C@@H]1CCCO1 ZINC000859190073 1294343915 /nfs/dbraw/zinc/34/39/15/1294343915.db2.gz FDQZXEZBFSWHPG-IRXDYDNUSA-N 0 3 335.444 2.039 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3cccn3C)CC2)cc1C ZINC001323394482 1333454504 /nfs/dbraw/zinc/45/45/04/1333454504.db2.gz TXFLNAJYJUKXPH-UHFFFAOYSA-N 0 3 327.428 2.394 10 10 EECEHN COc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC001644183108 1352759353 /nfs/dbraw/zinc/75/93/53/1352759353.db2.gz FZHPXKQNMNQHPB-GFCCVEGCSA-N 0 3 343.383 2.400 10 10 EECEHN CCN(CC)c1ccc(CNC(C)(C)CNS(C)(=O)=O)cc1F ZINC000922637163 801554280 /nfs/dbraw/zinc/55/42/80/801554280.db2.gz SSPIBWKBPYZJGG-UHFFFAOYSA-N 0 3 345.484 2.089 10 10 EECEHN CN(C)c1ccc([C@H](CNC(=O)c2cc(F)c[nH]c2=O)N(C)C)cc1 ZINC001456927076 1109369878 /nfs/dbraw/zinc/36/98/78/1109369878.db2.gz AHVHKNWCHNCLOJ-INIZCTEOSA-N 0 3 346.406 2.025 10 10 EECEHN CN(C)CCCNC1=NC(=O)C(=Cc2ccc3c(c2)CCO3)S1 ZINC000140624975 463345877 /nfs/dbraw/zinc/34/58/77/463345877.db2.gz IXIZMBMCSXPLMU-PTNGSMBKSA-N 0 3 331.441 2.133 10 10 EECEHN COc1ccc([O-])c(C[N@H+](C)C2CCN(CCn3cccn3)CC2)c1 ZINC000180095583 464241067 /nfs/dbraw/zinc/24/10/67/464241067.db2.gz NBKDUZSSEFXDCB-UHFFFAOYSA-N 0 3 344.459 2.194 10 10 EECEHN COc1ccc([O-])c(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)c1 ZINC000180095583 464241072 /nfs/dbraw/zinc/24/10/72/464241072.db2.gz NBKDUZSSEFXDCB-UHFFFAOYSA-N 0 3 344.459 2.194 10 10 EECEHN COC(=O)/C=C/c1ccc(N2CC[C@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266283454 464770565 /nfs/dbraw/zinc/77/05/65/464770565.db2.gz UVDUVXDWAIOCCT-ZKKXHLJNSA-N 0 3 343.383 2.232 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000774686123 577411164 /nfs/dbraw/zinc/41/11/64/577411164.db2.gz AIDCFROILRSMHR-DLBZAZTESA-N 0 3 333.428 2.423 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000774686123 577411165 /nfs/dbraw/zinc/41/11/65/577411165.db2.gz AIDCFROILRSMHR-DLBZAZTESA-N 0 3 333.428 2.423 10 10 EECEHN COC(=O)[C@]1(O)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000895706580 684691274 /nfs/dbraw/zinc/69/12/74/684691274.db2.gz HFCRYZABWFLBNS-IBGZPJMESA-N 0 3 327.380 2.169 10 10 EECEHN COC(=O)[C@]1(O)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000895706580 684691277 /nfs/dbraw/zinc/69/12/77/684691277.db2.gz HFCRYZABWFLBNS-IBGZPJMESA-N 0 3 327.380 2.169 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@H]3CCCOC3)CC2)cc1C ZINC001269383775 1184222626 /nfs/dbraw/zinc/22/26/26/1184222626.db2.gz PFDXBZZOCAJTHY-INIZCTEOSA-N 0 3 332.444 2.169 10 10 EECEHN COc1ccc(N2CCN(CCCCCNC(C)=O)CC2)c(OC)c1 ZINC000931531016 1207406673 /nfs/dbraw/zinc/40/66/73/1207406673.db2.gz WAHJMSOBKWZQJQ-UHFFFAOYSA-N 0 3 349.475 2.132 10 10 EECEHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c1[O-] ZINC000850545660 1277264664 /nfs/dbraw/zinc/26/46/64/1277264664.db2.gz DHVWDSSEMXMIQN-KOLCDFICSA-N 0 3 327.222 2.392 10 10 EECEHN COc1ccc(CNC2(CNC(=O)Cc3cncs3)CC2)cc1C ZINC001277088005 1301216071 /nfs/dbraw/zinc/21/60/71/1301216071.db2.gz OZXTVDDEASVZJC-UHFFFAOYSA-N 0 3 345.468 2.441 10 10 EECEHN COc1c([O-])c(CN(CC[NH3+])CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000843121650 1315847653 /nfs/dbraw/zinc/84/76/53/1315847653.db2.gz FYNVJWWNTGQUDG-UHFFFAOYSA-N 0 3 345.399 2.312 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)CC2CC(C)(C)C2)cc1C ZINC001283797475 1326261699 /nfs/dbraw/zinc/26/16/99/1326261699.db2.gz OXYBNOLMUJKJMX-QGZVFWFLSA-N 0 3 348.487 2.397 10 10 EECEHN COc1ccc(CNCC=CCNC(=O)c2[nH]cnc2C)cc1C ZINC001321445935 1333106918 /nfs/dbraw/zinc/10/69/18/1333106918.db2.gz XWCLPLQIXIIJMR-PLNGDYQASA-N 0 3 328.416 2.111 10 10 EECEHN C[C@H](NC(=O)CN1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000847394307 1338023280 /nfs/dbraw/zinc/02/32/80/1338023280.db2.gz XLNOCZXLQGWQPC-CVEARBPZSA-N 0 3 331.460 2.042 10 10 EECEHN CC1CCC(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)CC1 ZINC001617555794 1352342199 /nfs/dbraw/zinc/34/21/99/1352342199.db2.gz GAZPIVUXLSTBMY-UHFFFAOYSA-N 0 3 332.444 2.363 10 10 EECEHN C[C@H](CN1CCOCC1)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001652842085 1354105582 /nfs/dbraw/zinc/10/55/82/1354105582.db2.gz IIYHWYMTEXRYAE-MJGOQNOKSA-N 0 3 348.487 2.342 10 10 EECEHN C[C@H](CN1CCOCC1)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001652842085 1354105586 /nfs/dbraw/zinc/10/55/86/1354105586.db2.gz IIYHWYMTEXRYAE-MJGOQNOKSA-N 0 3 348.487 2.342 10 10 EECEHN COC[C@](C)(O)CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000824559139 788214936 /nfs/dbraw/zinc/21/49/36/788214936.db2.gz HKNWYOPHOMHOKQ-CQSZACIVSA-N 0 3 332.238 2.340 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](C(=O)OC)C2)c1[O-] ZINC000917480471 798236044 /nfs/dbraw/zinc/23/60/44/798236044.db2.gz NIFOYPKSTLGTCQ-ZDUSSCGKSA-N 0 3 343.379 2.327 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](C(=O)OC)C2)c1[O-] ZINC000917480471 798236046 /nfs/dbraw/zinc/23/60/46/798236046.db2.gz NIFOYPKSTLGTCQ-ZDUSSCGKSA-N 0 3 343.379 2.327 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CCCCO2)cc1C ZINC001568835688 1124854864 /nfs/dbraw/zinc/85/48/64/1124854864.db2.gz FBKCRLJXIHLKMU-WRFKIARRSA-N 0 3 332.444 2.335 10 10 EECEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1[O-] ZINC000279383040 464096071 /nfs/dbraw/zinc/09/60/71/464096071.db2.gz JIGQQNMEFPZMNR-OAHLLOKOSA-N 0 3 339.233 2.175 10 10 EECEHN Cc1cc(Br)cc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c1[O-] ZINC000279383040 464096075 /nfs/dbraw/zinc/09/60/75/464096075.db2.gz JIGQQNMEFPZMNR-OAHLLOKOSA-N 0 3 339.233 2.175 10 10 EECEHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1[O-] ZINC000187321797 464117079 /nfs/dbraw/zinc/11/70/79/464117079.db2.gz DXEZGFPZGMJQAI-DGCLKSJQSA-N 0 3 343.265 2.444 10 10 EECEHN C[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccccc1[O-] ZINC000179879648 464202547 /nfs/dbraw/zinc/20/25/47/464202547.db2.gz PVALBECMDMJKAG-QAPCUYQASA-N 0 3 326.440 2.462 10 10 EECEHN CCOc1cccc(CNCc2cccc(N3CCOCC3)n2)c1O ZINC000274794388 464755411 /nfs/dbraw/zinc/75/54/11/464755411.db2.gz NGCLQLYWTBXYBT-UHFFFAOYSA-N 0 3 343.427 2.312 10 10 EECEHN O=C(Nc1nncs1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000368040611 466570733 /nfs/dbraw/zinc/57/07/33/466570733.db2.gz JLYSOZJETNPKTI-UHFFFAOYSA-N 0 3 336.392 2.234 10 10 EECEHN CN(C)c1ccc(CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1F ZINC000732458363 577181100 /nfs/dbraw/zinc/18/11/00/577181100.db2.gz WWZSJIYFNHKMPD-OAHLLOKOSA-N 0 3 334.439 2.270 10 10 EECEHN CCOc1ccc(CNCc2cccc(N3CCOCC3)n2)c(O)c1 ZINC000775360865 577435902 /nfs/dbraw/zinc/43/59/02/577435902.db2.gz NCPPNQJWVZDGFC-UHFFFAOYSA-N 0 3 343.427 2.312 10 10 EECEHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000757656941 577862067 /nfs/dbraw/zinc/86/20/67/577862067.db2.gz PPMANOJFNXDIDZ-ZBFHGGJFSA-N 0 3 342.443 2.276 10 10 EECEHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000757656941 577862068 /nfs/dbraw/zinc/86/20/68/577862068.db2.gz PPMANOJFNXDIDZ-ZBFHGGJFSA-N 0 3 342.443 2.276 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3cnc(C)[nH]3)CC2)cc1C ZINC001670759057 1178949363 /nfs/dbraw/zinc/94/93/63/1178949363.db2.gz GEXUGMHSHOBJSG-UHFFFAOYSA-N 0 3 328.416 2.087 10 10 EECEHN Cc1nnccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000930818792 1206585811 /nfs/dbraw/zinc/58/58/11/1206585811.db2.gz OKIPQXUXVGJKDE-KRWDZBQOSA-N 0 3 342.447 2.275 10 10 EECEHN CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@H]2c2cccnc2)c1[O-] ZINC000843378020 1315903835 /nfs/dbraw/zinc/90/38/35/1315903835.db2.gz GKQDAXCSLXWWLX-KRWDZBQOSA-N 0 3 329.375 2.275 10 10 EECEHN CN(C)c1ccc([C@H](CNC(=O)c2ccccc2[O-])[NH+](C)C)cc1 ZINC001304768018 1331396014 /nfs/dbraw/zinc/39/60/14/1331396014.db2.gz JPHIICWIRPASPF-KRWDZBQOSA-N 0 3 327.428 2.491 10 10 EECEHN COC(=O)c1cc2ccccc2c(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1O ZINC000844744638 789343399 /nfs/dbraw/zinc/34/33/99/789343399.db2.gz PMMGIZFFFVZUPA-LUFVGAHGSA-N 0 3 345.420 2.037 10 10 EECEHN CN(C)c1ccnc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000922478316 801143733 /nfs/dbraw/zinc/14/37/33/801143733.db2.gz LIEAVTJKHCATSA-UHFFFAOYSA-N 0 3 344.434 2.413 10 10 EECEHN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CCCCN2C)cc1 ZINC001479490531 1098563537 /nfs/dbraw/zinc/56/35/37/1098563537.db2.gz KHCYQFZLKKKTHG-QGZVFWFLSA-N 0 3 348.491 2.257 10 10 EECEHN C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC001460638438 1110320150 /nfs/dbraw/zinc/32/01/50/1110320150.db2.gz NTIURYVKRXMAOE-OLZOCXBDSA-N 0 3 332.356 2.391 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)CC2CCCC2)cc1C ZINC001507169805 1115144761 /nfs/dbraw/zinc/14/47/61/1115144761.db2.gz BJFGTRAWIPGCCE-KRWDZBQOSA-N 0 3 334.460 2.151 10 10 EECEHN Cc1nc(CN2CCCN(Cc3cc(C)c(C)cc3O)CC2)no1 ZINC000127946430 462597446 /nfs/dbraw/zinc/59/74/46/462597446.db2.gz AJWVBJMVPJWNEV-UHFFFAOYSA-N 0 3 330.432 2.408 10 10 EECEHN Cc1nc(CN2CCC[N@H+](Cc3cc(C)c(C)cc3[O-])CC2)no1 ZINC000127946430 462597449 /nfs/dbraw/zinc/59/74/49/462597449.db2.gz AJWVBJMVPJWNEV-UHFFFAOYSA-N 0 3 330.432 2.408 10 10 EECEHN Cc1nc(CN2CCC[N@@H+](Cc3cc(C)c(C)cc3[O-])CC2)no1 ZINC000127946430 462597454 /nfs/dbraw/zinc/59/74/54/462597454.db2.gz AJWVBJMVPJWNEV-UHFFFAOYSA-N 0 3 330.432 2.408 10 10 EECEHN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN2CCC[C@@H]2C1 ZINC000172631895 464121229 /nfs/dbraw/zinc/12/12/29/464121229.db2.gz QOGHNBHGRWAINK-GOSISDBHSA-N 0 3 326.444 2.052 10 10 EECEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180960191 464427456 /nfs/dbraw/zinc/42/74/56/464427456.db2.gz XJJXKFHFZTUHQH-QXLXQBSBSA-N 0 3 340.423 2.400 10 10 EECEHN COC(=O)/C=C/c1ccc(N(C)[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000733190544 577212228 /nfs/dbraw/zinc/21/22/28/577212228.db2.gz GVFCMZSFZNVYKM-LWUPOJRFSA-N 0 3 345.399 2.454 10 10 EECEHN C[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccc(N(C)C)cc1 ZINC000776237563 577455411 /nfs/dbraw/zinc/45/54/11/577455411.db2.gz HHJJETFBVQDWIA-MAUKXSAKSA-N 0 3 328.460 2.469 10 10 EECEHN CCOCc1cc(CNC2CN(c3ccncn3)C2)ccc1OC ZINC000865749364 1198358906 /nfs/dbraw/zinc/35/89/06/1198358906.db2.gz QYVQSWICVXFCED-UHFFFAOYSA-N 0 3 328.416 2.000 10 10 EECEHN COc1cccc([C@H](C)NCc2n[nH]c(C3CCOCC3)n2)c1O ZINC000866440060 1201518376 /nfs/dbraw/zinc/51/83/76/1201518376.db2.gz LGTVEMBLOLUJKC-NSHDSACASA-N 0 3 332.404 2.264 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@@H](O)C1(O)CCCC1)C[C@@H]1CCCO1 ZINC000929970122 1206523481 /nfs/dbraw/zinc/52/34/81/1206523481.db2.gz IPCNCUMUSVRDKF-FUHWJXTLSA-N 0 3 335.444 2.039 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)C1(O)CCCC1)C[C@@H]1CCCO1 ZINC000929970122 1206523483 /nfs/dbraw/zinc/52/34/83/1206523483.db2.gz IPCNCUMUSVRDKF-FUHWJXTLSA-N 0 3 335.444 2.039 10 10 EECEHN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c(c3)CNC4)C2)cc1 ZINC000851640180 1277696779 /nfs/dbraw/zinc/69/67/79/1277696779.db2.gz RTSGDXFREJQGIA-QGZVFWFLSA-N 0 3 337.423 2.307 10 10 EECEHN O=S1(=O)C[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)Oc2ccccc21 ZINC000842883530 1315791534 /nfs/dbraw/zinc/79/15/34/1315791534.db2.gz KAAGOMZEJOQGJW-ZIAGYGMSSA-N 0 3 345.420 2.204 10 10 EECEHN C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccccc1[O-] ZINC000842884873 1315791745 /nfs/dbraw/zinc/79/17/45/1315791745.db2.gz UVTUOKSKVASNLT-CHWSQXEVSA-N 0 3 333.409 2.278 10 10 EECEHN C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)N(C)Cc1ccccc1 ZINC001293471520 1328726740 /nfs/dbraw/zinc/72/67/40/1328726740.db2.gz WGBJTASJHBGNFH-CQSZACIVSA-N 0 3 328.412 2.277 10 10 EECEHN CO[C@](C)(CO)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000848921417 1338807528 /nfs/dbraw/zinc/80/75/28/1338807528.db2.gz ATCHAOPGRWASIC-IBGZPJMESA-N 0 3 331.412 2.458 10 10 EECEHN C[C@@H]1Cc2n[nH]cc2CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001560144156 1342508008 /nfs/dbraw/zinc/50/80/08/1342508008.db2.gz UGNODBVKDZDLCP-OAHLLOKOSA-N 0 3 326.444 2.441 10 10 EECEHN Cc1ccc(CN2CC[C@H](NC(=O)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001636120064 1352659324 /nfs/dbraw/zinc/65/93/24/1352659324.db2.gz RDIQXPYRDPAIFG-KRWDZBQOSA-N 0 3 340.423 2.339 10 10 EECEHN CNC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000817413965 784766505 /nfs/dbraw/zinc/76/65/05/784766505.db2.gz ATXZTQRKOLZQBK-GFCCVEGCSA-N 0 3 329.366 2.339 10 10 EECEHN Cc1cc(Br)cc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c1[O-] ZINC000825130362 788450299 /nfs/dbraw/zinc/45/02/99/788450299.db2.gz WKYCVNFCQXANBB-RISCZKNCSA-N 0 3 344.249 2.435 10 10 EECEHN Cc1cc(Br)cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c1[O-] ZINC000825130362 788450300 /nfs/dbraw/zinc/45/03/00/788450300.db2.gz WKYCVNFCQXANBB-RISCZKNCSA-N 0 3 344.249 2.435 10 10 EECEHN COc1cccc(CN[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1O ZINC000191762692 464827225 /nfs/dbraw/zinc/82/72/25/464827225.db2.gz CQSKLIWITHEBIR-MRXNPFEDSA-N 0 3 344.386 2.431 10 10 EECEHN COc1cc([O-])c(C[NH2+]C2(CO)Cc3ccccc3C2)cc1OC ZINC000360061903 465527600 /nfs/dbraw/zinc/52/76/00/465527600.db2.gz ZDYVHGAATSZUBZ-UHFFFAOYSA-N 0 3 329.396 2.029 10 10 EECEHN CCOC(=O)C1(COC)CCN(Cc2cc(OC)ccc2O)CC1 ZINC000369139696 466715913 /nfs/dbraw/zinc/71/59/13/466715913.db2.gz KLNQLJQTLPSRRW-UHFFFAOYSA-N 0 3 337.416 2.193 10 10 EECEHN CN1C[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1=O ZINC000738438809 578015240 /nfs/dbraw/zinc/01/52/40/578015240.db2.gz GEHHFDKXKDKEKT-HNNXBMFYSA-N 0 3 346.431 2.296 10 10 EECEHN Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000734687465 577318526 /nfs/dbraw/zinc/31/85/26/577318526.db2.gz CQUBLMFPFXNQGK-GOSISDBHSA-N 0 3 330.476 2.439 10 10 EECEHN CC[C@H](F)CNC/C=C\CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268632789 1183560865 /nfs/dbraw/zinc/56/08/65/1183560865.db2.gz KJOYZRQAJYHVBE-LRWFYRMDSA-N 0 3 335.383 2.473 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)C2CCCCC2)cc1C ZINC001485968526 1193656523 /nfs/dbraw/zinc/65/65/23/1193656523.db2.gz FZUGPPXDWZRMKY-QGZVFWFLSA-N 0 3 334.460 2.151 10 10 EECEHN COc1cccc([C@@H](C)NCc2n[nH]c(C3CCOCC3)n2)c1O ZINC000866440059 1201518337 /nfs/dbraw/zinc/51/83/37/1201518337.db2.gz LGTVEMBLOLUJKC-LLVKDONJSA-N 0 3 332.404 2.264 10 10 EECEHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC(CO)(CO)C1 ZINC000827474624 1248160679 /nfs/dbraw/zinc/16/06/79/1248160679.db2.gz GZLLMCUSECJGOL-UHFFFAOYSA-N 0 3 343.423 2.148 10 10 EECEHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000827474624 1248160683 /nfs/dbraw/zinc/16/06/83/1248160683.db2.gz GZLLMCUSECJGOL-UHFFFAOYSA-N 0 3 343.423 2.148 10 10 EECEHN CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccccc1[O-] ZINC000850518784 1277256981 /nfs/dbraw/zinc/25/69/81/1277256981.db2.gz IEFYGDRLQWRODI-NSHDSACASA-N 0 3 325.352 2.410 10 10 EECEHN COc1ccc(N2CCN(C[C@H](OC)[C@@H]3CCOC3)CC2)cc1F ZINC000851807825 1291850913 /nfs/dbraw/zinc/85/09/13/1291850913.db2.gz JRSVMFIDBDNWQQ-KDOFPFPSSA-N 0 3 338.423 2.008 10 10 EECEHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001158716922 1319396697 /nfs/dbraw/zinc/39/66/97/1319396697.db2.gz IPVFHWVAPABUMS-XFKAJCMBSA-N 0 3 333.476 2.143 10 10 EECEHN COc1ccc(CN[C@]2(CO)CCCN(C(=O)C3CCC3)C2)cc1C ZINC001327541607 1334312260 /nfs/dbraw/zinc/31/22/60/1334312260.db2.gz QPVLRMOKYSKBBQ-HXUWFJFHSA-N 0 3 346.471 2.247 10 10 EECEHN CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001622704089 1352387922 /nfs/dbraw/zinc/38/79/22/1352387922.db2.gz WVMMWASHMQKZEJ-KRWDZBQOSA-N 0 3 340.423 2.373 10 10 EECEHN CCOc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c([O-])c1 ZINC000824517026 788198533 /nfs/dbraw/zinc/19/85/33/788198533.db2.gz OTAZYFZXBVBWRO-CQSZACIVSA-N 0 3 347.436 2.452 10 10 EECEHN O=C(NCc1c([O-])cccc1F)NCC1CC[NH+](CC2CC2)CC1 ZINC000923353255 789432201 /nfs/dbraw/zinc/43/22/01/789432201.db2.gz JNLTZXZMPGYABU-UHFFFAOYSA-N 0 3 335.423 2.453 10 10 EECEHN Cc1cc(N2CCC[C@@H](NCc3cc(C)c(C)cc3O)C2=O)n(C)n1 ZINC000080526601 463328272 /nfs/dbraw/zinc/32/82/72/463328272.db2.gz NTGLRMXDCDULRB-MRXNPFEDSA-N 0 3 342.443 2.336 10 10 EECEHN Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(C)c(C)cc3[O-])C2=O)n(C)n1 ZINC000080526601 463328277 /nfs/dbraw/zinc/32/82/77/463328277.db2.gz NTGLRMXDCDULRB-MRXNPFEDSA-N 0 3 342.443 2.336 10 10 EECEHN CCN1CCN(c2ccccc2NC(=O)c2cccc(O)c2O)CC1 ZINC000188115924 464203397 /nfs/dbraw/zinc/20/33/97/464203397.db2.gz JGMDJPHDVKTIDU-UHFFFAOYSA-N 0 3 341.411 2.492 10 10 EECEHN C[N@H+](Cc1cc(F)ccc1[O-])C1CCN(CCn2cccn2)CC1 ZINC000180104055 464243376 /nfs/dbraw/zinc/24/33/76/464243376.db2.gz BNWBFPPNFMUWHL-UHFFFAOYSA-N 0 3 332.423 2.324 10 10 EECEHN C[N@@H+](Cc1cc(F)ccc1[O-])C1CCN(CCn2cccn2)CC1 ZINC000180104055 464243380 /nfs/dbraw/zinc/24/33/80/464243380.db2.gz BNWBFPPNFMUWHL-UHFFFAOYSA-N 0 3 332.423 2.324 10 10 EECEHN CC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@]2(CCOC2)O1 ZINC000376020322 529296621 /nfs/dbraw/zinc/29/66/21/529296621.db2.gz FRJNLGYTKJICOB-PMACEKPBSA-N 0 3 346.471 2.293 10 10 EECEHN Cc1ccnc(C2CC[NH+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)n1 ZINC000758244468 577619848 /nfs/dbraw/zinc/61/98/48/577619848.db2.gz DELSVQIVBNUESM-QGZVFWFLSA-N 0 3 341.411 2.296 10 10 EECEHN CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000741092105 578112857 /nfs/dbraw/zinc/11/28/57/578112857.db2.gz VESPCDLORGBTIX-IBGZPJMESA-N 0 3 340.471 2.441 10 10 EECEHN O=C1NCC2(CCOCC2)[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000895772346 684718524 /nfs/dbraw/zinc/71/85/24/684718524.db2.gz DXOGSXUAGKQPEP-GOSISDBHSA-N 0 3 343.471 2.062 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)C2CCOCC2)cc1C ZINC001268504951 1183082223 /nfs/dbraw/zinc/08/22/23/1183082223.db2.gz GTGIHGNDQRNFMW-ONEGZZNKSA-N 0 3 332.444 2.192 10 10 EECEHN COc1cc(Cl)cc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c1[O-] ZINC000826834550 1248087724 /nfs/dbraw/zinc/08/77/24/1248087724.db2.gz TVFBBFWLWZVQOJ-UHFFFAOYSA-N 0 3 347.864 2.359 10 10 EECEHN COc1cc(Cl)cc(C[NH2+]CC[S@](=O)CC(F)(F)F)c1[O-] ZINC000826867491 1248099593 /nfs/dbraw/zinc/09/95/93/1248099593.db2.gz KDLRKQUCQXHHDS-NRFANRHFSA-N 0 3 345.770 2.455 10 10 EECEHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(CCC(=O)OC)C1=O ZINC000851793096 1291837116 /nfs/dbraw/zinc/83/71/16/1291837116.db2.gz WNPYBJHGKDNDPP-INIZCTEOSA-N 0 3 348.443 2.158 10 10 EECEHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(CCC(=O)OC)C1=O ZINC000851793096 1291837126 /nfs/dbraw/zinc/83/71/26/1291837126.db2.gz WNPYBJHGKDNDPP-INIZCTEOSA-N 0 3 348.443 2.158 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)C=C2CCCCC2)cc1C ZINC001676510916 1357159607 /nfs/dbraw/zinc/15/96/07/1357159607.db2.gz JTVWZDYZOJZKQZ-SFHVURJKSA-N 0 3 346.471 2.461 10 10 EECEHN CN1CCC[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000919657383 770160529 /nfs/dbraw/zinc/16/05/29/770160529.db2.gz JPHJLPOYKUQOEU-IRXDYDNUSA-N 0 3 347.459 2.177 10 10 EECEHN COc1ccc(N2CCC(NC(=O)N[C@@H]3CCN(C)[C@H]3C)CC2)cc1 ZINC000916225998 797557001 /nfs/dbraw/zinc/55/70/01/797557001.db2.gz MOGGFPQDPXJKLG-KBXCAEBGSA-N 0 3 346.475 2.056 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](C(=O)OC)C2)c1[O-] ZINC000917480469 798236161 /nfs/dbraw/zinc/23/61/61/798236161.db2.gz NIFOYPKSTLGTCQ-CYBMUJFWSA-N 0 3 343.379 2.327 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c1[O-] ZINC000917480469 798236164 /nfs/dbraw/zinc/23/61/64/798236164.db2.gz NIFOYPKSTLGTCQ-CYBMUJFWSA-N 0 3 343.379 2.327 10 10 EECEHN CCn1cc(C(=O)NC/C=C\CNCc2ccc(OC)c(C)c2)cn1 ZINC001497550325 1102654461 /nfs/dbraw/zinc/65/44/61/1102654461.db2.gz IFAOGQMDVNHXEG-WAYWQWQTSA-N 0 3 342.443 2.296 10 10 EECEHN CN(C)CCN1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294466955 464509243 /nfs/dbraw/zinc/50/92/43/464509243.db2.gz ZEHLAIJQJKNNAH-UHFFFAOYSA-N 0 3 329.847 2.300 10 10 EECEHN C[C@H](NC(=O)Nc1cnn(CCN(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775648116 577441803 /nfs/dbraw/zinc/44/18/03/577441803.db2.gz AUSYVHXPOKCNRA-AWEZNQCLSA-N 0 3 344.463 2.393 10 10 EECEHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCCS2(=O)=O)c([O-])c1C ZINC000756688609 577848602 /nfs/dbraw/zinc/84/86/02/577848602.db2.gz PCTLNCPLVAXHFF-CQSZACIVSA-N 0 3 326.462 2.085 10 10 EECEHN COC[C@H](C)CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000188450749 