smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Br)c(O)c(CN2CCN([C@@H]3CCOC3)CC2)c1 ZINC000827120488 675731264 /nfs/dbraw/zinc/73/12/64/675731264.db2.gz TYNYQQZESUWPCJ-CQSZACIVSA-N 0 3 355.276 2.370 20 10 FECDHN Cc1nsc(N2CCCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000093716843 542939508 /nfs/dbraw/zinc/93/95/08/542939508.db2.gz XPPBXWIZQXJJNV-UHFFFAOYSA-N 0 3 373.526 2.395 20 10 FECDHN CN(CC1CCN(C)CC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000103513744 543113602 /nfs/dbraw/zinc/11/36/02/543113602.db2.gz AJAYNUUPGSCZGY-UHFFFAOYSA-N 0 3 360.502 2.006 20 10 FECDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000104855483 543147608 /nfs/dbraw/zinc/14/76/08/543147608.db2.gz MDCXTDRENOMADX-LJQANCHMSA-N 0 3 363.477 2.277 20 10 FECDHN C[C@H](NCCN1CCOC(C)(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178765997 546846978 /nfs/dbraw/zinc/84/69/78/546846978.db2.gz HOQYGARFZUOOAU-INIZCTEOSA-N 0 3 365.493 2.424 20 10 FECDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000185589197 548006583 /nfs/dbraw/zinc/00/65/83/548006583.db2.gz SNDYZRYIKSRNTP-SFHVURJKSA-N 0 3 373.545 2.112 20 10 FECDHN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186054657 548078960 /nfs/dbraw/zinc/07/89/60/548078960.db2.gz IRFCWFQVMVEIJK-UGSOOPFHSA-N 0 3 354.454 2.461 20 10 FECDHN CC[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)N(C)C ZINC000268865092 550124984 /nfs/dbraw/zinc/12/49/84/550124984.db2.gz ZWPYGKGRVCTTRC-CKEIUWERSA-N 0 3 351.466 2.396 20 10 FECDHN CCCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c([O-])c1 ZINC000271989451 550414586 /nfs/dbraw/zinc/41/45/86/550414586.db2.gz KZCBYROVYQHRAP-CRAIPNDOSA-N 0 3 369.483 2.007 20 10 FECDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273585282 550504373 /nfs/dbraw/zinc/50/43/73/550504373.db2.gz NSOZJSHHMIXVSJ-HOTGVXAUSA-N 0 3 363.502 2.103 20 10 FECDHN COC(=O)C[C@@](C)(NCc1cc(OC)c(OC)cc1O)c1ccncc1 ZINC000276472014 550578692 /nfs/dbraw/zinc/57/86/92/550578692.db2.gz MYNIHKVWNBESMO-LJQANCHMSA-N 0 3 360.410 2.373 20 10 FECDHN CCCOc1ccc(C[N@@H+]2C[C@@H](CO)C[C@H](OCCOC)C2)c([O-])c1 ZINC000278748037 550817841 /nfs/dbraw/zinc/81/78/41/550817841.db2.gz RTKHSRJYAMFCKF-YJBOKZPZSA-N 0 3 353.459 2.027 20 10 FECDHN CCCOc1ccc(C[N@H+]2C[C@@H](CO)C[C@H](OCCOC)C2)c([O-])c1 ZINC000278748037 550817843 /nfs/dbraw/zinc/81/78/43/550817843.db2.gz RTKHSRJYAMFCKF-YJBOKZPZSA-N 0 3 353.459 2.027 20 10 FECDHN CCCCN(CC(=O)N1CCC[C@H](NC(C)=O)C1)Cc1ccccc1O ZINC000282547454 551245114 /nfs/dbraw/zinc/24/51/14/551245114.db2.gz WSDLUFXHFKSNEH-SFHVURJKSA-N 0 3 361.486 2.121 20 10 FECDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000283660775 551405007 /nfs/dbraw/zinc/40/50/07/551405007.db2.gz DGQIDFUMELHJAE-MRXNPFEDSA-N 0 3 361.486 2.121 20 10 FECDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000283660772 551405033 /nfs/dbraw/zinc/40/50/33/551405033.db2.gz DGQIDFUMELHJAE-INIZCTEOSA-N 0 3 361.486 2.121 20 10 FECDHN C[C@@H](CN(C)C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000287036417 551954838 /nfs/dbraw/zinc/95/48/38/551954838.db2.gz GAOXPYLCCDICNP-RRFJBIMHSA-N 0 3 366.481 2.189 20 10 FECDHN CN(C)c1ccc(CN(C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1F ZINC000295123990 552961221 /nfs/dbraw/zinc/96/12/21/552961221.db2.gz NRUJYRIFSUKXMI-AWEZNQCLSA-N 0 3 355.454 2.209 20 10 FECDHN COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1[O-] ZINC000296604688 553186399 /nfs/dbraw/zinc/18/63/99/553186399.db2.gz RQCGZEJHEVEARB-CQSZACIVSA-N 0 3 352.431 2.126 20 10 FECDHN O=C(NC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1)c1ccc[nH]1 ZINC000362390564 554968949 /nfs/dbraw/zinc/96/89/49/554968949.db2.gz UNTCASWEDJKASS-UHFFFAOYSA-N 0 3 368.481 2.246 20 10 FECDHN C[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(N2CCOCC2)cc1 ZINC000363836981 555196317 /nfs/dbraw/zinc/19/63/17/555196317.db2.gz ZEXUOLHBOQLXTD-UZLBHIALSA-N 0 3 370.497 2.440 20 10 FECDHN O=C1NC(=O)[C@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])CC[C@@H]12 ZINC000366481795 555856827 /nfs/dbraw/zinc/85/68/27/555856827.db2.gz LMPZNRNGSPVOHA-MSOLQXFVSA-N 0 3 366.417 2.066 20 10 FECDHN O=C1NC(=O)[C@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])CC[C@@H]12 ZINC000366481795 555856829 /nfs/dbraw/zinc/85/68/29/555856829.db2.gz LMPZNRNGSPVOHA-MSOLQXFVSA-N 0 3 366.417 2.066 20 10 FECDHN C[C@@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000367698579 556117485 /nfs/dbraw/zinc/11/74/85/556117485.db2.gz QAPCQDKVJYELOE-GDBMZVCRSA-N 0 3 351.516 2.360 20 10 FECDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCCN(Cc3noc(C4CC4)n3)C1)OCO2 ZINC000369267049 556555647 /nfs/dbraw/zinc/55/56/47/556555647.db2.gz CGKXZTYGSOWACJ-AWEZNQCLSA-N 0 3 372.425 2.136 20 10 FECDHN CN(C)c1ccc(CN2CCC(CC(=O)N3CCOCC3)CC2)cc1F ZINC000372412886 557464598 /nfs/dbraw/zinc/46/45/98/557464598.db2.gz AZZUQOIJFXWWNH-UHFFFAOYSA-N 0 3 363.477 2.353 20 10 FECDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)cc1C ZINC000378193508 558499734 /nfs/dbraw/zinc/49/97/34/558499734.db2.gz SRRAUZGJOHXZLK-INIZCTEOSA-N 0 3 366.469 2.453 20 10 FECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c1[O-] ZINC000808694922 674468875 /nfs/dbraw/zinc/46/88/75/674468875.db2.gz CHJNURWWWOANFT-WBVHZDCISA-N 0 3 367.921 2.411 20 10 FECDHN COc1cc(Br)cc(CN(C)[C@@H](CO)COC(C)C)c1O ZINC000809768443 674509091 /nfs/dbraw/zinc/50/90/91/674509091.db2.gz LDBITENTLKKRFG-ZDUSSCGKSA-N 0 3 362.264 2.381 20 10 FECDHN CNC(=O)[C@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093360566 670752361 /nfs/dbraw/zinc/75/23/61/670752361.db2.gz RQLUWUPARQCEJN-JTQLQIEISA-N 0 3 357.248 2.121 20 10 FECDHN CCc1cc(CN2CC[C@@H](S(=O)(=O)NC)C2)c(O)c(C(C)(C)C)c1 ZINC000138333946 672144019 /nfs/dbraw/zinc/14/40/19/672144019.db2.gz CHUYDYDEVMNFDZ-OAHLLOKOSA-N 0 3 354.516 2.376 20 10 FECDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCCN2CCO)c1[O-] ZINC000824583760 675612148 /nfs/dbraw/zinc/61/21/48/675612148.db2.gz QBGHQFFKKSKPEK-OAHLLOKOSA-N 0 3 357.292 2.400 20 10 FECDHN COc1cc(Br)cc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827141604 675733416 /nfs/dbraw/zinc/73/34/16/675733416.db2.gz VCRANLKBZGMELJ-GXFFZTMASA-N 0 3 369.259 2.264 20 10 FECDHN Cc1cc([O-])c(C[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c(Cl)c1 ZINC000840888886 680849439 /nfs/dbraw/zinc/84/94/39/680849439.db2.gz DMODURALJZFUJJ-INIZCTEOSA-N 0 3 353.894 2.386 20 10 FECDHN Cc1cc(N(C)C)ccc1CN1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000840945386 680855648 /nfs/dbraw/zinc/85/56/48/680855648.db2.gz MBHGNHQSMYNNGT-MRXNPFEDSA-N 0 3 365.543 2.355 20 10 FECDHN COc1cc(Br)cc(CN2C[C@H](C)N(CCO)C[C@H]2C)c1O ZINC000841892035 680916710 /nfs/dbraw/zinc/91/67/10/680916710.db2.gz SAFFZOWGEXJDAH-NWDGAFQWSA-N 0 3 373.291 2.050 20 10 FECDHN CN(C)c1ccc([C@H]([NH3+])C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000842784457 680966128 /nfs/dbraw/zinc/96/61/28/680966128.db2.gz JXTKFDAGNSVIBG-OAHLLOKOSA-N 0 3 373.400 2.148 20 10 FECDHN CCOc1ccc(CN2CCC(N(C)S(=O)(=O)CC)CC2)c(O)c1 ZINC000769388459 680980467 /nfs/dbraw/zinc/98/04/67/680980467.db2.gz AFSVAFULQVGNSR-UHFFFAOYSA-N 0 3 356.488 2.037 20 10 FECDHN CCN(C)c1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000773731591 681153788 /nfs/dbraw/zinc/15/37/88/681153788.db2.gz VWEYLCUCQWOXRU-SFHVURJKSA-N 0 3 353.532 2.437 20 10 FECDHN CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000776810555 681438411 /nfs/dbraw/zinc/43/84/11/681438411.db2.gz ZKNANAMKRCOSCA-QWHCGFSZSA-N 0 3 350.415 2.468 20 10 FECDHN COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000777219277 681473237 /nfs/dbraw/zinc/47/32/37/681473237.db2.gz IVMXEHMEYXAFEW-LSDHHAIUSA-N 0 3 374.275 2.373 20 10 FECDHN COCCN1CC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000784547115 682236762 /nfs/dbraw/zinc/23/67/62/682236762.db2.gz ZUUDRENVEOEFLU-ROUUACIJSA-N 0 3 367.921 2.320 20 10 FECDHN CN(C)c1ccc(CNCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000797879144 683285145 /nfs/dbraw/zinc/28/51/45/683285145.db2.gz HVMXPEDRKNRMQI-UHFFFAOYSA-N 0 3 365.474 2.302 20 10 FECDHN CNS(=O)(=O)C[C@H]1CCCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000862552307 683600820 /nfs/dbraw/zinc/60/08/20/683600820.db2.gz VVBALRLWGUWDRP-AATOQMJSSA-N 0 3 351.516 2.027 20 10 FECDHN Cc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c([O-])c1 ZINC000877029302 686313885 /nfs/dbraw/zinc/31/38/85/686313885.db2.gz YVFRQXYMBHMNNU-UHFFFAOYSA-N 0 3 366.405 2.352 20 10 FECDHN O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877799002 686465956 /nfs/dbraw/zinc/46/59/56/686465956.db2.gz HDTBQDHWTUVPAG-XOKHGSTOSA-N 0 3 350.434 2.163 20 10 FECDHN O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877799002 686465958 /nfs/dbraw/zinc/46/59/58/686465958.db2.gz HDTBQDHWTUVPAG-XOKHGSTOSA-N 0 3 350.434 2.163 20 10 FECDHN COc1cc(N2CCN(C[C@H]3C[C@@H](OC)C3)CC2)cc(OC)c1OC ZINC000878430562 686583910 /nfs/dbraw/zinc/58/39/10/686583910.db2.gz KNCWYNRDACHGOT-FZNQNYSPSA-N 0 3 350.459 2.259 20 10 FECDHN CO[C@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(F)(F)F ZINC000891245399 689039587 /nfs/dbraw/zinc/03/95/87/689039587.db2.gz DGSAWONNORTCFK-LSDHHAIUSA-N 0 3 361.408 2.439 20 10 FECDHN C[C@H](O)c1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891248905 689040159 /nfs/dbraw/zinc/04/01/59/689040159.db2.gz OLCZGEMEKOCOJF-SWLSCSKDSA-N 0 3 362.499 2.295 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)NCCc2nccs2)N(C)C)cc1 ZINC000892516500 689207225 /nfs/dbraw/zinc/20/72/25/689207225.db2.gz CATIFYOXQDIGAP-MRXNPFEDSA-N 0 3 361.515 2.354 20 10 FECDHN COC(=O)[C@@H]1[C@H](CNCc2ccc(N3CCSCC3)cc2)C1(F)F ZINC000894191961 689483628 /nfs/dbraw/zinc/48/36/28/689483628.db2.gz SYKIMPYQHOJNCO-GJZGRUSLSA-N 0 3 356.438 2.384 20 10 FECDHN COc1cccc([O-])c1C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000898398429 690175546 /nfs/dbraw/zinc/17/55/46/690175546.db2.gz FRWFFHUFBLMTOF-XMMPIXPASA-N 0 3 355.504 2.187 20 10 FECDHN CN(C)c1ccc(CN2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1 ZINC000092759221 542884531 /nfs/dbraw/zinc/88/45/31/542884531.db2.gz ZHVCQOXPIJJUMR-UHFFFAOYSA-N 0 3 355.486 2.128 20 10 FECDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@@H](O)CN1CCOCC1 ZINC000093583342 542935231 /nfs/dbraw/zinc/93/52/31/542935231.db2.gz PZDOBAUZRJCJOB-HXUWFJFHSA-N 0 3 356.466 2.184 20 10 FECDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@@H](O)CN1CCOCC1 ZINC000093583342 542935233 /nfs/dbraw/zinc/93/52/33/542935233.db2.gz PZDOBAUZRJCJOB-HXUWFJFHSA-N 0 3 356.466 2.184 20 10 FECDHN O=C(CN1C[C@H]2CCC[C@@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000152974393 544719155 /nfs/dbraw/zinc/71/91/55/544719155.db2.gz ONDXGOKWONEFGI-IAGOWNOFSA-N 0 3 361.461 2.010 20 10 FECDHN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCN(C2CC2)C1 ZINC000805183096 674324748 /nfs/dbraw/zinc/32/47/48/674324748.db2.gz CBCGVEIPWGYEIY-LBPRGKRZSA-N 0 3 354.248 2.191 20 10 FECDHN Cc1cccc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)c1[O-] ZINC000182682374 547533580 /nfs/dbraw/zinc/53/35/80/547533580.db2.gz VJYKVKWDVVPMIW-UHFFFAOYSA-N 0 3 350.440 2.241 20 10 FECDHN C[C@H](CS(C)(=O)=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000183045840 547591415 /nfs/dbraw/zinc/59/14/15/547591415.db2.gz AHBZCQITCYTDRW-OLZOCXBDSA-N 0 3 362.442 2.280 20 10 FECDHN CCOc1cccc(CNCc2cnc(N3CCOCC3)c(F)c2)c1O ZINC000185077655 547928255 /nfs/dbraw/zinc/92/82/55/547928255.db2.gz SLCUSYHDCOEBQO-UHFFFAOYSA-N 0 3 361.417 2.451 20 10 FECDHN CCOC1CC(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])(N2CCOCC2)C1 ZINC000193407621 548386316 /nfs/dbraw/zinc/38/63/16/548386316.db2.gz HKIQXPOYCYJFQQ-XRTORIHISA-N 0 3 364.486 2.321 20 10 FECDHN NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000264639050 549999016 /nfs/dbraw/zinc/99/90/16/549999016.db2.gz VKRCOXFBJQUYDU-IBGZPJMESA-N 0 3 353.466 2.489 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)c([O-])c1 ZINC000271181680 550349568 /nfs/dbraw/zinc/34/95/68/550349568.db2.gz HTUUYHCBRUGCDZ-CYBMUJFWSA-N 0 3 358.442 2.383 20 10 FECDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)c([O-])c1 ZINC000271181680 550349570 /nfs/dbraw/zinc/34/95/70/550349570.db2.gz HTUUYHCBRUGCDZ-CYBMUJFWSA-N 0 3 358.442 2.383 20 10 FECDHN CCN1CCN(CCCC[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273409078 550497647 /nfs/dbraw/zinc/49/76/47/550497647.db2.gz PFPLULIJALOLHU-MRXNPFEDSA-N 0 3 363.502 2.247 20 10 FECDHN COCCN(C)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000276972990 550617183 /nfs/dbraw/zinc/61/71/83/550617183.db2.gz QFUKGJKBPABZLX-UHFFFAOYSA-N 0 3 370.497 2.291 20 10 FECDHN C[C@H]1CN(CCCNC(=O)NCc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000277360564 550660729 /nfs/dbraw/zinc/66/07/29/550660729.db2.gz IICUNUFGAMVETI-HNNXBMFYSA-N 0 3 366.481 2.192 20 10 FECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c1 ZINC000284409348 551542984 /nfs/dbraw/zinc/54/29/84/551542984.db2.gz BUNMZROZELCQMG-OXQOHEQNSA-N 0 3 354.454 2.418 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000285710003 551799234 /nfs/dbraw/zinc/79/92/34/551799234.db2.gz PMALQIPJMRPYPZ-HNSVSWJLSA-N 0 3 361.486 2.135 20 10 FECDHN COc1cc([O-])c(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)cc1OC ZINC000289186406 552279525 /nfs/dbraw/zinc/27/95/25/552279525.db2.gz APQZOMVLKLMZHT-UHFFFAOYSA-N 0 3 370.405 2.185 20 10 FECDHN C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000290100371 552427476 /nfs/dbraw/zinc/42/74/76/552427476.db2.gz HPVNKRSGZCHZMH-KBXCAEBGSA-N 0 3 361.463 2.494 20 10 FECDHN COC1CCN(c2ccc(CN(C)[C@@H](C)CN3CCOCC3)cc2)CC1 ZINC000296102334 553104889 /nfs/dbraw/zinc/10/48/89/553104889.db2.gz UQDDIWZVYWLNHZ-SFHVURJKSA-N 0 3 361.530 2.454 20 10 FECDHN COc1ccc(N2CCN(CCCN[C@@H]3CCn4ccnc43)CC2)cc1 ZINC000296158394 553114527 /nfs/dbraw/zinc/11/45/27/553114527.db2.gz XCHHPGWOSDIHCQ-LJQANCHMSA-N 0 3 355.486 2.138 20 10 FECDHN Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCc3cccc([O-])c32)s1 ZINC000296826658 553216912 /nfs/dbraw/zinc/21/69/12/553216912.db2.gz MLADWOGIFSWWFN-CYBMUJFWSA-N 0 3 352.481 2.318 20 10 FECDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000298554461 553439729 /nfs/dbraw/zinc/43/97/29/553439729.db2.gz CRNKDNKPOQVVBZ-OAQYLSRUSA-N 0 3 373.497 2.075 20 10 FECDHN COCCN1CCC(NC(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)CC1 ZINC000363891346 555208027 /nfs/dbraw/zinc/20/80/27/555208027.db2.gz UCEVGHRVUPPUIS-UHFFFAOYSA-N 0 3 372.513 2.272 20 10 FECDHN CCN(CC)c1ccc(CN2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1 ZINC000363935952 555217365 /nfs/dbraw/zinc/21/73/65/555217365.db2.gz XTMGCPCKSSRCJV-QGZVFWFLSA-N 0 3 357.458 2.358 20 10 FECDHN COc1cc(O)c(CN2CCC(NC(=O)c3ccoc3)CC2)cc1OC ZINC000371395189 557172355 /nfs/dbraw/zinc/17/23/55/557172355.db2.gz DOSWWHNAGUTOSW-UHFFFAOYSA-N 0 3 360.410 2.397 20 10 FECDHN COc1cccc(N2C[C@@H](NCc3cc(OC)c(OC)cc3O)CC2=O)c1 ZINC000371509757 557204795 /nfs/dbraw/zinc/20/47/95/557204795.db2.gz QQALPGQWONCLGO-AWEZNQCLSA-N 0 3 372.421 2.313 20 10 FECDHN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(N2CCC(O)CC2)cc1 ZINC000374516378 557893654 /nfs/dbraw/zinc/89/36/54/557893654.db2.gz XHGSIMVHARUJAA-BEVDRBHNSA-N 0 3 357.498 2.452 20 10 FECDHN CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1cc(F)ccc1[O-])CC2 ZINC000375557514 558048127 /nfs/dbraw/zinc/04/81/27/558048127.db2.gz LVOZWQQZNAZXQX-CYBMUJFWSA-N 0 3 360.433 2.218 20 10 FECDHN O=C(NC[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1)c1ccco1 ZINC000375693029 558068534 /nfs/dbraw/zinc/06/85/34/558068534.db2.gz NVUILEBIOIVLGE-CYBMUJFWSA-N 0 3 358.394 2.356 20 10 FECDHN O=C1CO[C@@H]2CCN(Cc3ccc(OCc4ccccc4)cc3O)C[C@@H]2N1 ZINC000377228052 558293406 /nfs/dbraw/zinc/29/34/06/558293406.db2.gz YYVGLCLXIFGVLP-AZUAARDMSA-N 0 3 368.433 2.061 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2ncccn2)c1 ZINC000377714417 558403867 /nfs/dbraw/zinc/40/38/67/558403867.db2.gz AKXHODAYWFAUAZ-KKUMJFAQSA-N 0 3 360.433 2.454 20 10 FECDHN CC[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213807 674537337 /nfs/dbraw/zinc/53/73/37/674537337.db2.gz HXFGDNLDQCEYSV-CQSZACIVSA-N 0 3 359.392 2.226 20 10 FECDHN COc1cccc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000119481518 671900593 /nfs/dbraw/zinc/90/05/93/671900593.db2.gz HFIDTGCRNYNGRV-LBPRGKRZSA-N 0 3 350.440 2.241 20 10 FECDHN CCc1cc(CN2CC[C@H](S(=O)(=O)NC)C2)c(O)c(C(C)(C)C)c1 ZINC000138333829 672143958 /nfs/dbraw/zinc/14/39/58/672143958.db2.gz CHUYDYDEVMNFDZ-HNNXBMFYSA-N 0 3 354.516 2.376 20 10 FECDHN COc1ccc(N2CCN(C(=O)CN(C)[C@@H](C)CCSC)CC2)cc1 ZINC000172432669 672341864 /nfs/dbraw/zinc/34/18/64/672341864.db2.gz GOQYZGYJCZKKOO-INIZCTEOSA-N 0 3 365.543 2.417 20 10 FECDHN COc1ccc(N2CCC(NC(=S)NC3CCN(C)CC3)CC2)cc1 ZINC000726495312 673127375 /nfs/dbraw/zinc/12/73/75/673127375.db2.gz YQQHXLWBEHXYHW-UHFFFAOYSA-N 0 3 362.543 2.222 20 10 FECDHN O=S1(=O)CCC(O)(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000741263362 673678220 /nfs/dbraw/zinc/67/82/20/673678220.db2.gz YUKQCCWSBMTVJE-UHFFFAOYSA-N 0 3 361.463 2.089 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC(N3CCOC[C@@H]3C)CC2)c1O ZINC000821278505 675424418 /nfs/dbraw/zinc/42/44/18/675424418.db2.gz BQDNFLBNDCCYKA-ZDUSSCGKSA-N 0 3 350.434 2.419 20 10 FECDHN [O-]c1cc(Br)ccc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000824530368 675608779 /nfs/dbraw/zinc/60/87/79/675608779.db2.gz ZCACGTPMICRFRM-UHFFFAOYSA-N 0 3 368.319 2.368 20 10 FECDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCCSc1nccs1 ZINC000829528640 675881842 /nfs/dbraw/zinc/88/18/42/675881842.db2.gz UXTGMMUJMHZBPN-HWWQOWPSSA-N 0 3 355.529 2.274 20 10 FECDHN COc1cc(Cl)cc(CN[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000761206696 680714985 /nfs/dbraw/zinc/71/49/85/680714985.db2.gz NTPJFDKCRKNNJB-HZMBPMFUSA-N 0 3 364.833 2.071 20 10 FECDHN COCCNC(=O)C1(N[C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000840822785 680844725 /nfs/dbraw/zinc/84/47/25/680844725.db2.gz QRUXPICCXYWARP-LLVKDONJSA-N 0 3 371.275 2.409 20 10 FECDHN COCCNC(=O)C1([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000840822785 680844727 /nfs/dbraw/zinc/84/47/27/680844727.db2.gz QRUXPICCXYWARP-LLVKDONJSA-N 0 3 371.275 2.409 20 10 FECDHN C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000834891170 680280832 /nfs/dbraw/zinc/28/08/32/680280832.db2.gz QTTGJNUAJKNSBQ-SMDDNHRTSA-N 0 3 357.447 2.263 20 10 FECDHN CCS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756399404 680476229 /nfs/dbraw/zinc/47/62/29/680476229.db2.gz NZKHXAGUMIACSM-SMDDNHRTSA-N 0 3 356.463 2.483 20 10 FECDHN C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756450955 680479831 /nfs/dbraw/zinc/47/98/31/680479831.db2.gz WPVKQDATQSNYRL-ZYHUDNBSSA-N 0 3 361.255 2.401 20 10 FECDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2cc(F)ccc2O)cc1 ZINC000757955965 680545648 /nfs/dbraw/zinc/54/56/48/680545648.db2.gz HLNSWHAQSZZAIZ-UHFFFAOYSA-N 0 3 354.359 2.003 20 10 FECDHN O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000757955965 680545652 /nfs/dbraw/zinc/54/56/52/680545652.db2.gz HLNSWHAQSZZAIZ-UHFFFAOYSA-N 0 3 354.359 2.003 20 10 FECDHN [O-]c1c(Br)cccc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000768192039 680940049 /nfs/dbraw/zinc/94/00/49/680940049.db2.gz MTOGTOUZTPGYJZ-CQSZACIVSA-N 0 3 355.276 2.451 20 10 FECDHN CN(CCN(C)C(=O)OC(C)(C)C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768459966 680947672 /nfs/dbraw/zinc/94/76/72/680947672.db2.gz IPSINAJCURFOMV-OAHLLOKOSA-N 0 3 352.431 2.117 20 10 FECDHN CN(CC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C(=O)OC(C)(C)C ZINC000768459966 680947673 /nfs/dbraw/zinc/94/76/73/680947673.db2.gz IPSINAJCURFOMV-OAHLLOKOSA-N 0 3 352.431 2.117 20 10 FECDHN CN(CC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)C(=O)OC(C)(C)C ZINC000768459966 680947674 /nfs/dbraw/zinc/94/76/74/680947674.db2.gz IPSINAJCURFOMV-OAHLLOKOSA-N 0 3 352.431 2.117 20 10 FECDHN Oc1ccc(Br)cc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000769327006 680978470 /nfs/dbraw/zinc/97/84/70/680978470.db2.gz JMXYCFXCKNXKGG-ZBFHGGJFSA-N 0 3 355.276 2.186 20 10 FECDHN C[C@@H](NCCN1CCCC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000846209906 681201698 /nfs/dbraw/zinc/20/16/98/681201698.db2.gz TZGGRVBQVXVFAR-CQSZACIVSA-N 0 3 351.878 2.450 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCn2cncn2)c1[O-] ZINC000848540638 681575115 /nfs/dbraw/zinc/57/51/15/681575115.db2.gz IVJQYIJCNCDASB-JTQLQIEISA-N 0 3 355.236 2.496 20 10 FECDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCS(=O)(=O)C2)ccc1N1CCCCC1 ZINC000913173161 685473609 /nfs/dbraw/zinc/47/36/09/685473609.db2.gz SEMYOXSAJAOVKG-HNNXBMFYSA-N 0 3 367.471 2.109 20 10 FECDHN COc1cc(Br)cc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1O ZINC000793590696 682897399 /nfs/dbraw/zinc/89/73/99/682897399.db2.gz ODFSARBCVRTRMR-NWDGAFQWSA-N 0 3 373.291 2.050 20 10 FECDHN C[C@H](NC[C@@H](O)[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000858468011 682971095 /nfs/dbraw/zinc/97/10/95/682971095.db2.gz BHUKFMPOLVUTAU-VHSSKADRSA-N 0 3 354.878 2.367 20 10 FECDHN COc1cc(Br)cc(CN[C@@H](C)C(=O)N2CCCC2)c1O ZINC000798502104 683359082 /nfs/dbraw/zinc/35/90/82/683359082.db2.gz UCTBGVODNIWXKG-JTQLQIEISA-N 0 3 357.248 2.264 20 10 FECDHN COc1nnc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000931029856 683820949 /nfs/dbraw/zinc/82/09/49/683820949.db2.gz DURXJNPWFPEYNY-ZDUSSCGKSA-N 0 3 364.475 2.037 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CSCCS2)N(C)C)cc1 ZINC000891252663 689040464 /nfs/dbraw/zinc/04/04/64/689040464.db2.gz LXNSQMTYNRNWGX-JKSUJKDBSA-N 0 3 353.557 2.320 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCSC2)N(C)C)cc1 ZINC000894509269 689544800 /nfs/dbraw/zinc/54/48/00/689544800.db2.gz BBFNLYGSLKOIHB-RHSMWYFYSA-N 0 3 350.532 2.408 20 10 FECDHN CC(C)OCCONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895002036 689637898 /nfs/dbraw/zinc/63/78/98/689637898.db2.gz BMGLXLCMPMNKAA-KRWDZBQOSA-N 0 3 352.479 2.011 20 10 FECDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000896980221 689957944 /nfs/dbraw/zinc/95/79/44/689957944.db2.gz VANAJFXBXNEILI-CYBMUJFWSA-N 0 3 362.451 2.296 20 10 FECDHN CCOc1ccc(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c([O-])c1 ZINC000898364884 690166730 /nfs/dbraw/zinc/16/67/30/690166730.db2.gz RUOLDMQOYVDJHA-LBPRGKRZSA-N 0 3 364.833 2.308 20 10 FECDHN C[C@@H](CCO)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099122 690303842 /nfs/dbraw/zinc/30/38/42/690303842.db2.gz VQQPQFOFUIAPNU-QAPCUYQASA-N 0 3 350.507 2.063 20 10 FECDHN C[C@H](CCO)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099123 690303900 /nfs/dbraw/zinc/30/39/00/690303900.db2.gz VQQPQFOFUIAPNU-YJBOKZPZSA-N 0 3 350.507 2.063 20 10 FECDHN C[C@H](CCO)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099121 690303949 /nfs/dbraw/zinc/30/39/49/690303949.db2.gz VQQPQFOFUIAPNU-MAUKXSAKSA-N 0 3 350.507 2.063 20 10 FECDHN CC(C)[C@@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100993 690304491 /nfs/dbraw/zinc/30/44/91/690304491.db2.gz GBAVLYFBHTUHPP-MJGOQNOKSA-N 0 3 350.507 2.062 20 10 FECDHN CC1CCN(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000054787080 540610147 /nfs/dbraw/zinc/61/01/47/540610147.db2.gz CIUQMJWOZVOKEG-UHFFFAOYSA-N 0 3 360.502 2.054 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC000085857237 542733003 /nfs/dbraw/zinc/73/30/03/542733003.db2.gz LLOAGWAXABKMCE-IAGOWNOFSA-N 0 3 350.434 2.155 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC000085857237 542733007 /nfs/dbraw/zinc/73/30/07/542733007.db2.gz LLOAGWAXABKMCE-IAGOWNOFSA-N 0 3 350.434 2.155 20 10 FECDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000091312999 542804415 /nfs/dbraw/zinc/80/44/15/542804415.db2.gz WUYGZWFAGAPJJL-GFCCVEGCSA-N 0 3 351.447 2.390 20 10 FECDHN COc1ccc(N2CCCN(C(=O)NC[C@H](C)N(C)C3CC3)CC2)cc1 ZINC000171695512 546219473 /nfs/dbraw/zinc/21/94/73/546219473.db2.gz YPYVTUPXPVBYEW-INIZCTEOSA-N 0 3 360.502 2.400 20 10 FECDHN COc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)ccc1OCC(N)=O ZINC000178028218 546725240 /nfs/dbraw/zinc/72/52/40/546725240.db2.gz OPNDDVLVSXXMAD-CQSZACIVSA-N 0 3 357.454 2.476 20 10 FECDHN COc1cc(O)c(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1OC ZINC000180727846 547168129 /nfs/dbraw/zinc/16/81/29/547168129.db2.gz VSFXBVPPKJFIKL-ACJLOTCBSA-N 0 3 361.442 2.089 20 10 FECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1OC ZINC000180727846 547168134 /nfs/dbraw/zinc/16/81/34/547168134.db2.gz VSFXBVPPKJFIKL-ACJLOTCBSA-N 0 3 361.442 2.089 20 10 FECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1OC ZINC000180727846 547168137 /nfs/dbraw/zinc/16/81/37/547168137.db2.gz VSFXBVPPKJFIKL-ACJLOTCBSA-N 0 3 361.442 2.089 20 10 FECDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000182503770 547504285 /nfs/dbraw/zinc/50/42/85/547504285.db2.gz NRJXUBWXNKUUIT-SJLPKXTDSA-N 0 3 370.490 2.108 20 10 FECDHN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCN2CCN(C)CC2)c1[O-] ZINC000182961632 547580031 /nfs/dbraw/zinc/58/00/31/547580031.db2.gz DBDSSSOJEIEWLD-UHFFFAOYSA-N 0 3 353.894 2.318 20 10 FECDHN CC(=O)c1cc(Cl)cc(C[N@H+](C)CCCN2CCN(C)CC2)c1[O-] ZINC000182961632 547580033 /nfs/dbraw/zinc/58/00/33/547580033.db2.gz DBDSSSOJEIEWLD-UHFFFAOYSA-N 0 3 353.894 2.318 20 10 FECDHN CCN(Cc1cc(Br)ccc1O)C(=O)CNC[C@H]1CCCO1 ZINC000236916776 548788517 /nfs/dbraw/zinc/78/85/17/548788517.db2.gz DLVOWPCSVPYXSR-CQSZACIVSA-N 0 3 371.275 2.272 20 10 FECDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@H]1CCOc2ccccc21 ZINC000237832448 548857004 /nfs/dbraw/zinc/85/70/04/548857004.db2.gz CWXLWEULZYHBJL-KRWDZBQOSA-N 0 3 369.440 2.418 20 10 FECDHN COc1cccc(CNCc2ccc(OCC(=O)N(C)C)c(OC)c2)c1O ZINC000263713646 549924722 /nfs/dbraw/zinc/92/47/22/549924722.db2.gz UZZXXYXSXZPGFQ-UHFFFAOYSA-N 0 3 374.437 2.166 20 10 FECDHN C[C@@H]1CN(c2ccc(CNC(=O)C3CCN(C)CC3)cc2F)C[C@H](C)O1 ZINC000266115344 550017213 /nfs/dbraw/zinc/01/72/13/550017213.db2.gz GVBXHIWNWBDGTJ-GASCZTMLSA-N 0 3 363.477 2.397 20 10 FECDHN C[C@H]1CN(c2ccc(CNC(=O)C3CCN(C)CC3)cc2F)C[C@H](C)O1 ZINC000266115345 550017314 /nfs/dbraw/zinc/01/73/14/550017314.db2.gz GVBXHIWNWBDGTJ-GJZGRUSLSA-N 0 3 363.477 2.397 20 10 FECDHN CCn1cc([C@@H](C)NCCN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000268801192 550117620 /nfs/dbraw/zinc/11/76/20/550117620.db2.gz GEUCXLFXVIQUEI-QGZVFWFLSA-N 0 3 357.502 2.384 20 10 FECDHN CN(C)c1ccc(CN(CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)cc1 ZINC000270554079 550283154 /nfs/dbraw/zinc/28/31/54/550283154.db2.gz HTUYKIIQYLCJPW-UHFFFAOYSA-N 0 3 356.426 2.487 20 10 FECDHN CSCC[C@H](N)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272326962 550437657 /nfs/dbraw/zinc/43/76/57/550437657.db2.gz MDPRPWUEQBDAOG-XEZPLFJOSA-N 0 3 369.506 2.136 20 10 FECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1[O-] ZINC000275313855 550571585 /nfs/dbraw/zinc/57/15/85/550571585.db2.gz JSWZOOOMUTYDAW-TZMCWYRMSA-N 0 3 356.308 2.360 20 10 FECDHN CN(C)C1(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000275424025 550572330 /nfs/dbraw/zinc/57/23/30/550572330.db2.gz IAQILFACNYXBTL-UHFFFAOYSA-N 0 3 374.529 2.179 20 10 FECDHN C[C@H](N[C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000284546000 551574571 /nfs/dbraw/zinc/57/45/71/551574571.db2.gz XSQIGDRBRZSNFX-GMBSWORKSA-N 0 3 368.493 2.471 20 10 FECDHN C[C@H](N[C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000284546009 551574692 /nfs/dbraw/zinc/57/46/92/551574692.db2.gz XSQIGDRBRZSNFX-URLQWDBASA-N 0 3 368.493 2.471 20 10 FECDHN COC[C@]1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)OCCc2ccccc21 ZINC000289773709 552376477 /nfs/dbraw/zinc/37/64/77/552376477.db2.gz IYVVQWNMPMDIFG-FQEVSTJZSA-N 0 3 357.406 2.325 20 10 FECDHN Cc1cc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c([O-])c1 ZINC000294652593 552923916 /nfs/dbraw/zinc/92/39/16/552923916.db2.gz GUPCUVNYBPVWRL-HZPDHXFCSA-N 0 3 370.515 2.148 20 10 FECDHN CCOc1cccc(CN(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000295128736 552961893 /nfs/dbraw/zinc/96/18/93/552961893.db2.gz OEWCIZOFNCKVFL-AWEZNQCLSA-N 0 3 354.447 2.108 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000295963472 553082138 /nfs/dbraw/zinc/08/21/38/553082138.db2.gz JRXAJZRTTIGZMW-SXLOBPIMSA-N 0 3 357.498 2.306 20 10 FECDHN CCOCCN1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000297336459 553279934 /nfs/dbraw/zinc/27/99/34/553279934.db2.gz AQFNDAAVTWPUQB-UHFFFAOYSA-N 0 3 361.530 2.456 20 10 FECDHN COc1ccc(O)c([C@H](C)N2CCCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000364641369 555360336 /nfs/dbraw/zinc/36/03/36/555360336.db2.gz YJRMVZGPZVRFRH-HNNXBMFYSA-N 0 3 363.502 2.384 20 10 FECDHN COc1ccc(N2CCC(N(C)C(=O)C[C@H]3CSCCN3)CC2)cc1 ZINC000366511457 555863725 /nfs/dbraw/zinc/86/37/25/555863725.db2.gz HYPBJQUYLMNLMP-HNNXBMFYSA-N 0 3 363.527 2.218 20 10 FECDHN COc1cc([O-])c(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1OC ZINC000368226061 556253118 /nfs/dbraw/zinc/25/31/18/556253118.db2.gz JUBIZRHYLXESJJ-QAPCUYQASA-N 0 3 351.443 2.209 20 10 FECDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000369639502 556654860 /nfs/dbraw/zinc/65/48/60/556654860.db2.gz OXFKCKODXKKALR-SFHVURJKSA-N 0 3 359.514 2.208 20 10 FECDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000373259126 557660569 /nfs/dbraw/zinc/66/05/69/557660569.db2.gz HVPZWUYVSIPWOX-INIZCTEOSA-N 0 3 372.513 2.074 20 10 FECDHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000373587389 557724264 /nfs/dbraw/zinc/72/42/64/557724264.db2.gz WUECLYWNKRUJDK-RBUKOAKNSA-N 