681828511 /nfs/dbraw/zinc/82/85/11/681828511.db2.gz YITLIRRFSACSRE-CQSZACIVSA-N 0 3 338.448 2.117 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)Cc2ccc[nH]2)cc1C ZINC001274601689 1205093918 /nfs/dbraw/zinc/09/39/18/1205093918.db2.gz WGZCHBFBIQNNJL-ARJAWSKDSA-N 0 3 327.428 2.336 10 10 EECEHN CN(CCN1C(=O)CN(C)C1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000851716289 1277724882 /nfs/dbraw/zinc/72/48/82/1277724882.db2.gz LLLAPHNULHURBS-UHFFFAOYSA-N 0 3 344.459 2.003 10 10 EECEHN COC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848531371 1338715471 /nfs/dbraw/zinc/71/54/71/1338715471.db2.gz QHWDZGWRKSQICI-YMTOWFKASA-N 0 3 348.237 2.211 10 10 EECEHN CN(C)C(=O)CCN1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816515762 784091853 /nfs/dbraw/zinc/09/18/53/784091853.db2.gz KIYCLAQMBKFIER-UHFFFAOYSA-N 0 3 341.455 2.141 10 10 EECEHN Cc1nc(C[C@H]2CCCN(Cc3cc4c(cc3O)OCO4)C2)no1 ZINC000103135104 237074254 /nfs/dbraw/zinc/07/42/54/237074254.db2.gz FIEAJZSHWFEVRL-GFCCVEGCSA-N 0 3 331.372 2.267 10 10 EECEHN [N-]=[N+]=CC(=O)[C@H](Cc1ccccc1)NC(=S)Nc1ccccc1 ZINC000096361004 303232840 /nfs/dbraw/zinc/23/28/40/303232840.db2.gz BHSJPXBENUPSIQ-HNNXBMFYSA-O 0 3 325.417 2.463 10 10 EECEHN Cc1noc(CCN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)n1 ZINC000089518845 534407357 /nfs/dbraw/zinc/40/73/57/534407357.db2.gz MUFHYUYBZODNJH-GFCCVEGCSA-N 0 3 334.395 2.247 10 10 EECEHN CCOC(=O)CCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768463838 577556378 /nfs/dbraw/zinc/55/63/78/577556378.db2.gz XWKJOXGFZQMVER-KRWDZBQOSA-N 0 3 349.427 2.373 10 10 EECEHN CC[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1[O-])C(=O)OC ZINC000895119272 683969829 /nfs/dbraw/zinc/96/98/29/683969829.db2.gz BRNFYOQLDUPEJP-SECBINFHSA-N 0 3 346.221 2.452 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929969985 1206523493 /nfs/dbraw/zinc/52/34/93/1206523493.db2.gz GSYLWXDZLFHVSV-DFEOGRTESA-N 0 3 333.428 2.177 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929969985 1206523494 /nfs/dbraw/zinc/52/34/94/1206523494.db2.gz GSYLWXDZLFHVSV-DFEOGRTESA-N 0 3 333.428 2.177 10 10 EECEHN Cc1ccc(O)c([C@H](C)NCCS(=O)(=O)CC(F)(F)F)c1 ZINC000850519841 1277258307 /nfs/dbraw/zinc/25/83/07/1277258307.db2.gz PULSBDYUHPEVEI-JTQLQIEISA-N 0 3 325.352 2.328 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)C2CCC(O)CC2)cc1C ZINC001568843923 1124862962 /nfs/dbraw/zinc/86/29/62/1124862962.db2.gz VZOGKCVKWQNYOY-ARJAWSKDSA-N 0 3 346.471 2.317 10 10 EECEHN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000116798377 533718042 /nfs/dbraw/zinc/71/80/42/533718042.db2.gz KMWFZYFRCNCOMV-IBGZPJMESA-N 0 3 341.455 2.497 10 10 EECEHN COc1ccc(O)c(CN2CCC(N(C)c3cccnn3)CC2)c1 ZINC000180080186 464237294 /nfs/dbraw/zinc/23/72/94/464237294.db2.gz OLSDWDMXXOISEC-UHFFFAOYSA-N 0 3 328.416 2.292 10 10 EECEHN CN(C)c1ccc(CNC(=O)N2CC[C@H](N3CC=CC3)C2)cc1F ZINC000174442723 464407975 /nfs/dbraw/zinc/40/79/75/464407975.db2.gz QTUOJZJPIQMHID-HNNXBMFYSA-N 0 3 332.423 2.047 10 10 EECEHN COc1ccc(CNC(=O)NC[C@H]2CCN2C2CCCC2)c(O)c1 ZINC000528297215 467678891 /nfs/dbraw/zinc/67/88/91/467678891.db2.gz UKEJYXRDZJRTIU-OAHLLOKOSA-N 0 3 333.432 2.217 10 10 EECEHN Oc1cc2c(cc1CN1CCC(c3nnc4n3CCC4)CC1)OCO2 ZINC000365662740 534449071 /nfs/dbraw/zinc/44/90/71/534449071.db2.gz VTROBVYWGCYHSF-UHFFFAOYSA-N 0 3 342.399 2.038 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2C[C@@]23CCOC3)cc1C ZINC001483080029 1188441264 /nfs/dbraw/zinc/44/12/64/1188441264.db2.gz KANWFRJCTURVOG-NKFSZRILSA-N 0 3 344.455 2.192 10 10 EECEHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868358264 1201797777 /nfs/dbraw/zinc/79/77/77/1201797777.db2.gz NXCWCDOKRWVYJH-CVEARBPZSA-N 0 3 348.491 2.026 10 10 EECEHN CCOc1ccc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000850342920 1277189047 /nfs/dbraw/zinc/18/90/47/1277189047.db2.gz OQSAEEMYLXEWGK-UHFFFAOYSA-N 0 3 327.446 2.095 10 10 EECEHN CC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccccc1[O-] ZINC000850518781 1277256140 /nfs/dbraw/zinc/25/61/40/1277256140.db2.gz IEFYGDRLQWRODI-LLVKDONJSA-N 0 3 325.352 2.410 10 10 EECEHN C[C@@H](NC[C@@H]1CCC(=O)N1)c1ccc(N2CCOCC2)cc1Cl ZINC000850545779 1277264730 /nfs/dbraw/zinc/26/47/30/1277264730.db2.gz FREUSYPPZRYPOS-OLZOCXBDSA-N 0 3 337.851 2.106 10 10 EECEHN Cc1ccc(O[C@H]2CCN(Cc3cc4c(cc3O)OCO4)C2)nc1 ZINC000858011827 1293987507 /nfs/dbraw/zinc/98/75/07/1293987507.db2.gz RRWZMFPFHHXFFQ-AWEZNQCLSA-N 0 3 328.368 2.478 10 10 EECEHN CN1CCN(c2ccc(CN3CCCc4n[nH]cc4C3)cc2F)CC1 ZINC001261695206 1322156751 /nfs/dbraw/zinc/15/67/51/1322156751.db2.gz JLKVMIXTOXUVSW-UHFFFAOYSA-N 0 3 343.450 2.249 10 10 EECEHN CCC/C=C/[C@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001180180022 800288586 /nfs/dbraw/zinc/28/85/86/800288586.db2.gz TVDVDCDYVSFGLI-NUQYTELCSA-N 0 3 333.476 2.189 10 10 EECEHN COC(=O)/C=C\c1ccc(N2CCN3CCC2CC3)c([N+](=O)[O-])c1 ZINC000786821651 806915167 /nfs/dbraw/zinc/91/51/67/806915167.db2.gz UZFFRHHHAZAHPM-HYXAFXHYSA-N 0 3 331.372 2.065 10 10 EECEHN Cc1ccncc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000793041513 810112022 /nfs/dbraw/zinc/11/20/22/810112022.db2.gz BVURWEBQLFWHKE-QGZVFWFLSA-N 0 3 338.455 2.382 10 10 EECEHN Cc1ccncc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000793041511 810112165 /nfs/dbraw/zinc/11/21/65/810112165.db2.gz BVURWEBQLFWHKE-KRWDZBQOSA-N 0 3 338.455 2.382 10 10 EECEHN C[C@H](CNCc1cccnc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569041018 1125060414 /nfs/dbraw/zinc/06/04/14/1125060414.db2.gz XDLGOOFRRDITDY-GFCCVEGCSA-N 0 3 340.387 2.152 10 10 EECEHN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CCN1C1CCCC1 ZINC000530213255 467964018 /nfs/dbraw/zinc/96/40/18/467964018.db2.gz OFJOAQLKVIUPKM-INIZCTEOSA-N 0 3 343.427 2.173 10 10 EECEHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(OC)c(C)cc1O ZINC000774685507 577411052 /nfs/dbraw/zinc/41/10/52/577411052.db2.gz BQEXBMDDTHTZSB-HUUCEWRRSA-N 0 3 337.416 2.252 10 10 EECEHN CN(C)C1(C(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000804734099 675610417 /nfs/dbraw/zinc/61/04/17/675610417.db2.gz DBPMGEGFAUAKRB-UHFFFAOYSA-N 0 3 327.222 2.255 10 10 EECEHN CN(C)c1ccc(/C=C/CN2CCC(N3CN=NC3=O)CC2)cc1 ZINC000894611262 682994278 /nfs/dbraw/zinc/99/42/78/682994278.db2.gz MWULIBSCAVTHLL-ONEGZZNKSA-N 0 3 327.432 2.400 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC2(COC2)O1 ZINC000929973194 1206523967 /nfs/dbraw/zinc/52/39/67/1206523967.db2.gz XYRSXFJVHSVSJK-IRXDYDNUSA-N 0 3 333.428 2.321 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCC2(COC2)O1 ZINC000929973194 1206523969 /nfs/dbraw/zinc/52/39/69/1206523969.db2.gz XYRSXFJVHSVSJK-IRXDYDNUSA-N 0 3 333.428 2.321 10 10 EECEHN CCOc1ccc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c([O-])c1 ZINC000850353306 1277195758 /nfs/dbraw/zinc/19/57/58/1277195758.db2.gz ZTQHXQMKHDAUTK-MRXNPFEDSA-N 0 3 326.396 2.468 10 10 EECEHN CO[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)[C@@H]1CCOC1 ZINC000851840857 1291879211 /nfs/dbraw/zinc/87/92/11/1291879211.db2.gz JVMRIKISGLGBJO-ZIFCJYIRSA-N 0 3 335.444 2.425 10 10 EECEHN CO[C@H](C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)[C@@H]1CCOC1 ZINC000851840857 1291879228 /nfs/dbraw/zinc/87/92/28/1291879228.db2.gz JVMRIKISGLGBJO-ZIFCJYIRSA-N 0 3 335.444 2.425 10 10 EECEHN Cc1cc(C(=O)N2CCOC3(CNC3)C2)c(C)n1-c1ccc(F)cc1 ZINC000854015242 1292583451 /nfs/dbraw/zinc/58/34/51/1292583451.db2.gz RSALSMOSCGRBLS-UHFFFAOYSA-N 0 3 343.402 2.048 10 10 EECEHN Cc1cccc(CN2CCN(c3ccc(F)cc3C(N)=O)CC2)c1O ZINC000857067126 1293712694 /nfs/dbraw/zinc/71/26/94/1293712694.db2.gz FAZIBPWYRCGOLA-UHFFFAOYSA-N 0 3 343.402 2.261 10 10 EECEHN C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(Br)cc1[O-] ZINC000863542761 1296327104 /nfs/dbraw/zinc/32/71/04/1296327104.db2.gz YZSJETFWZDVZDB-SNVBAGLBSA-N 0 3 329.238 2.313 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3oncc3C)CC2)cc1C ZINC001323583495 1333492733 /nfs/dbraw/zinc/49/27/33/1333492733.db2.gz XOVRAINETJGGSF-UHFFFAOYSA-N 0 3 329.400 2.352 10 10 EECEHN COc1ccc(N2CCCN(C(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC000847365325 1337983037 /nfs/dbraw/zinc/98/30/37/1337983037.db2.gz KGKDYBOQXAMPGK-INIZCTEOSA-N 0 3 331.460 2.076 10 10 EECEHN COc1ccc(N2CC[C@@H](CNCc3cn4cccnc4n3)C2)cc1 ZINC000822494095 787220454 /nfs/dbraw/zinc/22/04/54/787220454.db2.gz GHXVSLRDSYJSBQ-HNNXBMFYSA-N 0 3 337.427 2.354 10 10 EECEHN Cc1ccccc1CC(=O)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000095970943 463119374 /nfs/dbraw/zinc/11/93/74/463119374.db2.gz VWFIVEIUXBQDDA-UHFFFAOYSA-N 0 3 341.430 2.403 10 10 EECEHN CCOCc1cc(CNC[C@H]2CN(C3CC3)CCO2)ccc1OC ZINC000171646065 463898929 /nfs/dbraw/zinc/89/89/29/463898929.db2.gz PROGIRUETTWXSB-SFHVURJKSA-N 0 3 334.460 2.185 10 10 EECEHN CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000284399358 464178732 /nfs/dbraw/zinc/17/87/32/464178732.db2.gz MZBNLWZQXSLTRS-AWEZNQCLSA-N 0 3 336.432 2.290 10 10 EECEHN CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000284399358 464178727 /nfs/dbraw/zinc/17/87/27/464178727.db2.gz MZBNLWZQXSLTRS-AWEZNQCLSA-N 0 3 336.432 2.290 10 10 EECEHN Cc1cccc(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)c1[O-] ZINC000180095422 464240846 /nfs/dbraw/zinc/24/08/46/464240846.db2.gz JYAJRQULUYZWTA-UHFFFAOYSA-N 0 3 328.460 2.494 10 10 EECEHN Cc1cccc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)c1[O-] ZINC000180095422 464240851 /nfs/dbraw/zinc/24/08/51/464240851.db2.gz JYAJRQULUYZWTA-UHFFFAOYSA-N 0 3 328.460 2.494 10 10 EECEHN CCOc1cccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1[O-] ZINC000282853501 464975637 /nfs/dbraw/zinc/97/56/37/464975637.db2.gz PRASFNAJFKDIJP-MAUKXSAKSA-N 0 3 335.444 2.448 10 10 EECEHN C[C@H](NCC[C@H](C)[S@](C)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000773066033 577313641 /nfs/dbraw/zinc/31/36/41/577313641.db2.gz SRPJRDZCMLIQDF-QIPPXTIRSA-N 0 3 342.480 2.470 10 10 EECEHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](C(C)C)C1)cc2=O ZINC000755993544 577835898 /nfs/dbraw/zinc/83/58/98/577835898.db2.gz CXSKUQBXQBSQFS-LBPRGKRZSA-N 0 3 332.404 2.090 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@H]3C[C@H](C)CO3)CC2)cc1C ZINC001269455791 1184280209 /nfs/dbraw/zinc/28/02/09/1184280209.db2.gz LPPWPOYECLIAMA-SUMWQHHRSA-N 0 3 332.444 2.167 10 10 EECEHN C[C@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1O ZINC000868783476 1201878463 /nfs/dbraw/zinc/87/84/63/1201878463.db2.gz MOICTWIFSPRZFQ-DZGCQCFKSA-N 0 3 333.432 2.006 10 10 EECEHN Cc1cccc(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1O ZINC000856534998 1293559676 /nfs/dbraw/zinc/55/96/76/1293559676.db2.gz KKMXXDITCCFQBV-DLBZAZTESA-N 0 3 325.412 2.051 10 10 EECEHN Cc1cc(Br)cc(CNC2(C(=O)N(C)C)CC2)c1O ZINC000840957364 1315446386 /nfs/dbraw/zinc/44/63/86/1315446386.db2.gz LINBOYMGUVHGQT-UHFFFAOYSA-N 0 3 327.222 2.174 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2cccnc2)cc1C ZINC001568807489 1124823170 /nfs/dbraw/zinc/82/31/70/1124823170.db2.gz QHLPIIODHXMQGA-ARJAWSKDSA-N 0 3 325.412 2.474 10 10 EECEHN CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000271661281 464356828 /nfs/dbraw/zinc/35/68/28/464356828.db2.gz DJZUTLHFMPUADW-JKSUJKDBSA-N 0 3 328.416 2.362 10 10 EECEHN Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2=O)n(C)n1 ZINC000183662246 464894140 /nfs/dbraw/zinc/89/41/40/464894140.db2.gz PPBCLOOZXVTMNG-HIFRSBDPSA-N 0 3 328.416 2.280 10 10 EECEHN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(OCC)ccc1O ZINC000364326263 466694386 /nfs/dbraw/zinc/69/43/86/466694386.db2.gz GASLKYRKJLQETC-ZBFHGGJFSA-N 0 3 337.416 2.333 10 10 EECEHN CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000376019431 529124124 /nfs/dbraw/zinc/12/41/24/529124124.db2.gz AQFDYDADMXSBQF-HXUWFJFHSA-N 0 3 346.471 2.293 10 10 EECEHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000774686125 577411156 /nfs/dbraw/zinc/41/11/56/577411156.db2.gz AIDCFROILRSMHR-IAGOWNOFSA-N 0 3 333.428 2.423 10 10 EECEHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000774686125 577411158 /nfs/dbraw/zinc/41/11/58/577411158.db2.gz AIDCFROILRSMHR-IAGOWNOFSA-N 0 3 333.428 2.423 10 10 EECEHN Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1[O-] ZINC000776224371 577454979 /nfs/dbraw/zinc/45/49/79/577454979.db2.gz SVGICXJGDDLBKR-NHYWBVRUSA-N 0 3 348.834 2.371 10 10 EECEHN C[C@@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccc(N(C)C)cc1 ZINC000776237565 577455385 /nfs/dbraw/zinc/45/53/85/577455385.db2.gz HHJJETFBVQDWIA-QAPCUYQASA-N 0 3 328.460 2.469 10 10 EECEHN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](C(C)C)C1)cc2=O ZINC000755993542 577835891 /nfs/dbraw/zinc/83/58/91/577835891.db2.gz CXSKUQBXQBSQFS-GFCCVEGCSA-N 0 3 332.404 2.090 10 10 EECEHN COc1cnc(F)c(CNCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000895606330 684665981 /nfs/dbraw/zinc/66/59/81/684665981.db2.gz CNDUIKRQTSAXSL-UHFFFAOYSA-N 0 3 344.434 2.271 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1C ZINC001269494306 1184316812 /nfs/dbraw/zinc/31/68/12/1184316812.db2.gz YAEAMJKJOBDVGG-NUJGCVRESA-N 0 3 344.455 2.310 10 10 EECEHN COc1cc(Br)cc(C[NH2+][C@@H](CO)C2CCC2)c1[O-] ZINC000850350420 1277194227 /nfs/dbraw/zinc/19/42/27/1277194227.db2.gz RHTZKEVGJYRGGW-LBPRGKRZSA-N 0 3 330.222 2.414 10 10 EECEHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c([O-])c1 ZINC000858488642 1294131899 /nfs/dbraw/zinc/13/18/99/1294131899.db2.gz JHNDMPGZYJNZJN-ZIAGYGMSSA-N 0 3 338.415 2.068 10 10 EECEHN COc1c([O-])c(CN2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000903959262 1331618667 /nfs/dbraw/zinc/61/86/67/1331618667.db2.gz DDOKFPQUNITBIU-KRWDZBQOSA-N 0 3 335.404 2.275 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)C[C@@H]2C=CCCC2)cc1C ZINC001331738791 1335065306 /nfs/dbraw/zinc/06/53/06/1335065306.db2.gz IZARDDTWJRXTLG-SJLPKXTDSA-N 0 3 346.471 2.317 10 10 EECEHN Cc1cc[nH]c(=O)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001603556209 1350718970 /nfs/dbraw/zinc/71/89/70/1350718970.db2.gz WNSUQQRYXYYWML-MRXNPFEDSA-N 0 3 342.443 2.194 10 10 EECEHN OC1(C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)CC1 ZINC000846009366 790021570 /nfs/dbraw/zinc/02/15/70/790021570.db2.gz YCFIHINVWYASBM-UHFFFAOYSA-N 0 3 334.435 2.399 10 10 EECEHN COCCN1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1=O ZINC000189299511 464470553 /nfs/dbraw/zinc/47/05/53/464470553.db2.gz BXJLDXQYUCTKCC-UHFFFAOYSA-N 0 3 328.412 2.226 10 10 EECEHN COCCN1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1=O ZINC000189299511 464470558 /nfs/dbraw/zinc/47/05/58/464470558.db2.gz BXJLDXQYUCTKCC-UHFFFAOYSA-N 0 3 328.412 2.226 10 10 EECEHN CCOCc1cc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)ccc1OC ZINC000363264297 466317301 /nfs/dbraw/zinc/31/73/01/466317301.db2.gz LCEPRLYOISGDTB-KBRIMQKVSA-N 0 3 332.444 2.331 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(OC)c(C)cc1O ZINC000774685509 577411088 /nfs/dbraw/zinc/41/10/88/577411088.db2.gz BQEXBMDDTHTZSB-LSDHHAIUSA-N 0 3 337.416 2.252 10 10 EECEHN COc1ccc(O)c([C@H](C)NC(=O)Nc2cnn(CCN(C)C)c2)c1 ZINC000747558811 577946282 /nfs/dbraw/zinc/94/62/82/577946282.db2.gz YLTMHRWZDHMVCL-LBPRGKRZSA-N 0 3 347.419 2.042 10 10 EECEHN COC[C@H](CC[NH2+]Cc1cc(Br)cc(OC)c1[O-])OC ZINC000850345199 1277190247 /nfs/dbraw/zinc/19/02/47/1277190247.db2.gz OERHGPGXNOYYEZ-LBPRGKRZSA-N 0 3 348.237 2.304 10 10 EECEHN C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccccc1[O-] ZINC000858565349 1294155697 /nfs/dbraw/zinc/15/56/97/1294155697.db2.gz MXMDREHKPHYKTN-RDJZCZTQSA-N 0 3 327.428 2.339 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3cnnc(C)c3)CC2)cc1C ZINC001277043954 1300996882 /nfs/dbraw/zinc/99/68/82/1300996882.db2.gz UUEVJDYUSYNXCZ-UHFFFAOYSA-N 0 3 340.427 2.154 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3ccnnc3C)CC2)cc1C ZINC001277109519 1301309248 /nfs/dbraw/zinc/30/92/48/1301309248.db2.gz YZFRMQNJDKWYGO-UHFFFAOYSA-N 0 3 340.427 2.154 10 10 EECEHN CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000694754329 1304134708 /nfs/dbraw/zinc/13/47/08/1304134708.db2.gz RZYUISJPBWYXRU-IBGZPJMESA-N 0 3 325.456 2.298 10 10 EECEHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000843427988 1315913278 /nfs/dbraw/zinc/91/32/78/1315913278.db2.gz DZKAZOWFNYDQCR-KRWDZBQOSA-N 0 3 344.503 2.229 10 10 EECEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CC(N)=O)c1[O-] ZINC000848534311 1338716680 /nfs/dbraw/zinc/71/66/80/1338716680.db2.gz ZFFRLKSJSUXWFN-HTQZYQBOSA-N 0 3 331.210 2.078 10 10 EECEHN Cc1ccc([C@@H](CNC(=O)Cc2ccc(O)c(O)c2)N(C)C)cc1 ZINC001597975256 1349934105 /nfs/dbraw/zinc/93/41/05/1349934105.db2.gz ZXMHLOXKHXONTH-MRXNPFEDSA-N 0 3 328.412 2.368 10 10 EECEHN COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC001659815819 1354387470 /nfs/dbraw/zinc/38/74/70/1354387470.db2.gz VGMOLINIBOJZQP-LBPRGKRZSA-N 0 3 328.368 2.468 10 10 EECEHN COC[C@@](C)(O)CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000824559138 788214652 /nfs/dbraw/zinc/21/46/52/788214652.db2.gz HKNWYOPHOMHOKQ-AWEZNQCLSA-N 0 3 332.238 2.340 10 10 EECEHN CCC/C=C/[C@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001180180024 800288752 /nfs/dbraw/zinc/28/87/52/800288752.db2.gz TVDVDCDYVSFGLI-XDIYQJDNSA-N 0 3 333.476 2.189 10 10 EECEHN COc1cc(O)c(CN2CCC(Nc3cccnn3)CC2)cc1OC ZINC000160285893 237236853 /nfs/dbraw/zinc/23/68/53/237236853.db2.gz PLBNKAQZUGZJNT-UHFFFAOYSA-N 0 3 344.415 2.276 10 10 EECEHN CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000065578608 462801393 /nfs/dbraw/zinc/80/13/93/462801393.db2.gz XZFLZOQDBWYEJC-CYBMUJFWSA-N 0 3 348.443 2.494 10 10 EECEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000246014261 464534201 /nfs/dbraw/zinc/53/42/01/464534201.db2.gz ZBIUAWSJNQONGS-YQQAZPJKSA-N 0 3 334.460 2.474 10 10 EECEHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000246014261 464534208 /nfs/dbraw/zinc/53/42/08/464534208.db2.gz ZBIUAWSJNQONGS-YQQAZPJKSA-N 0 3 334.460 2.474 10 10 EECEHN Cc1cc(N2CCC[C@@H](NCc3cccc(C)c3O)C2=O)n(C)n1 ZINC000182482807 464666017 /nfs/dbraw/zinc/66/60/17/464666017.db2.gz RPRRDMOLKDTLHO-OAHLLOKOSA-N 0 3 328.416 2.028 10 10 EECEHN Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(C)c3[O-])C2=O)n(C)n1 ZINC000182482807 464666025 /nfs/dbraw/zinc/66/60/25/464666025.db2.gz RPRRDMOLKDTLHO-OAHLLOKOSA-N 0 3 328.416 2.028 10 10 EECEHN CCOc1cccc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1[O-] ZINC000377721308 467125870 /nfs/dbraw/zinc/12/58/70/467125870.db2.gz MICSRKZGIWDNSZ-CYBMUJFWSA-N 0 3 328.416 2.543 10 10 EECEHN CCOc1cccc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1[O-] ZINC000377721308 467125871 /nfs/dbraw/zinc/12/58/71/467125871.db2.gz MICSRKZGIWDNSZ-CYBMUJFWSA-N 0 3 328.416 2.543 10 10 EECEHN COCCN1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773307000 577331818 /nfs/dbraw/zinc/33/18/18/577331818.db2.gz NBXNRWIIXHPTNQ-QAPCUYQASA-N 0 3 348.491 2.224 10 10 EECEHN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnn(CCN(C)C)c2)c1 ZINC000747558810 577946319 /nfs/dbraw/zinc/94/63/19/577946319.db2.gz YLTMHRWZDHMVCL-GFCCVEGCSA-N 0 3 347.419 2.042 10 10 EECEHN C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CCN1C ZINC000914201115 683356183 /nfs/dbraw/zinc/35/61/83/683356183.db2.gz XCLXVWVDRFSGCA-YOEHRIQHSA-N 0 3 348.516 2.132 10 10 EECEHN CC[C@@H](C[NH2+]Cc1cc(Br)cc(OC)c1[O-])C(=O)OC ZINC000895119273 683969703 /nfs/dbraw/zinc/96/97/03/683969703.db2.gz BRNFYOQLDUPEJP-VIFPVBQESA-N 0 3 346.221 2.452 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)C2=CCOCC2)cc1C ZINC001268534778 1183194228 /nfs/dbraw/zinc/19/42/28/1183194228.db2.gz RAKTYYKYTFBRKM-ONEGZZNKSA-N 0 3 330.428 2.112 10 10 EECEHN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001158716921 1319397001 /nfs/dbraw/zinc/39/70/01/1319397001.db2.gz IPVFHWVAPABUMS-NKGKWGDASA-N 0 3 333.476 2.143 10 10 EECEHN COC[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-])OC ZINC000848543857 1338718011 /nfs/dbraw/zinc/71/80/11/1338718011.db2.gz HTAFFCZZALTDKC-MWLCHTKSSA-N 0 3 348.237 2.475 10 10 EECEHN C[C@@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC001655349761 1354170925 /nfs/dbraw/zinc/17/09/25/1354170925.db2.gz RTRJZZXOIGSECZ-GFCCVEGCSA-N 0 3 348.424 2.085 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H](C)n2cccn2)cc1C ZINC001668721104 1355992630 /nfs/dbraw/zinc/99/26/30/1355992630.db2.gz UJQWKKWUXKQHGK-YIEVGGLXSA-N 0 3 342.443 2.223 10 10 EECEHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000925782109 775635969 /nfs/dbraw/zinc/63/59/69/775635969.db2.gz KXOMYPKJUOCKLC-PWSUYJOCSA-N 0 3 328.359 2.074 10 10 EECEHN C[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000818362121 785256656 /nfs/dbraw/zinc/25/66/56/785256656.db2.gz PPPUPAFZVRDUHA-PBHICJAKSA-N 0 3 329.444 2.475 10 10 EECEHN COC(=O)CC1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000846027385 790027089 /nfs/dbraw/zinc/02/70/89/790027089.db2.gz OGNIMAYDSKFUDX-UHFFFAOYSA-N 0 3 344.205 2.349 10 10 EECEHN CCCC[N@H+](CCC(=O)N(C)CC(=O)OC)Cc1ccccc1[O-] ZINC001473423894 1110575433 /nfs/dbraw/zinc/57/54/33/1110575433.db2.gz FPYPOVXCSACRGY-UHFFFAOYSA-N 0 3 336.432 2.016 10 10 EECEHN CCCC[N@@H+](CCC(=O)N(C)CC(=O)OC)Cc1ccccc1[O-] ZINC001473423894 1110575435 /nfs/dbraw/zinc/57/54/35/1110575435.db2.gz FPYPOVXCSACRGY-UHFFFAOYSA-N 0 3 336.432 2.016 10 10 EECEHN COc1ccc(CNCc2cccnc2N2CCN(C)CC2)cc1C ZINC000071834560 463436348 /nfs/dbraw/zinc/43/63/48/463436348.db2.gz ZQDMLOLWJAFBKI-UHFFFAOYSA-N 0 3 340.471 2.440 10 10 EECEHN CCCN1CCC[C@H]1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000753737591 577792526 /nfs/dbraw/zinc/79/25/26/577792526.db2.gz GUAHCUWOUPRUDW-KRWDZBQOSA-N 0 3 349.450 2.357 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)C2CCCCC2)cc1C ZINC001485968525 1193656643 /nfs/dbraw/zinc/65/66/43/1193656643.db2.gz FZUGPPXDWZRMKY-KRWDZBQOSA-N 0 3 334.460 2.151 10 10 EECEHN C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1ccccc1[O-] ZINC001197005181 1284397924 /nfs/dbraw/zinc/39/79/24/1284397924.db2.gz ZRWMKNQLUVQOLY-ZDUSSCGKSA-N 0 3 327.384 2.069 10 10 EECEHN CC[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(C)cc1[O-] ZINC000858465373 1294124668 /nfs/dbraw/zinc/12/46/68/1294124668.db2.gz FBRHPPFAUZTREJ-FXAWDEMLSA-N 0 3 348.487 2.357 10 10 EECEHN COc1cc(CN2CCN(CCO)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC001118577655 1308888331 /nfs/dbraw/zinc/88/83/31/1308888331.db2.gz JBVKCAOYKAFWAU-AWEZNQCLSA-N 0 3 336.476 2.197 10 10 EECEHN COc1cc(CN2CCN(CCO)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001118577656 1308888590 /nfs/dbraw/zinc/88/85/90/1308888590.db2.gz JBVKCAOYKAFWAU-CQSZACIVSA-N 0 3 336.476 2.197 10 10 EECEHN CN(C)c1ccc(CNC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000842723152 1315761648 /nfs/dbraw/zinc/76/16/48/1315761648.db2.gz YZLPASJRUVOZBS-MRXNPFEDSA-N 0 3 346.452 2.077 10 10 EECEHN CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001261673372 1322151610 /nfs/dbraw/zinc/15/16/10/1322151610.db2.gz RQEXVYMDWLSFLL-SFHVURJKSA-N 0 3 330.476 2.475 10 10 EECEHN C[C@@H](CN1CCOCC1)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001652842086 1354105435 /nfs/dbraw/zinc/10/54/35/1354105435.db2.gz IIYHWYMTEXRYAE-PKOBYXMFSA-N 0 3 348.487 2.342 10 10 EECEHN C[C@@H](CN1CCOCC1)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001652842086 1354105439 /nfs/dbraw/zinc/10/54/39/1354105439.db2.gz IIYHWYMTEXRYAE-PKOBYXMFSA-N 0 3 348.487 2.342 10 10 EECEHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000824516520 788198516 /nfs/dbraw/zinc/19/85/16/788198516.db2.gz MHHQLFJDKVDQBN-GFCCVEGCSA-N 0 3 333.409 2.062 10 10 EECEHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccc(C(N)=O)cc1 ZINC001175426487 798104382 /nfs/dbraw/zinc/10/43/82/798104382.db2.gz JIFHLRQQTBVJIJ-NWDGAFQWSA-N 0 3 327.384 2.169 10 10 EECEHN CCN(C)c1ccc(CNC(=O)C(C)S(=O)(=O)C(C)C)cc1F ZINC000069633328 463292611 /nfs/dbraw/zinc/29/26/11/463292611.db2.gz SJZJRWJMKHMBQF-GFCCVEGCSA-N 0 3 344.452 2.110 10 10 EECEHN Cc1nn(C)c(C)c1CN1CCN(Cc2cccc(C)c2O)CC1 ZINC000180103286 464242185 /nfs/dbraw/zinc/24/21/85/464242185.db2.gz GBQVEMOFLAHEGA-UHFFFAOYSA-N 0 3 328.460 2.369 10 10 EECEHN CCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC000245753552 464513006 /nfs/dbraw/zinc/51/30/06/464513006.db2.gz OFYGNCMOUBROCJ-QAPCUYQASA-N 0 3 334.460 2.334 10 10 EECEHN CCCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c([O-])c1 ZINC000245753552 464513012 /nfs/dbraw/zinc/51/30/12/464513012.db2.gz OFYGNCMOUBROCJ-QAPCUYQASA-N 0 3 334.460 2.334 10 10 EECEHN CN(C)c1ccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cc1F ZINC000372468985 466402760 /nfs/dbraw/zinc/40/27/60/466402760.db2.gz PURSCZGSYFVFDK-VVFCZOMOSA-N 0 3 349.450 2.040 10 10 EECEHN COC(=O)c1c(CNC[C@H](O)C2CCC2)c2cc(F)ccc2n1C ZINC000894941805 683423029 /nfs/dbraw/zinc/42/30/29/683423029.db2.gz NSDLWZNIKFWGDN-INIZCTEOSA-N 0 3 334.391 2.355 10 10 EECEHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c1[O-] ZINC000850545661 1277265201 /nfs/dbraw/zinc/26/52/01/1277265201.db2.gz DHVWDSSEMXMIQN-ONGXEEELSA-N 0 3 327.222 2.392 10 10 EECEHN CCN(C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCN(C)C1 ZINC000854297749 1292708993 /nfs/dbraw/zinc/70/89/93/1292708993.db2.gz WDMNZNSXIMXMDO-RDJZCZTQSA-N 0 3 346.475 2.010 10 10 EECEHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000840269592 1315341187 /nfs/dbraw/zinc/34/11/87/1315341187.db2.gz YMONEHZPXRGFJK-NVXWUHKLSA-N 0 3 332.492 2.385 10 10 EECEHN Cc1c(CN(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)cnn1C ZINC001256253586 1318695897 /nfs/dbraw/zinc/69/58/97/1318695897.db2.gz BOQXHQKUYKXPFY-UHFFFAOYSA-N 0 3 345.466 2.251 10 10 EECEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000925782105 775632234 /nfs/dbraw/zinc/63/22/34/775632234.db2.gz KXOMYPKJUOCKLC-CMPLNLGQSA-N 0 3 328.359 2.074 10 10 EECEHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000925782107 775632717 /nfs/dbraw/zinc/63/27/17/775632717.db2.gz KXOMYPKJUOCKLC-JQWIXIFHSA-N 0 3 328.359 2.074 10 10 EECEHN O[C@@H]([C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1)C(F)(F)F ZINC000825124204 788447659 /nfs/dbraw/zinc/44/76/59/788447659.db2.gz JZWQHUWYDCJDJE-HOCLYGCPSA-N 0 3 344.377 2.268 10 10 EECEHN CCc1nnc(N(C)Cc2ccccc2O)n1CCN1CC=CCC1 ZINC001513793396 1118741094 /nfs/dbraw/zinc/74/10/94/1118741094.db2.gz GVYOIAQMGDEUAK-UHFFFAOYSA-N 0 3 341.459 2.444 10 10 EECEHN CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000285095689 464452510 /nfs/dbraw/zinc/45/25/10/464452510.db2.gz MYTSVVMQWLVELF-HNNXBMFYSA-N 0 3 348.468 2.401 10 10 EECEHN CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000285095689 464452516 /nfs/dbraw/zinc/45/25/16/464452516.db2.gz MYTSVVMQWLVELF-HNNXBMFYSA-N 0 3 348.468 2.401 10 10 EECEHN CN(C)c1ccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1F ZINC000372468984 466403485 /nfs/dbraw/zinc/40/34/85/466403485.db2.gz PURSCZGSYFVFDK-URKNILKWSA-N 0 3 349.450 2.040 10 10 EECEHN C[C@@H](NCC(=O)N1CCOC[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000775836999 577446959 /nfs/dbraw/zinc/44/69/59/577446959.db2.gz QAFNUCLTDJDWQL-KDOFPFPSSA-N 0 3 331.460 2.041 10 10 EECEHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000757404851 577859524 /nfs/dbraw/zinc/85/95/24/577859524.db2.gz GBJBOTHQCPICPW-IEBWSBKVSA-N 0 3 345.487 2.212 10 10 EECEHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c([O-])c1 ZINC000757657817 577861999 /nfs/dbraw/zinc/86/19/99/577861999.db2.gz QZIGTHWNGOGTNR-ZBFHGGJFSA-N 0 3 342.443 2.276 10 10 EECEHN Cc1nc(CN2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000895263451 684407737 /nfs/dbraw/zinc/40/77/37/684407737.db2.gz ULQLRTQYAYFDFC-SNAWJCMRSA-N 0 3 340.475 2.010 10 10 EECEHN CN(CCF)C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267708950 1180230446 /nfs/dbraw/zinc/23/04/46/1180230446.db2.gz RYGZYVHDAGNQTB-LBPRGKRZSA-N 0 3 335.383 2.212 10 10 EECEHN COCC[C@H](COC)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000810173964 1199352170 /nfs/dbraw/zinc/35/21/70/1199352170.db2.gz LRZWBISZXUFBQA-GFCCVEGCSA-N 0 3 348.237 2.304 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2nn(C)cc2C)cc1C ZINC001274018113 1204325568 /nfs/dbraw/zinc/32/55/68/1204325568.db2.gz XQOLJRPMJUCUJA-AATRIKPKSA-N 0 3 342.443 2.121 10 10 EECEHN CCOc1ccc(N2CCN(C[C@@H](OC)[C@H]3CCOC3)CC2)cc1 ZINC001118496017 1308867494 /nfs/dbraw/zinc/86/74/94/1308867494.db2.gz KVTWHKFJLGIDJL-QFBILLFUSA-N 0 3 334.460 2.259 10 10 EECEHN Fc1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc(F)c1N1CCOCC1 ZINC001333583096 1336079739 /nfs/dbraw/zinc/07/97/39/1336079739.db2.gz QBIQLDCZMGLCHB-WMLDXEAASA-N 0 3 338.398 2.459 10 10 EECEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@](C)(CO)OC)c1[O-] ZINC000848556200 1338721029 /nfs/dbraw/zinc/72/10/29/1338721029.db2.gz PVASXIYNYQFYDU-LKFCYVNXSA-N 0 3 348.237 2.211 10 10 EECEHN CO[C@@](C)(CO)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000848558261 1338721197 /nfs/dbraw/zinc/72/11/97/1338721197.db2.gz LAAJPPKSRZIQQW-CXAGYDPISA-N 0 3 342.867 2.225 10 10 EECEHN Cc1cc(C(=O)N(C)CCN(C)CCO)c(C)n1-c1ccccc1C ZINC001630593714 1352571320 /nfs/dbraw/zinc/57/13/20/1352571320.db2.gz OTDAHALZXNCYBV-UHFFFAOYSA-N 0 3 343.471 2.399 10 10 EECEHN CN1CCN(c2ccc(CN3CCOC[C@H]3CC(F)F)cc2)CC1 ZINC000809713074 783329198 /nfs/dbraw/zinc/32/91/98/783329198.db2.gz YKMTYSJLWWTLSW-QGZVFWFLSA-N 0 3 339.430 2.294 10 10 EECEHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000121527446 463151719 /nfs/dbraw/zinc/15/17/19/463151719.db2.gz BHVJLPHDTUQEOG-CYBMUJFWSA-N 0 3 333.457 2.251 10 10 EECEHN CCC[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(C)C ZINC000122726776 463286689 /nfs/dbraw/zinc/28/66/89/463286689.db2.gz TYTUERMEELJZRM-GOSISDBHSA-N 0 3 333.476 2.212 10 10 EECEHN COC(=O)[C@H]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295638409 464912959 /nfs/dbraw/zinc/91/29/59/464912959.db2.gz YBIIVDKHZDGAEQ-INIZCTEOSA-N 0 3 332.444 2.297 10 10 EECEHN COC[C@](C)(CCO)NCc1ccc(N2CCC(OC)CC2)cc1 ZINC000295658028 464919306 /nfs/dbraw/zinc/91/93/06/464919306.db2.gz ADWFLKOVCCNABV-IBGZPJMESA-N 0 3 336.476 2.179 10 10 EECEHN CNC(=O)CCOC1CC[NH+](Cc2cc3c(cc2[O-])CCCC3)CC1 ZINC000768462702 577556291 /nfs/dbraw/zinc/55/62/91/577556291.db2.gz BZAGINUDLUCKOZ-UHFFFAOYSA-N 0 3 346.471 2.388 10 10 EECEHN CCn1ccc(C(=O)NC/C=C/CNCc2ccc(OC)c(C)c2)n1 ZINC001268595147 1183428523 /nfs/dbraw/zinc/42/85/23/1183428523.db2.gz HKGZWFXKKCSKLS-AATRIKPKSA-N 0 3 342.443 2.296 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1CCC2(COC2)O1 ZINC000929973193 1206523819 /nfs/dbraw/zinc/52/38/19/1206523819.db2.gz XYRSXFJVHSVSJK-IAGOWNOFSA-N 0 3 333.428 2.321 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@H]1CCC2(COC2)O1 ZINC000929973193 1206523821 /nfs/dbraw/zinc/52/38/21/1206523821.db2.gz XYRSXFJVHSVSJK-IAGOWNOFSA-N 0 3 333.428 2.321 10 10 EECEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c([O-])c1 ZINC000858488639 1294131530 /nfs/dbraw/zinc/13/15/30/1294131530.db2.gz JHNDMPGZYJNZJN-KBPBESRZSA-N 0 3 338.415 2.068 10 10 EECEHN CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000862551481 1295876731 /nfs/dbraw/zinc/87/67/31/1295876731.db2.gz NJRNEWREJAUAEI-CQSZACIVSA-N 0 3 348.468 2.307 10 10 EECEHN CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000862551481 1295876741 /nfs/dbraw/zinc/87/67/41/1295876741.db2.gz NJRNEWREJAUAEI-CQSZACIVSA-N 0 3 348.468 2.307 10 10 EECEHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c([O-])c1C ZINC000527954522 317292099 /nfs/dbraw/zinc/29/20/99/317292099.db2.gz LRLZLENBZUIEKW-UZLBHIALSA-N 0 3 348.487 2.275 10 10 EECEHN CN(C)c1ccc(CN[C@@H]2CCC(=O)N(C)C2)c(C(F)(F)F)c1 ZINC000280828095 464258113 /nfs/dbraw/zinc/25/81/13/464258113.db2.gz JKORXUFWMUIMPF-GFCCVEGCSA-N 0 3 329.366 2.482 10 10 EECEHN CCCN(CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccccc1O ZINC000371390583 465764268 /nfs/dbraw/zinc/76/42/68/465764268.db2.gz XZXSCCHSIXIZPJ-KRWDZBQOSA-N 0 3 332.444 2.242 10 10 EECEHN CN(C)c1ccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000372468982 466402852 /nfs/dbraw/zinc/40/28/52/466402852.db2.gz PURSCZGSYFVFDK-ACWOFJMJSA-N 0 3 349.450 2.040 10 10 EECEHN COc1cccc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1[O-] ZINC000366026049 467032630 /nfs/dbraw/zinc/03/26/30/467032630.db2.gz TWOFZNVMIWIHAI-UHFFFAOYSA-N 0 3 328.416 2.292 10 10 EECEHN COc1cccc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c1[O-] ZINC000366026049 467032635 /nfs/dbraw/zinc/03/26/35/467032635.db2.gz TWOFZNVMIWIHAI-UHFFFAOYSA-N 0 3 328.416 2.292 10 10 EECEHN CCOc1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)c([O-])c1 ZINC000768651506 577560327 /nfs/dbraw/zinc/56/03/27/577560327.db2.gz POMTYFLYNMAEMC-UHFFFAOYSA-N 0 3 327.446 2.095 10 10 EECEHN C[C@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1[O-] ZINC000866522763 1201540525 /nfs/dbraw/zinc/54/05/25/1201540525.db2.gz ZRNARIUXZCFRTR-ZDUSSCGKSA-N 0 3 339.395 2.295 10 10 EECEHN Cn1ncc(C(F)(F)F)c1CNCc1cc2c(cc1O)OCO2 ZINC000858211277 1294046272 /nfs/dbraw/zinc/04/62/72/1294046272.db2.gz NDSKYFKKRWEMLV-UHFFFAOYSA-N 0 3 329.278 2.163 10 10 EECEHN COC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC001648054298 1353414923 /nfs/dbraw/zinc/41/49/23/1353414923.db2.gz UUEGGLSZBLFXFY-GFCCVEGCSA-N 0 3 328.368 2.468 10 10 EECEHN CCN1C[C@@H](CN2CCCN(c3ccc(OC)cc3)CC2)OC1=O ZINC000846777289 790539138 /nfs/dbraw/zinc/53/91/38/790539138.db2.gz IBIZVJGGAVVXIK-QGZVFWFLSA-N 0 3 333.432 2.048 10 10 EECEHN CCOc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000093012166 237041973 /nfs/dbraw/zinc/04/19/73/237041973.db2.gz WQFFOACYAUQQSP-QGZVFWFLSA-N 0 3 334.460 2.478 10 10 EECEHN CCOc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000093012166 237041980 /nfs/dbraw/zinc/04/19/80/237041980.db2.gz WQFFOACYAUQQSP-QGZVFWFLSA-N 0 3 334.460 2.478 10 10 EECEHN c1cc(CNCc2ccc(N3CCOCC3)nc2)cc2c1OCC2 ZINC000054173725 132190169 /nfs/dbraw/zinc/19/01/69/132190169.db2.gz WDTKHXCZTMBDTL-UHFFFAOYSA-N 0 3 325.412 2.143 10 10 EECEHN O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000282927198 465004176 /nfs/dbraw/zinc/00/41/76/465004176.db2.gz FPVKNFPUXRVCAO-INIZCTEOSA-N 0 3 344.386 2.301 10 10 EECEHN Cc1cccc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1[O-] ZINC000377865526 467155888 /nfs/dbraw/zinc/15/58/88/467155888.db2.gz SLOODSNMAZLBHM-INIZCTEOSA-N 0 3 346.452 2.253 10 10 EECEHN Cc1cccc(CN[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1O ZINC000377865526 467155893 /nfs/dbraw/zinc/15/58/93/467155893.db2.gz SLOODSNMAZLBHM-INIZCTEOSA-N 0 3 346.452 2.253 10 10 EECEHN CN1C(=O)c2ccccc2[C@@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000527804040 467665626 /nfs/dbraw/zinc/66/56/26/467665626.db2.gz ANHCUDGCGFYEAE-AWEZNQCLSA-N 0 3 326.352 2.037 10 10 EECEHN COc1cc(CN(C)Cc2cc3c(cc2O)OC[C@@H]3O)cc(OC)c1 ZINC000768444392 577555752 /nfs/dbraw/zinc/55/57/52/577555752.db2.gz YBTNHDDEUGDNDM-SFHVURJKSA-N 0 3 345.395 2.467 10 10 EECEHN CCN(CC)c1ccc(CN[C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000747622722 577947037 /nfs/dbraw/zinc/94/70/37/577947037.db2.gz VQDCBPPGBLSJPV-LJQANCHMSA-N 0 3 345.487 2.402 10 10 EECEHN CN(CCNC(=O)NCc1c(O)cccc1F)Cc1ccccc1 ZINC000914332925 683504831 /nfs/dbraw/zinc/50/48/31/683504831.db2.gz LJXRJMYTNFEXOC-UHFFFAOYSA-N 0 3 331.391 2.463 10 10 EECEHN COc1ccc(CNC2(CNC(=O)C[C@@H]3CCOC3)CC2)cc1C ZINC001670760355 1179167605 /nfs/dbraw/zinc/16/76/05/1179167605.db2.gz UKYGYOKUBHJZLO-INIZCTEOSA-N 0 3 332.444 2.169 10 10 EECEHN CN1CC(=O)N(CC[N@H+](Cc2ccccc2[O-])C2CCCC2)C1=O ZINC000851772043 1291820576 /nfs/dbraw/zinc/82/05/76/1291820576.db2.gz VJBVEORHEKIVAT-UHFFFAOYSA-N 0 3 331.416 2.031 10 10 EECEHN CN1CC(=O)N(CC[N@@H+](Cc2ccccc2[O-])C2CCCC2)C1=O ZINC000851772043 1291820592 /nfs/dbraw/zinc/82/05/92/1291820592.db2.gz VJBVEORHEKIVAT-UHFFFAOYSA-N 0 3 331.416 2.031 10 10 EECEHN CCn1nc(C)c([C@H](C)NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000926854977 1296941797 /nfs/dbraw/zinc/94/17/97/1296941797.db2.gz QNNKEHUWGJPRGV-HNNXBMFYSA-N 0 3 342.491 2.209 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@H]3CO[C@@H](C)C3)CC2)cc1C ZINC001277102026 1301270297 /nfs/dbraw/zinc/27/02/97/1301270297.db2.gz OYTGFYANJPCIBH-GOEBONIOSA-N 0 3 332.444 2.167 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3nc(C)c[nH]3)CC2)cc1C ZINC001277194801 1301757204 /nfs/dbraw/zinc/75/72/04/1301757204.db2.gz GEVWFQOKESIGFQ-UHFFFAOYSA-N 0 3 328.416 2.087 10 10 EECEHN COC[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-])OC ZINC000848543858 1338718363 /nfs/dbraw/zinc/71/83/63/1338718363.db2.gz HTAFFCZZALTDKC-ONGXEEELSA-N 0 3 348.237 2.475 10 10 EECEHN Cc1cc(CN2CCC(O)(c3ccnn3C)CC2)ccc1N(C)C ZINC001560115318 1342507265 /nfs/dbraw/zinc/50/72/65/1342507265.db2.gz VEDOYMNRQNVADM-UHFFFAOYSA-N 0 3 328.460 2.278 10 10 EECEHN CCCCC[C@@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001647082919 1353131972 /nfs/dbraw/zinc/13/19/72/1353131972.db2.gz XLRVLOHFQHSTOF-ZWKOTPCHSA-N 0 3 335.492 2.413 10 10 EECEHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000824655433 788258428 /nfs/dbraw/zinc/25/84/28/788258428.db2.gz WJMQWEOUYRGYFI-DFBGVHRSSA-N 0 3 341.835 2.416 10 10 EECEHN COc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000824655433 788258430 /nfs/dbraw/zinc/25/84/30/788258430.db2.gz WJMQWEOUYRGYFI-DFBGVHRSSA-N 0 3 341.835 2.416 10 10 EECEHN Cc1cc(Br)cc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c1[O-] ZINC000825130361 788450471 /nfs/dbraw/zinc/45/04/71/788450471.db2.gz WKYCVNFCQXANBB-FZMZJTMJSA-N 0 3 344.249 2.435 10 10 EECEHN Cc1cc(Br)cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)c1[O-] ZINC000825130361 788450474 /nfs/dbraw/zinc/45/04/74/788450474.db2.gz WKYCVNFCQXANBB-FZMZJTMJSA-N 0 3 344.249 2.435 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001507185949 1115147951 /nfs/dbraw/zinc/14/79/51/1115147951.db2.gz QZNFSKXZNCGWDQ-VXNCWWDNSA-N 0 3 346.471 2.007 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)c2cc(C)cs2)cc1C ZINC001507188968 1115148726 /nfs/dbraw/zinc/14/87/26/1115148726.db2.gz JISKFPLPSOWEIU-HNNXBMFYSA-N 0 3 348.468 2.254 10 10 EECEHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1[O-] ZINC000187321852 464117102 /nfs/dbraw/zinc/11/71/02/464117102.db2.gz DXEZGFPZGMJQAI-AAEUAGOBSA-N 0 3 343.265 2.444 10 10 EECEHN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN2CCC1CC2 ZINC000375118216 490778033 /nfs/dbraw/zinc/77/80/33/490778033.db2.gz WVXTUCCLWNAUCB-UHFFFAOYSA-N 0 3 326.444 2.052 10 10 EECEHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCN(C)c1ccncc1 ZINC000773741631 577362338 /nfs/dbraw/zinc/36/23/38/577362338.db2.gz LVHGWEGZHOFVKV-ZDUSSCGKSA-N 0 3 329.400 2.067 10 10 EECEHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])CCC3)CC[C@@H]1N1CCN(C)CC1 ZINC000763343983 577719556 /nfs/dbraw/zinc/71/95/56/577719556.db2.gz ZNLSNKWNAQUULZ-UZLBHIALSA-N 0 3 343.515 2.339 10 10 EECEHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])CCC3)CC[C@@H]1N1CCN(C)CC1 ZINC000763343983 577719557 /nfs/dbraw/zinc/71/95/57/577719557.db2.gz ZNLSNKWNAQUULZ-UZLBHIALSA-N 0 3 343.515 2.339 10 10 EECEHN COc1cc(C)cc(CNCc2n[nH]c(C3CCOCC3)n2)c1O ZINC000895439708 684601269 /nfs/dbraw/zinc/60/12/69/684601269.db2.gz IJFMBLRKTIMMIL-UHFFFAOYSA-N 0 3 332.404 2.011 10 10 EECEHN CCN(CC)c1ccc(CNC2(C(=O)NC)CCOCC2)cc1F ZINC000895883499 684760589 /nfs/dbraw/zinc/76/05/89/684760589.db2.gz CDGOPURHDDAARQ-UHFFFAOYSA-N 0 3 337.439 2.057 10 10 EECEHN O=C(NCc1c([O-])cccc1F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000928706887 687123492 /nfs/dbraw/zinc/12/34/92/687123492.db2.gz YONRHUHDFVFDBZ-ZDUSSCGKSA-N 0 3 338.448 2.365 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2cccn2C)cc1C ZINC001482983330 1187937115 /nfs/dbraw/zinc/93/71/15/1187937115.db2.gz BZGQLLQCVQGJLE-PLNGDYQASA-N 0 3 327.428 2.418 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001483063150 1188379833 /nfs/dbraw/zinc/37/98/33/1188379833.db2.gz TVGVKOURVASKTG-CBIZUDFQSA-N 0 3 344.455 2.333 10 10 EECEHN COc1ccc(CNC2(CNC(=O)C[C@H]3CCCO3)CC2)cc1C ZINC001483720397 1190816713 /nfs/dbraw/zinc/81/67/13/1190816713.db2.gz WOLGUQXCYFBAOW-MRXNPFEDSA-N 0 3 332.444 2.311 10 10 EECEHN CNC(=O)C[C@H](NCc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000795600992 1214391652 /nfs/dbraw/zinc/39/16/52/1214391652.db2.gz IJTVLCMOJYKFNY-AWEZNQCLSA-N 0 3 328.368 2.088 10 10 EECEHN Cc1ccc(O[C@@H]2CCN(Cc3cc4c(cc3O)OCO4)C2)nc1 ZINC000858011828 1293987772 /nfs/dbraw/zinc/98/77/72/1293987772.db2.gz RRWZMFPFHHXFFQ-CQSZACIVSA-N 0 3 328.368 2.478 10 10 EECEHN C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccccc1[O-] ZINC000858565350 