0 3 362.470 2.066 20 10 FECDHN CCc1nc(CN2CCC[C@H]([N@H+](C)Cc3cc(OC)ccc3[O-])C2)no1 ZINC000374999755 557961897 /nfs/dbraw/zinc/96/18/97/557961897.db2.gz RWSVJAXMMLWSGJ-HNNXBMFYSA-N 0 3 360.458 2.443 20 10 FECDHN CCc1nc(CN2CCC[C@H]([N@@H+](C)Cc3cc(OC)ccc3[O-])C2)no1 ZINC000374999755 557961899 /nfs/dbraw/zinc/96/18/99/557961899.db2.gz RWSVJAXMMLWSGJ-HNNXBMFYSA-N 0 3 360.458 2.443 20 10 FECDHN CCOc1ccc(O)c(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000809785314 674509872 /nfs/dbraw/zinc/50/98/72/674509872.db2.gz VFQVFNNTJLTRHE-AWEZNQCLSA-N 0 3 368.499 2.085 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC(N3CCOC[C@H]3C)CC2)c1O ZINC000821278504 675424539 /nfs/dbraw/zinc/42/45/39/675424539.db2.gz BQDNFLBNDCCYKA-CYBMUJFWSA-N 0 3 350.434 2.419 20 10 FECDHN [O-]c1ccc(Br)cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827699587 675773565 /nfs/dbraw/zinc/77/35/65/675773565.db2.gz JIYVMUCXGYKIPN-OAHLLOKOSA-N 0 3 355.276 2.186 20 10 FECDHN [O-]c1ccc(Br)cc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000827699587 675773566 /nfs/dbraw/zinc/77/35/66/675773566.db2.gz JIYVMUCXGYKIPN-OAHLLOKOSA-N 0 3 355.276 2.186 20 10 FECDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCCSc1nccs1 ZINC000829528641 675881845 /nfs/dbraw/zinc/88/18/45/675881845.db2.gz UXTGMMUJMHZBPN-OZVIIMIRSA-N 0 3 355.529 2.274 20 10 FECDHN CCCS(=O)(=O)NC1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840910474 680852217 /nfs/dbraw/zinc/85/22/17/680852217.db2.gz NJUUMFOYGJJFGE-UHFFFAOYSA-N 0 3 353.532 2.355 20 10 FECDHN CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H](O)C(F)(F)F ZINC000765787280 680855183 /nfs/dbraw/zinc/85/51/83/680855183.db2.gz KJLMUVYUWKNXNX-ZFWWWQNUSA-N 0 3 350.356 2.454 20 10 FECDHN C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918939 680859377 /nfs/dbraw/zinc/85/93/77/680859377.db2.gz YOZPGLHAQRXTBU-NVXWUHKLSA-N 0 3 366.937 2.073 20 10 FECDHN Cc1cccc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O ZINC000757957649 680545903 /nfs/dbraw/zinc/54/59/03/680545903.db2.gz NZWOMXUNUCOIGJ-UHFFFAOYSA-N 0 3 350.396 2.172 20 10 FECDHN CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000759172831 680632974 /nfs/dbraw/zinc/63/29/74/680632974.db2.gz IYEMJBCPWNYEFM-TZMCWYRMSA-N 0 3 360.248 2.447 20 10 FECDHN CCOc1ccc(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c([O-])c1 ZINC000769003816 680967525 /nfs/dbraw/zinc/96/75/25/680967525.db2.gz GKPBBTGNFFREQN-GOEBONIOSA-N 0 3 350.459 2.154 20 10 FECDHN CCOc1ccc(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c([O-])c1 ZINC000769003816 680967527 /nfs/dbraw/zinc/96/75/27/680967527.db2.gz GKPBBTGNFFREQN-GOEBONIOSA-N 0 3 350.459 2.154 20 10 FECDHN COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000777219269 681473300 /nfs/dbraw/zinc/47/33/00/681473300.db2.gz IVMXEHMEYXAFEW-GJZGRUSLSA-N 0 3 374.275 2.373 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)c1[O-] ZINC000848552360 681576265 /nfs/dbraw/zinc/57/62/65/681576265.db2.gz LDJSFVQWVGKXSP-UWVGGRQHSA-N 0 3 357.248 2.340 20 10 FECDHN [O-]c1cccc(Br)c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000862247266 683558649 /nfs/dbraw/zinc/55/86/49/683558649.db2.gz HRKGVTSAUFVQTH-UHFFFAOYSA-N 0 3 355.276 2.451 20 10 FECDHN CNS(=O)(=O)C[C@H]1CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000862552310 683600864 /nfs/dbraw/zinc/60/08/64/683600864.db2.gz VVBALRLWGUWDRP-YXMMZVCTSA-N 0 3 351.516 2.027 20 10 FECDHN C[C@@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)NC(=O)OC(C)(C)C ZINC000863333012 683706828 /nfs/dbraw/zinc/70/68/28/683706828.db2.gz NEUXBPYBGGSOMI-XHDPSFHLSA-N 0 3 352.431 2.163 20 10 FECDHN C[C@@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)NC(=O)OC(C)(C)C ZINC000863333012 683706829 /nfs/dbraw/zinc/70/68/29/683706829.db2.gz NEUXBPYBGGSOMI-XHDPSFHLSA-N 0 3 352.431 2.163 20 10 FECDHN C[C@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)NC(=O)OC(C)(C)C ZINC000863333010 683707106 /nfs/dbraw/zinc/70/71/06/683707106.db2.gz NEUXBPYBGGSOMI-IAQYHMDHSA-N 0 3 352.431 2.163 20 10 FECDHN C[C@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O)NC(=O)OC(C)(C)C ZINC000863333010 683707108 /nfs/dbraw/zinc/70/71/08/683707108.db2.gz NEUXBPYBGGSOMI-IAQYHMDHSA-N 0 3 352.431 2.163 20 10 FECDHN CNS(=O)(=O)CCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000866456943 684106884 /nfs/dbraw/zinc/10/68/84/684106884.db2.gz FUCZLJUEDOPFHV-SNVBAGLBSA-N 0 3 365.293 2.053 20 10 FECDHN CCN1CCN(c2ccc(CN[C@H]3CCC3(OC)OC)cc2F)CC1 ZINC000924995897 684514169 /nfs/dbraw/zinc/51/41/69/684514169.db2.gz KAKBUTMDXQBYFQ-SFHVURJKSA-N 0 3 351.466 2.209 20 10 FECDHN COC[C@@]1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCCCN1 ZINC000876731389 686256007 /nfs/dbraw/zinc/25/60/07/686256007.db2.gz QDYWFRQLAZWLHZ-LJQANCHMSA-N 0 3 363.527 2.015 20 10 FECDHN O[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)C(F)(F)F ZINC000883367390 687615554 /nfs/dbraw/zinc/61/55/54/687615554.db2.gz OEGLMVYRCGZWHV-ZDUSSCGKSA-N 0 3 372.309 2.310 20 10 FECDHN CNS(=O)(=O)c1cccc([C@@H](C)NCc2cc(C)cc(OC)c2O)c1 ZINC000894222055 689489236 /nfs/dbraw/zinc/48/92/36/689489236.db2.gz YFKOQWXTYAPVHR-CYBMUJFWSA-N 0 3 364.467 2.468 20 10 FECDHN COC(=O)c1c(CNC[C@]2(O)CCSC2)c2cc(F)ccc2n1C ZINC000894325212 689509703 /nfs/dbraw/zinc/50/97/03/689509703.db2.gz GDMWIOHCKGWQOD-QGZVFWFLSA-N 0 3 352.431 2.062 20 10 FECDHN COC(=O)c1c(CNCC[C@@H](C)[S@@](C)=O)c2cc(F)ccc2n1C ZINC000894410608 689526345 /nfs/dbraw/zinc/52/63/45/689526345.db2.gz RRCWWZUACTVHNB-YDGUKXNOSA-N 0 3 354.447 2.351 20 10 FECDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000896980222 689957884 /nfs/dbraw/zinc/95/78/84/689957884.db2.gz VANAJFXBXNEILI-ZDUSSCGKSA-N 0 3 362.451 2.296 20 10 FECDHN CS[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1N(C)C ZINC000897238004 689992921 /nfs/dbraw/zinc/99/29/21/689992921.db2.gz SZNFMXOUCNJAOX-BMIGLBTASA-N 0 3 352.481 2.430 20 10 FECDHN COc1cccc([O-])c1C[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000898398428 690175874 /nfs/dbraw/zinc/17/58/74/690175874.db2.gz FRWFFHUFBLMTOF-DEOSSOPVSA-N 0 3 355.504 2.187 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CC(C)(C)CO)N(C)C)cc1 ZINC000899097984 690303203 /nfs/dbraw/zinc/30/32/03/690303203.db2.gz JZCHVJKGCCYRBS-QGZVFWFLSA-N 0 3 350.507 2.015 20 10 FECDHN COCCCCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098615 690303215 /nfs/dbraw/zinc/30/32/15/690303215.db2.gz QBLIFRMLVNYBTR-GOSISDBHSA-N 0 3 350.507 2.423 20 10 FECDHN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000127840484 544017130 /nfs/dbraw/zinc/01/71/30/544017130.db2.gz KWZWSWBXNJCHNH-AEFFLSMTSA-N 0 3 372.513 2.290 20 10 FECDHN C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(Br)cc1[O-] ZINC000185392922 547978793 /nfs/dbraw/zinc/97/87/93/547978793.db2.gz QRHBJMPUBUHHAS-QWHCGFSZSA-N 0 3 356.308 2.441 20 10 FECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c1[O-] ZINC000186996021 548236913 /nfs/dbraw/zinc/23/69/13/548236913.db2.gz KGUJJABNSBCSSR-NSHDSACASA-N 0 3 371.275 2.396 20 10 FECDHN CN(C)CCOc1ccc(CCNC(=O)NCc2ccccc2O)cc1 ZINC000264335298 549994259 /nfs/dbraw/zinc/99/42/59/549994259.db2.gz YBVSHCONGAOCFN-UHFFFAOYSA-N 0 3 357.454 2.375 20 10 FECDHN COc1cccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000266633316 550022501 /nfs/dbraw/zinc/02/25/01/550022501.db2.gz AGWUWWVDJFFFBF-QGZVFWFLSA-N 0 3 355.438 2.475 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@@H](CC)CSC)cc2=O ZINC000271609221 550389785 /nfs/dbraw/zinc/38/97/85/550389785.db2.gz VCHVGPBCFXWESB-LBPRGKRZSA-N 0 3 352.460 2.185 20 10 FECDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000273799074 550511506 /nfs/dbraw/zinc/51/15/06/550511506.db2.gz WUSVKSRQEGMIEQ-QWHCGFSZSA-N 0 3 370.877 2.417 20 10 FECDHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000273799074 550511508 /nfs/dbraw/zinc/51/15/08/550511508.db2.gz WUSVKSRQEGMIEQ-QWHCGFSZSA-N 0 3 370.877 2.417 20 10 FECDHN O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)N1 ZINC000279402867 550886173 /nfs/dbraw/zinc/88/61/73/550886173.db2.gz LEDRAZPXNAFORD-HXUWFJFHSA-N 0 3 351.406 2.233 20 10 FECDHN O=C1NC(=O)[C@]2(CCC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)N1 ZINC000279402867 550886175 /nfs/dbraw/zinc/88/61/75/550886175.db2.gz LEDRAZPXNAFORD-HXUWFJFHSA-N 0 3 351.406 2.233 20 10 FECDHN CCCCN(Cc1ccccc1O)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000282573353 551247954 /nfs/dbraw/zinc/24/79/54/551247954.db2.gz ZWBZMWUMOPERJZ-OAHLLOKOSA-N 0 3 361.486 2.120 20 10 FECDHN CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289262662 552291051 /nfs/dbraw/zinc/29/10/51/552291051.db2.gz FUPORVHAPVNIQN-YLJYHZDGSA-N 0 3 358.486 2.485 20 10 FECDHN CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289262662 552291054 /nfs/dbraw/zinc/29/10/54/552291054.db2.gz FUPORVHAPVNIQN-YLJYHZDGSA-N 0 3 358.486 2.485 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](CSC)C1)cc2=O ZINC000292513022 552733785 /nfs/dbraw/zinc/73/37/85/552733785.db2.gz VRWBLBULKMTZGL-LBPRGKRZSA-N 0 3 364.471 2.187 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H]1C[C@H](OCC)C13CCC3)cc2=O ZINC000295846804 553067302 /nfs/dbraw/zinc/06/73/02/553067302.db2.gz DFWZOCNVLSEVLJ-GJZGRUSLSA-N 0 3 374.441 2.049 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000296286052 553135116 /nfs/dbraw/zinc/13/51/16/553135116.db2.gz OXVBJDVNJFKHKP-MISYRCLQSA-N 0 3 357.498 2.258 20 10 FECDHN Cn1ccc(N2CC[C@H](NCc3ccc(N4CCCCC4)cc3)C2=O)n1 ZINC000360091170 554862734 /nfs/dbraw/zinc/86/27/34/554862734.db2.gz ARHJWTDNNRUMOE-SFHVURJKSA-N 0 3 353.470 2.306 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1[O-] ZINC000361392589 554920960 /nfs/dbraw/zinc/92/09/60/554920960.db2.gz WWSRHSDOVGAFCZ-BIMULSAOSA-N 0 3 369.259 2.262 20 10 FECDHN COc1ccc(N2CCC(NCCS(=O)(=O)C(C)(C)C)CC2)cc1 ZINC000362293836 554961354 /nfs/dbraw/zinc/96/13/54/554961354.db2.gz PQAYDHYILGPMKL-UHFFFAOYSA-N 0 3 354.516 2.467 20 10 FECDHN COc1cccc(CN2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)c1O ZINC000364900804 555431628 /nfs/dbraw/zinc/43/16/28/555431628.db2.gz LBVUGTKOTHCMPR-CYBMUJFWSA-N 0 3 358.442 2.205 20 10 FECDHN O=S1(=O)CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000365802575 555670485 /nfs/dbraw/zinc/67/04/85/555670485.db2.gz USDPOLWHRGBEQG-INIZCTEOSA-N 0 3 372.918 2.177 20 10 FECDHN COc1cccc(CN2CCCN(Cc3ncc(Cl)n3C)CC2)c1O ZINC000371414402 557178739 /nfs/dbraw/zinc/17/87/39/557178739.db2.gz HKYUROXRVOOGEL-UHFFFAOYSA-N 0 3 364.877 2.496 20 10 FECDHN Cc1nc(C)n(C[C@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000371419242 557180692 /nfs/dbraw/zinc/18/06/92/557180692.db2.gz SZZFRCCWWUPVPN-HXUWFJFHSA-N 0 3 355.486 2.396 20 10 FECDHN COc1cc(O)c(CN2CCC(c3nnc4n3CCC4)CC2)cc1OC ZINC000372392863 557459108 /nfs/dbraw/zinc/45/91/08/557459108.db2.gz ZAMCSOLBSGQGBE-UHFFFAOYSA-N 0 3 358.442 2.327 20 10 FECDHN CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])CC2 ZINC000375557515 558047972 /nfs/dbraw/zinc/04/79/72/558047972.db2.gz LVOZWQQZNAZXQX-ZDUSSCGKSA-N 0 3 360.433 2.218 20 10 FECDHN COc1cccc(CN2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1O ZINC000377701572 558400866 /nfs/dbraw/zinc/40/08/66/558400866.db2.gz UBUSTSPCLCYTAJ-JKSUJKDBSA-N 0 3 364.442 2.270 20 10 FECDHN C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000378406290 558549478 /nfs/dbraw/zinc/54/94/78/558549478.db2.gz UTPSJWRAWRZQON-QHHYFVSCSA-N 0 3 361.461 2.322 20 10 FECDHN CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000736769922 598727812 /nfs/dbraw/zinc/72/78/12/598727812.db2.gz XFRXJTRDLNTWQO-UHFFFAOYSA-N 0 3 352.442 2.444 20 10 FECDHN Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185195417 672522573 /nfs/dbraw/zinc/52/25/73/672522573.db2.gz VQFJPYVLLCJUIS-CYBMUJFWSA-N 0 3 352.431 2.469 20 10 FECDHN COc1cccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000733330544 673410096 /nfs/dbraw/zinc/41/00/96/673410096.db2.gz AHKRUKVOCAEMSS-UHFFFAOYSA-N 0 3 360.479 2.220 20 10 FECDHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000819824451 675316407 /nfs/dbraw/zinc/31/64/07/675316407.db2.gz KSYJYXXHPLTZCG-CVEARBPZSA-N 0 3 359.495 2.437 20 10 FECDHN COc1cc(Br)cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c1[O-] ZINC000825130486 675638235 /nfs/dbraw/zinc/63/82/35/675638235.db2.gz YWBYGDXRJCEXIK-GXFFZTMASA-N 0 3 360.248 2.135 20 10 FECDHN COc1cc(Br)cc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c1[O-] ZINC000825130486 675638237 /nfs/dbraw/zinc/63/82/37/675638237.db2.gz YWBYGDXRJCEXIK-GXFFZTMASA-N 0 3 360.248 2.135 20 10 FECDHN Cc1cc(Cl)cc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)c1O ZINC000825147639 675638967 /nfs/dbraw/zinc/63/89/67/675638967.db2.gz JOFCGYMBDKXUMS-INIZCTEOSA-N 0 3 351.878 2.140 20 10 FECDHN COc1cc(Br)cc(CN2CC[C@H](Cn3ccnn3)C2)c1O ZINC000826845339 675709843 /nfs/dbraw/zinc/70/98/43/675709843.db2.gz JARVFBCKJURKKE-NSHDSACASA-N 0 3 367.247 2.277 20 10 FECDHN C[C@H](NCCCS(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000765754077 680854200 /nfs/dbraw/zinc/85/42/00/680854200.db2.gz MBNGIMMYWSLPPL-ZDUSSCGKSA-N 0 3 360.907 2.262 20 10 FECDHN CN(C)c1ccc(C[NH2+]C2CCN(CC(=O)[O-])CC2)c(C(F)(F)F)c1 ZINC000874047050 685279119 /nfs/dbraw/zinc/27/91/19/685279119.db2.gz JJCVCLYEYHOSSZ-UHFFFAOYSA-N 0 3 359.392 2.410 20 10 FECDHN C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000834891166 680280807 /nfs/dbraw/zinc/28/08/07/680280807.db2.gz QTTGJNUAJKNSBQ-FZMZJTMJSA-N 0 3 357.447 2.263 20 10 FECDHN Cc1cc(Br)cc(CN2C[C@H](C)N(CCO)C[C@H]2C)c1O ZINC000841891829 680916729 /nfs/dbraw/zinc/91/67/29/680916729.db2.gz PSFPVVYRNONGTB-QWHCGFSZSA-N 0 3 357.292 2.350 20 10 FECDHN O=C(NC[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000843057553 680985108 /nfs/dbraw/zinc/98/51/08/680985108.db2.gz JYYILFANXVILJD-MLGOLLRUSA-N 0 3 369.868 2.265 20 10 FECDHN CCOc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c([O-])c1 ZINC000771982220 681077161 /nfs/dbraw/zinc/07/71/61/681077161.db2.gz XQBKDGQYABZAOS-UHFFFAOYSA-N 0 3 370.496 2.263 20 10 FECDHN Cc1cc(Br)cc(C[NH2+]CC2(N3CCOCC3)CC2)c1[O-] ZINC000775137363 681276864 /nfs/dbraw/zinc/27/68/64/681276864.db2.gz LNOXJBGYRJENBQ-UHFFFAOYSA-N 0 3 355.276 2.418 20 10 FECDHN O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000775396396 681303786 /nfs/dbraw/zinc/30/37/86/681303786.db2.gz SXHBYKNCJGIILJ-JKSUJKDBSA-N 0 3 372.918 2.177 20 10 FECDHN COC1CC[NH+](C(C)(C)CNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000917413100 685531939 /nfs/dbraw/zinc/53/19/39/685531939.db2.gz VPRCYJGPWFFRMV-UHFFFAOYSA-N 0 3 353.438 2.220 20 10 FECDHN C[C@H](NC[C@H](O)[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000858468009 682970972 /nfs/dbraw/zinc/97/09/72/682970972.db2.gz BHUKFMPOLVUTAU-KKXDTOCCSA-N 0 3 354.878 2.367 20 10 FECDHN C[C@@H](NC[C@@H](O)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000927135655 683211156 /nfs/dbraw/zinc/21/11/56/683211156.db2.gz ZWTSYJRITOAZPF-FZKQIMNGSA-N 0 3 364.877 2.294 20 10 FECDHN [O-]c1cccc(Br)c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000862212388 683550907 /nfs/dbraw/zinc/55/09/07/683550907.db2.gz ICRKVNMPRKFSFX-UHFFFAOYSA-N 0 3 368.319 2.368 20 10 FECDHN CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000863340263 683708522 /nfs/dbraw/zinc/70/85/22/683708522.db2.gz JLWDYSLUWDYGNT-CYBMUJFWSA-N 0 3 370.515 2.157 20 10 FECDHN COC(=O)c1c(CN[C@H](C)[C@@H](CO)SC)c2cc(F)ccc2n1C ZINC000894279814 689499443 /nfs/dbraw/zinc/49/94/43/689499443.db2.gz AJVRPEKXTWROQY-MEBBXXQBSA-N 0 3 354.447 2.306 20 10 FECDHN COC(=O)c1c(CN[C@@H](C)CC[S@](C)=O)c2cc(F)ccc2n1C ZINC000894332893 689511820 /nfs/dbraw/zinc/51/18/20/689511820.db2.gz JJDYETSRVWKSQA-BUBHHJDNSA-N 0 3 354.447 2.351 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)NCC2SCCS2)N(C)C)cc1 ZINC000895873415 689785665 /nfs/dbraw/zinc/78/56/65/689785665.db2.gz SUTZRPIFIHPQEG-HNNXBMFYSA-N 0 3 368.572 2.461 20 10 FECDHN O=S(=O)(CCNCc1ccc(N2CCCCC2)cc1)N1CCCC1 ZINC000897832190 690087410 /nfs/dbraw/zinc/08/74/10/690087410.db2.gz IDRLJVVFTOZDPR-UHFFFAOYSA-N 0 3 351.516 2.192 20 10 FECDHN CC(C)[C@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102481 690304384 /nfs/dbraw/zinc/30/43/84/690304384.db2.gz PUUAKHDOGAPSLO-ROUUACIJSA-N 0 3 350.507 2.062 20 10 FECDHN CCN(CCOCCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000800532482 674059994 /nfs/dbraw/zinc/05/99/94/674059994.db2.gz XEWNAMHZPALVRL-UHFFFAOYSA-N 0 3 351.447 2.416 20 10 FECDHN CCCOc1ccc(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)c([O-])c1 ZINC000092074490 542844055 /nfs/dbraw/zinc/84/40/55/542844055.db2.gz SPRITCNUSRDNPU-UHFFFAOYSA-N 0 3 372.469 2.309 20 10 FECDHN C[C@@H]1CN(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)CCO1 ZINC000092079294 542844870 /nfs/dbraw/zinc/84/48/70/542844870.db2.gz TVNCZZWNQPXTEZ-GOSISDBHSA-N 0 3 359.514 2.208 20 10 FECDHN COc1cccc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000092585677 542872986 /nfs/dbraw/zinc/87/29/86/542872986.db2.gz YGGGYTSXFNYXDF-GFCCVEGCSA-N 0 3 350.440 2.241 20 10 FECDHN c1cc(N2CCOCC2)ccc1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000093011535 542901801 /nfs/dbraw/zinc/90/18/01/542901801.db2.gz MBLSPWOMIBNLFP-OAQYLSRUSA-N 0 3 359.514 2.210 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CCC(Cc3nccn3C)CC2)cc1 ZINC000106165357 543210972 /nfs/dbraw/zinc/21/09/72/543210972.db2.gz NMUWZTLBSASUSW-UHFFFAOYSA-N 0 3 369.513 2.057 20 10 FECDHN C[C@@H](NCCNC(=O)c1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120280374 543678316 /nfs/dbraw/zinc/67/83/16/543678316.db2.gz OZIBKIAYXBJXBQ-CQSZACIVSA-N 0 3 361.417 2.336 20 10 FECDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000176042602 546394294 /nfs/dbraw/zinc/39/42/94/546394294.db2.gz VBAGXHYWHPTGOI-UHFFFAOYSA-N 0 3 368.481 2.378 20 10 FECDHN O=S(=O)(NC1CCN(Cc2ccccc2O)CC1)c1ccc(F)cc1 ZINC000179560233 546976376 /nfs/dbraw/zinc/97/63/76/546976376.db2.gz DTCIACJGYOFNAI-UHFFFAOYSA-N 0 3 364.442 2.474 20 10 FECDHN CCCS(=O)(=O)NC1CCN(Cc2cccc(OCC)c2O)CC1 ZINC000180019741 547039616 /nfs/dbraw/zinc/03/96/16/547039616.db2.gz IFUDMLULEJHYHY-UHFFFAOYSA-N 0 3 356.488 2.085 20 10 FECDHN COc1ccc(O)c([C@@H](C)NCCNS(=O)(=O)c2ccc(C)cc2)c1 ZINC000185194990 547950131 /nfs/dbraw/zinc/95/01/31/547950131.db2.gz ISFVICYSTREFOK-CQSZACIVSA-N 0 3 364.467 2.338 20 10 FECDHN CC(C)C[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000269255123 550172978 /nfs/dbraw/zinc/17/29/78/550172978.db2.gz ROKRMVLUAAFBMP-CPUCHLNUSA-N 0 3 351.466 2.429 20 10 FECDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1cc(OC)c(OC)cc1O)CC2 ZINC000271883672 550408120 /nfs/dbraw/zinc/40/81/20/550408120.db2.gz VTAAPFIJANGXFA-ZWKOTPCHSA-N 0 3 351.443 2.161 20 10 FECDHN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(OC)c(OC)cc1[O-])CC2 ZINC000271883672 550408121 /nfs/dbraw/zinc/40/81/21/550408121.db2.gz VTAAPFIJANGXFA-ZWKOTPCHSA-N 0 3 351.443 2.161 20 10 FECDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000273799077 550511576 /nfs/dbraw/zinc/51/15/76/550511576.db2.gz WUSVKSRQEGMIEQ-STQMWFEESA-N 0 3 370.877 2.417 20 10 FECDHN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000273799077 550511577 /nfs/dbraw/zinc/51/15/77/550511577.db2.gz WUSVKSRQEGMIEQ-STQMWFEESA-N 0 3 370.877 2.417 20 10 FECDHN CCn1nccc1N1CCC[C@@H](NCc2ccc(N(C)C)c(F)c2)C1=O ZINC000276590389 550579394 /nfs/dbraw/zinc/57/93/94/550579394.db2.gz DIYLNCBBGANJAL-MRXNPFEDSA-N 0 3 359.449 2.393 20 10 FECDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](N)C1CCOCC1 ZINC000282223276 551197692 /nfs/dbraw/zinc/19/76/92/551197692.db2.gz AXRQPCHDUSHLIY-HNNXBMFYSA-N 0 3 371.275 2.257 20 10 FECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000282540520 551244021 /nfs/dbraw/zinc/24/40/21/551244021.db2.gz