1294155682 /nfs/dbraw/zinc/15/56/82/1294155682.db2.gz MXMDREHKPHYKTN-WBVHZDCISA-N 0 3 327.428 2.339 10 10 EECEHN C[C@H](CNCc1ccccn1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001321759483 1333154073 /nfs/dbraw/zinc/15/40/73/1333154073.db2.gz DCMHNDHPQYDZDV-GFCCVEGCSA-N 0 3 340.387 2.152 10 10 EECEHN COc1ccc(CNC2(CNC(=O)C(=O)C(C)(C)C)CC2)cc1C ZINC001323410795 1333458845 /nfs/dbraw/zinc/45/88/45/1333458845.db2.gz CPBSGSLDYGVWGO-UHFFFAOYSA-N 0 3 332.444 2.357 10 10 EECEHN CCN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCN(C)C1 ZINC001330664590 1334884432 /nfs/dbraw/zinc/88/44/32/1334884432.db2.gz HFYOCJVDUDSIRU-QGZVFWFLSA-N 0 3 330.476 2.305 10 10 EECEHN O=S1(=O)C[C@H](CNCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000824517248 788198875 /nfs/dbraw/zinc/19/88/75/788198875.db2.gz RTIPZUNWJWUJLN-HNNXBMFYSA-N 0 3 329.421 2.282 10 10 EECEHN CN(C)c1ccc([C@@H](CNC(=O)c2ncc(Cl)cn2)N(C)C)cc1 ZINC001463276932 1110370817 /nfs/dbraw/zinc/37/08/17/1110370817.db2.gz BDQZUILWLBLGOI-OAHLLOKOSA-N 0 3 347.850 2.229 10 10 EECEHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1C ZINC000042668005 463585969 /nfs/dbraw/zinc/58/59/69/463585969.db2.gz QBLGPVBQPAXKTL-MRXNPFEDSA-N 0 3 332.444 2.080 10 10 EECEHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1C ZINC000042668005 463585973 /nfs/dbraw/zinc/58/59/73/463585973.db2.gz QBLGPVBQPAXKTL-MRXNPFEDSA-N 0 3 332.444 2.080 10 10 EECEHN CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000285095692 464452611 /nfs/dbraw/zinc/45/26/11/464452611.db2.gz MYTSVVMQWLVELF-OAHLLOKOSA-N 0 3 348.468 2.401 10 10 EECEHN CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000285095692 464452616 /nfs/dbraw/zinc/45/26/16/464452616.db2.gz MYTSVVMQWLVELF-OAHLLOKOSA-N 0 3 348.468 2.401 10 10 EECEHN COC(=O)/C=C/c1ccc(N(C)[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000266063657 464763545 /nfs/dbraw/zinc/76/35/45/464763545.db2.gz ZOVZPGWWXLTRJN-KGXGESDWSA-N 0 3 333.388 2.311 10 10 EECEHN COc1cc(Br)cc(C[NH2+][C@H]2CCCN(C)C2)c1[O-] ZINC000725846511 576066016 /nfs/dbraw/zinc/06/60/16/576066016.db2.gz KLASHCFTDLAKMV-LBPRGKRZSA-N 0 3 329.238 2.347 10 10 EECEHN COc1cc([O-])c(C[NH2+]CCc2cnc(C3CC3)nc2)cc1OC ZINC000776252975 577455760 /nfs/dbraw/zinc/45/57/60/577455760.db2.gz HCWZPCJNMIOQAX-UHFFFAOYSA-N 0 3 329.400 2.409 10 10 EECEHN COc1cc(Cl)cc(CN2CCC(OCCCO)CC2)c1O ZINC000761202840 577679004 /nfs/dbraw/zinc/67/90/04/577679004.db2.gz OTLINTBWSGFNRD-UHFFFAOYSA-N 0 3 329.824 2.418 10 10 EECEHN COc1ccc(O)c([C@H](C)NCC(=O)N2C[C@@H](C)OC(C)(C)C2)c1 ZINC000930217695 1206542208 /nfs/dbraw/zinc/54/22/08/1206542208.db2.gz ZIRZCJLQNZSAKM-OLZOCXBDSA-N 0 3 336.432 2.077 10 10 EECEHN CCOC(=O)[C@@H]1[C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000932054345 1207525294 /nfs/dbraw/zinc/52/52/94/1207525294.db2.gz QFIQXBQKEFAKLX-CEXWTWQISA-N 0 3 344.455 2.154 10 10 EECEHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[C@H]2O)c1[O-] ZINC000304318405 1214662450 /nfs/dbraw/zinc/66/24/50/1214662450.db2.gz LVFDILCGIFEPGC-JOYOIKCWSA-N 0 3 330.222 2.414 10 10 EECEHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000840269598 1315341202 /nfs/dbraw/zinc/34/12/02/1315341202.db2.gz YMONEHZPXRGFJK-WBVHZDCISA-N 0 3 332.492 2.385 10 10 EECEHN C[C@H](NCCOCCCO)c1ccc(N2CCOCC2)cc1Cl ZINC001325887395 1333985537 /nfs/dbraw/zinc/98/55/37/1333985537.db2.gz CJJGCAQRVYWKST-AWEZNQCLSA-N 0 3 342.867 2.226 10 10 EECEHN O=C(NCc1cc(O)ccc1O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001651223012 1354045082 /nfs/dbraw/zinc/04/50/82/1354045082.db2.gz WFGULIKJVUFYBL-HNNXBMFYSA-N 0 3 341.411 2.021 10 10 EECEHN NC(=O)N=Nc1ccc(C(=O)NC2(CNCCF)CCCC2)cc1 ZINC001665968282 1355417523 /nfs/dbraw/zinc/41/75/23/1355417523.db2.gz DJHYGYJWZOLGLN-UHFFFAOYSA-N 0 3 335.383 2.451 10 10 EECEHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c1[O-] ZINC000824455596 788192034 /nfs/dbraw/zinc/19/20/34/788192034.db2.gz UZTULKIHTPPTPP-NSHDSACASA-N 0 3 340.807 2.328 10 10 EECEHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c1[O-] ZINC000824455596 788192039 /nfs/dbraw/zinc/19/20/39/788192039.db2.gz UZTULKIHTPPTPP-NSHDSACASA-N 0 3 340.807 2.328 10 10 EECEHN COc1cc(Cl)cc(CN2CC[C@H](CN3CCOC3=O)C2)c1O ZINC000824455596 788192044 /nfs/dbraw/zinc/19/20/44/788192044.db2.gz UZTULKIHTPPTPP-NSHDSACASA-N 0 3 340.807 2.328 10 10 EECEHN NC(=O)N=Nc1ccc(C(=O)NCC2(NCCF)CCCC2)cc1 ZINC001495964053 1101845743 /nfs/dbraw/zinc/84/57/43/1101845743.db2.gz XCXUPGVIOOCYQA-UHFFFAOYSA-N 0 3 335.383 2.451 10 10 EECEHN c1cc(N2CCOCC2)ccc1CN1CCC(O[C@H]2CCOC2)CC1 ZINC000769527246 577579838 /nfs/dbraw/zinc/57/98/38/577579838.db2.gz OUMXXEPVJWPBIA-FQEVSTJZSA-N 0 3 346.471 2.293 10 10 EECEHN COc1ccc(N2CCC(NCc3cn4cccnc4n3)CC2)cc1 ZINC000758349103 577622551 /nfs/dbraw/zinc/62/25/51/577622551.db2.gz XOLNSQZZBDZFLO-UHFFFAOYSA-N 0 3 337.427 2.497 10 10 EECEHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000756780294 577850179 /nfs/dbraw/zinc/85/01/79/577850179.db2.gz QQHBBLDGWYTLIT-GFCCVEGCSA-N 0 3 327.446 2.266 10 10 EECEHN CCc1n[nH]cc1C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001670812320 1185591947 /nfs/dbraw/zinc/59/19/47/1185591947.db2.gz WGAAKRPJFVLWDR-UHFFFAOYSA-N 0 3 342.443 2.341 10 10 EECEHN CC(=O)c1cc(F)cc(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1[O-] ZINC000872147174 1198055095 /nfs/dbraw/zinc/05/50/95/1198055095.db2.gz FGUJBWAEFPNKMO-ZWNOBZJWSA-N 0 3 334.313 2.303 10 10 EECEHN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccc1[O-] ZINC000866492102 1201530154 /nfs/dbraw/zinc/53/01/54/1201530154.db2.gz DITXOLRVKIIOHJ-JGGQBBKZSA-N 0 3 336.432 2.413 10 10 EECEHN Cc1cc(CN2CCN(C[C@@H](C)O)CC2)ccc1N1CCCCC1 ZINC000827667921 1248627197 /nfs/dbraw/zinc/62/71/97/1248627197.db2.gz NJGMPHYJJZEUTI-GOSISDBHSA-N 0 3 331.504 2.484 10 10 EECEHN C/C=C(/C)C(=O)N1CCC[C@@](CO)(NCc2ccc(OC)c(C)c2)C1 ZINC001327553834 1334313831 /nfs/dbraw/zinc/31/38/31/1334313831.db2.gz DUTTWULKHABUNZ-NDAPLARTSA-N 0 3 346.471 2.413 10 10 EECEHN CC1(C)CCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000170872879 791108784 /nfs/dbraw/zinc/10/87/84/791108784.db2.gz AWTKYFWCLFKKFC-UHFFFAOYSA-N 0 3 349.450 2.153 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)c2sccc2C)cc1C ZINC001507170847 1115145449 /nfs/dbraw/zinc/14/54/49/1115145449.db2.gz QXXTZFUCKDSMEC-HNNXBMFYSA-N 0 3 348.468 2.254 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)C2CC(OC)C2)cc1C ZINC001568866984 1124893201 /nfs/dbraw/zinc/89/32/01/1124893201.db2.gz JVUZFUKDRQMFCM-SNAWJCMRSA-N 0 3 332.444 2.191 10 10 EECEHN Cc1cc(N2CCC[C@H](NCc3cc(C)ccc3O)C2=O)n(C)n1 ZINC000080526380 463327885 /nfs/dbraw/zinc/32/78/85/463327885.db2.gz YQCIQCBFTNUOEV-HNNXBMFYSA-N 0 3 328.416 2.028 10 10 EECEHN Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(C)ccc3[O-])C2=O)n(C)n1 ZINC000080526380 463327889 /nfs/dbraw/zinc/32/78/89/463327889.db2.gz YQCIQCBFTNUOEV-HNNXBMFYSA-N 0 3 328.416 2.028 10 10 EECEHN COC(=O)/C=C/c1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089543 463482345 /nfs/dbraw/zinc/48/23/45/463482345.db2.gz CNCPOGVCZJCFSJ-ZKKXHLJNSA-N 0 3 345.399 2.456 10 10 EECEHN COc1ccc([O-])c(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000180079142 464236870 /nfs/dbraw/zinc/23/68/70/464236870.db2.gz ZZZADFODAAMQRK-HNNXBMFYSA-N 0 3 328.416 2.292 10 10 EECEHN COc1ccc([O-])c(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000180079142 464236874 /nfs/dbraw/zinc/23/68/74/464236874.db2.gz ZZZADFODAAMQRK-HNNXBMFYSA-N 0 3 328.416 2.292 10 10 EECEHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1[O-] ZINC000284899993 464384631 /nfs/dbraw/zinc/38/46/31/464384631.db2.gz FRKOCBBHHUEEAB-OCCSQVGLSA-N 0 3 331.840 2.302 10 10 EECEHN COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1[O-] ZINC000248863657 464811642 /nfs/dbraw/zinc/81/16/42/464811642.db2.gz HCMQCCPVWMIDJP-SWLSCSKDSA-N 0 3 340.851 2.207 10 10 EECEHN COc1cc(Cl)cc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1[O-] ZINC000248863657 464811647 /nfs/dbraw/zinc/81/16/47/464811647.db2.gz HCMQCCPVWMIDJP-SWLSCSKDSA-N 0 3 340.851 2.207 10 10 EECEHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000291646214 534233219 /nfs/dbraw/zinc/23/32/19/534233219.db2.gz JGLAWMIHUFJNJF-KPZWWZAWSA-N 0 3 338.423 2.358 10 10 EECEHN CO[C@H](C)CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001266622233 1177016065 /nfs/dbraw/zinc/01/60/65/1177016065.db2.gz VIUPOKUQBHOVLD-GFCCVEGCSA-N 0 3 347.419 2.078 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)c2c(C)ncn2C)cc1C ZINC001268552837 1183243940 /nfs/dbraw/zinc/24/39/40/1183243940.db2.gz UARQLUZDADLNNG-WAYWQWQTSA-N 0 3 342.443 2.121 10 10 EECEHN C[NH+](C)CC[C@H](NC(=O)NCc1c([O-])cccc1F)c1cccnc1 ZINC000925920987 1206168803 /nfs/dbraw/zinc/16/88/03/1206168803.db2.gz LSHQMMCPMDVNEU-INIZCTEOSA-N 0 3 346.406 2.419 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@H](O)CCC1(O)CCC1)C[C@H]1CCCO1 ZINC000929973294 1206523656 /nfs/dbraw/zinc/52/36/56/1206523656.db2.gz YEKAGJAXIUEOKC-QZTJIDSGSA-N 0 3 349.471 2.429 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@H](O)CCC1(O)CCC1)C[C@H]1CCCO1 ZINC000929973294 1206523658 /nfs/dbraw/zinc/52/36/58/1206523658.db2.gz YEKAGJAXIUEOKC-QZTJIDSGSA-N 0 3 349.471 2.429 10 10 EECEHN CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1[O-] ZINC000903533552 1240827793 /nfs/dbraw/zinc/82/77/93/1240827793.db2.gz HYDBQQMBTFEUEB-CHWSQXEVSA-N 0 3 334.313 2.445 10 10 EECEHN CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1[O-] ZINC000903533555 1240827842 /nfs/dbraw/zinc/82/78/42/1240827842.db2.gz HYDBQQMBTFEUEB-STQMWFEESA-N 0 3 334.313 2.445 10 10 EECEHN C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cc(F)ccc1[O-] ZINC000858565359 1294155827 /nfs/dbraw/zinc/15/58/27/1294155827.db2.gz NGXLRYCJUNFUOU-WMLDXEAASA-N 0 3 345.418 2.478 10 10 EECEHN COc1cc(Br)cc(C[NH2+]C2(CC(N)=O)CCC2)c1[O-] ZINC000789553754 808061381 /nfs/dbraw/zinc/06/13/81/808061381.db2.gz KYNQFMFRYHJKCA-UHFFFAOYSA-N 0 3 343.221 2.051 10 10 EECEHN Cc1ccc([O-])c(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)c1 ZINC000121230166 463101068 /nfs/dbraw/zinc/10/10/68/463101068.db2.gz WRSDCAJPGZXZDB-UHFFFAOYSA-N 0 3 328.460 2.494 10 10 EECEHN Cc1ccc([O-])c(C[N@H+](C)C2CCN(CCn3cccn3)CC2)c1 ZINC000121230166 463101075 /nfs/dbraw/zinc/10/10/75/463101075.db2.gz WRSDCAJPGZXZDB-UHFFFAOYSA-N 0 3 328.460 2.494 10 10 EECEHN Oc1cc2c(cc1CNC[C@@H](n1cccn1)C(F)(F)F)OCO2 ZINC000527747448 467664289 /nfs/dbraw/zinc/66/42/89/467664289.db2.gz XWLPCMZLLRTMSR-CYBMUJFWSA-N 0 3 329.278 2.211 10 10 EECEHN Cc1cc(Br)cc(C[NH2+]C2(CCO)CCOCC2)c1[O-] ZINC000775757310 577444903 /nfs/dbraw/zinc/44/49/03/577444903.db2.gz GEDPRYVQKPVVLI-UHFFFAOYSA-N 0 3 344.249 2.484 10 10 EECEHN CCON(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000753618211 577790815 /nfs/dbraw/zinc/79/08/15/577790815.db2.gz TVBXTWGFMKTMEA-UHFFFAOYSA-N 0 3 346.475 2.312 10 10 EECEHN COc1cccc(CNC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c1O ZINC000745807363 577918945 /nfs/dbraw/zinc/91/89/45/577918945.db2.gz BEFRRJTYVIQJFT-KBPBESRZSA-N 0 3 335.448 2.463 10 10 EECEHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CCN1C ZINC000914201113 683355624 /nfs/dbraw/zinc/35/56/24/683355624.db2.gz XCLXVWVDRFSGCA-RHSMWYFYSA-N 0 3 348.516 2.132 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2C[C@@]23CCOC3)cc1C ZINC001483080027 1188441098 /nfs/dbraw/zinc/44/10/98/1188441098.db2.gz KANWFRJCTURVOG-BPNLWIQDSA-N 0 3 344.455 2.192 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1[O-] ZINC000794711147 1197904897 /nfs/dbraw/zinc/90/48/97/1197904897.db2.gz QGHXKYOYVCDLNM-IBGZPJMESA-N 0 3 342.395 2.029 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1[O-] ZINC000794711147 1197904901 /nfs/dbraw/zinc/90/49/01/1197904901.db2.gz QGHXKYOYVCDLNM-IBGZPJMESA-N 0 3 342.395 2.029 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)Cc2ccc[nH]2)cc1C ZINC001274601690 1205093840 /nfs/dbraw/zinc/09/38/40/1205093840.db2.gz WGZCHBFBIQNNJL-ONEGZZNKSA-N 0 3 327.428 2.336 10 10 EECEHN Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cc3c(cc2[O-])OCO3)cn1 ZINC000850384914 1277209168 /nfs/dbraw/zinc/20/91/68/1277209168.db2.gz SUURVXKHKKIWRE-ZFWWWQNUSA-N 0 3 329.400 2.355 10 10 EECEHN O=C1[C@@H](NCc2ccc(N3CCCC3)cc2)CCN1C1CCOCC1 ZINC001118986006 1308968723 /nfs/dbraw/zinc/96/87/23/1308968723.db2.gz UWRCPJDYVCSRRI-IBGZPJMESA-N 0 3 343.471 2.156 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001283813888 1326270763 /nfs/dbraw/zinc/27/07/63/1326270763.db2.gz ROTMQLDXTOQVDJ-FGTMMUONSA-N 0 3 346.471 2.007 10 10 EECEHN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F ZINC001324848696 1333772667 /nfs/dbraw/zinc/77/26/67/1333772667.db2.gz GNSNWQNLJAREJS-RXNFCKPNSA-N 0 3 329.366 2.422 10 10 EECEHN COc1ccc(CNC2(CNC(=O)Cc3cccnc3)CC2)cc1C ZINC001699649536 1405429486 /nfs/dbraw/zinc/42/94/86/1405429486.db2.gz XVIYUXJGJYKPHB-UHFFFAOYSA-N 0 3 339.439 2.380 10 10 EECEHN C[C@H](N[C@@H]1CNCCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000817978396 785126503 /nfs/dbraw/zinc/12/65/03/785126503.db2.gz AGLCWQRPIDKAST-BLLLJJGKSA-N 0 3 343.393 2.310 10 10 EECEHN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000922912716 788316963 /nfs/dbraw/zinc/31/69/63/788316963.db2.gz LFTBFUDARSUNON-DAYGRLMNSA-N 0 3 332.492 2.384 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)Cc2[nH]cnc2C)cc1C ZINC001497734661 1102985141 /nfs/dbraw/zinc/98/51/41/1102985141.db2.gz PNXKISCCPRWNPP-PLNGDYQASA-N 0 3 342.443 2.040 10 10 EECEHN COC(=O)CCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001472280699 1110550272 /nfs/dbraw/zinc/55/02/72/1110550272.db2.gz KGNRLWMSOONIMV-QGZVFWFLSA-N 0 3 349.475 2.205 10 10 EECEHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1[O-] ZINC000187321835 464116696 /nfs/dbraw/zinc/11/66/96/464116696.db2.gz DXEZGFPZGMJQAI-YPMHNXCESA-N 0 3 343.265 2.444 10 10 EECEHN CCN(CC)c1ccc(CN2CCN(CCC(=O)N(C)C)CC2)cc1 ZINC000271198900 464289629 /nfs/dbraw/zinc/28/96/29/464289629.db2.gz VPWSGLOPQFKNPP-UHFFFAOYSA-N 0 3 346.519 2.129 10 10 EECEHN O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000282940242 465009551 /nfs/dbraw/zinc/00/95/51/465009551.db2.gz IRTZINSRHJQJTF-MRXNPFEDSA-N 0 3 326.396 2.162 10 10 EECEHN COc1cc(O)c(CNC[C@H](n2cccn2)C(F)(F)F)cc1OC ZINC000529636671 467889520 /nfs/dbraw/zinc/88/95/20/467889520.db2.gz GNHNYCYONRAENO-AWEZNQCLSA-N 0 3 345.321 2.499 10 10 EECEHN COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCN(C)C3)CC2)cc1 ZINC000726707961 576290128 /nfs/dbraw/zinc/29/01/28/576290128.db2.gz IHOWZNZDHFLJAS-MRXNPFEDSA-N 0 3 346.475 2.057 10 10 EECEHN Cc1cc([O-])c(C[NH2+]CC(C)(C)N2CCN(C)CC2)c(Cl)c1 ZINC000840873591 679414367 /nfs/dbraw/zinc/41/43/67/679414367.db2.gz CNFDPRWTLVTZAJ-UHFFFAOYSA-N 0 3 325.884 2.470 10 10 EECEHN COc1cc(CN2CCN(CCO)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000825568469 1198305878 /nfs/dbraw/zinc/30/58/78/1198305878.db2.gz YNGVHDVMNYYZLZ-CQSZACIVSA-N 0 3 336.476 2.197 10 10 EECEHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1[O-] ZINC000858488739 1294131356 /nfs/dbraw/zinc/13/13/56/1294131356.db2.gz KLJQEUTVQJWQIQ-UKRRQHHQSA-N 0 3 338.415 2.150 10 10 EECEHN CCC1(N2CCOCC2)CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000863491915 1296305467 /nfs/dbraw/zinc/30/54/67/1296305467.db2.gz CTMKCUCIPZBHPY-UHFFFAOYSA-N 0 3 348.443 2.123 10 10 EECEHN COc1ccc(N2CCC(N[C@@H]3CNCCC3(F)F)CC2)cc1 ZINC000841080820 1315469837 /nfs/dbraw/zinc/46/98/37/1315469837.db2.gz QPPOICLWLRTYKI-MRXNPFEDSA-N 0 3 325.403 2.251 10 10 EECEHN CCOc1ccc(C[N@@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)c([O-])c1 ZINC000843432144 1315914019 /nfs/dbraw/zinc/91/40/19/1315914019.db2.gz IMYGOABDOSENHG-OAHLLOKOSA-N 0 3 346.349 2.291 10 10 EECEHN CCOc1ccc(C[N@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)c([O-])c1 ZINC000843432144 1315914021 /nfs/dbraw/zinc/91/40/21/1315914021.db2.gz IMYGOABDOSENHG-OAHLLOKOSA-N 0 3 346.349 2.291 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1[O-] ZINC000808226282 812529193 /nfs/dbraw/zinc/52/91/93/812529193.db2.gz AXCBRLZSONMZQH-LBPRGKRZSA-N 0 3 342.395 2.029 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1[O-] ZINC000808226282 812529197 /nfs/dbraw/zinc/52/91/97/812529197.db2.gz AXCBRLZSONMZQH-LBPRGKRZSA-N 0 3 342.395 2.029 10 10 EECEHN C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC001460638432 1110320143 /nfs/dbraw/zinc/32/01/43/1110320143.db2.gz NTIURYVKRXMAOE-CHWSQXEVSA-N 0 3 332.356 2.391 10 10 EECEHN Cn1cc([C@H]2NC(=O)CC[C@@H]2NCc2ccc3c(c2)CCN3C)cn1 ZINC000328588538 258044752 /nfs/dbraw/zinc/04/47/52/258044752.db2.gz HWLLSSBAUKKNNJ-QFBILLFUSA-N 0 3 339.443 2.362 10 10 EECEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000185552511 463843364 /nfs/dbraw/zinc/84/33/64/463843364.db2.gz WAWUJRSNXKZLQH-ZIAGYGMSSA-N 0 3 330.432 2.454 10 10 EECEHN Cc1cc(Cl)cc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000180722758 464379527 /nfs/dbraw/zinc/37/95/27/464379527.db2.gz YKNZMMBIOOJUBK-UHFFFAOYSA-N 0 3 346.880 2.210 10 10 EECEHN Cc1cc(Cl)cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000180722758 464379533 /nfs/dbraw/zinc/37/95/33/464379533.db2.gz YKNZMMBIOOJUBK-UHFFFAOYSA-N 0 3 346.880 2.210 10 10 EECEHN CCN1CCN(CCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293545297 464410668 /nfs/dbraw/zinc/41/06/68/464410668.db2.gz GLZWHVULFSRGKP-UHFFFAOYSA-N 0 3 329.847 2.302 10 10 EECEHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC13CCC3)cc2=O ZINC000373104509 466693802 /nfs/dbraw/zinc/69/38/02/466693802.db2.gz PDOJMZOVVCLGDX-UHFFFAOYSA-N 0 3 330.388 2.130 10 10 EECEHN O=C([C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1)N1CCCCC1 ZINC000373899696 466961259 /nfs/dbraw/zinc/96/12/59/466961259.db2.gz LJCVEOLVQXEGGJ-HIFRSBDPSA-N 0 3 346.427 2.392 10 10 EECEHN CN(C)c1ccc(CNCCN2C(=O)c3ccccc3C2=O)cc1F ZINC000733325325 577222750 /nfs/dbraw/zinc/22/27/50/577222750.db2.gz CWVLQAKLOYWVSU-UHFFFAOYSA-N 0 3 341.386 2.278 10 10 EECEHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c2c1c(F)ccc2[O-] ZINC000756737721 577849644 /nfs/dbraw/zinc/84/96/44/577849644.db2.gz YJYIRSWBZOGXKY-KCPJHIHWSA-N 0 3 348.418 2.449 10 10 EECEHN COc1ccc(N2CCN(C(=O)CN3C[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000743874280 577890939 /nfs/dbraw/zinc/89/09/39/577890939.db2.gz YWQKLQZXPOCZLS-SJORKVTESA-N 0 3 345.487 2.464 10 10 EECEHN COc1cccc(CNC(=O)NCCN2[C@H](C)CCC[C@H]2C)c1O ZINC000745807365 577918907 /nfs/dbraw/zinc/91/89/07/577918907.db2.gz BEFRRJTYVIQJFT-ZIAGYGMSSA-N 0 3 335.448 2.463 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2C[C@]23CCOC3)cc1C ZINC001483080030 1188441515 /nfs/dbraw/zinc/44/15/15/1188441515.db2.gz KANWFRJCTURVOG-PPEMJRFFSA-N 0 3 344.455 2.192 10 10 EECEHN COc1ccc(O)c([C@H](C)NCc2n[nH]c(C3CCOCC3)n2)c1 ZINC000866441724 1201519130 /nfs/dbraw/zinc/51/91/30/1201519130.db2.gz SEDMBHIYQAPPAW-NSHDSACASA-N 0 3 332.404 2.264 10 10 EECEHN CN(C)c1cc(F)c(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1F ZINC000862384633 1295818268 /nfs/dbraw/zinc/81/82/68/1295818268.db2.gz FMPJPKPXPUKOEP-QEORTHHSSA-N 0 3 340.414 2.393 10 10 EECEHN CN(C)CCN(Cc1ccccc1F)C(=O)Cc1ccc(O)c(O)c1 ZINC001142405088 1315594336 /nfs/dbraw/zinc/59/43/36/1315594336.db2.gz MEPZEVNUCHRADQ-UHFFFAOYSA-N 0 3 346.402 2.370 10 10 EECEHN NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](NC/C=C/Cl)C2)cc1 ZINC001265461635 1323168303 /nfs/dbraw/zinc/16/83/03/1323168303.db2.gz UXRAJQZFLXDDKM-WQULGGARSA-N 0 3 335.795 2.406 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)C[C@H]2CCOC2)cc1C ZINC001321016033 1332999068 /nfs/dbraw/zinc/99/90/68/1332999068.db2.gz XCAIBIWVXOGEPA-REMYHPOOSA-N 0 3 332.444 2.192 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)C2C(C)(C)C2(C)C)cc1C ZINC001331697508 1335059560 /nfs/dbraw/zinc/05/95/60/1335059560.db2.gz QHDSXADCJSIPJS-OAHLLOKOSA-N 0 3 348.487 2.253 10 10 EECEHN C[C@@H](NCC(=O)N1C[C@@H](C)OC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001351321153 1337808692 /nfs/dbraw/zinc/80/86/92/1337808692.db2.gz VKKZXGZESCTSDU-HUUCEWRRSA-N 0 3 333.476 2.429 10 10 EECEHN Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2=O)n(C)n1 ZINC000186328246 463978318 /nfs/dbraw/zinc/97/83/18/463978318.db2.gz NDMYGPAHBWEDSC-DOMZBBRYSA-N 0 3 346.406 2.419 10 10 EECEHN Cc1cccc(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1[O-] ZINC000180073864 464235680 /nfs/dbraw/zinc/23/56/80/464235680.db2.gz YIBZRLWIJMCFQD-UHFFFAOYSA-N 0 3 345.487 2.077 10 10 EECEHN CN1CCC(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000273160669 464706179 /nfs/dbraw/zinc/70/61/79/464706179.db2.gz BYHVQPUBTWZCSY-UHFFFAOYSA-N 0 3 349.450 2.010 10 10 EECEHN COc1cc(Cl)cc(CN2CCC(C(=O)N(C)C)CC2)c1O ZINC000184674890 465016486 /nfs/dbraw/zinc/01/64/86/465016486.db2.gz JVFGJBHAWJNQBS-UHFFFAOYSA-N 0 3 326.824 2.354 10 10 EECEHN CN(C)c1ccc(CN2CCC(C(=O)Nc3nncs3)CC2)cc1 ZINC000367698421 466499362 /nfs/dbraw/zinc/49/93/62/466499362.db2.gz FFVCSGQFMAYDSR-UHFFFAOYSA-N 0 3 345.472 2.455 10 10 EECEHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CCN(c2cnccn2)CC1 ZINC000370042032 466764531 /nfs/dbraw/zinc/76/45/31/466764531.db2.gz HRKIMEADHYHFBH-UHFFFAOYSA-N 0 3 342.399 2.012 10 10 EECEHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CCN(c2cnccn2)CC1 ZINC000370042032 466764534 /nfs/dbraw/zinc/76/45/34/466764534.db2.gz HRKIMEADHYHFBH-UHFFFAOYSA-N 0 3 342.399 2.012 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@H](O)C1(O)CCCC1)C[C@@H]1CCCO1 ZINC000929970196 1206523391 /nfs/dbraw/zinc/52/33/91/1206523391.db2.gz IPCNCUMUSVRDKF-WMZOPIPTSA-N 0 3 335.444 2.039 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@H](O)C1(O)CCCC1)C[C@@H]1CCCO1 ZINC000929970196 1206523394 /nfs/dbraw/zinc/52/33/94/1206523394.db2.gz IPCNCUMUSVRDKF-WMZOPIPTSA-N 0 3 335.444 2.039 10 10 EECEHN FC1(F)[C@@H]2CCCO[C@@]21CNCc1ccc(N2CCOCC2)cc1 ZINC000850378007 1277204862 /nfs/dbraw/zinc/20/48/62/1277204862.db2.gz TTYXGRSFRHJLNE-SJORKVTESA-N 0 3 338.398 2.427 10 10 EECEHN CN(C)c1cc(F)c(CN2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1F ZINC000862384631 1295819083 /nfs/dbraw/zinc/81/90/83/1295819083.db2.gz FMPJPKPXPUKOEP-DXCKQFNASA-N 0 3 340.414 2.393 10 10 EECEHN CCOc1ccc(C[N@@H+]2CCSC[C@H](C(=O)OC)C2)c([O-])c1 ZINC000840977294 1315450494 /nfs/dbraw/zinc/45/04/94/1315450494.db2.gz JQRZTYDJRWQZGB-CYBMUJFWSA-N 0 3 325.430 2.129 10 10 EECEHN CCOc1ccc(C[N@H+]2CCSC[C@H](C(=O)OC)C2)c([O-])c1 ZINC000840977294 1315450496 /nfs/dbraw/zinc/45/04/96/1315450496.db2.gz JQRZTYDJRWQZGB-CYBMUJFWSA-N 0 3 325.430 2.129 10 10 EECEHN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)NCC(F)(F)F ZINC001324848695 1333772736 /nfs/dbraw/zinc/77/27/36/1333772736.db2.gz GNSNWQNLJAREJS-QMAVJUDZSA-N 0 3 329.366 2.422 10 10 EECEHN Cc1cc(Br)cc(C[N@@H+](C[C@H](O)CO)C(C)C)c1[O-] ZINC000817417535 784769306 /nfs/dbraw/zinc/76/93/06/784769306.db2.gz JHTGIKUTKBTVGB-ZDUSSCGKSA-N 0 3 332.238 2.027 10 10 EECEHN Cc1cc(Br)cc(C[N@H+](C[C@H](O)CO)C(C)C)c1[O-] ZINC000817417535 784769313 /nfs/dbraw/zinc/76/93/13/784769313.db2.gz JHTGIKUTKBTVGB-ZDUSSCGKSA-N 0 3 332.238 2.027 10 10 EECEHN Cc1ccc([C@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c([O-])c1C ZINC000527954503 317292040 /nfs/dbraw/zinc/29/20/40/317292040.db2.gz LRLZLENBZUIEKW-JXFKEZNVSA-N 0 3 348.487 2.275 10 10 EECEHN Cc1n[nH]c(C)c1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000097159348 463338192 /nfs/dbraw/zinc/33/81/92/463338192.db2.gz GJLFTRBKIJKIOE-MRXNPFEDSA-N 0 3 341.459 2.018 10 10 EECEHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000284899995 464383987 /nfs/dbraw/zinc/38/39/87/464383987.db2.gz FRKOCBBHHUEEAB-TZMCWYRMSA-N 0 3 331.840 2.302 10 10 EECEHN O=C1NCCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000295041256 464685616 /nfs/dbraw/zinc/68/56/16/464685616.db2.gz MONSFSBILDTOCW-KRWDZBQOSA-N 0 3 326.396 2.339 10 10 EECEHN CN1CCCc2cc(CNC(=O)N3CCN4CCC[C@H]4C3)ccc21 ZINC000247508741 464688457 /nfs/dbraw/zinc/68/84/57/464688457.db2.gz PBKOZQKPNCAUGO-KRWDZBQOSA-N 0 3 328.460 2.059 10 10 EECEHN CCCCOC[C@@H](O)CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000193373722 528615591 /nfs/dbraw/zinc/61/55/91/528615591.db2.gz HTLGMQCYGCKRQB-SFHVURJKSA-N 0 3 336.476 2.385 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000774686127 577411100 /nfs/dbraw/zinc/41/11/00/577411100.db2.gz AIDCFROILRSMHR-IRXDYDNUSA-N 0 3 333.428 2.423 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000774686127 577411102 /nfs/dbraw/zinc/41/11/02/577411102.db2.gz AIDCFROILRSMHR-IRXDYDNUSA-N 0 3 333.428 2.423 10 10 EECEHN COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000775352238 577435743 /nfs/dbraw/zinc/43/57/43/577435743.db2.gz QMNGBKBVEJHNED-VXGBXAGGSA-N 0 3 336.388 2.077 10 10 EECEHN Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1[O-] ZINC000776224367 577454989 /nfs/dbraw/zinc/45/49/89/577454989.db2.gz SVGICXJGDDLBKR-ABAIWWIYSA-N 0 3 348.834 2.371 10 10 EECEHN COc1ccc(CNC2(CNC(=O)C3=CCOCC3)CC2)cc1C ZINC001670771185 1181075692 /nfs/dbraw/zinc/07/56/92/1181075692.db2.gz BTNFYEIWZBNGBE-UHFFFAOYSA-N 0 3 330.428 2.089 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3conc3C)CC2)cc1C ZINC001483763572 1190995463 /nfs/dbraw/zinc/99/54/63/1190995463.db2.gz KSQPOEHNVCAVCM-UHFFFAOYSA-N 0 3 329.400 2.352 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)C1(O)CCOCC1)C1CCCC1 ZINC000929636501 1206492018 /nfs/dbraw/zinc/49/20/18/1206492018.db2.gz SWHVXBMOAUBZRN-GOSISDBHSA-N 0 3 335.444 2.039 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@@H](O)C1(O)CCOCC1)C1CCCC1 ZINC000929636501 1206492020 /nfs/dbraw/zinc/49/20/20/1206492020.db2.gz SWHVXBMOAUBZRN-GOSISDBHSA-N 0 3 335.444 2.039 10 10 EECEHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CN(Cc3ccncc3)CCO1)CC2 ZINC000858564147 1294155007 /nfs/dbraw/zinc/15/50/07/1294155007.db2.gz GCWYEKHODPJVPW-MSOLQXFVSA-N 0 3 339.439 2.265 10 10 EECEHN CCc1n[nH]cc1C(=O)NC/C=C/CNCc1ccc(OC)c(C)c1 ZINC001321134370 1333026987 /nfs/dbraw/zinc/02/69/87/1333026987.db2.gz CMSGYQSQOGTTPO-AATRIKPKSA-N 0 3 342.443 2.365 10 10 EECEHN Fc1cc(CN[C@@H]2CO[C@H](C3CC3)C2)cc(F)c1N1CCOCC1 ZINC001333583098 1336079670 /nfs/dbraw/zinc/07/96/70/1336079670.db2.gz QBIQLDCZMGLCHB-YOEHRIQHSA-N 0 3 338.398 2.459 10 10 EECEHN C[NH+](C)Cc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1 ZINC000921452127 773382669 /nfs/dbraw/zinc/38/26/69/773382669.db2.gz FCYKELFMMZQKOA-UHFFFAOYSA-N 0 3 338.404 2.071 10 10 EECEHN COc1cc(Br)cc(CNC[C@H](O)C(F)(F)F)c1O ZINC000788975732 807801238 /nfs/dbraw/zinc/80/12/38/807801238.db2.gz NYKFARMCWOKPKN-VIFPVBQESA-N 0 3 344.127 2.176 10 10 EECEHN CN(C)c1ccc(CNC(=O)CN2C[C@H]3CSC[C@@]3(C)C2)cc1 ZINC001473861706 1110582862 /nfs/dbraw/zinc/58/28/62/1110582862.db2.gz IJPRZIWJGKJLFR-MAUKXSAKSA-N 0 3 333.501 2.054 10 10 EECEHN Cn1cc([C@@H]2NC(=O)CC[C@@H]2NCc2ccc3c(c2)CCN3C)cn1 ZINC000328588535 258044659 /nfs/dbraw/zinc/04/46/59/258044659.db2.gz HWLLSSBAUKKNNJ-LPHOPBHVSA-N 0 3 339.443 2.362 10 10 EECEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1O ZINC000299462617 465758677 /nfs/dbraw/zinc/75/86/77/465758677.db2.gz AFBWRARTTDOMJC-KRWDZBQOSA-N 0 3 327.428 2.364 10 10 EECEHN Cc1ccc([C@H](C)N[C@@H]2CCN(C3CCOCC3)C2=O)c(O)c1C ZINC000368211179 466588436 /nfs/dbraw/zinc/58/84/36/466588436.db2.gz CEUVYVYPZORWEY-WMLDXEAASA-N 0 3 332.444 2.440 10 10 EECEHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773306997 577331796 /nfs/dbraw/zinc/33/17/96/577331796.db2.gz NBXNRWIIXHPTNQ-MAUKXSAKSA-N 0 3 348.491 2.224 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3nn(C)cc3C)CC2)cc1C ZINC001670781654 1181703557 /nfs/dbraw/zinc/70/35/57/1181703557.db2.gz MAZNCLXDGVBXSY-UHFFFAOYSA-N 0 3 342.443 2.098 10 10 EECEHN CC(C)N(CCN(C)C[C@@H](C)O)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001486380496 1193891933 /nfs/dbraw/zinc/89/19/33/1193891933.db2.gz IYSUCPSYNVOJAN-CYBMUJFWSA-N 0 3 349.435 2.012 10 10 EECEHN CN(C)CCN(Cc1cccs1)C(=O)Cc1ccc(O)c(O)c1 ZINC001137213507 1202353183 /nfs/dbraw/zinc/35/31/83/1202353183.db2.gz GCTXGWGWYPZPAI-UHFFFAOYSA-N 0 3 334.441 2.292 10 10 EECEHN Cc1ccc(O)c([C@@H](C)NCCS(=O)(=O)CC(F)(F)F)c1 ZINC000850519842 1277258048 /nfs/dbraw/zinc/25/80/48/1277258048.db2.gz PULSBDYUHPEVEI-SNVBAGLBSA-N 0 3 325.352 2.328 10 10 EECEHN CN(C)c1ccc([C@H](CNC(=O)[C@@H](O)C2CCCCC2)N(C)C)cc1 ZINC001304769695 1331394922 /nfs/dbraw/zinc/39/49/22/1331394922.db2.gz XSBGPEPLDCAQBF-OALUTQOASA-N 0 3 347.503 2.413 10 10 EECEHN COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848531370 1338715157 /nfs/dbraw/zinc/71/51/57/1338715157.db2.gz QHWDZGWRKSQICI-XPTSAGLGSA-N 0 3 348.237 2.211 10 10 EECEHN COc1ccc(CNC2(CNC(=O)C[C@@](C)(O)C3CC3)CC2)cc1C ZINC001699649175 1405429261 /nfs/dbraw/zinc/42/92/61/1405429261.db2.gz RFPOLNFVBZXNDM-LJQANCHMSA-N 0 3 346.471 2.293 10 10 EECEHN COc1ccc(N2CCC(NC(=O)N[C@@H]3CCN(C)[C@@H]3C)CC2)cc1 ZINC000916226003 797557227 /nfs/dbraw/zinc/55/72/27/797557227.db2.gz MOGGFPQDPXJKLG-RDTXWAMCSA-N 0 3 346.475 2.056 10 10 EECEHN CCCOc1ccc(CNC(C)(C)CNS(C)(=O)=O)cc1C ZINC000922636304 801570639 /nfs/dbraw/zinc/57/06/39/801570639.db2.gz LNIVGGVLIMGENO-UHFFFAOYSA-N 0 3 328.478 2.201 10 10 EECEHN CCn1nccc1N1CCC[C@@H](NCc2cc(C)ccc2O)C1=O ZINC000191638268 237265900 /nfs/dbraw/zinc/26/59/00/237265900.db2.gz YLXSNNHPVYHOGD-OAHLLOKOSA-N 0 3 328.416 2.202 10 10 EECEHN CCn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(C)ccc2[O-])C1=O ZINC000191638268 237265909 /nfs/dbraw/zinc/26/59/09/237265909.db2.gz YLXSNNHPVYHOGD-OAHLLOKOSA-N 0 3 328.416 2.202 10 10 EECEHN COc1cccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1[O-] ZINC000277755046 463930776 /nfs/dbraw/zinc/93/07/76/463930776.db2.gz RINVJJFGPLFVHV-HNNXBMFYSA-N 0 3 330.432 2.201 10 10 EECEHN COc1cccc(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1[O-] ZINC000194924891 463960400 /nfs/dbraw/zinc/96/04/00/463960400.db2.gz KIGBEGOJBKVKRC-ZDUSSCGKSA-N 0 3 332.404 2.229 10 10 EECEHN COc1cccc(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1[O-] ZINC000194924891 463960408 /nfs/dbraw/zinc/96/04/08/463960408.db2.gz KIGBEGOJBKVKRC-ZDUSSCGKSA-N 0 3 332.404 2.229 10 10 EECEHN COC(=O)/C=C/c1ccc(N2CCC[C@H]2CN(C)C)c([N+](=O)[O-])c1 ZINC000268119578 464952560 /nfs/dbraw/zinc/95/25/60/464952560.db2.gz HGNYYEFMJGKTLM-KGXGESDWSA-N 0 3 333.388 2.311 10 10 EECEHN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cccc(OCC)c1O ZINC000373587489 466857570 /nfs/dbraw/zinc/85/75/70/466857570.db2.gz XNTDZYRGKYHWSQ-CABCVRRESA-N 0 3 337.416 2.333 10 10 EECEHN CCN(CC)c1ccc(CNC(=O)NCCNc2ccncc2)cc1 ZINC000729596532 576667686 /nfs/dbraw/zinc/66/76/86/576667686.db2.gz CVXXTZQSXNJOHE-UHFFFAOYSA-N 0 3 341.459 2.261 10 10 EECEHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000757656930 577861884 /nfs/dbraw/zinc/86/18/84/577861884.db2.gz PPMANOJFNXDIDZ-GDBMZVCRSA-N 0 3 342.443 2.276 10 10 EECEHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000757656930 577861885 /nfs/dbraw/zinc/86/18/85/577861885.db2.gz PPMANOJFNXDIDZ-GDBMZVCRSA-N 0 3 342.443 2.276 10 10 EECEHN CC[C@@H](F)CNC/C=C\CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268632790 1183560723 /nfs/dbraw/zinc/56/07/23/1183560723.db2.gz KJOYZRQAJYHVBE-VBFCFCCWSA-N 0 3 335.383 2.473 10 10 EECEHN CC[C@@H](F)CNC/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268632788 1183560833 /nfs/dbraw/zinc/56/08/33/1183560833.db2.gz KJOYZRQAJYHVBE-BZEOHAMZSA-N 0 3 335.383 2.473 10 10 EECEHN COc1ccc(CNCC=CCNC(=O)c2cc(C)n[nH]2)cc1C ZINC001482989694 1187963752 /nfs/dbraw/zinc/96/37/52/1187963752.db2.gz OHPMGIONSKRCTC-SNAWJCMRSA-N 0 3 328.416 2.111 10 10 EECEHN COc1ccc(O)c([C@@H](C)NCC(=O)N2C[C@@H](C)OC(C)(C)C2)c1 ZINC000930217694 1206542375 /nfs/dbraw/zinc/54/23/75/1206542375.db2.gz ZIRZCJLQNZSAKM-CHWSQXEVSA-N 0 3 336.432 2.077 10 10 EECEHN CN(C)c1ccc(CNCC[S@@](=O)CC(F)(F)F)cc1F ZINC000850348559 1277191769 /nfs/dbraw/zinc/19/17/69/1277191769.db2.gz OROUFLJVIZXYMQ-OAQYLSRUSA-N 0 3 326.359 2.292 10 10 EECEHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)CC(F)(F)F)c1 ZINC000850519097 1277258152 /nfs/dbraw/zinc/25/81/52/1277258152.db2.gz KWETULBJFJEBLY-VIFPVBQESA-N 0 3 341.351 2.029 10 10 EECEHN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1F ZINC000851657138 1277704162 /nfs/dbraw/zinc/70/41/62/1277704162.db2.gz WGGWQBNEHMWTBR-UKRRQHHQSA-N 0 3 340.418 2.253 10 10 EECEHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1sccc1C(N)=O ZINC001197004957 1284397814 /nfs/dbraw/zinc/39/78/14/1284397814.db2.gz WNKHIRITSCARGC-NXEZZACHSA-N 0 3 333.413 2.230 10 10 EECEHN COc1ccc(N2CC[C@H](NC(=O)N(CCN(C)C)C(C)C)C2)cc1 ZINC000854299160 1292710610 /nfs/dbraw/zinc/71/06/10/1292710610.db2.gz FDWXKOAKAASLAN-INIZCTEOSA-N 0 3 348.491 2.256 10 10 EECEHN COc1ccc(CNC2(CNC(=O)C3=COCCC3)CC2)cc1C ZINC001277014810 1300835827 /nfs/dbraw/zinc/83/58/27/1300835827.db2.gz ZKYJVXZNTDJLOH-UHFFFAOYSA-N 0 3 330.428 2.436 10 10 EECEHN C/C=C(\C)C(=O)N1CCC[C@](CO)(NCc2ccc(OC)c(C)c2)C1 ZINC001327553833 1334313774 /nfs/dbraw/zinc/31/37/74/1334313774.db2.gz DUTTWULKHABUNZ-FQDIRGPQSA-N 0 3 346.471 2.413 10 10 EECEHN COC(=O)c1c(CNCC2(C(=O)OC)CC2)c2cc(F)ccc2n1C ZINC001331547182 1335034910 /nfs/dbraw/zinc/03/49/10/1335034910.db2.gz GZZQQYRMGGBJKT-UHFFFAOYSA-N 0 3 348.374 2.147 10 10 EECEHN C[C@H](NC(=O)CN1CC[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000847394310 1338023244 /nfs/dbraw/zinc/02/32/44/1338023244.db2.gz XLNOCZXLQGWQPC-HOTGVXAUSA-N 0 3 331.460 2.042 10 10 EECEHN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(C2CC2)nc1O ZINC001636063693 1352658285 /nfs/dbraw/zinc/65/82/85/1352658285.db2.gz XOZHAPDAWQVVDP-UHFFFAOYSA-N 0 3 334.372 2.181 10 10 EECEHN Cc1cc(Cl)cc(C[NH2+]CCS(=O)(=O)C2CCOCC2)c1[O-] ZINC000824896975 788339235 /nfs/dbraw/zinc/33/92/35/788339235.db2.gz IWIDMVJQEUAIEU-UHFFFAOYSA-N 0 3 347.864 2.037 10 10 EECEHN Cc1cc(Cl)cc(CNCCS(=O)(=O)C2CCOCC2)c1O ZINC000824896975 788339246 /nfs/dbraw/zinc/33/92/46/788339246.db2.gz IWIDMVJQEUAIEU-UHFFFAOYSA-N 0 3 347.864 2.037 10 10 EECEHN CCN1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@H](C)C1 ZINC000278229523 463957706 /nfs/dbraw/zinc/95/77/06/463957706.db2.gz MOGSSKGQTPZUMS-TZMCWYRMSA-N 0 3 337.420 2.471 10 10 EECEHN CCN1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@H](C)C1 ZINC000278229523 463957714 /nfs/dbraw/zinc/95/77/14/463957714.db2.gz MOGSSKGQTPZUMS-TZMCWYRMSA-N 0 3 337.420 2.471 10 10 EECEHN Cc1cc(Cl)cc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c1O ZINC000271772749 464379886 /nfs/dbraw/zinc/37/98/86/464379886.db2.gz FQKASRSAJOOVER-LBPRGKRZSA-N 0 3 346.880 2.115 10 10 EECEHN Cc1cc(Cl)cc(C[NH2+]CC2(OCCO)CCOCC2)c1[O-] ZINC000282820043 464960514 /nfs/dbraw/zinc/96/05/14/464960514.db2.gz UAEBKPJFQKSRNN-UHFFFAOYSA-N 0 3 329.824 2.002 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3cncnc3C)CC2)cc1C ZINC001269379384 1184219591 /nfs/dbraw/zinc/21/95/91/1184219591.db2.gz IXIRDFWWXVYGJR-UHFFFAOYSA-N 0 3 340.427 2.154 10 10 EECEHN CC(=O)c1cc(F)cc(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1[O-] ZINC000872147172 1198054798 /nfs/dbraw/zinc/05/47/98/1198054798.db2.gz FGUJBWAEFPNKMO-GXFFZTMASA-N 0 3 334.313 2.303 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2ccnc(C)n2)cc1C ZINC001274590279 1205089594 /nfs/dbraw/zinc/08/95/94/1205089594.db2.gz XOSGNZYAMSADIS-SNAWJCMRSA-N 0 3 340.427 2.178 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929969987 1206523532 /nfs/dbraw/zinc/52/35/32/1206523532.db2.gz GSYLWXDZLFHVSV-LSTDLKDCSA-N 0 3 333.428 2.177 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929969987 1206523534 /nfs/dbraw/zinc/52/35/34/1206523534.db2.gz GSYLWXDZLFHVSV-LSTDLKDCSA-N 0 3 333.428 2.177 10 10 EECEHN COc1ccc(N2CC[C@H](CNCc3cc4n(n3)CCC4)C2)cc1 ZINC000850330734 1277176163 /nfs/dbraw/zinc/17/61/63/1277176163.db2.gz RUWASRDMGAXJHP-OAHLLOKOSA-N 0 3 326.444 2.454 10 10 EECEHN COc1ccc(CN[C@]2(CO)CCCN(C(=O)[C@H]3C[C@@H]3C)C2)cc1C ZINC001273902779 1289729224 /nfs/dbraw/zinc/72/92/24/1289729224.db2.gz HFWKFHRVTVBWMF-GZRFBZBPSA-N 0 3 346.471 2.103 10 10 EECEHN CO[C@H](C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)[C@@H]1CCOC1 ZINC000851840856 1291877920 /nfs/dbraw/zinc/87/79/20/1291877920.db2.gz JVMRIKISGLGBJO-ZHALLVOQSA-N 0 3 335.444 2.425 10 10 EECEHN CO[C@H](C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)[C@@H]1CCOC1 ZINC000851840856 1291877928 /nfs/dbraw/zinc/87/79/28/1291877928.db2.gz JVMRIKISGLGBJO-ZHALLVOQSA-N 0 3 335.444 2.425 10 10 EECEHN CCN(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCN(C)C1 ZINC000854297750 1292709081 /nfs/dbraw/zinc/70/90/81/1292709081.db2.gz WDMNZNSXIMXMDO-WBVHZDCISA-N 0 3 346.475 2.010 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@@H]3CO[C@@H](C)C3)CC2)cc1C ZINC001277102027 1301269954 /nfs/dbraw/zinc/26/99/54/1301269954.db2.gz OYTGFYANJPCIBH-HOCLYGCPSA-N 0 3 332.444 2.167 10 10 EECEHN CCN1CCN([C@H](C)C[NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840877188 1315425877 /nfs/dbraw/zinc/42/58/77/1315425877.db2.gz YODIGMZOVLHHKN-CQSZACIVSA-N 0 3 325.884 2.470 10 10 EECEHN CCOc1ccc(N2CCN(CC3(O)CCSCC3)CC2)cc1 ZINC001652964472 1354109820 /nfs/dbraw/zinc/10/98/20/1354109820.db2.gz LTFFLHSLJRKCLU-UHFFFAOYSA-N 0 3 336.501 2.465 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2cc(C)nn2C)cc1C ZINC001668731490 1355994309 /nfs/dbraw/zinc/99/43/09/1355994309.db2.gz JWKDBQRGXSYGDL-AATRIKPKSA-N 0 3 342.443 2.121 10 10 EECEHN O=C(Cc1ccccc1F)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000097019048 463304065 /nfs/dbraw/zinc/30/40/65/463304065.db2.gz KHUCIWXXGPOAIT-UHFFFAOYSA-N 0 3 345.393 2.233 10 10 EECEHN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000775351445 577435782 /nfs/dbraw/zinc/43/57/82/577435782.db2.gz QMNGBKBVEJHNED-NEPJUHHUSA-N 0 3 336.388 2.077 10 10 EECEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1[O-] ZINC000776224369 577455025 /nfs/dbraw/zinc/45/50/25/577455025.db2.gz SVGICXJGDDLBKR-IAQYHMDHSA-N 0 3 348.834 2.371 10 10 EECEHN COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)CC[C@H]3C)CC2)cc1 ZINC000743874277 577890895 /nfs/dbraw/zinc/89/08/95/577890895.db2.gz YWQKLQZXPOCZLS-DLBZAZTESA-N 0 3 345.487 2.464 10 10 EECEHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(CCC(=O)OC)C1=O ZINC000851793098 1291836838 /nfs/dbraw/zinc/83/68/38/1291836838.db2.gz WNPYBJHGKDNDPP-MRXNPFEDSA-N 0 3 348.443 2.158 10 10 EECEHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(CCC(=O)OC)C1=O ZINC000851793098 1291836847 /nfs/dbraw/zinc/83/68/47/1291836847.db2.gz WNPYBJHGKDNDPP-MRXNPFEDSA-N 0 3 348.443 2.158 10 10 EECEHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228972 1293120693 /nfs/dbraw/zinc/12/06/93/1293120693.db2.gz GTOLMMVBGJHUJL-CRAIPNDOSA-N 0 3 331.460 2.265 10 10 EECEHN C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cc(F)ccc1[O-] ZINC000858565357 1294155645 /nfs/dbraw/zinc/15/56/45/1294155645.db2.gz NGXLRYCJUNFUOU-PBHICJAKSA-N 0 3 345.418 2.478 10 10 EECEHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000839152877 1315203223 /nfs/dbraw/zinc/20/32/23/1315203223.db2.gz CCUNORPJLXDGOQ-HXUWFJFHSA-N 0 3 343.423 2.290 10 10 EECEHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000839152877 1315203231 /nfs/dbraw/zinc/20/32/31/1315203231.db2.gz CCUNORPJLXDGOQ-HXUWFJFHSA-N 0 3 343.423 2.290 10 10 EECEHN CCOc1ccc(N2CCN(C[C@H](C)CN3CCOCC3)CC2)cc1 ZINC001616489161 1352329347 /nfs/dbraw/zinc/32/93/47/1352329347.db2.gz LEQJIDQJQMNLSR-SFHVURJKSA-N 0 3 347.503 2.176 10 10 EECEHN C[C@H]([NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1[O-] ZINC001644182934 1352759348 /nfs/dbraw/zinc/75/93/48/1352759348.db2.gz BOTQTNCLBJXRPL-JTQLQIEISA-N 0 3 326.356 2.263 10 10 EECEHN COCCN(C)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000825527002 788668444 /nfs/dbraw/zinc/66/84/44/788668444.db2.gz YKDLPKOHCIAIAQ-UHFFFAOYSA-N 0 3 343.471 2.331 10 10 EECEHN Cn1nc2c(c1CNCc1ccc(N3CCOCC3)cc1)CCC2 ZINC000921583747 789805061 /nfs/dbraw/zinc/80/50/61/789805061.db2.gz ZQFSZKXDMSMPCJ-UHFFFAOYSA-N 0 3 326.444 2.035 10 10 EECEHN Cc1nnc(N(C)Cc2ccccc2O)n1CCN1CC=CCC1 ZINC001543151143 1124121791 /nfs/dbraw/zinc/12/17/91/1124121791.db2.gz WXWOPOKDJVEKJN-UHFFFAOYSA-N 0 3 327.432 2.190 10 10 EECEHN CCOc1ccc(O)c(CN2CCCN(c3cccnn3)CC2)c1 ZINC000093150866 237046569 /nfs/dbraw/zinc/04/65/69/237046569.db2.gz ZJPCAESCPKQCGR-UHFFFAOYSA-N 0 3 328.416 2.293 10 10 EECEHN CCOc1ccc([O-])c(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000093150866 237046580 /nfs/dbraw/zinc/04/65/80/237046580.db2.gz ZJPCAESCPKQCGR-UHFFFAOYSA-N 0 3 328.416 2.293 10 10 EECEHN CCOc1ccc([O-])c(C[N@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000093150866 237046589 /nfs/dbraw/zinc/04/65/89/237046589.db2.gz