VYXPGVPACZTRJT-HNNXBMFYSA-N 0 3 361.486 2.107 20 10 FECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000282540520 551244023 /nfs/dbraw/zinc/24/40/23/551244023.db2.gz VYXPGVPACZTRJT-HNNXBMFYSA-N 0 3 361.486 2.107 20 10 FECDHN CCN1CCN(c2ccc(CN[C@@H](C)C(C)(C)n3cncn3)cc2F)CC1 ZINC000283856856 551439031 /nfs/dbraw/zinc/43/90/31/551439031.db2.gz BKLFDHIMTVFHAJ-INIZCTEOSA-N 0 3 374.508 2.473 20 10 FECDHN O=S1(=O)CCC[C@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000362252997 554958245 /nfs/dbraw/zinc/95/82/45/554958245.db2.gz DWOZUWWTKZLIMK-AWEZNQCLSA-N 0 3 374.453 2.424 20 10 FECDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1 ZINC000363892879 555208271 /nfs/dbraw/zinc/20/82/71/555208271.db2.gz DFERIYDFOMGFGZ-SCLBCKFNSA-N 0 3 370.453 2.341 20 10 FECDHN CCCOc1ccc(CN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c(O)c1 ZINC000366536750 555870849 /nfs/dbraw/zinc/87/08/49/555870849.db2.gz SUPXJCGGPNPFLZ-LJQANCHMSA-N 0 3 361.442 2.086 20 10 FECDHN COc1ccc(O)c([C@@H](C)N2CCC[C@H]2C(=O)NCC2CCOCC2)c1 ZINC000368052288 556204289 /nfs/dbraw/zinc/20/42/89/556204289.db2.gz VCGVSSDOEYVKOF-KDOFPFPSSA-N 0 3 362.470 2.469 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1[O-] ZINC000368200547 556246715 /nfs/dbraw/zinc/24/67/15/556246715.db2.gz PPOKOQKZKSYNAK-CQSZACIVSA-N 0 3 363.477 2.334 20 10 FECDHN COc1cc([O-])c(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1OC ZINC000368226059 556252921 /nfs/dbraw/zinc/25/29/21/556252921.db2.gz JUBIZRHYLXESJJ-CRAIPNDOSA-N 0 3 351.443 2.209 20 10 FECDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1OC ZINC000368405411 556298365 /nfs/dbraw/zinc/29/83/65/556298365.db2.gz YPORTJJWGUCAFB-JLTOFOAXSA-N 0 3 374.485 2.316 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(N)=O)C2)c([O-])c1 ZINC000369035302 556483564 /nfs/dbraw/zinc/48/35/64/556483564.db2.gz LECIMOIHBGDXHI-AWEZNQCLSA-N 0 3 358.442 2.383 20 10 FECDHN CCCOc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3C(N)=O)C2)c([O-])c1 ZINC000369035302 556483565 /nfs/dbraw/zinc/48/35/65/556483565.db2.gz LECIMOIHBGDXHI-AWEZNQCLSA-N 0 3 358.442 2.383 20 10 FECDHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375304644 558006550 /nfs/dbraw/zinc/00/65/50/558006550.db2.gz UKCYEVQAZJRSDU-WSXQUGQNSA-N 0 3 361.461 2.370 20 10 FECDHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375304642 558006711 /nfs/dbraw/zinc/00/67/11/558006711.db2.gz UKCYEVQAZJRSDU-QKMWGZLOSA-N 0 3 361.461 2.370 20 10 FECDHN COc1cccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1[O-] ZINC000375569163 558050215 /nfs/dbraw/zinc/05/02/15/558050215.db2.gz GVDIXAWDOIJTSH-AWEZNQCLSA-N 0 3 372.469 2.088 20 10 FECDHN COc1ccc(O)c(CNC(=O)C2CCN(Cc3cccnc3)CC2)c1 ZINC000377810098 558424555 /nfs/dbraw/zinc/42/45/55/558424555.db2.gz XRBHXDNMSQUISD-UHFFFAOYSA-N 0 3 355.438 2.324 20 10 FECDHN [O-]c1cc(Br)ccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000824849840 675625184 /nfs/dbraw/zinc/62/51/84/675625184.db2.gz HXYKCEGLOOGXBG-UHFFFAOYSA-N 0 3 355.276 2.451 20 10 FECDHN O=S1(=O)CC[C@H](CCN(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000760855660 680703449 /nfs/dbraw/zinc/70/34/49/680703449.db2.gz HAQHIHIGNNPZRR-RDJZCZTQSA-N 0 3 353.484 2.198 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@H](CCO)C2CCOCC2)c1[O-] ZINC000763465607 680783597 /nfs/dbraw/zinc/78/35/97/680783597.db2.gz BDBPOBMCCQDYCC-CQSZACIVSA-N 0 3 374.275 2.431 20 10 FECDHN C[C@H](NC[C@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000840827391 680845119 /nfs/dbraw/zinc/84/51/19/680845119.db2.gz ISTRYCLQFCWDGL-UONOGXRCSA-N 0 3 351.878 2.353 20 10 FECDHN COC(=O)[C@]1(C)CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840976436 680858337 /nfs/dbraw/zinc/85/83/37/680858337.db2.gz WFOJTQYAPQQDLK-LJQANCHMSA-N 0 3 350.434 2.437 20 10 FECDHN CN(CC[NH2+][C@@H]1CCc2cccc([O-])c21)S(=O)(=O)c1cccs1 ZINC000834689237 680257043 /nfs/dbraw/zinc/25/70/43/680257043.db2.gz KSNNFKKGNJPKNP-CYBMUJFWSA-N 0 3 352.481 2.351 20 10 FECDHN CN(CC[NH2+][C@H]1CCc2cccc([O-])c21)S(=O)(=O)c1cccs1 ZINC000834689238 680257107 /nfs/dbraw/zinc/25/71/07/680257107.db2.gz KSNNFKKGNJPKNP-ZDUSSCGKSA-N 0 3 352.481 2.351 20 10 FECDHN CN(C)c1ccc([C@H]([NH3+])C[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000842785255 680966299 /nfs/dbraw/zinc/96/62/99/680966299.db2.gz GBLVDBSMWRFJHW-OAHLLOKOSA-N 0 3 355.410 2.009 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1[O-] ZINC000848528205 681572043 /nfs/dbraw/zinc/57/20/43/681572043.db2.gz KJWGFHLBPQAQEZ-DGCLKSJQSA-N 0 3 372.307 2.060 20 10 FECDHN COc1cc(Br)cc([C@H](C)NCC(=O)NCC2CC2)c1O ZINC000848544342 681574820 /nfs/dbraw/zinc/57/48/20/681574820.db2.gz QFRMUCPTILCBRP-VIFPVBQESA-N 0 3 357.248 2.340 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1[O-] ZINC000848549795 681576247 /nfs/dbraw/zinc/57/62/47/681576247.db2.gz UNTMFTRLSUZTOS-QJPTWQEYSA-N 0 3 374.275 2.459 20 10 FECDHN OC1CCN(c2ccc(CNCc3cnn(CC(F)F)c3)cc2)CC1 ZINC000850406485 681898583 /nfs/dbraw/zinc/89/85/83/681898583.db2.gz IBXZONBUNODZGS-UHFFFAOYSA-N 0 3 350.413 2.399 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)c1[O-] ZINC000858472343 682971495 /nfs/dbraw/zinc/97/14/95/682971495.db2.gz YFCKWRKQAOKTOH-ZWKOPEQDSA-N 0 3 360.248 2.354 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2ccnn2C)c1[O-] ZINC000927131751 683210774 /nfs/dbraw/zinc/21/07/74/683210774.db2.gz QRFNTQJKCJUIPV-ZANVPECISA-N 0 3 370.247 2.281 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c1[O-] ZINC000927131746 683210808 /nfs/dbraw/zinc/21/08/08/683210808.db2.gz QRFNTQJKCJUIPV-NOZJJQNGSA-N 0 3 370.247 2.281 20 10 FECDHN O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877799003 686466007 /nfs/dbraw/zinc/46/60/07/686466007.db2.gz HDTBQDHWTUVPAG-XYPHTWIQSA-N 0 3 350.434 2.163 20 10 FECDHN O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877799003 686466008 /nfs/dbraw/zinc/46/60/08/686466008.db2.gz HDTBQDHWTUVPAG-XYPHTWIQSA-N 0 3 350.434 2.163 20 10 FECDHN C[C@@H](N[C@@H](C)c1ccccc1O)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000879651050 686879613 /nfs/dbraw/zinc/87/96/13/686879613.db2.gz FUXNGUMIHICVKZ-QWHCGFSZSA-N 0 3 362.451 2.474 20 10 FECDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccccc1S(C)(=O)=O ZINC000879651050 686879616 /nfs/dbraw/zinc/87/96/16/686879616.db2.gz FUXNGUMIHICVKZ-QWHCGFSZSA-N 0 3 362.451 2.474 20 10 FECDHN COCc1ncsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246300 689039718 /nfs/dbraw/zinc/03/97/18/689039718.db2.gz BXLRNCNKRNUUGI-MRXNPFEDSA-N 0 3 362.499 2.388 20 10 FECDHN C[C@H](O)c1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891248906 689039889 /nfs/dbraw/zinc/03/98/89/689039889.db2.gz OLCZGEMEKOCOJF-WFASDCNBSA-N 0 3 362.499 2.295 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(N)nc(Cl)c2)N(C)C)cc1 ZINC000891253391 689040518 /nfs/dbraw/zinc/04/05/18/689040518.db2.gz SBGHLCMPYPSZOL-OAHLLOKOSA-N 0 3 361.877 2.416 20 10 FECDHN CS[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1N(C)C ZINC000897238008 689992923 /nfs/dbraw/zinc/99/29/23/689992923.db2.gz SZNFMXOUCNJAOX-ZUZCIYMTSA-N 0 3 352.481 2.430 20 10 FECDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCc3nnn(C)c3C2)c1[O-] ZINC000897346583 690009904 /nfs/dbraw/zinc/00/99/04/690009904.db2.gz XATDWNAOGCCZPD-LBPRGKRZSA-N 0 3 351.248 2.239 20 10 FECDHN COc1cc(Cl)cc(CN2CCC(CN3CCNC3=O)CC2)c1O ZINC000897583451 690043866 /nfs/dbraw/zinc/04/38/66/690043866.db2.gz UTUTYIHNPINFEE-UHFFFAOYSA-N 0 3 353.850 2.291 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)c1[O-] ZINC000898467660 690187873 /nfs/dbraw/zinc/18/78/73/690187873.db2.gz OJZYRXJFFUZDKN-XJKSGUPXSA-N 0 3 369.259 2.454 20 10 FECDHN COc1cccc(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1[O-] ZINC000091921408 542832613 /nfs/dbraw/zinc/83/26/13/542832613.db2.gz HFMRODWMFJPXKU-GASCZTMLSA-N 0 3 362.470 2.249 20 10 FECDHN C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccccc1[O-] ZINC000183608403 547688256 /nfs/dbraw/zinc/68/82/56/547688256.db2.gz HKONNPIKBDHWRN-AWEZNQCLSA-N 0 3 368.499 2.016 20 10 FECDHN C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000184899883 547895979 /nfs/dbraw/zinc/89/59/79/547895979.db2.gz XFZIAQBKDFUEBX-CYBMUJFWSA-N 0 3 356.308 2.443 20 10 FECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c1 ZINC000184980794 547911137 /nfs/dbraw/zinc/91/11/37/547911137.db2.gz MUSWTFDHMUPMRR-KRWDZBQOSA-N 0 3 355.486 2.354 20 10 FECDHN C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186054619 548078751 /nfs/dbraw/zinc/07/87/51/548078751.db2.gz IRFCWFQVMVEIJK-SCLBCKFNSA-N 0 3 354.454 2.461 20 10 FECDHN COc1cc(N2CCN(CC[C@@H]3CCCO3)CC2)cc(OC)c1OC ZINC000189974263 548315599 /nfs/dbraw/zinc/31/55/99/548315599.db2.gz RZEDOOTZBCQMQG-INIZCTEOSA-N 0 3 350.459 2.404 20 10 FECDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CN(Cc3ccccc3)CC[C@H]1CO)OCO2 ZINC000265811989 550014487 /nfs/dbraw/zinc/01/44/87/550014487.db2.gz VWNXAKGTERWYIT-FUHWJXTLSA-N 0 3 370.449 2.094 20 10 FECDHN NC[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000269240936 550171017 /nfs/dbraw/zinc/17/10/17/550171017.db2.gz JPMFYMVNZJSEOI-OAQYLSRUSA-N 0 3 367.493 2.254 20 10 FECDHN CN(C)C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)Cc2ccccc2C1 ZINC000272362382 550441191 /nfs/dbraw/zinc/44/11/91/550441191.db2.gz BPFXLXDMOWOUMU-CSKARUKUSA-N 0 3 352.434 2.326 20 10 FECDHN COc1ccc(N2CCN(CCN[C@H](c3nccn3C)C3CC3)CC2)cc1 ZINC000275124020 550570502 /nfs/dbraw/zinc/57/05/02/550570502.db2.gz UKALJZNTIYRLQI-FQEVSTJZSA-N 0 3 369.513 2.292 20 10 FECDHN CN(C)CCc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000275481053 550572569 /nfs/dbraw/zinc/57/25/69/550572569.db2.gz ABBWUYCVPQSYDO-UHFFFAOYSA-N 0 3 368.481 2.112 20 10 FECDHN CCOC(=O)c1csc(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)n1 ZINC000276244391 550577560 /nfs/dbraw/zinc/57/75/60/550577560.db2.gz