ZJPCAESCPKQCGR-UHFFFAOYSA-N 0 3 328.416 2.293 10 10 EECEHN COc1ccc(CNC2(CNC(=O)[C@H]3CCCCO3)CC2)cc1C ZINC001483727649 1190829605 /nfs/dbraw/zinc/82/96/05/1190829605.db2.gz XEHCSVYMIASKET-QGZVFWFLSA-N 0 3 332.444 2.311 10 10 EECEHN C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccnnc1 ZINC000924727825 1206024923 /nfs/dbraw/zinc/02/49/23/1206024923.db2.gz GTWOPRDIANTPAN-RHSMWYFYSA-N 0 3 339.443 2.029 10 10 EECEHN Cc1cc(Cl)cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c1[O-] ZINC000827047667 1249688409 /nfs/dbraw/zinc/68/84/09/1249688409.db2.gz HJVRKYCYZLFQNI-UHFFFAOYSA-N 0 3 345.770 2.421 10 10 EECEHN Cc1cc(Cl)cc(CNCCS(=O)(=O)CC(F)(F)F)c1O ZINC000827047667 1249688426 /nfs/dbraw/zinc/68/84/26/1249688426.db2.gz HJVRKYCYZLFQNI-UHFFFAOYSA-N 0 3 345.770 2.421 10 10 EECEHN COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000826962447 1248296194 /nfs/dbraw/zinc/29/61/94/1248296194.db2.gz HONVOYKQLYTHLQ-UONOGXRCSA-N 0 3 346.349 2.192 10 10 EECEHN COc1ccc(N2CC[C@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000855231325 1293122099 /nfs/dbraw/zinc/12/20/99/1293122099.db2.gz KZHFDAVGZDGSDE-XHSDSOJGSA-N 0 3 331.460 2.263 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2ccccn2)cc1C ZINC001320945188 1332984904 /nfs/dbraw/zinc/98/49/04/1332984904.db2.gz SRJDBYKAXQCSGG-AATRIKPKSA-N 0 3 325.412 2.474 10 10 EECEHN COc1ccc(CNCC=CCNC(=O)c2[nH]c(C)nc2C)cc1C ZINC001321249869 1333055294 /nfs/dbraw/zinc/05/52/94/1333055294.db2.gz CTZKCYYCSGTMBY-AATRIKPKSA-N 0 3 342.443 2.419 10 10 EECEHN Cc1ccc(CN2CC[C@@H](NC(=O)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001636120065 1352659537 /nfs/dbraw/zinc/65/95/37/1352659537.db2.gz RDIQXPYRDPAIFG-QGZVFWFLSA-N 0 3 340.423 2.339 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c1[O-] ZINC000817364015 784742931 /nfs/dbraw/zinc/74/29/31/784742931.db2.gz BHVYROXGCQCTKW-CQSZACIVSA-N 0 3 342.395 2.042 10 10 EECEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](NC(C)=O)C2)c1[O-] ZINC000817364015 784742935 /nfs/dbraw/zinc/74/29/35/784742935.db2.gz BHVYROXGCQCTKW-CQSZACIVSA-N 0 3 342.395 2.042 10 10 EECEHN O[C@H]([C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1)C(F)(F)F ZINC000825124203 788447618 /nfs/dbraw/zinc/44/76/18/788447618.db2.gz JZWQHUWYDCJDJE-GOEBONIOSA-N 0 3 344.377 2.268 10 10 EECEHN COc1ccc(O)c(CN2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000180078480 464237359 /nfs/dbraw/zinc/23/73/59/464237359.db2.gz HWYOPHZDPSONBC-UHFFFAOYSA-N 0 3 328.416 2.212 10 10 EECEHN COc1ccc([O-])c(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000180078480 464237363 /nfs/dbraw/zinc/23/73/63/464237363.db2.gz HWYOPHZDPSONBC-UHFFFAOYSA-N 0 3 328.416 2.212 10 10 EECEHN COc1ccc([O-])c(C[N@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000180078480 464237368 /nfs/dbraw/zinc/23/73/68/464237368.db2.gz HWYOPHZDPSONBC-UHFFFAOYSA-N 0 3 328.416 2.212 10 10 EECEHN COC(=O)/C=C/c1ccc(N2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000192806427 465002032 /nfs/dbraw/zinc/00/20/32/465002032.db2.gz PHOZVLUFLDCFBI-HZRUHFOJSA-N 0 3 331.372 2.065 10 10 EECEHN CCOC(=O)C1(COC)CCN(Cc2cccc(OC)c2O)CC1 ZINC000373467443 466814078 /nfs/dbraw/zinc/81/40/78/466814078.db2.gz GMQOQZRQMBYAQS-UHFFFAOYSA-N 0 3 337.416 2.193 10 10 EECEHN CN(C)C[C@H]1CN(C(=O)/C=C/c2cncc(O)c2)c2ccccc2O1 ZINC000378538759 467334751 /nfs/dbraw/zinc/33/47/51/467334751.db2.gz AXJHGSOLRITHNT-WAVCKPEOSA-N 0 3 339.395 2.156 10 10 EECEHN COC(=O)c1c(CNCCOCC(F)F)c2cc(F)ccc2n1C ZINC000894538587 682960713 /nfs/dbraw/zinc/96/07/13/682960713.db2.gz SCNLFFPZKINPTF-UHFFFAOYSA-N 0 3 344.333 2.475 10 10 EECEHN COC(=O)c1c(CNCC[C@H](O)C(F)F)c2cc(F)ccc2n1C ZINC000895440176 684601228 /nfs/dbraw/zinc/60/12/28/684601228.db2.gz QQJYGDWXLYGZDR-ZDUSSCGKSA-N 0 3 344.333 2.210 10 10 EECEHN CC(C)OCCN(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482653172 1187483798 /nfs/dbraw/zinc/48/37/98/1187483798.db2.gz MYSJNZNNQICDGV-UHFFFAOYSA-N 0 3 349.435 2.278 10 10 EECEHN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccc1[O-] ZINC000866492100 1201530341 /nfs/dbraw/zinc/53/03/41/1201530341.db2.gz DITXOLRVKIIOHJ-DUVNUKRYSA-N 0 3 336.432 2.413 10 10 EECEHN C[NH+]1CCC(n2ccc(NC(=O)NCc3c([O-])cccc3F)n2)CC1 ZINC000931126151 1206608946 /nfs/dbraw/zinc/60/89/46/1206608946.db2.gz DRNZVSASBQPYTH-UHFFFAOYSA-N 0 3 347.394 2.316 10 10 EECEHN O=C1CCCN1[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093278005 1214839181 /nfs/dbraw/zinc/83/91/81/1214839181.db2.gz PESVZMNWOULKHQ-IBGZPJMESA-N 0 3 343.471 2.110 10 10 EECEHN COc1ccc(CN[C@@]2(CO)CCCN(C(=O)[C@H]3C[C@@H]3C)C2)cc1C ZINC001273902780 1289728873 /nfs/dbraw/zinc/72/88/73/1289728873.db2.gz HFWKFHRVTVBWMF-VHFSOBRXSA-N 0 3 346.471 2.103 10 10 EECEHN CC[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccccc1[O-] ZINC000858465951 1294124461 /nfs/dbraw/zinc/12/44/61/1294124461.db2.gz RJAAFOZQGMRJPD-QFBILLFUSA-N 0 3 334.460 2.049 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001283813889 1326270583 /nfs/dbraw/zinc/27/05/83/1326270583.db2.gz ROTMQLDXTOQVDJ-OKZBNKHCSA-N 0 3 346.471 2.007 10 10 EECEHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ccc(C(N)=O)cc1 ZINC001644183333 1352759332 /nfs/dbraw/zinc/75/93/32/1352759332.db2.gz JIFHLRQQTBVJIJ-VXGBXAGGSA-N 0 3 327.384 2.169 10 10 EECEHN C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC001655349643 1354170892 /nfs/dbraw/zinc/17/08/92/1354170892.db2.gz NTIURYVKRXMAOE-STQMWFEESA-N 0 3 332.356 2.391 10 10 EECEHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)c1cccc(Cl)n1 ZINC000170676665 463693215 /nfs/dbraw/zinc/69/32/15/463693215.db2.gz NCGZOZUSGZAWEF-UHFFFAOYSA-N 0 3 348.809 2.214 10 10 EECEHN C[C@H]1CC[C@](CO)(N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000187929741 464174469 /nfs/dbraw/zinc/17/44/69/464174469.db2.gz SPWKQZDNDWRXGT-JXFKEZNVSA-N 0 3 347.503 2.194 10 10 EECEHN COc1ccc(N2CCCN(C(=O)[C@@]3(C)CCCCN3)CC2)cc1 ZINC000180993160 464430518 /nfs/dbraw/zinc/43/05/18/464430518.db2.gz YGZZYDTUCQFCQJ-LJQANCHMSA-N 0 3 331.460 2.266 10 10 EECEHN COc1ccc(O)c([C@H](C)NCc2cccc(N3CCOCC3)n2)c1 ZINC000274807191 464755729 /nfs/dbraw/zinc/75/57/29/464755729.db2.gz SZZDXBGEXSUQJF-AWEZNQCLSA-N 0 3 343.427 2.483 10 10 EECEHN CCOc1ccc([O-])c(C[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000768650790 577560308 /nfs/dbraw/zinc/56/03/08/577560308.db2.gz KWLRFTDPHPZBOI-UHFFFAOYSA-N 0 3 327.446 2.095 10 10 EECEHN CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c([O-])c1 ZINC000769319120 577574929 /nfs/dbraw/zinc/57/49/29/577574929.db2.gz QBBGAXPEERVOOH-QGZVFWFLSA-N 0 3 334.460 2.478 10 10 EECEHN CCOc1ccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c([O-])c1 ZINC000769319120 577574930 /nfs/dbraw/zinc/57/49/30/577574930.db2.gz QBBGAXPEERVOOH-QGZVFWFLSA-N 0 3 334.460 2.478 10 10 EECEHN C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CCN1C ZINC000914201114 683355864 /nfs/dbraw/zinc/35/58/64/683355864.db2.gz XCLXVWVDRFSGCA-WMLDXEAASA-N 0 3 348.516 2.132 10 10 EECEHN COCC[C@@H](COC)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000810173965 1199351581 /nfs/dbraw/zinc/35/15/81/1199351581.db2.gz LRZWBISZXUFBQA-LBPRGKRZSA-N 0 3 348.237 2.304 10 10 EECEHN COc1ccc(N2CCN(CCCCCNC(C)=O)CC2)cc1F ZINC000929823944 1206505607 /nfs/dbraw/zinc/50/56/07/1206505607.db2.gz VLRJERFKNPNRNS-UHFFFAOYSA-N 0 3 337.439 2.263 10 10 EECEHN COc1ccc(N2CCCN(C(=O)C3(N)CC4(CCC4)C3)CC2)cc1 ZINC000851629986 1277690541 /nfs/dbraw/zinc/69/05/41/1277690541.db2.gz FAPWSDSIPSMYSK-UHFFFAOYSA-N 0 3 343.471 2.396 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)[C@]23C[C@H]2CCCC3)cc1C ZINC001278146991 1306097335 /nfs/dbraw/zinc/09/73/35/1306097335.db2.gz JIRGFEWUCLCHLE-FUHIMQAGSA-N 0 3 346.471 2.151 10 10 EECEHN CCN(CC)c1ccc(CN2CN(CCN(C)C)C(=O)[C@H]2C)cc1 ZINC000843428633 1315913819 /nfs/dbraw/zinc/91/38/19/1315913819.db2.gz LHMVUEKIDLMSEJ-MRXNPFEDSA-N 0 3 332.492 2.085 10 10 EECEHN C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccnn1C ZINC001351782901 1337848014 /nfs/dbraw/zinc/84/80/14/1337848014.db2.gz JPSKXRYGQADKAD-CQSZACIVSA-N 0 3 331.439 2.162 10 10 EECEHN COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000278819222 463994770 /nfs/dbraw/zinc/99/47/70/463994770.db2.gz ZEMLFQQHMYGZQJ-XJKSGUPXSA-N 0 3 343.851 2.200 10 10 EECEHN COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000278819222 463994777 /nfs/dbraw/zinc/99/47/77/463994777.db2.gz ZEMLFQQHMYGZQJ-XJKSGUPXSA-N 0 3 343.851 2.200 10 10 EECEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1[O-] ZINC000279383036 464096124 /nfs/dbraw/zinc/09/61/24/464096124.db2.gz JIGQQNMEFPZMNR-HNNXBMFYSA-N 0 3 339.233 2.175 10 10 EECEHN Cc1cc(Br)cc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1[O-] ZINC000279383036 464096132 /nfs/dbraw/zinc/09/61/32/464096132.db2.gz JIGQQNMEFPZMNR-HNNXBMFYSA-N 0 3 339.233 2.175 10 10 EECEHN COc1ccc(N2CCCN(C(=O)[C@]3(C)CCCCN3)CC2)cc1 ZINC000180993180 464430914 /nfs/dbraw/zinc/43/09/14/464430914.db2.gz YGZZYDTUCQFCQJ-IBGZPJMESA-N 0 3 331.460 2.266 10 10 EECEHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(OCC)ccc1O ZINC000364326260 466693741 /nfs/dbraw/zinc/69/37/41/466693741.db2.gz GASLKYRKJLQETC-GOEBONIOSA-N 0 3 337.416 2.333 10 10 EECEHN C[C@H](NCC(=O)N(C)CC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775254150 577433786 /nfs/dbraw/zinc/43/37/86/577433786.db2.gz HYUAWDVAQJDHLS-HNNXBMFYSA-N 0 3 331.460 2.042 10 10 EECEHN CNC(=O)CCOC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000775737115 577444393 /nfs/dbraw/zinc/44/43/93/577444393.db2.gz PCYUBKYSCKYMTK-UHFFFAOYSA-N 0 3 340.851 2.471 10 10 EECEHN COC(=O)c1c(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)c2cc(F)ccc2n1C ZINC000895780312 684726015 /nfs/dbraw/zinc/72/60/15/684726015.db2.gz GLBHKQRCHVSXRC-KHIZAZIESA-N 0 3 346.402 2.307 10 10 EECEHN CC[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(C)cc1[O-] ZINC000794810882 1198067896 /nfs/dbraw/zinc/06/78/96/1198067896.db2.gz NFXXPHPJHRRVSK-HNNXBMFYSA-N 0 3 326.462 2.167 10 10 EECEHN COc1cccc([O-])c1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000858236386 1294056463 /nfs/dbraw/zinc/05/64/63/1294056463.db2.gz LEOPBTWZFVZDME-UHFFFAOYSA-N 0 3 345.386 2.447 10 10 EECEHN CN(C)c1ccc([C@@H](CNC(=O)COc2ccsn2)N(C)C)cc1 ZINC001304767476 1331396398 /nfs/dbraw/zinc/39/63/98/1331396398.db2.gz HOWYSFIIHUVPQE-OAHLLOKOSA-N 0 3 348.472 2.007 10 10 EECEHN COCC[NH2+]C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000844900100 789442093 /nfs/dbraw/zinc/44/20/93/789442093.db2.gz JHMZGWJUAPLFKI-UHFFFAOYSA-N 0 3 343.265 2.355 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)C[C@@H]2CC=CCC2)cc1C ZINC001507222796 1115155199 /nfs/dbraw/zinc/15/51/99/1115155199.db2.gz SMKPCTDWJFQMRW-SJLPKXTDSA-N 0 3 346.471 2.317 10 10 EECEHN COc1ccc(O)c([C@@H](C)NCc2cccnc2-n2cncn2)c1 ZINC000185025460 463738339 /nfs/dbraw/zinc/73/83/39/463738339.db2.gz SSKVKIPIRKJLMA-GFCCVEGCSA-N 0 3 325.372 2.227 10 10 EECEHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)c1 ZINC000185025460 463738347 /nfs/dbraw/zinc/73/83/47/463738347.db2.gz SSKVKIPIRKJLMA-GFCCVEGCSA-N 0 3 325.372 2.227 10 10 EECEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000368046016 466570973 /nfs/dbraw/zinc/57/09/73/466570973.db2.gz WWMJOADYNFCEQB-ZDUSSCGKSA-N 0 3 328.416 2.543 10 10 EECEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000368046016 466570983 /nfs/dbraw/zinc/57/09/83/466570983.db2.gz WWMJOADYNFCEQB-ZDUSSCGKSA-N 0 3 328.416 2.543 10 10 EECEHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cccc(OCC)c1O ZINC000373587494 466857937 /nfs/dbraw/zinc/85/79/37/466857937.db2.gz XNTDZYRGKYHWSQ-HUUCEWRRSA-N 0 3 337.416 2.333 10 10 EECEHN c1cc(N2CCOCC2)ccc1CN1CCS[C@H]2COCC[C@@H]21 ZINC000091856005 534473361 /nfs/dbraw/zinc/47/33/61/534473361.db2.gz NZIOENMMUXNXIY-ROUUACIJSA-N 0 3 334.485 2.230 10 10 EECEHN CCC(C)(C)NC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775260577 577433882 /nfs/dbraw/zinc/43/38/82/577433882.db2.gz PLXDZIUYUWDVOZ-OAHLLOKOSA-N 0 3 333.476 2.479 10 10 EECEHN COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000777219785 577475238 /nfs/dbraw/zinc/47/52/38/577475238.db2.gz NLXJRIXCLKZVHR-CABCVRRESA-N 0 3 329.824 2.264 10 10 EECEHN COC[C@@H](C)N(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001691238851 1177753917 /nfs/dbraw/zinc/75/39/17/1177753917.db2.gz FLVJJNOMUOKRPP-GFCCVEGCSA-N 0 3 347.419 2.078 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3ccc(C)nn3)CC2)cc1C ZINC001670781949 1181703643 /nfs/dbraw/zinc/70/36/43/1181703643.db2.gz RBZIBLJQBONNNH-UHFFFAOYSA-N 0 3 340.427 2.154 10 10 EECEHN [O-]c1c(F)cc(Cl)cc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974652 1242811936 /nfs/dbraw/zinc/81/19/36/1242811936.db2.gz VLNNXWNUPMUBLF-CYBMUJFWSA-N 0 3 328.815 2.433 10 10 EECEHN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CNCC2(CCOCC2)C1 ZINC000903974652 1242811953 /nfs/dbraw/zinc/81/19/53/1242811953.db2.gz VLNNXWNUPMUBLF-CYBMUJFWSA-N 0 3 328.815 2.433 10 10 EECEHN CC[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccccc1[O-] ZINC000858465952 1294124634 /nfs/dbraw/zinc/12/46/34/1294124634.db2.gz RJAAFOZQGMRJPD-VQIMIIECSA-N 0 3 334.460 2.049 10 10 EECEHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000839152876 1315203575 /nfs/dbraw/zinc/20/35/75/1315203575.db2.gz CCUNORPJLXDGOQ-FQEVSTJZSA-N 0 3 343.423 2.290 10 10 EECEHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000839152876 1315203578 /nfs/dbraw/zinc/20/35/78/1315203578.db2.gz CCUNORPJLXDGOQ-FQEVSTJZSA-N 0 3 343.423 2.290 10 10 EECEHN CC(C)N(CCN(C)CCCO)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001332740678 1335895600 /nfs/dbraw/zinc/89/56/00/1335895600.db2.gz QHNGXSBEGOOLPC-UHFFFAOYSA-N 0 3 349.435 2.014 10 10 EECEHN C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1ccccc1[O-] ZINC001560075292 1342506314 /nfs/dbraw/zinc/50/63/14/1342506314.db2.gz ZRWMKNQLUVQOLY-CYBMUJFWSA-N 0 3 327.384 2.069 10 10 EECEHN COc1ccc(C[NH2+]Cc2cc(OC)c3c(c2)OCCO3)c([O-])c1 ZINC000793391401 810315032 /nfs/dbraw/zinc/31/50/32/810315032.db2.gz XVUNIQMIOAYZDN-UHFFFAOYSA-N 0 3 331.368 2.470 10 10 EECEHN CCC[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(C)C ZINC000122726559 463286806 /nfs/dbraw/zinc/28/68/06/463286806.db2.gz TYTUERMEELJZRM-SFHVURJKSA-N 0 3 333.476 2.212 10 10 EECEHN Cc1nc(CN2CCCN(Cc3ccc(N(C)C)cc3)CC2)no1 ZINC000179212358 464082951 /nfs/dbraw/zinc/08/29/51/464082951.db2.gz FHDFPADJLLTCQC-UHFFFAOYSA-N 0 3 329.448 2.152 10 10 EECEHN Cc1cc(N2CCC[C@H](NCc3cccc(C)c3O)C2=O)n(C)n1 ZINC000182482829 464666313 /nfs/dbraw/zinc/66/63/13/464666313.db2.gz RPRRDMOLKDTLHO-HNNXBMFYSA-N 0 3 328.416 2.028 10 10 EECEHN Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(C)c3[O-])C2=O)n(C)n1 ZINC000182482829 464666314 /nfs/dbraw/zinc/66/63/14/464666314.db2.gz RPRRDMOLKDTLHO-HNNXBMFYSA-N 0 3 328.416 2.028 10 10 EECEHN COc1ccc(CNC(=O)Nc2ccc3c(c2)OCCNC3)c(O)c1 ZINC000528709256 467733795 /nfs/dbraw/zinc/73/37/95/467733795.db2.gz MEVKKRPHCFYELW-UHFFFAOYSA-N 0 3 343.383 2.205 10 10 EECEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@](C)(CO)OC)c1[O-] ZINC000848556203 1186207158 /nfs/dbraw/zinc/20/71/58/1186207158.db2.gz PVASXIYNYQFYDU-YMTOWFKASA-N 0 3 348.237 2.211 10 10 EECEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CN=C(c2cnn(C)c2)O1 ZINC000929753642 1206498382 /nfs/dbraw/zinc/49/83/82/1206498382.db2.gz TWAYQZIIIFAROX-MRXNPFEDSA-N 0 3 328.416 2.183 10 10 EECEHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CN=C(c2cnn(C)c2)O1 ZINC000929753642 1206498384 /nfs/dbraw/zinc/49/83/84/1206498384.db2.gz TWAYQZIIIFAROX-MRXNPFEDSA-N 0 3 328.416 2.183 10 10 EECEHN COc1cc(O)c(CN[C@@H]2Cc3ccccc3N(C)C2=O)cc1OC ZINC000826902212 1248115498 /nfs/dbraw/zinc/11/54/98/1248115498.db2.gz ISAOJYWHVLTNJB-CQSZACIVSA-N 0 3 342.395 2.087 10 10 EECEHN COc1ccc(N2CC[C@@H](CNC(=O)C3(N)CC4(CCC4)C3)C2)cc1 ZINC000851641003 1277697681 /nfs/dbraw/zinc/69/76/81/1277697681.db2.gz INFVIECXLQLLKN-HNNXBMFYSA-N 0 3 343.471 2.299 10 10 EECEHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c1[O-] ZINC000862542910 1295872258 /nfs/dbraw/zinc/87/22/58/1295872258.db2.gz DAKQLBOBQZDKMB-RISCZKNCSA-N 0 3 339.779 2.365 10 10 EECEHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001142843021 1315768300 /nfs/dbraw/zinc/76/83/00/1315768300.db2.gz MZVQMFOHACCNRD-UHFFFAOYSA-N 0 3 346.402 2.370 10 10 EECEHN C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)N(C)Cc1ccccc1 ZINC001293471519 1328727137 /nfs/dbraw/zinc/72/71/37/1328727137.db2.gz WGBJTASJHBGNFH-AWEZNQCLSA-N 0 3 328.412 2.277 10 10 EECEHN C[C@H](NCC(=O)N1C[C@H](C)OC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001351321152 1337808312 /nfs/dbraw/zinc/80/83/12/1337808312.db2.gz VKKZXGZESCTSDU-GJZGRUSLSA-N 0 3 333.476 2.429 10 10 EECEHN CN(C(=O)c1cccc(O)c1[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC001627797234 1352510590 /nfs/dbraw/zinc/51/05/90/1352510590.db2.gz JQPQGNIHAWBPEZ-UHFFFAOYSA-N 0 3 330.384 2.315 10 10 EECEHN CC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1[O-] ZINC000797097022 798881950 /nfs/dbraw/zinc/88/19/50/798881950.db2.gz SSNFKZRKNLLVKU-ZFWWWQNUSA-N 0 3 326.462 2.247 10 10 EECEHN O=c1cc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)cc[nH]1 ZINC000922176425 799657940 /nfs/dbraw/zinc/65/79/40/799657940.db2.gz FAWTWLSZFNAMBZ-UHFFFAOYSA-N 0 3 335.354 2.192 10 10 EECEHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c([O-])c1C ZINC000527954511 317292672 /nfs/dbraw/zinc/29/26/72/317292672.db2.gz LRLZLENBZUIEKW-OXJNMPFZSA-N 0 3 348.487 2.275 10 10 EECEHN Cc1cccc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1[O-] ZINC000282971321 463719559 /nfs/dbraw/zinc/71/95/59/463719559.db2.gz IOLXABAVHMUAIR-KRWDZBQOSA-N 0 3 340.423 2.470 10 10 EECEHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278731810 463977215 /nfs/dbraw/zinc/97/72/15/463977215.db2.gz QMBJAJWTVYDDOY-OAHLLOKOSA-N 0 3 330.432 2.201 10 10 EECEHN C[C@H](O)CN1CCN(Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000245705965 464507802 /nfs/dbraw/zinc/50/78/02/464507802.db2.gz FACJTOGEKGVRSM-RYUDHWBXSA-N 0 3 343.265 2.042 10 10 EECEHN CCOCc1cc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)ccc1OC ZINC000363264298 466318065 /nfs/dbraw/zinc/31/80/65/466318065.db2.gz LCEPRLYOISGDTB-XKQJLSEDSA-N 0 3 332.444 2.331 10 10 EECEHN CN(C)c1ccc(CN2CCC[C@@H](c3ccnc(N)n3)C2)cc1F ZINC000368041856 466571691 /nfs/dbraw/zinc/57/16/91/466571691.db2.gz MBBQBUFAJAAVCT-CQSZACIVSA-N 0 3 329.423 2.644 10 10 EECEHN COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000777219795 577475261 /nfs/dbraw/zinc/47/52/61/577475261.db2.gz NLXJRIXCLKZVHR-GJZGRUSLSA-N 0 3 329.824 2.264 10 10 EECEHN COC(C)(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000768916058 577565694 /nfs/dbraw/zinc/56/56/94/577565694.db2.gz QMTJNVGQYMPWCA-UHFFFAOYSA-N 0 3 345.487 2.260 10 10 EECEHN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000747553827 577946235 /nfs/dbraw/zinc/94/62/35/577946235.db2.gz ABMIODKJPFSRRE-UHFFFAOYSA-N 0 3 344.463 2.141 10 10 EECEHN COC(=O)c1c(CNCCC2(O)CCC2)c2cc(F)ccc2n1C ZINC000894700685 683036776 /nfs/dbraw/zinc/03/67/76/683036776.db2.gz ZBDAWQWWVICHER-UHFFFAOYSA-N 0 3 334.391 2.499 10 10 EECEHN C[C@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccccc1O ZINC000868783479 1201878819 /nfs/dbraw/zinc/87/88/19/1201878819.db2.gz MOICTWIFSPRZFQ-ZFWWWQNUSA-N 0 3 333.432 2.006 10 10 EECEHN CC(=O)c1cc(F)cc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c1[O-] ZINC000932762384 1207672831 /nfs/dbraw/zinc/67/28/31/1207672831.db2.gz LZMZKBQJDTZRNK-UHFFFAOYSA-N 0 3 336.363 2.198 10 10 EECEHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000246049160 1212013108 /nfs/dbraw/zinc/01/31/08/1212013108.db2.gz PHMCVJLBZIALPL-FDQGKXFDSA-N 0 3 348.443 2.221 10 10 EECEHN CN(CCCN(C)C(=O)Cc1ccc(O)c(O)c1)Cc1ccncc1 ZINC001160609963 1320211520 /nfs/dbraw/zinc/21/15/20/1320211520.db2.gz OHULYTJDEVIZIF-UHFFFAOYSA-N 0 3 343.427 2.016 10 10 EECEHN COCC1(C(=O)NCC2(NCc3ccc(OC)c(C)c3)CC2)CC1 ZINC001323489935 1333474979 /nfs/dbraw/zinc/47/49/79/1333474979.db2.gz OMBMYBLBNOAZAN-UHFFFAOYSA-N 0 3 332.444 2.169 10 10 EECEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2COC[C@H]2OC)c1[O-] ZINC000848552831 1338720698 /nfs/dbraw/zinc/72/06/98/1338720698.db2.gz OJQPWLUEKPIJLX-LJUAHTATSA-N 0 3 346.221 2.228 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)C2CCC=CCC2)cc1C ZINC001507259953 1115163326 /nfs/dbraw/zinc/16/33/26/1115163326.db2.gz IKCHLVIGGUGZBU-GOSISDBHSA-N 0 3 346.471 2.317 10 10 EECEHN CN(C)c1ccc(CN2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000121538307 463153114 /nfs/dbraw/zinc/15/31/14/463153114.db2.gz MOISAYPPBAHIAT-UHFFFAOYSA-N 0 3 327.476 2.194 10 10 EECEHN C[C@H]1CC[C@@](CO)(N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000187929680 464174566 /nfs/dbraw/zinc/17/45/66/464174566.db2.gz SPWKQZDNDWRXGT-OXJNMPFZSA-N 0 3 347.503 2.194 10 10 EECEHN COc1ccc([O-])c(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000180079122 464237309 /nfs/dbraw/zinc/23/73/09/464237309.db2.gz ZZZADFODAAMQRK-OAHLLOKOSA-N 0 3 328.416 2.292 10 10 EECEHN COc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000180079122 464237316 /nfs/dbraw/zinc/23/73/16/464237316.db2.gz ZZZADFODAAMQRK-OAHLLOKOSA-N 0 3 328.416 2.292 10 10 EECEHN CN(C)c1ccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1F ZINC000174442739 464408551 /nfs/dbraw/zinc/40/85/51/464408551.db2.gz QTUOJZJPIQMHID-OAHLLOKOSA-N 0 3 332.423 2.047 10 10 EECEHN COc1cccc(CNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1O ZINC000745807364 577918936 /nfs/dbraw/zinc/91/89/36/577918936.db2.gz BEFRRJTYVIQJFT-OKILXGFUSA-N 0 3 335.448 2.463 10 10 EECEHN CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000741092106 578112891 /nfs/dbraw/zinc/11/28/91/578112891.db2.gz VESPCDLORGBTIX-LJQANCHMSA-N 0 3 340.471 2.441 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2C[C@]23CCOC3)cc1C ZINC001483080028 1188441095 /nfs/dbraw/zinc/44/10/95/1188441095.db2.gz KANWFRJCTURVOG-LADOFLMKSA-N 0 3 344.455 2.192 10 10 EECEHN CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(C)cc1[O-] ZINC000794810883 1198067299 /nfs/dbraw/zinc/06/72/99/1198067299.db2.gz NFXXPHPJHRRVSK-OAHLLOKOSA-N 0 3 326.462 2.167 10 10 EECEHN CC[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1[O-] ZINC000858488743 1294131533 /nfs/dbraw/zinc/13/15/33/1294131533.db2.gz KLJQEUTVQJWQIQ-ZFWWWQNUSA-N 0 3 338.415 2.150 10 10 EECEHN CNC(=O)[C@@H](C[NH2+]Cc1ccccc1[O-])Cc1ccc(OC)c(F)c1 ZINC000842718621 1315760391 /nfs/dbraw/zinc/76/03/91/1315760391.db2.gz QJALUETUZFUADY-OAHLLOKOSA-N 0 3 346.402 2.234 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)C[C@H]2C=CCCC2)cc1C ZINC001331738792 1335065394 /nfs/dbraw/zinc/06/53/94/1335065394.db2.gz IZARDDTWJRXTLG-WMZOPIPTSA-N 0 3 346.471 2.317 10 10 EECEHN Cc1ccc([C@H](CNC(=O)Cc2ccc(O)c(O)c2)N(C)C)cc1 ZINC001597975255 1349934123 /nfs/dbraw/zinc/93/41/23/1349934123.db2.gz ZXMHLOXKHXONTH-INIZCTEOSA-N 0 3 328.412 2.368 10 10 EECEHN O=C(NCc1c(O)cccc1O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001647270655 1353213246 /nfs/dbraw/zinc/21/32/46/1353213246.db2.gz VZVBTNFUDLCRFQ-HNNXBMFYSA-N 0 3 341.411 2.021 10 10 EECEHN O=C(NCc1cc(O)ccc1O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001651223013 1354044926 /nfs/dbraw/zinc/04/49/26/1354044926.db2.gz WFGULIKJVUFYBL-OAHLLOKOSA-N 0 3 341.411 2.021 10 10 EECEHN C[C@H](CN1CCOCC1)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001652842084 1354105757 /nfs/dbraw/zinc/10/57/57/1354105757.db2.gz IIYHWYMTEXRYAE-IEBWSBKVSA-N 0 3 348.487 2.342 10 10 EECEHN C[C@H](CN1CCOCC1)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001652842084 1354105760 /nfs/dbraw/zinc/10/57/60/1354105760.db2.gz IIYHWYMTEXRYAE-IEBWSBKVSA-N 0 3 348.487 2.342 10 10 EECEHN COc1cccc(CN2CCC(c3nc(N(C)C)no3)CC2)c1O ZINC000191909585 533477831 /nfs/dbraw/zinc/47/78/31/533477831.db2.gz ZNJNXQKXJSIEBW-UHFFFAOYSA-N 0 3 332.404 2.229 10 10 EECEHN C[C@@H](O)CN1CCN(Cc2cc(Br)ccc2O)C[C@H]1C ZINC000120567463 463013525 /nfs/dbraw/zinc/01/35/25/463013525.db2.gz FACJTOGEKGVRSM-VXGBXAGGSA-N 0 3 343.265 2.042 10 10 EECEHN Cc1ccc(O)c(CNCc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000185071321 463747228 /nfs/dbraw/zinc/74/72/28/463747228.db2.gz AHFNFBJLTMFZAD-UHFFFAOYSA-N 0 3 331.391 2.361 10 10 EECEHN CCCN(CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccccc1O ZINC000371390584 465764182 /nfs/dbraw/zinc/76/41/82/465764182.db2.gz XZXSCCHSIXIZPJ-QGZVFWFLSA-N 0 3 332.444 2.242 10 10 EECEHN COc1ccc([O-])c(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1 ZINC000378558159 467340719 /nfs/dbraw/zinc/34/07/19/467340719.db2.gz GDEOAPQJCFUIDZ-UHFFFAOYSA-N 0 3 328.416 2.292 10 10 EECEHN COc1ccc([O-])c(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c1 ZINC000378558159 467340722 /nfs/dbraw/zinc/34/07/22/467340722.db2.gz GDEOAPQJCFUIDZ-UHFFFAOYSA-N 0 3 328.416 2.292 10 10 EECEHN CN1CCCc2cc(CNCCN3C(=O)c4ccccc4C3=O)ccc21 ZINC000727644426 576442057 /nfs/dbraw/zinc/44/20/57/576442057.db2.gz FAFWJQQXKZQZEP-UHFFFAOYSA-N 0 3 349.434 2.455 10 10 EECEHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c2c1c(F)ccc2[O-] ZINC000756737718 577849641 /nfs/dbraw/zinc/84/96/41/577849641.db2.gz 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C[C@H](NCc1cc(N)ccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000925772132 1206152583 /nfs/dbraw/zinc/15/25/83/1206152583.db2.gz QBCALHPVLLPQSL-ZDUSSCGKSA-N 0 3 330.407 2.490 10 10 EECEHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCC[C@@H]2O)c1[O-] ZINC000304318407 1214662044 /nfs/dbraw/zinc/66/20/44/1214662044.db2.gz LVFDILCGIFEPGC-SKDRFNHKSA-N 0 3 330.222 2.414 10 10 EECEHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000850358053 1277197124 /nfs/dbraw/zinc/19/71/24/1277197124.db2.gz FFAJGYGHQRMIHT-FQEVSTJZSA-N 0 3 343.423 2.317 10 10 EECEHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)c1[O-] ZINC000850506000 1277252836 /nfs/dbraw/zinc/25/28/36/1277252836.db2.gz APDKQLXVKWXWGH-LRDDRELGSA-N 0 3 329.824 2.173 10 10 EECEHN C[C@H](NC(=O)C1(N)CC2(CCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000851631244 1277692914 /nfs/dbraw/zinc/69/29/14/1277692914.db2.gz YWTYKRHXEHBTKB-HNNXBMFYSA-N 0 3 343.471 2.362 10 10 EECEHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CN(Cc3ccncc3)CCO1)CC2 ZINC000858564148 1294154937 /nfs/dbraw/zinc/15/49/37/1294154937.db2.gz GCWYEKHODPJVPW-QZTJIDSGSA-N 0 3 339.439 2.265 10 10 EECEHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC3(CC3)CC1)cc2=O ZINC000860072588 1294788263 /nfs/dbraw/zinc/78/82/63/1294788263.db2.gz RXSIFXLOKJEJRF-UHFFFAOYSA-N 0 3 344.415 2.378 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)c2ccc(C)s2)cc1C ZINC001278040818 1305768788 /nfs/dbraw/zinc/76/87/88/1305768788.db2.gz FBFFCNPCKVZLLL-HNNXBMFYSA-N 0 3 348.468 2.254 10 10 EECEHN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCN2CCC1CC2 ZINC000840481379 1315368914 /nfs/dbraw/zinc/36/89/14/1315368914.db2.gz DCSPQFGDXDIYEN-MRXNPFEDSA-N 0 3 344.503 2.482 10 10 EECEHN CCOc1ccc(C[N@@H+]2CCSC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000840977295 1315449953 /nfs/dbraw/zinc/44/99/53/1315449953.db2.gz JQRZTYDJRWQZGB-ZDUSSCGKSA-N 0 3 325.430 2.129 10 10 EECEHN CCOc1ccc(C[N@H+]2CCSC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000840977295 1315449954 /nfs/dbraw/zinc/44/99/54/1315449954.db2.gz JQRZTYDJRWQZGB-ZDUSSCGKSA-N 0 3 325.430 2.129 10 10 EECEHN C[C@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1O ZINC001644183775 1352759496 /nfs/dbraw/zinc/75/94/96/1352759496.db2.gz RTRJZZXOIGSECZ-LBPRGKRZSA-N 0 3 348.424 2.085 10 10 EECEHN O=C1O[C@H](C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1C1CC1 ZINC000844308016 789003358 /nfs/dbraw/zinc/00/33/58/789003358.db2.gz VYWCFQWAGHMROK-DLBZAZTESA-N 0 3 346.427 2.356 10 10 EECEHN O=C1O[C@H](C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CN1C1CC1 ZINC000844308016 789003369 /nfs/dbraw/zinc/00/33/69/789003369.db2.gz VYWCFQWAGHMROK-DLBZAZTESA-N 0 3 346.427 2.356 10 10 EECEHN CCCOc1ccc(CNC[C@]2(OC)CCS(=O)(=O)C2)cc1C ZINC000922618505 801531529 /nfs/dbraw/zinc/53/15/29/801531529.db2.gz MFJDWUMLZGKVBF-QGZVFWFLSA-N 0 3 341.473 2.077 10 10 EECEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1 ZINC000194939247 463963667 /nfs/dbraw/zinc/96/36/67/463963667.db2.gz AVSLKEKHWSYHMY-LBPRGKRZSA-N 0 3 332.404 2.229 10 10 EECEHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1 ZINC000194939247 463963674 /nfs/dbraw/zinc/96/36/74/463963674.db2.gz AVSLKEKHWSYHMY-LBPRGKRZSA-N 0 3 332.404 2.229 10 10 EECEHN CN(C)c1ccc(CN[C@H]2CCC(=O)N(C)C2)c(C(F)(F)F)c1 ZINC000280828101 464257919 /nfs/dbraw/zinc/25/79/19/464257919.db2.gz JKORXUFWMUIMPF-LBPRGKRZSA-N 0 3 329.366 2.482 10 10 EECEHN COC(=O)/C=C/c1ccc(N2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248899433 464818162 /nfs/dbraw/zinc/81/81/62/464818162.db2.gz PHOZVLUFLDCFBI-DYLGSBMWSA-N 0 3 331.372 2.065 10 10 EECEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000368046011 466571501 /nfs/dbraw/zinc/57/15/01/466571501.db2.gz WWMJOADYNFCEQB-CYBMUJFWSA-N 0 3 328.416 2.543 10 10 EECEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000368046011 466571505 /nfs/dbraw/zinc/57/15/05/466571505.db2.gz WWMJOADYNFCEQB-CYBMUJFWSA-N 0 3 328.416 2.543 10 10 EECEHN COCCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773307002 577331947 /nfs/dbraw/zinc/33/19/47/577331947.db2.gz NBXNRWIIXHPTNQ-YJBOKZPZSA-N 0 3 348.491 2.224 10 10 EECEHN CN(CC[NH+]1CC2(C1)CCOCC2)Cc1cc(F)cc(F)c1[O-] ZINC000895462066 684609060 /nfs/dbraw/zinc/60/90/60/684609060.db2.gz HXBOLBIVPHXIQG-UHFFFAOYSA-N 0 3 326.387 2.215 10 10 EECEHN COc1ccc(N2CCCN(C(=O)N[C@@H]3CCN(C)[C@H]3C)CC2)cc1 ZINC000925318231 1206095404 /nfs/dbraw/zinc/09/54/04/1206095404.db2.gz DLRHNTAHTGFKOQ-MAUKXSAKSA-N 0 3 346.475 2.010 10 10 EECEHN COc1cc(Cl)cc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c1[O-] ZINC000826867495 1248100053 /nfs/dbraw/zinc/10/00/53/1248100053.db2.gz KDLRKQUCQXHHDS-OAQYLSRUSA-N 0 3 345.770 2.455 10 10 EECEHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2COCCN2C)c1[O-] ZINC000858523393 1294143398 /nfs/dbraw/zinc/14/33/98/1294143398.db2.gz QWGHVNOZUDMBMO-YPMHNXCESA-N 0 3 343.265 2.444 10 10 EECEHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]([NH3+])CC(C)C ZINC000841006079 1315452879 /nfs/dbraw/zinc/45/28/79/1315452879.db2.gz IGGBAYVWYRVUFV-AWEZNQCLSA-N 0 3 328.840 2.394 10 10 EECEHN COc1ccc(N2CCC(N[C@H]3CNCCC3(F)F)CC2)cc1 ZINC000841080817 1315469679 /nfs/dbraw/zinc/46/96/79/1315469679.db2.gz QPPOICLWLRTYKI-INIZCTEOSA-N 0 3 325.403 2.251 10 10 EECEHN CCOc1ccc(O)c(CN2CCCN(Cc3noc(C)n3)CC2)c1 ZINC000127949999 462597012 /nfs/dbraw/zinc/59/70/12/462597012.db2.gz DETKJEZBOPIRST-UHFFFAOYSA-N 0 3 346.431 2.190 10 10 EECEHN Cc1cc(Cl)cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1[O-] ZINC000282402280 464804576 /nfs/dbraw/zinc/80/45/76/464804576.db2.gz RTMIQIPQZSNAIS-UHFFFAOYSA-N 0 3 325.884 2.470 10 10 EECEHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282825349 464963421 /nfs/dbraw/zinc/96/34/21/464963421.db2.gz NPXXCPURGOTXMO-KBXCAEBGSA-N 0 3 335.444 2.448 10 10 EECEHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282825356 464964142 /nfs/dbraw/zinc/96/41/42/464964142.db2.gz NPXXCPURGOTXMO-KSSFIOAISA-N 0 3 335.444 2.448 10 10 EECEHN CN1CCCc2cc(CNC(=O)N3CCN4CCC3CC4)ccc21 ZINC000367890734 466550948 /nfs/dbraw/zinc/55/09/48/466550948.db2.gz ULZUNNZUPSKAMA-UHFFFAOYSA-N 0 3 328.460 2.059 10 10 EECEHN COc1ccc(N2CCCN(C(=O)CC3CCN(C)CC3)CC2)cc1 ZINC000368330773 466597934 /nfs/dbraw/zinc/59/79/34/466597934.db2.gz YGGYLKMJAMHJIK-UHFFFAOYSA-N 0 3 345.487 2.466 10 10 EECEHN COc1cc(C)cc(CN[C@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000895238124 684343295 /nfs/dbraw/zinc/34/32/95/684343295.db2.gz WLLSYMBFXDEPOX-HNNXBMFYSA-N 0 3 326.396 2.387 10 10 EECEHN COc1ccc(CNCC=CCNC(=O)c2n[nH]c(C)c2C)cc1C ZINC001268521219 1183171093 /nfs/dbraw/zinc/17/10/93/1183171093.db2.gz DTLFHKNBYHYTOU-WAYWQWQTSA-N 0 3 342.443 2.419 10 10 EECEHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)c1[O-] ZINC000866520234 1201538921 /nfs/dbraw/zinc/53/89/21/1201538921.db2.gz DUDGULUSABZPJQ-BZNIZROVSA-N 0 3 340.807 2.226 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@@H](O)CC1(O)CCC1)C[C@H]1CCCO1 ZINC000859190069 1294344141 /nfs/dbraw/zinc/34/41/41/1294344141.db2.gz FDQZXEZBFSWHPG-DLBZAZTESA-N 0 3 335.444 2.039 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)CC1(O)CCC1)C[C@H]1CCCO1 ZINC000859190069 1294344148 /nfs/dbraw/zinc/34/41/48/1294344148.db2.gz FDQZXEZBFSWHPG-DLBZAZTESA-N 0 3 335.444 2.039 10 10 EECEHN COc1cc(Cl)cc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c1[O-] ZINC001332020938 1335707689 /nfs/dbraw/zinc/70/76/89/1335707689.db2.gz FQGVHMJJNFABFR-GFCCVEGCSA-N 0 3 333.837 2.111 10 10 EECEHN Cc1ccc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c([O-])c1O ZINC001348779057 1337575492 /nfs/dbraw/zinc/57/54/92/1337575492.db2.gz JVZCEQKTHSPNBI-UHFFFAOYSA-N 0 3 330.388 2.122 10 10 EECEHN CCO[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@H]1C[NH3+] ZINC000844904025 789445093 /nfs/dbraw/zinc/44/50/93/789445093.db2.gz WRISOCASVVGBOG-TZMCWYRMSA-N 0 3 343.265 2.259 10 10 EECEHN COc1ccc(N2CCC(NC(=O)N[C@H]3CCN(C)[C@@H]3C)CC2)cc1 ZINC000916226000 797557074 /nfs/dbraw/zinc/55/70/74/797557074.db2.gz MOGGFPQDPXJKLG-KDOFPFPSSA-N 0 3 346.475 2.056 10 10 EECEHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120249789 462978142 /nfs/dbraw/zinc/97/81/42/462978142.db2.gz PMTNUBPXSVYKPZ-CQSZACIVSA-N 0 3 342.399 2.012 10 10 EECEHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120249789 462978149 /nfs/dbraw/zinc/97/81/49/462978149.db2.gz PMTNUBPXSVYKPZ-CQSZACIVSA-N 0 3 342.399 2.012 10 10 EECEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000185552547 463843274 /nfs/dbraw/zinc/84/32/74/463843274.db2.gz WAWUJRSNXKZLQH-KGLIPLIRSA-N 0 3 330.432 2.454 10 10 EECEHN Cc1cccc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1[O-] ZINC000367701108 466500778 /nfs/dbraw/zinc/50/07/78/466500778.db2.gz KNWDJKSNMFEMKX-UHFFFAOYSA-N 0 3 332.429 2.403 10 10 EECEHN CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)C[C@]2(CCOC2)O1 ZINC000376019430 529123793 /nfs/dbraw/zinc/12/37/93/529123793.db2.gz AQFDYDADMXSBQF-FQEVSTJZSA-N 0 3 346.471 2.293 10 10 EECEHN C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])CCC3)CC[C@@H]1N1CCN(C)CC1 ZINC000763343975 577719618 /nfs/dbraw/zinc/71/96/18/577719618.db2.gz ZNLSNKWNAQUULZ-JXFKEZNVSA-N 0 3 343.515 2.339 10 10 EECEHN C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])CCC3)CC[C@@H]1N1CCN(C)CC1 ZINC000763343975 577719619 /nfs/dbraw/zinc/71/96/19/577719619.db2.gz ZNLSNKWNAQUULZ-JXFKEZNVSA-N 0 3 343.515 2.339 10 10 EECEHN C[C@@H]1C[C@@H]([NH2+]CCCN2CCCS2(=O)=O)c2c1c(F)ccc2[O-] ZINC000756686032 577848532 /nfs/dbraw/zinc/84/85/32/577848532.db2.gz HHDSSTVQIZGOTD-DGCLKSJQSA-N 0 3 342.436 2.095 10 10 EECEHN COc1ccc(O)c(CN[C@@]2(CO)CCc3c2cccc3OC)c1 ZINC000895634643 684666601 /nfs/dbraw/zinc/66/66/01/684666601.db2.gz NAQCNRMHAZWPSR-LJQANCHMSA-N 0 3 329.396 2.333 10 10 EECEHN COc1cc(Cl)cc(C[NH+]2CCC3(CC2)COCCO3)c1[O-] ZINC000895696249 684691934 /nfs/dbraw/zinc/69/19/34/684691934.db2.gz QKSPZPZNNAXWNV-UHFFFAOYSA-N 0 3 327.808 2.436 10 10 EECEHN COc1cc(Cl)cc(CN2CCC3(CC2)COCCO3)c1O ZINC000895696249 684691935 /nfs/dbraw/zinc/69/19/35/684691935.db2.gz QKSPZPZNNAXWNV-UHFFFAOYSA-N 0 3 327.808 2.436 10 10 EECEHN C[C@@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1[O-] ZINC000866522762 1201540539 /nfs/dbraw/zinc/54/05/39/1201540539.db2.gz ZRNARIUXZCFRTR-CYBMUJFWSA-N 0 3 339.395 2.295 10 10 EECEHN CCS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000827579925 1248470118 /nfs/dbraw/zinc/47/01/18/1248470118.db2.gz LQLUNGHMFWSDEU-UHFFFAOYSA-N 0 3 333.837 2.111 10 10 EECEHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(N)CC2(CCC2)C1 ZINC000852857481 1292216458 /nfs/dbraw/zinc/21/64/58/1292216458.db2.gz UVMFXMOLWUSNBI-UHFFFAOYSA-N 0 3 343.471 2.143 10 10 EECEHN CN(C)c1ccc([C@@H](CNC(=O)[C@H](O)C2CCCCC2)N(C)C)cc1 ZINC001304769697 1331396269 /nfs/dbraw/zinc/39/62/69/1331396269.db2.gz XSBGPEPLDCAQBF-RTBURBONSA-N 0 3 347.503 2.413 10 10 EECEHN NC(=O)CC1(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000789552297 808061044 /nfs/dbraw/zinc/06/10/44/808061044.db2.gz CZGQYKUUFWJKNU-UHFFFAOYSA-N 0 3 346.431 2.473 10 10 EECEHN Cc1cc([O-])c(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1C ZINC000121560615 463157571 /nfs/dbraw/zinc/15/75/71/463157571.db2.gz DXAHEGXYABGEKC-UHFFFAOYSA-N 0 3 328.460 2.450 10 10 EECEHN Cc1cc([O-])c(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1C ZINC000121560615 463157576 /nfs/dbraw/zinc/15/75/76/463157576.db2.gz DXAHEGXYABGEKC-UHFFFAOYSA-N 0 3 328.460 2.450 10 10 EECEHN CN1C(=O)c2ccccc2[C@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000527804041 467665885 /nfs/dbraw/zinc/66/58/85/467665885.db2.gz ANHCUDGCGFYEAE-CQSZACIVSA-N 0 3 326.352 2.037 10 10 EECEHN COc1ccc(CNC(=O)NC[C@@H]2CCN2C2CCCC2)c(O)c1 ZINC000528297212 467678853 /nfs/dbraw/zinc/67/88/53/467678853.db2.gz UKEJYXRDZJRTIU-HNNXBMFYSA-N 0 3 333.432 2.217 10 10 EECEHN COc1cccc(CNC(=O)Nc2ccc3c(c2)OCCNC3)c1O ZINC000528723762 467739930 /nfs/dbraw/zinc/73/99/30/467739930.db2.gz WJQHWUVWABYGOR-UHFFFAOYSA-N 0 3 343.383 2.205 10 10 EECEHN COc1cc(CN(C)Cc2cc3c(cc2O)OC[C@H]3O)cc(OC)c1 ZINC000768444388 577555836 /nfs/dbraw/zinc/55/58/36/577555836.db2.gz YBTNHDDEUGDNDM-GOSISDBHSA-N 0 3 345.395 2.467 10 10 EECEHN CNC(=O)C1(NCc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000895884500 684760836 /nfs/dbraw/zinc/76/08/36/684760836.db2.gz PEIWKWXULZJURG-UHFFFAOYSA-N 0 3 331.460 2.062 10 10 EECEHN Cc1nnccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000930818793 1206585693 /nfs/dbraw/zinc/58/56/93/1206585693.db2.gz OKIPQXUXVGJKDE-QGZVFWFLSA-N 0 3 342.447 2.275 10 10 EECEHN CC[C@@H]1C[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC000850322673 1277171559 /nfs/dbraw/zinc/17/15/59/1277171559.db2.gz CTFHYTACWGEETQ-UONOGXRCSA-N 0 3 326.387 2.459 10 10 EECEHN COC(=O)[C@]1(OC)CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000863296608 1296205911 /nfs/dbraw/zinc/20/59/11/1296205911.db2.gz KPCNBNWNOAPWJJ-IBGZPJMESA-N 0 3 345.395 2.318 10 10 EECEHN COC(=O)[C@]1(OC)CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000863296608 1296205922 /nfs/dbraw/zinc/20/59/22/1296205922.db2.gz KPCNBNWNOAPWJJ-IBGZPJMESA-N 0 3 345.395 2.318 10 10 EECEHN COc1cc(Br)cc([C@H](C)[NH2+]CCOCCCO)c1[O-] ZINC001326848260 1334169995 /nfs/dbraw/zinc/16/99/95/1334169995.db2.gz ZQPMEYFRAMMBPY-JTQLQIEISA-N 0 3 348.237 2.213 10 10 EECEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CC(N)=O)c1[O-] ZINC000848534330 1338716577 /nfs/dbraw/zinc/71/65/77/1338716577.db2.gz ZFFRLKSJSUXWFN-YUMQZZPRSA-N 0 3 331.210 2.078 10 10 EECEHN COC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001175419470 798101660 /nfs/dbraw/zinc/10/16/60/798101660.db2.gz UUEGGLSZBLFXFY-LBPRGKRZSA-N 0 3 328.368 2.468 10 10 EECEHN CN(CCNCc1cccnc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001493809092 1108688542 /nfs/dbraw/zinc/68/85/42/1108688542.db2.gz FGJICTYCOLUIFV-UHFFFAOYSA-N 0 3 340.387 2.106 10 10 EECEHN CCCc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]n1 ZINC001456938806 1109374505 /nfs/dbraw/zinc/37/45/05/1109374505.db2.gz YXYRGJXTIKSHNN-GOSISDBHSA-N 0 3 343.475 2.461 10 10 EECEHN CCn1nccc1N1CCC[C@H](NCc2cc(C)ccc2O)C1=O ZINC000191638255 237266062 /nfs/dbraw/zinc/26/60/62/237266062.db2.gz YLXSNNHPVYHOGD-HNNXBMFYSA-N 0 3 328.416 2.202 10 10 EECEHN CCn1nccc1N1CCC[C@H]([NH2+]Cc2cc(C)ccc2[O-])C1=O ZINC000191638255 237266076 /nfs/dbraw/zinc/26/60/76/237266076.db2.gz YLXSNNHPVYHOGD-HNNXBMFYSA-N 0 3 328.416 2.202 10 10 EECEHN COc1cccc(CN2CCCN(c3ccc(C)nn3)CC2)c1O ZINC000093272056 533476837 /nfs/dbraw/zinc/47/68/37/533476837.db2.gz MUUQHXPPLIANNL-UHFFFAOYSA-N 0 3 328.416 2.212 10 10 EECEHN Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1[O-] ZINC000282971326 463719162 /nfs/dbraw/zinc/71/91/62/463719162.db2.gz IOLXABAVHMUAIR-QGZVFWFLSA-N 0 3 340.423 2.470 10 10 EECEHN Cc1cc(Cl)cc(C[NH2+][C@H](C)CCN2CCN(C)CC2)c1[O-] ZINC000186595522 464029766 /nfs/dbraw/zinc/02/97/66/464029766.db2.gz XQBBGGWXXRZRKR-CQSZACIVSA-N 0 3 325.884 2.470 10 10 EECEHN C[C@@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccc(N(C)C)cc1 ZINC000776237559 577455391 /nfs/dbraw/zinc/45/53/91/577455391.db2.gz HHJJETFBVQDWIA-CRAIPNDOSA-N 0 3 328.460 2.469 10 10 EECEHN CCCn1cc([C@H](C)NCc2ccc(N3CCN(C)CC3)cc2)nn1 ZINC000903089913 694198715 /nfs/dbraw/zinc/19/87/15/694198715.db2.gz WVUYIKJNQLNZDZ-INIZCTEOSA-N 