QTTDCBHEHQUKLJ-UHFFFAOYSA-N 0 3 350.396 2.086 20 10 FECDHN CC[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(C)cc1[O-] ZINC000280106514 550961741 /nfs/dbraw/zinc/96/17/41/550961741.db2.gz NLUMAQPHXSJHER-WBVHZDCISA-N 0 3 370.515 2.230 20 10 FECDHN C[C@H](N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000284726270 551617695 /nfs/dbraw/zinc/61/76/95/551617695.db2.gz CWOJAINXJSPLTK-JNAXZKDPSA-N 0 3 355.486 2.499 20 10 FECDHN C[C@@H](CN(C)C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000287036419 551954689 /nfs/dbraw/zinc/95/46/89/551954689.db2.gz GAOXPYLCCDICNP-SOUVJXGZSA-N 0 3 366.481 2.189 20 10 FECDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000289250060 552289158 /nfs/dbraw/zinc/28/91/58/552289158.db2.gz FCSXBEVDZSGGOX-MRXNPFEDSA-N 0 3 373.497 2.288 20 10 FECDHN COc1cc(N2CCN(C[C@H](O)C(C)(C)C)CC2)cc(OC)c1OC ZINC000289987273 552410003 /nfs/dbraw/zinc/41/00/03/552410003.db2.gz QZSMRSNOPLXOHC-KRWDZBQOSA-N 0 3 352.475 2.241 20 10 FECDHN OCC1CCN(c2ccc(CNCc3c[nH]c4nccnc34)cc2)CC1 ZINC000290827516 552545063 /nfs/dbraw/zinc/54/50/63/552545063.db2.gz HPNXVVAGKPXZMO-UHFFFAOYSA-N 0 3 351.454 2.456 20 10 FECDHN C[C@H]1CCCN(CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000298725905 553464270 /nfs/dbraw/zinc/46/42/70/553464270.db2.gz OGHSCBBWZKOJCM-SFHVURJKSA-N 0 3 374.529 2.397 20 10 FECDHN C[C@H](CS(C)(=O)=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000362256167 554958893 /nfs/dbraw/zinc/95/88/93/554958893.db2.gz LHEFQBBZVPPJOM-GFCCVEGCSA-N 0 3 362.442 2.280 20 10 FECDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000364734125 555388930 /nfs/dbraw/zinc/38/89/30/555388930.db2.gz JDKVFJOOYDLNGM-UEXGIBASSA-N 0 3 357.498 2.436 20 10 FECDHN O=C1NC(=O)[C@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C[C@H]12 ZINC000366481801 555856639 /nfs/dbraw/zinc/85/66/39/555856639.db2.gz LMPZNRNGSPVOHA-ROUUACIJSA-N 0 3 366.417 2.066 20 10 FECDHN O=C1NC(=O)[C@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C[C@H]12 ZINC000366481801 555856641 /nfs/dbraw/zinc/85/66/41/555856641.db2.gz LMPZNRNGSPVOHA-ROUUACIJSA-N 0 3 366.417 2.066 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC(CC(=O)N3CCOCC3)CC2)c1 ZINC000368827380 556423980 /nfs/dbraw/zinc/42/39/80/556423980.db2.gz ZUYRZESVKPPARE-HNNXBMFYSA-N 0 3 362.470 2.423 20 10 FECDHN COCCCN(C)CCNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373383660 557683790 /nfs/dbraw/zinc/68/37/90/557683790.db2.gz OGJWIQCJTUNLBX-UHFFFAOYSA-N 0 3 360.502 2.130 20 10 FECDHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000373587390 557724050 /nfs/dbraw/zinc/72/40/50/557724050.db2.gz WUECLYWNKRUJDK-RTBURBONSA-N 0 3 362.470 2.066 20 10 FECDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000374805372 557934146 /nfs/dbraw/zinc/93/41/46/557934146.db2.gz IOQBDQACLRZZDY-KOHMXHNUSA-N 0 3 360.454 2.117 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c([O-])c1 ZINC000375179173 557987916 /nfs/dbraw/zinc/98/79/16/557987916.db2.gz WLZFEELWCMSHJI-HNNXBMFYSA-N 0 3 374.441 2.396 20 10 FECDHN CCCOc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c([O-])c1 ZINC000375179173 557987917 /nfs/dbraw/zinc/98/79/17/557987917.db2.gz WLZFEELWCMSHJI-HNNXBMFYSA-N 0 3 374.441 2.396 20 10 FECDHN CCCOc1ccc(C[NH2+]C2CCN(c3nccn(C)c3=O)CC2)c([O-])c1 ZINC000376680794 558207289 /nfs/dbraw/zinc/20/72/89/558207289.db2.gz OTWDGYFULIRIMB-UHFFFAOYSA-N 0 3 372.469 2.033 20 10 FECDHN COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000376690230 558209308 /nfs/dbraw/zinc/20/93/08/558209308.db2.gz PKDWXBJDAWQKEM-HNNXBMFYSA-N 0 3 372.469 2.180 20 10 FECDHN COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000376690230 558209309 /nfs/dbraw/zinc/20/93/09/558209309.db2.gz PKDWXBJDAWQKEM-HNNXBMFYSA-N 0 3 372.469 2.180 20 10 FECDHN Cc1c2ccccc2n(C)c1CNC(=O)NCCCCN1CCN(C)CC1 ZINC000525922198 562259733 /nfs/dbraw/zinc/25/97/33/562259733.db2.gz HGHYVLBZWFVMJW-UHFFFAOYSA-N 0 3 371.529 2.314 20 10 FECDHN Cc1c2ccccc2n(C)c1CNC(=O)N(CCN(C)C)CCN(C)C ZINC000526927377 562269648 /nfs/dbraw/zinc/26/96/48/562269648.db2.gz KOOBNVMIRYYGKV-UHFFFAOYSA-N 0 3 359.518 2.122 20 10 FECDHN CN(C)CCNC(=O)c1ccc(NCc2cc3c(cc2O)OCO3)cc1 ZINC000527762864 562303032 /nfs/dbraw/zinc/30/30/32/562303032.db2.gz JJPOICCCWBCFBL-UHFFFAOYSA-N 0 3 357.410 2.024 20 10 FECDHN CCOc1ccc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c([O-])c1 ZINC000809733703 674507834 /nfs/dbraw/zinc/50/78/34/674507834.db2.gz DYMJWJAIQPJCIC-UHFFFAOYSA-N 0 3 362.455 2.493 20 10 FECDHN CN1CCN(C(=O)C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000006734491 669961569 /nfs/dbraw/zinc/96/15/69/669961569.db2.gz ZESWFUZBLJOUPE-UHFFFAOYSA-N 0 3 351.878 2.032 20 10 FECDHN CCCN(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000123533123 671981183 /nfs/dbraw/zinc/98/11/83/671981183.db2.gz WTQSKJNOYPPDOR-HUUCEWRRSA-N 0 3 351.466 2.397 20 10 FECDHN COCCN1CCC[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC000153439361 672198546 /nfs/dbraw/zinc/19/85/46/672198546.db2.gz IOPLKQUFPYTFFY-CYBMUJFWSA-N 0 3 358.533 2.035 20 10 FECDHN CCCS(=O)(=O)NC1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000164090929 672312141 /nfs/dbraw/zinc/31/21/41/672312141.db2.gz SPIQMTQYQKYCAT-UHFFFAOYSA-N 0 3 356.488 2.003 20 10 FECDHN CN1CCC(O)(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708098587 673064377 /nfs/dbraw/zinc/06/43/77/673064377.db2.gz KOXOXARMTVLBTG-UHFFFAOYSA-N 0 3 363.683 2.354 20 10 FECDHN CCOC(=O)[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)CC12COC2 ZINC000824489717 675606071 /nfs/dbraw/zinc/60/60/71/675606071.db2.gz PWQIXJJJFOKMAA-ZDUSSCGKSA-N 0 3 355.818 2.066 20 10 FECDHN [O-]c1cc(Br)ccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000824902338 675627854 /nfs/dbraw/zinc/62/78/54/675627854.db2.gz UHIXNFKHHRMGJP-CYBMUJFWSA-N 0 3 355.276 2.309 20 10 FECDHN Cc1cc(Cl)cc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)c1O ZINC000825147641 675638989 /nfs/dbraw/zinc/63/89/89/675638989.db2.gz JOFCGYMBDKXUMS-MRXNPFEDSA-N 0 3 351.878 2.140 20 10 FECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](N)CC(F)F)cc2F)C[C@@H](C)O1 ZINC000827365411 675751210 /nfs/dbraw/zinc/75/12/10/675751210.db2.gz RQMDJQUIKJUXSQ-GYSYKLTISA-N 0 3 359.392 2.038 20 10 FECDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](N)CC(F)F ZINC000830804317 677061685 /nfs/dbraw/zinc/06/16/85/677061685.db2.gz TXMXEGACQMCEJA-SNVBAGLBSA-N 0 3 351.191 2.486 20 10 FECDHN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCN(CC(F)(F)F)C1 ZINC000840141718 680801728 /nfs/dbraw/zinc/80/17/28/680801728.db2.gz XEQFPVULUIQBPL-ABAIWWIYSA-N 0 3 360.376 2.134 20 10 FECDHN C[C@@H]1C[C@H]([NH2+]C2CCN(CCS(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000756561996 680485683 /nfs/dbraw/zinc/48/56/83/680485683.db2.gz DKWNTOCYXCDRDR-DOMZBBRYSA-N 0 3 370.490 2.178 20 10 FECDHN CCOc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c([O-])c1 ZINC000842722615 680962290 /nfs/dbraw/zinc/96/22/90/680962290.db2.gz SDXUVZJZLKMZIS-OAHLLOKOSA-N 0 3 363.435 2.115 20 10 FECDHN CN(C)c1ccc([C@@H]([NH3+])C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000842785603 680966288 /nfs/dbraw/zinc/96/62/88/680966288.db2.gz JAXZBCHYWLUNTP-LBPRGKRZSA-N 0 3 359.904 2.446 20 10 FECDHN COc1ccc(CNCCN(C)S(=O)(=O)c2cccs2)cc1C ZINC000771976728 681076625 /nfs/dbraw/zinc/07/66/25/681076625.db2.gz CHCVHZWTLMALQB-UHFFFAOYSA-N 0 3 354.497 2.475 20 10 FECDHN COCCN(C)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848524337 681571323 /nfs/dbraw/zinc/57/13/23/681571323.db2.gz DLKXVGJARMTUOL-NSHDSACASA-N 0 3 361.280 2.392 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000848529470 681572596 /nfs/dbraw/zinc/57/25/96/681572596.db2.gz NWXDCUISQOHSPD-ZANVPECISA-N 0 3 370.247 2.281 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c1[O-] ZINC000848552107 681576319 /nfs/dbraw/zinc/57/63/19/681576319.db2.gz HETPSYVIAKGIFQ-BJOHPYRUSA-N 0 3 357.248 2.483 20 10 FECDHN CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000778197180 681584812 /nfs/dbraw/zinc/58/48/12/681584812.db2.gz BKRYOLLIQROHQI-GFCCVEGCSA-N 0 3 350.415 2.468 20 10 FECDHN Fc1cc(CNC2CSC2)ccc1N1CCN(c2ncccn2)CC1 ZINC000780872152 681881259 /nfs/dbraw/zinc/88/12/59/681881259.db2.gz HPAJCOKZTNGOBR-UHFFFAOYSA-N 0 3 359.474 2.147 20 10 FECDHN Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1ccccc1[O-] ZINC000796516433 683167326 /nfs/dbraw/zinc/16/73/26/683167326.db2.gz UIVJPMHTNKVNNG-UHFFFAOYSA-N 0 3 354.859 2.422 20 10 FECDHN C[C@@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000797070805 683220464 /nfs/dbraw/zinc/22/04/64/683220464.db2.gz SRRPKDXSRIMKGH-KGLIPLIRSA-N 0 3 370.490 2.279 20 10 FECDHN Cc1cc(O)c(C[NH2+]CC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1C ZINC000799344951 683447150 /nfs/dbraw/zinc/44/71/50/683447150.db2.gz MQIMIPLTYWOLRZ-UHFFFAOYSA-N 0 3 370.421 2.355 20 10 FECDHN C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c([O-])cccc1Br ZINC000862335042 683573309 /nfs/dbraw/zinc/57/33/09/683573309.db2.gz XCPLBSRUIRITQR-GFCCVEGCSA-N 0 3 357.292 2.432 20 10 FECDHN C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1c([O-])cccc1Br ZINC000862335042 683573313 /nfs/dbraw/zinc/57/33/13/683573313.db2.gz XCPLBSRUIRITQR-GFCCVEGCSA-N 0 3 357.292 2.432 20 10 FECDHN Cc1ccc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)c([O-])c1 ZINC000877137381 686330968 /nfs/dbraw/zinc/33/09/68/686330968.db2.gz VTHHOBVJKRSWNW-UHFFFAOYSA-N 0 3 350.440 2.241 20 10 FECDHN CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCN(C)C1 ZINC000892030631 689142916 /nfs/dbraw/zinc/14/29/16/689142916.db2.gz CFBHICFPDCSGQD-GOSISDBHSA-N 0 3 362.543 2.475 20 10 FECDHN COc1ccc(C[NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000894185511 689482615 /nfs/dbraw/zinc/48/26/15/689482615.db2.gz PMSWSKCHCVXHLD-AWEZNQCLSA-N 0 3 352.431 2.126 20 10 FECDHN COC(=O)c1c(CNCC[C@@H](C)[S@](C)=O)c2cc(F)ccc2n1C