0 3 342.491 2.291 10 10 EECEHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000850358054 1277197097 /nfs/dbraw/zinc/19/70/97/1277197097.db2.gz FFAJGYGHQRMIHT-HXUWFJFHSA-N 0 3 343.423 2.317 10 10 EECEHN CCN(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1 ZINC000854297748 1292709539 /nfs/dbraw/zinc/70/95/39/1292709539.db2.gz WDMNZNSXIMXMDO-NVXWUHKLSA-N 0 3 346.475 2.010 10 10 EECEHN C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccccc1[O-] ZINC000842884877 1315791978 /nfs/dbraw/zinc/79/19/78/1315791978.db2.gz UVTUOKSKVASNLT-STQMWFEESA-N 0 3 333.409 2.278 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1C ZINC001331757065 1335067443 /nfs/dbraw/zinc/06/74/43/1335067443.db2.gz HPEJZMVKSPYJBR-BRWVUGGUSA-N 0 3 348.487 2.253 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2nccc(C)n2)cc1C ZINC001497569567 1102680679 /nfs/dbraw/zinc/68/06/79/1102680679.db2.gz VFTSCBFOUZQUDL-SNAWJCMRSA-N 0 3 340.427 2.178 10 10 EECEHN COc1ccc(CNC2(CNC(=O)CCn3ccnc3)CC2)cc1C ZINC001499306075 1112227508 /nfs/dbraw/zinc/22/75/08/1112227508.db2.gz PDSXHTLAADHGHO-UHFFFAOYSA-N 0 3 342.443 2.029 10 10 EECEHN Cc1cc([O-])c(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)cc1C ZINC000054520606 214242266 /nfs/dbraw/zinc/24/22/66/214242266.db2.gz PBKAMVPJJRNXTR-UHFFFAOYSA-N 0 3 342.443 2.137 10 10 EECEHN CCC[C@H](C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)N(C)C ZINC000153009196 462605285 /nfs/dbraw/zinc/60/52/85/462605285.db2.gz UNEMWCQPNITJLI-MRXNPFEDSA-N 0 3 337.439 2.213 10 10 EECEHN Cc1cc(Cl)cc(C[N@@H+](C)CCCN2CCN(C)CC2)c1[O-] ZINC000289505786 464082443 /nfs/dbraw/zinc/08/24/43/464082443.db2.gz UDNTVTKGCOKNCJ-UHFFFAOYSA-N 0 3 325.884 2.423 10 10 EECEHN Cc1cc(Cl)cc(C[N@H+](C)CCCN2CCN(C)CC2)c1[O-] ZINC000289505786 464082446 /nfs/dbraw/zinc/08/24/46/464082446.db2.gz UDNTVTKGCOKNCJ-UHFFFAOYSA-N 0 3 325.884 2.423 10 10 EECEHN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000175225585 464508354 /nfs/dbraw/zinc/50/83/54/464508354.db2.gz RHJVQTCJMRDQRC-LJQANCHMSA-N 0 3 338.455 2.219 10 10 EECEHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282825352 464963999 /nfs/dbraw/zinc/96/39/99/464963999.db2.gz NPXXCPURGOTXMO-KDOFPFPSSA-N 0 3 335.444 2.448 10 10 EECEHN COc1cccc(CN2CCC(C(=O)Nc3nncs3)CC2)c1O ZINC000367702063 466500870 /nfs/dbraw/zinc/50/08/70/466500870.db2.gz LUESGXLSTFDOEB-UHFFFAOYSA-N 0 3 348.428 2.103 10 10 EECEHN O=C(NCc1ccc(N2CCCC2)cc1)N1CCN2CCC[C@@H]2C1 ZINC000171901750 490684389 /nfs/dbraw/zinc/68/43/89/490684389.db2.gz SQCOFQOKPLHHHY-GOSISDBHSA-N 0 3 328.460 2.276 10 10 EECEHN COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000775352233 577435780 /nfs/dbraw/zinc/43/57/80/577435780.db2.gz QMNGBKBVEJHNED-NWDGAFQWSA-N 0 3 336.388 2.077 10 10 EECEHN COc1ccc(CNC/C=C\CNC(=O)C2=CCOCC2)cc1C ZINC001268534773 1183194552 /nfs/dbraw/zinc/19/45/52/1183194552.db2.gz RAKTYYKYTFBRKM-ARJAWSKDSA-N 0 3 330.428 2.112 10 10 EECEHN CCn1cnc(C(=O)NCC2(NCc3ccc(OC)c(C)c3)CC2)c1 ZINC001670890256 1191007920 /nfs/dbraw/zinc/00/79/20/1191007920.db2.gz WIDFXTZUOOTVKE-UHFFFAOYSA-N 0 3 342.443 2.272 10 10 EECEHN COC(=O)[C@@H]1OCC[C@@H]1NCc1cc(OC)cc(C(C)(C)C)c1O ZINC000826957853 1248192136 /nfs/dbraw/zinc/19/21/36/1248192136.db2.gz IXDLGQQTAMHBPF-GOEBONIOSA-N 0 3 337.416 2.118 10 10 EECEHN CCOc1ccc(N2CCN(C[C@@H](OC)[C@@H]3CCOC3)CC2)cc1 ZINC001118496018 1308868450 /nfs/dbraw/zinc/86/84/50/1308868450.db2.gz KVTWHKFJLGIDJL-VQIMIIECSA-N 0 3 334.460 2.259 10 10 EECEHN COc1c([O-])c(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088479 1315472132 /nfs/dbraw/zinc/47/21/32/1315472132.db2.gz XIEPPSKARHPCOC-TZMCWYRMSA-N 0 3 335.404 2.273 10 10 EECEHN Cc1cc([C@H](N)CC(=O)NCCc2ccc(N)cc2)cc(Cl)n1 ZINC000841848011 1315622439 /nfs/dbraw/zinc/62/24/39/1315622439.db2.gz QCZKTZFHHWCLLF-OAHLLOKOSA-N 0 3 332.835 2.374 10 10 EECEHN CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1[O-] ZINC000843378021 1315903990 /nfs/dbraw/zinc/90/39/90/1315903990.db2.gz GKQDAXCSLXWWLX-QGZVFWFLSA-N 0 3 329.375 2.275 10 10 EECEHN CN1CCN(c2ccc(CN3CCO[C@](C)(C(F)F)C3)cc2)CC1 ZINC001328019603 1334379983 /nfs/dbraw/zinc/37/99/83/1334379983.db2.gz PRPLTIJXEHPAIC-SFHVURJKSA-N 0 3 339.430 2.294 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)C=C2CCCCC2)cc1C ZINC001676510915 1357159706 /nfs/dbraw/zinc/15/97/06/1357159706.db2.gz JTVWZDYZOJZKQZ-GOSISDBHSA-N 0 3 346.471 2.461 10 10 EECEHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136692503 787653489 /nfs/dbraw/zinc/65/34/89/787653489.db2.gz AJNHXSPYFNBJFR-HNNXBMFYSA-N 0 3 347.419 2.032 10 10 EECEHN O=C(NCCCSc1nccs1)N1CCN2CCC1CC2 ZINC000806959555 812035046 /nfs/dbraw/zinc/03/50/46/812035046.db2.gz WZHJOEIDPKXZIJ-UHFFFAOYSA-N 0 3 326.491 2.115 10 10 EECEHN COc1ccc(N2CCC(NC(=O)Cc3nc[nH]c3C)CC2)cc1 ZINC001442925334 1097336709 /nfs/dbraw/zinc/33/67/09/1097336709.db2.gz FOMYKCNBDFMESK-UHFFFAOYSA-N 0 3 328.416 2.054 10 10 EECEHN CN(C)CCOc1ccccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000156579746 463043905 /nfs/dbraw/zinc/04/39/05/463043905.db2.gz WISBNPAZLAKGTJ-UHFFFAOYSA-N 0 3 344.411 2.011 10 10 EECEHN CCN(C)c1ccc(CNC(=O)C(C)S(=O)(=O)C(C)C)cc1F ZINC000069633330 463292552 /nfs/dbraw/zinc/29/25/52/463292552.db2.gz SJZJRWJMKHMBQF-LBPRGKRZSA-N 0 3 344.452 2.110 10 10 EECEHN Cc1cc(N2CCC[C@@H](NCc3ccc(N(C)C)cc3)C2=O)n(C)n1 ZINC000080526626 463327796 /nfs/dbraw/zinc/32/77/96/463327796.db2.gz NDUNKHWDFKIQAR-QGZVFWFLSA-N 0 3 341.459 2.080 10 10 EECEHN [O-]c1cc2c(cc1C[N@@H+]1C[C@@H](c3ccsc3)[C@H](CO)C1)OCO2 ZINC000250133154 464927073 /nfs/dbraw/zinc/92/70/73/464927073.db2.gz XMPSCKPOGXFEMI-KBPBESRZSA-N 0 3 333.409 2.390 10 10 EECEHN [O-]c1cc2c(cc1C[N@H+]1C[C@@H](c3ccsc3)[C@H](CO)C1)OCO2 ZINC000250133154 464927076 /nfs/dbraw/zinc/92/70/76/464927076.db2.gz XMPSCKPOGXFEMI-KBPBESRZSA-N 0 3 333.409 2.390 10 10 EECEHN COc1cc(O)c(CNC[C@@H](n2cccn2)C(F)(F)F)cc1OC ZINC000529636672 467889218 /nfs/dbraw/zinc/88/92/18/467889218.db2.gz GNHNYCYONRAENO-CQSZACIVSA-N 0 3 345.321 2.499 10 10 EECEHN O=C(NCCNc1ccncc1)NCc1ccc(N2CCCC2)cc1 ZINC000729594747 576667621 /nfs/dbraw/zinc/66/76/21/576667621.db2.gz VJIIVGPVMRYGMR-UHFFFAOYSA-N 0 3 339.443 2.015 10 10 EECEHN CCN1CCN(c2ccc(CNCc3cnc(C)nc3)cc2F)CC1 ZINC000730108268 576716488 /nfs/dbraw/zinc/71/64/88/576716488.db2.gz KFWFANULSAUSOJ-UHFFFAOYSA-N 0 3 343.450 2.356 10 10 EECEHN CCOCCCN1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266361519 1176405341 /nfs/dbraw/zinc/40/53/41/1176405341.db2.gz NNPWZCSRLRXXDG-OAHLLOKOSA-N 0 3 347.419 2.080 10 10 EECEHN [NH3+][C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1C(F)(F)F ZINC000720921488 1218003066 /nfs/dbraw/zinc/00/30/66/1218003066.db2.gz WVJDJMRUPDULBP-NXEZZACHSA-N 0 3 339.155 2.476 10 10 EECEHN CCN(C(=O)NCCCSc1nccs1)[C@H]1CCN(C)C1 ZINC000853854589 1292490010 /nfs/dbraw/zinc/49/00/10/1292490010.db2.gz BXTRXQWRQWAYSS-LBPRGKRZSA-N 0 3 328.507 2.361 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)C2(C)CCCC2)cc1C ZINC001283784974 1326253764 /nfs/dbraw/zinc/25/37/64/1326253764.db2.gz QUIJYOACTIDYLC-MRXNPFEDSA-N 0 3 334.460 2.151 10 10 EECEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CN(C)CC(F)(F)F ZINC001653476289 1354124986 /nfs/dbraw/zinc/12/49/86/1354124986.db2.gz UILPHKKMUZUQRY-CQSZACIVSA-N 0 3 334.382 2.459 10 10 EECEHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CN(C)CC(F)(F)F ZINC001653476289 1354124989 /nfs/dbraw/zinc/12/49/89/1354124989.db2.gz UILPHKKMUZUQRY-CQSZACIVSA-N 0 3 334.382 2.459 10 10 EECEHN Cc1cc(Br)cc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c1[O-] ZINC000825130360 788449941 /nfs/dbraw/zinc/44/99/41/788449941.db2.gz WKYCVNFCQXANBB-BXUZGUMPSA-N 0 3 344.249 2.435 10 10 EECEHN Cc1cc(Br)cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c1[O-] ZINC000825130360 788449947 /nfs/dbraw/zinc/44/99/47/788449947.db2.gz WKYCVNFCQXANBB-BXUZGUMPSA-N 0 3 344.249 2.435 10 10 EECEHN CCOc1cccc(CN2CCCN(Cc3noc(C)n3)CC2)c1O ZINC000127957519 462597589 /nfs/dbraw/zinc/59/75/89/462597589.db2.gz PQOLBCUEGXPXKF-UHFFFAOYSA-N 0 3 346.431 2.190 10 10 EECEHN COC[C@@](C)(CCO)NCc1ccc(N2CCC(OC)CC2)cc1 ZINC000295658033 464919728 /nfs/dbraw/zinc/91/97/28/464919728.db2.gz ADWFLKOVCCNABV-LJQANCHMSA-N 0 3 336.476 2.179 10 10 EECEHN O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000282940238 465009592 /nfs/dbraw/zinc/00/95/92/465009592.db2.gz IRTZINSRHJQJTF-INIZCTEOSA-N 0 3 326.396 2.162 10 10 EECEHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000572964293 469031284 /nfs/dbraw/zinc/03/12/84/469031284.db2.gz FDYDSZXQCKGTSU-MRXNPFEDSA-N 0 3 343.402 2.360 10 10 EECEHN COc1ccc(N2CCN(C(=O)CC3CCN(C)CC3)CC2)cc1F ZINC000292093386 534004897 /nfs/dbraw/zinc/00/48/97/534004897.db2.gz IUDMTUDYHPONCH-UHFFFAOYSA-N 0 3 349.450 2.215 10 10 EECEHN O=C(CCN1CCc2ccccc2C1)NCCc1ccc(O)c(O)c1 ZINC000771634841 577222881 /nfs/dbraw/zinc/22/28/81/577222881.db2.gz YLMUIKJHRJJRIA-UHFFFAOYSA-N 0 3 340.423 2.205 10 10 EECEHN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000777568029 577481842 /nfs/dbraw/zinc/48/18/42/577481842.db2.gz WGHBSFKTVGCQCX-ZDUSSCGKSA-N 0 3 342.361 2.381 10 10 EECEHN O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000777568029 577481843 /nfs/dbraw/zinc/48/18/43/577481843.db2.gz WGHBSFKTVGCQCX-ZDUSSCGKSA-N 0 3 342.361 2.381 10 10 EECEHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCOCC3)C2=O)c2c1c(F)ccc2[O-] ZINC000756737715 577849662 /nfs/dbraw/zinc/84/96/62/577849662.db2.gz YJYIRSWBZOGXKY-BYCMXARLSA-N 0 3 348.418 2.449 10 10 EECEHN CCCOc1ccc(CN[C@@H]2C(=O)NCC23CCOCC3)cc1C ZINC000895763561 684715216 /nfs/dbraw/zinc/71/52/16/684715216.db2.gz CZBSCUXFGUOYJC-QGZVFWFLSA-N 0 3 332.444 2.169 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3cn(C)nc3C)CC2)cc1C ZINC001269388620 1184227877 /nfs/dbraw/zinc/22/78/77/1184227877.db2.gz SFMXDNDGIVLLTM-UHFFFAOYSA-N 0 3 342.443 2.098 10 10 EECEHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCNC2=O)c1[O-] ZINC000779017083 1208440073 /nfs/dbraw/zinc/44/00/73/1208440073.db2.gz KEBVGOHWKLVJGP-SKDRFNHKSA-N 0 3 327.222 2.392 10 10 EECEHN Cc1cc(C)c(O)c(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000802745940 1238135561 /nfs/dbraw/zinc/13/55/61/1238135561.db2.gz VSZPMUJQZKNRPV-UHFFFAOYSA-N 0 3 338.473 2.009 10 10 EECEHN COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)CC(F)(F)F)c1 ZINC000850519095 1277257846 /nfs/dbraw/zinc/25/78/46/1277257846.db2.gz KWETULBJFJEBLY-SECBINFHSA-N 0 3 341.351 2.029 10 10 EECEHN CC(=O)c1cc(Cl)cc(CN2CCC(c3nc(N)n[nH]3)CC2)c1O ZINC000852056803 1291974832 /nfs/dbraw/zinc/97/48/32/1291974832.db2.gz OVIASYOXQQQWOA-UHFFFAOYSA-N 0 3 349.822 2.328 10 10 EECEHN CN1CCOC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000862508811 1295861741 /nfs/dbraw/zinc/86/17/41/1295861741.db2.gz XWFORKWIQHAXKW-SFHVURJKSA-N 0 3 342.439 2.391 10 10 EECEHN COC(=O)[C@@]1(OC)CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000863295807 1296205995 /nfs/dbraw/zinc/20/59/95/1296205995.db2.gz FBLCIVNFBRJLSB-GOSISDBHSA-N 0 3 337.416 2.159 10 10 EECEHN CCn1nc(C)c([C@@H](C)NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000926854981 1296942078 /nfs/dbraw/zinc/94/20/78/1296942078.db2.gz QNNKEHUWGJPRGV-OAHLLOKOSA-N 0 3 342.491 2.209 10 10 EECEHN COc1c([O-])c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000843043959 1315827231 /nfs/dbraw/zinc/82/72/31/1315827231.db2.gz DUIBYEOZHBQNBB-JSGCOSHPSA-N 0 3 335.404 2.273 10 10 EECEHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136692504 787653596 /nfs/dbraw/zinc/65/35/96/787653596.db2.gz AJNHXSPYFNBJFR-OAHLLOKOSA-N 0 3 347.419 2.032 10 10 EECEHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1[O-] ZINC000846187955 790083135 /nfs/dbraw/zinc/08/31/35/790083135.db2.gz DCVKKJXZUUEGII-ATZCPNFKSA-N 0 3 327.222 2.378 10 10 EECEHN C[C@@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1[O-] ZINC001175419933 798101400 /nfs/dbraw/zinc/10/14/00/798101400.db2.gz ZOKADKFXBDVMNE-GFCCVEGCSA-N 0 3 327.384 2.171 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)[C@H](C)C2CCC2)cc1C ZINC001507207241 1115151796 /nfs/dbraw/zinc/15/17/96/1115151796.db2.gz SZPWIZLKFWGFAO-RHSMWYFYSA-N 0 3 334.460 2.007 10 10 EECEHN CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccccc1[O-] ZINC000271661277 464355889 /nfs/dbraw/zinc/35/58/89/464355889.db2.gz DJZUTLHFMPUADW-HZPDHXFCSA-N 0 3 328.416 2.362 10 10 EECEHN OC[C@]1(NCc2ccc(N3CCOCC3)cc2)CCc2ccccc21 ZINC000305121834 466350139 /nfs/dbraw/zinc/35/01/39/466350139.db2.gz BNGZJAJRSNOOQV-OAQYLSRUSA-N 0 3 338.451 2.447 10 10 EECEHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000291646216 534142403 /nfs/dbraw/zinc/14/24/03/534142403.db2.gz JGLAWMIHUFJNJF-KZULUSFZSA-N 0 3 338.423 2.358 10 10 EECEHN CCn1ccc(C(=O)NCC2(NCc3ccc(OC)c(C)c3)CC2)n1 ZINC001269501886 1184324887 /nfs/dbraw/zinc/32/48/87/1184324887.db2.gz HGZJIDCNUALNRX-UHFFFAOYSA-N 0 3 342.443 2.272 10 10 EECEHN COc1ccc(CNC2(CNC(=O)c3cnn(C)c3C)CC2)cc1C ZINC001483716457 1190807471 /nfs/dbraw/zinc/80/74/71/1190807471.db2.gz WKUVPFUIXIDTIA-UHFFFAOYSA-N 0 3 342.443 2.098 10 10 EECEHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)c1[O-] ZINC000866520235 1201539160 /nfs/dbraw/zinc/53/91/60/1201539160.db2.gz DUDGULUSABZPJQ-MEDUHNTESA-N 0 3 340.807 2.226 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC2(COC2)O1 ZINC000929973195 1206523669 /nfs/dbraw/zinc/52/36/69/1206523669.db2.gz XYRSXFJVHSVSJK-SJORKVTESA-N 0 3 333.428 2.321 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCC2(COC2)O1 ZINC000929973195 1206523671 /nfs/dbraw/zinc/52/36/71/1206523671.db2.gz XYRSXFJVHSVSJK-SJORKVTESA-N 0 3 333.428 2.321 10 10 EECEHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)c1[O-] ZINC000850506002 1277253388 /nfs/dbraw/zinc/25/33/88/1277253388.db2.gz APDKQLXVKWXWGH-WBMJQRKESA-N 0 3 329.824 2.173 10 10 EECEHN CCO[C@@H]1[C@H](C)[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001158716919 1319396982 /nfs/dbraw/zinc/39/69/82/1319396982.db2.gz IPVFHWVAPABUMS-BVPBIZIASA-N 0 3 333.476 2.143 10 10 EECEHN COc1ccc(CN[C@H](CO)CNC(=O)CC2CC(C)(C)C2)cc1C ZINC001283797474 1326261780 /nfs/dbraw/zinc/26/17/80/1326261780.db2.gz OXYBNOLMUJKJMX-KRWDZBQOSA-N 0 3 348.487 2.397 10 10 EECEHN C[C@@H](CN1CCOCC1)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001652842083 1354105858 /nfs/dbraw/zinc/10/58/58/1354105858.db2.gz IIYHWYMTEXRYAE-HKUYNNGSSA-N 0 3 348.487 2.342 10 10 EECEHN C[C@@H](CN1CCOCC1)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001652842083 1354105861 /nfs/dbraw/zinc/10/58/61/1354105861.db2.gz IIYHWYMTEXRYAE-HKUYNNGSSA-N 0 3 348.487 2.342 10 10 EECEHN CCC[C@@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)N(C)C ZINC000161694412 463449882 /nfs/dbraw/zinc/44/98/82/463449882.db2.gz RZHAVWKSLUZIPI-SFHVURJKSA-N 0 3 333.476 2.464 10 10 EECEHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000291646218 534233911 /nfs/dbraw/zinc/23/39/11/534233911.db2.gz JGLAWMIHUFJNJF-SGTLLEGYSA-N 0 3 338.423 2.358 10 10 EECEHN CC[S@@](=O)CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000765955465 577510029 /nfs/dbraw/zinc/51/00/29/577510029.db2.gz VVGCRTGRRDPMSA-MCMMXHMISA-N 0 3 328.453 2.082 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2ccnnc2C)cc1C ZINC001268562543 1183261816 /nfs/dbraw/zinc/26/18/16/1183261816.db2.gz ISNCGZAZRZLVPB-SNAWJCMRSA-N 0 3 340.427 2.178 10 10 EECEHN COc1cc(C(=O)NC/C=C/CNCc2ccc(OC)c(C)c2)on1 ZINC001483001780 1187982917 /nfs/dbraw/zinc/98/29/17/1187982917.db2.gz XKQVSENKAAFDFV-SNAWJCMRSA-N 0 3 345.399 2.076 10 10 EECEHN CCN1CCCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000854300470 1292711503 /nfs/dbraw/zinc/71/15/03/1292711503.db2.gz UEUIYVZQUBVTLE-INIZCTEOSA-N 0 3 346.475 2.011 10 10 EECEHN [O-]c1ccccc1C[N@H+](C[C@H](O)CC1(O)CCC1)C[C@H]1CCCO1 ZINC000859190071 1294343796 /nfs/dbraw/zinc/34/37/96/1294343796.db2.gz FDQZXEZBFSWHPG-IAGOWNOFSA-N 0 3 335.444 2.039 10 10 EECEHN [O-]c1ccccc1C[N@@H+](C[C@H](O)CC1(O)CCC1)C[C@H]1CCCO1 ZINC000859190071 1294343804 /nfs/dbraw/zinc/34/38/04/1294343804.db2.gz FDQZXEZBFSWHPG-IAGOWNOFSA-N 0 3 335.444 2.039 10 10 EECEHN CCON(CC)C(=O)CNCc1cc(Br)cc(C)c1O ZINC000862453418 1295851909 /nfs/dbraw/zinc/85/19/09/1295851909.db2.gz VHSLPWTYFOABOH-UHFFFAOYSA-N 0 3 345.237 2.353 10 10 EECEHN CCON(CC)C(=O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000862453418 1295851926 /nfs/dbraw/zinc/85/19/26/1295851926.db2.gz VHSLPWTYFOABOH-UHFFFAOYSA-N 0 3 345.237 2.353 10 10 EECEHN CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000862552300 1295879736 /nfs/dbraw/zinc/87/97/36/1295879736.db2.gz VRGMGJIQJDVLCY-GFCCVEGCSA-N 0 3 346.880 2.115 10 10 EECEHN CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000862552300 1295879749 /nfs/dbraw/zinc/87/97/49/1295879749.db2.gz VRGMGJIQJDVLCY-GFCCVEGCSA-N 0 3 346.880 2.115 10 10 EECEHN CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000862552300 1295879760 /nfs/dbraw/zinc/87/97/60/1295879760.db2.gz VRGMGJIQJDVLCY-GFCCVEGCSA-N 0 3 346.880 2.115 10 10 EECEHN O[C@H]([C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1)C(F)(F)F ZINC000825124202 788447448 /nfs/dbraw/zinc/44/74/48/788447448.db2.gz JZWQHUWYDCJDJE-GDBMZVCRSA-N 0 3 344.377 2.268 10 10 EECEHN CC[NH+]1CCC(n2nccc2NC(=O)c2cccc(O)c2[O-])CC1 ZINC001464802866 1110403824 /nfs/dbraw/zinc/40/38/24/1110403824.db2.gz CLRGMPBTLUNXHZ-UHFFFAOYSA-N 0 3 330.388 2.203 10 10 EECEHN COc1ccc(CN[C@@H](CO)CNC(=O)c2sccc2C)cc1C ZINC001507170848 1115145325 /nfs/dbraw/zinc/14/53/25/1115145325.db2.gz QXXTZFUCKDSMEC-OAHLLOKOSA-N 0 3 348.468 2.254 10 10 EECEHN COc1ccc(CNC/C=C/CNC(=O)c2cn(C)nc2C)cc1C ZINC001568829666 1124846985 /nfs/dbraw/zinc/84/69/85/1124846985.db2.gz YSJQPZYXTLMKPO-AATRIKPKSA-N 0 3 342.443 2.121 10 10 EECEHN CC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@]2(CCOC2)O1 ZINC000376020323 529396939 /nfs/dbraw/zinc/39/69/39/529396939.db2.gz FRJNLGYTKJICOB-UXHICEINSA-N 0 3 346.471 2.293 10 10 EECEHN Cc1cccc(CNCc2cnc(N3CCOCC3)c(F)c2)c1O ZINC000184947978 463723661 /nfs/dbraw/zinc/72/36/61/463723661.db2.gz SQGTVKJUWRBAIB-UHFFFAOYSA-N 0 3 331.391 2.361 10 10 EECEHN C[C@@]1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)COc2ccccc2O1 ZINC000527734516 467664524 /nfs/dbraw/zinc/66/45/24/467664524.db2.gz KBPTWZVYLIOSRI-GOSISDBHSA-N 0 3 329.352 2.441 10 10 EECEHN COC(=O)/C=C\c1ccc(N(C)[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000733190547 577212235 /nfs/dbraw/zinc/21/22/35/577212235.db2.gz GVFCMZSFZNVYKM-UFRMUOTOSA-N 0 3 345.399 2.454 10 10 EECEHN CCOC(=O)CCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768463839 577556465 /nfs/dbraw/zinc/55/64/65/577556465.db2.gz XWKJOXGFZQMVER-QGZVFWFLSA-N 0 3 349.427 2.373 10 10 EECEHN CCOCCCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266361518 1176405369 /nfs/dbraw/zinc/40/53/69/1176405369.db2.gz NNPWZCSRLRXXDG-HNNXBMFYSA-N 0 3 347.419 2.080 10 10 EECEHN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccccc1[O-] ZINC000866492098 1201530085 /nfs/dbraw/zinc/53/00/85/1201530085.db2.gz DITXOLRVKIIOHJ-BJJXKVORSA-N 0 3 336.432 2.413 10 10 EECEHN CCCN1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855228974 1293120991 /nfs/dbraw/zinc/12/09/91/1293120991.db2.gz GTOLMMVBGJHUJL-MAUKXSAKSA-N 0 3 331.460 2.265 10 10 EECEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1[O-] ZINC000858494571 1294133646 /nfs/dbraw/zinc/13/36/46/1294133646.db2.gz KXQMXNQHMINELD-NRPADANISA-N 0 3 343.221 2.078 10 10 EECEHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2COCCN2C)c1[O-] ZINC000858523391 1294143022 /nfs/dbraw/zinc/14/30/22/1294143022.db2.gz QWGHVNOZUDMBMO-DGCLKSJQSA-N 0 3 343.265 2.444 10 10 EECEHN CN1CCN(c2ccc(CN3CCO[C@@H](C4CCC4)C3)cc2)CC1 ZINC000840953834 1315444608 /nfs/dbraw/zinc/44/46/08/1315444608.db2.gz BDFPBGDZFACGQT-HXUWFJFHSA-N 0 3 329.488 2.439 10 10 EECEHN CNc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nc1 ZINC001304767385 1331394962 /nfs/dbraw/zinc/39/49/62/1331394962.db2.gz FQWAZPZYVXTRFX-GOSISDBHSA-N 0 3 341.459 2.222 10 10 EECEHN Cc1cc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]n1 ZINC001558723021 1342486954 /nfs/dbraw/zinc/48/69/54/1342486954.db2.gz FNTDMNBSMVQWPC-GOSISDBHSA-N 0 3 343.475 2.136 10 10 EECEHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccnc(F)c2)N(C)C)cc1 ZINC001653421875 1354123011 /nfs/dbraw/zinc/12/30/11/1354123011.db2.gz UTYBLHGRPXTILK-QGZVFWFLSA-N 0 3 344.434 2.248 10 10 EECEHN