ZINC000894410607 689526484 /nfs/dbraw/zinc/52/64/84/689526484.db2.gz RRCWWZUACTVHNB-JNDILOIQSA-N 0 3 354.447 2.351 20 10 FECDHN COCC[C@H](C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895339334 689698868 /nfs/dbraw/zinc/69/88/68/689698868.db2.gz LWJZEAILKUXFCP-YJBOKZPZSA-N 0 3 350.507 2.327 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)NCCc2ccns2)N(C)C)cc1 ZINC000896418875 689872030 /nfs/dbraw/zinc/87/20/30/689872030.db2.gz RNOQRIJTWYHFFG-QGZVFWFLSA-N 0 3 361.515 2.354 20 10 FECDHN COc1ccc(CN[C@@H]2CON(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000897005349 689961935 /nfs/dbraw/zinc/96/19/35/689961935.db2.gz VLFJZLZHEZFGNG-LBPRGKRZSA-N 0 3 354.403 2.050 20 10 FECDHN CCC[C@H](CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098515 690303176 /nfs/dbraw/zinc/30/31/76/690303176.db2.gz PFFPHYZCRUGOCU-SJLPKXTDSA-N 0 3 350.507 2.206 20 10 FECDHN CC[C@H](C[C@H](C)O)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099158 690303905 /nfs/dbraw/zinc/30/39/05/690303905.db2.gz WFCDHUCKLNDSFE-YXJHDRRASA-N 0 3 350.507 2.204 20 10 FECDHN CO[C@H](C)c1noc(CN2CCCN(Cc3cc(C)ccc3O)CC2)n1 ZINC000091867769 542829061 /nfs/dbraw/zinc/82/90/61/542829061.db2.gz WFIMMLQEUAEVNA-OAHLLOKOSA-N 0 3 360.458 2.499 20 10 FECDHN CCN(CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000102069364 543059264 /nfs/dbraw/zinc/05/92/64/543059264.db2.gz BWSKWTPKIGQPSB-UHFFFAOYSA-N 0 3 360.502 2.149 20 10 FECDHN CC1CCN(c2ccc(CNC(=O)NC[C@@](C)(O)CN(C)C)cc2)CC1 ZINC000126118172 543918930 /nfs/dbraw/zinc/91/89/30/543918930.db2.gz JMBAZTBOFHHVHS-HXUWFJFHSA-N 0 3 362.518 2.035 20 10 FECDHN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000127840669 544017155 /nfs/dbraw/zinc/01/71/55/544017155.db2.gz KWZWSWBXNJCHNH-WMZOPIPTSA-N 0 3 372.513 2.290 20 10 FECDHN COc1ccc(N2CCCN(C(=O)NC[C@@H](C)N(C)C3CC3)CC2)cc1 ZINC000171695516 546219145 /nfs/dbraw/zinc/21/91/45/546219145.db2.gz YPYVTUPXPVBYEW-MRXNPFEDSA-N 0 3 360.502 2.400 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000182346695 547476137 /nfs/dbraw/zinc/47/61/37/547476137.db2.gz YYNRFSOYRMIIJY-CRAIPNDOSA-N 0 3 356.466 2.471 20 10 FECDHN CC[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccccc1[O-] ZINC000185207860 547952231 /nfs/dbraw/zinc/95/22/31/547952231.db2.gz SSTBOYJXIUFVSP-GOSISDBHSA-N 0 3 355.486 2.435 20 10 FECDHN CCOc1ccc(O)c(CNCc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000237052448 548796805 /nfs/dbraw/zinc/79/68/05/548796805.db2.gz IBVDTSGMDNTATJ-UHFFFAOYSA-N 0 3 364.467 2.331 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000264572347 549998447 /nfs/dbraw/zinc/99/84/47/549998447.db2.gz HVAOLXKYTBCTRC-HXUWFJFHSA-N 0 3 358.530 2.271 20 10 FECDHN CC(C)N1CCC(O)(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000268452885 550068713 /nfs/dbraw/zinc/06/87/13/550068713.db2.gz WRGNQFSKNXYDCP-UHFFFAOYSA-N 0 3 357.838 2.279 20 10 FECDHN N[C@H](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000269472840 550199781 /nfs/dbraw/zinc/19/97/81/550199781.db2.gz BWOUJIHEQAMLRV-LJQANCHMSA-N 0 3 371.456 2.493 20 10 FECDHN CSCC[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000272326960 550437782 /nfs/dbraw/zinc/43/77/82/550437782.db2.gz MDPRPWUEQBDAOG-IOASZLSFSA-N 0 3 369.506 2.136 20 10 FECDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1[O-] ZINC000272456180 550450077 /nfs/dbraw/zinc/45/00/77/550450077.db2.gz XEXJLSQPEMCPBK-HOCLYGCPSA-N 0 3 359.875 2.180 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@](C)(OC)CC1)cc2=O ZINC000280572753 551009040 /nfs/dbraw/zinc/00/90/40/551009040.db2.gz SDJATWKKKYBQJI-SFHVURJKSA-N 0 3 362.430 2.003 20 10 FECDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1OC ZINC000282845193 551276960 /nfs/dbraw/zinc/27/69/60/551276960.db2.gz DAKBVFQNZVSZQP-SCLBCKFNSA-N 0 3 351.443 2.067 20 10 FECDHN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000283992204 551463737 /nfs/dbraw/zinc/46/37/37/551463737.db2.gz JPHDHOSODPNFSS-LPHOPBHVSA-N 0 3 374.529 2.090 20 10 FECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCn2cc(CO)nn2)c1[O-] ZINC000289922782 552400526 /nfs/dbraw/zinc/40/05/26/552400526.db2.gz VANQPDHMUNIHCB-LLVKDONJSA-N 0 3 369.263 2.288 20 10 FECDHN COCc1cc(CNCCCN2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000298257870 553404912 /nfs/dbraw/zinc/40/49/12/553404912.db2.gz FGEHYEGGGCGCDP-UHFFFAOYSA-N 0 3 374.485 2.132 20 10 FECDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000298784089 553472329 /nfs/dbraw/zinc/47/23/29/553472329.db2.gz RPKYSPYXLWPSOH-UHFFFAOYSA-N 0 3 361.486 2.074 20 10 FECDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@@H]1COc2ccccc21 ZINC000361734479 554931785 /nfs/dbraw/zinc/93/17/85/554931785.db2.gz QYJKMUQITIZUBI-MRXNPFEDSA-N 0 3 355.413 2.028 20 10 FECDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNCc1ccc2c(c1)CCO2 ZINC000363535504 555130640 /nfs/dbraw/zinc/13/06/40/555130640.db2.gz SIQFSHHHRRBABY-UHFFFAOYSA-N 0 3 369.513 2.095 20 10 FECDHN O=C(/C=C/c1ccc(O)c(O)c1)NC1CCN(CCc2ccncc2)CC1 ZINC000367927793 556174274 /nfs/dbraw/zinc/17/42/74/556174274.db2.gz JWEQZMRWUVTHDN-DUXPYHPUSA-N 0 3 367.449 2.329 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1[O-] ZINC000368200546 556247016 /nfs/dbraw/zinc/24/70/16/556247016.db2.gz PPOKOQKZKSYNAK-AWEZNQCLSA-N 0 3 363.477 2.334 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000368335653 556280598 /nfs/dbraw/zinc/28/05/98/556280598.db2.gz ZLCBJGDOYCHFCA-OAHLLOKOSA-N 0 3 361.486 2.138 20 10 FECDHN Cc1nccc(CN2CCC[C@H](NCc3ccc(N(C)C)cc3)C2=O)n1 ZINC000373367732 557680254 /nfs/dbraw/zinc/68/02/54/557680254.db2.gz BBZSPGDJRPDVDL-IBGZPJMESA-N 0 3 353.470 2.132 20 10 FECDHN C[NH+](C)C/C=C/C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000378298688 558523662 /nfs/dbraw/zinc/52/36/62/558523662.db2.gz IAZKNOAUKHBGHN-NBUZRDOWSA-N 0 3 351.878 2.244 20 10 FECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1OC ZINC000378440243 558558088 /nfs/dbraw/zinc/55/80/88/558558088.db2.gz AQOMWJUTFFFGQW-HZPDHXFCSA-N 0 3 361.442 2.231 20 10 FECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1OC ZINC000378440243 558558091 /nfs/dbraw/zinc/55/80/91/558558091.db2.gz AQOMWJUTFFFGQW-HZPDHXFCSA-N 0 3 361.442 2.231 20 10 FECDHN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnn(CCN2CCCCC2)c1 ZINC000378541534 558578911 /nfs/dbraw/zinc/57/89/11/558578911.db2.gz WHBBSPRNNXGYNS-FNORWQNLSA-N 0 3 356.426 2.432 20 10 FECDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000472280596 561023065 /nfs/dbraw/zinc/02/30/65/561023065.db2.gz AAFAXCVNMGFKAS-QGZVFWFLSA-N 0 3 372.513 2.379 20 10 FECDHN Fc1cc(CN2CCC(C3OCCO3)CC2)ccc1N1CCOCC1 ZINC000130082667 672070348 /nfs/dbraw/zinc/07/03/48/672070348.db2.gz LBSBQBPXQWVMDB-UHFFFAOYSA-N 0 3 350.434 2.247 20 10 FECDHN O=S1(=O)CCCN1c1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000185857349 672535737 /nfs/dbraw/zinc/53/57/37/672535737.db2.gz WTAQDYGHGJAKJR-UHFFFAOYSA-N 0 3 358.463 2.451 20 10 FECDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCCN2CCO)c1[O-] ZINC000824583759 675612127 /nfs/dbraw/zinc/61/21/27/675612127.db2.gz QBGHQFFKKSKPEK-HNNXBMFYSA-N 0 3 357.292 2.400 20 10 FECDHN CCOc1cccc(CNCc2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000824739320 675619636 /nfs/dbraw/zinc/61/96/36/675619636.db2.gz YDBATXWLAQDYNN-UHFFFAOYSA-N 0 3 364.467 2.331 20 10 FECDHN Cc1cc([O-])c(C[NH2+]C2CCN(CCC(=O)N(C)C)CC2)cc1Cl ZINC000825222577 675642558 /nfs/dbraw/zinc/64/25/58/675642558.db2.gz JVLJJUXTLSNBDX-UHFFFAOYSA-N 0 3 353.894 2.386 20 10 FECDHN CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1cc(F)ccc1[O-])CO2 ZINC000827067322 675726785 /nfs/dbraw/zinc/72/67/85/675726785.db2.gz ZXBGQSPOGLZXLU-AWEZNQCLSA-N 0 3 352.406 2.399 20 10 FECDHN Cc1ccc(S(=O)(=O)NCCNCc2ccc(N(C)C)cc2C)cc1 ZINC000840932347 680854496 /nfs/dbraw/zinc/85/44/96/680854496.db2.gz FCKXVMBZPNGCDX-UHFFFAOYSA-N 0 3 361.511 2.438 20 10 FECDHN O=C(NC[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000843057552 680985060 /nfs/dbraw/zinc/98/50/60/680985060.db2.gz JYYILFANXVILJD-LRDDRELGSA-N 0 3 369.868 2.265 20 10 FECDHN O=C(NC[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1)[C@@H]1CCC[NH2+]1 ZINC000843058323 680985127 /nfs/dbraw/zinc/98/51/27/680985127.db2.gz RQAVQZRAFVVKCN-WFASDCNBSA-N 0 3 369.868 2.265 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC(CO)([NH2+]CC3CC3)CC2)c1[O-] ZINC000844334991 681052545 /nfs/dbraw/zinc/05/25/45/681052545.db2.gz NSEVLPNNKXCORR-UHFFFAOYSA-N 0 3 350.434 2.060 20 10 FECDHN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCN2CCC1CC2 ZINC000790675302 682694674 /nfs/dbraw/zinc/69/46/74/682694674.db2.gz YXEAAFLGSJFRKS-UHFFFAOYSA-N 0 3 360.527 2.229 20 10 FECDHN COc1cc(Br)cc([C@@H](C)N[C@H](C)C(=O)N(C)OC)c1O ZINC000858589179 682982490 /nfs/dbraw/zinc/98/24/90/682982490.db2.gz ZXTSJFWSFQHCDI-RKDXNWHRSA-N 0 3 361.236 2.222 20 10 FECDHN O=C1CC[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCN1 ZINC000873049330 685059740 /nfs/dbraw/zinc/05/97/40/685059740.db2.gz GBQQRFVQNFLEGX-CVEARBPZSA-N 0 3 351.878 2.268 20 10 FECDHN CN(C)c1ccc([C@@H](N)CNC(=O)c2ccc(P(C)(C)=O)cc2)cc1 ZINC000911668235 685241268 /nfs/dbraw/zinc/24/12/68/685241268.db2.gz WVWBZUWNNQDCBJ-SFHVURJKSA-N 0 3 359.410 2.430 20 10 FECDHN O[C@H](CNCc1ccc(N2CCOCC2)cc1)C(F)(F)C(F)(F)F ZINC000883366464 687615517 /nfs/dbraw/zinc/61/55/17/687615517.db2.gz UDTNBYFZBKIFAH-CYBMUJFWSA-N 0 3 354.319 2.171 20 10 FECDHN COC(=O)[C@@H]1[C@@H](CN[C@@H](C)c2ccc(N3CCOCC3)cc2)C1(F)F ZINC000894208790 689487137 /nfs/dbraw/zinc/48/71/37/689487137.db2.gz LNSJKAUMTBNFKD-MAZHCROVSA-N 0 3 354.397 2.228 20 10 FECDHN COC(=O)c1c(CN[C@@H](C)[C@H](CO)SC)c2cc(F)ccc2n1C ZINC000894279813 689499594 /nfs/dbraw/zinc/49/95/94/689499594.db2.gz AJVRPEKXTWROQY-BONVTDFDSA-N 0 3 354.447 2.306 20 10 FECDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000093613643 542936533 /nfs/dbraw/zinc/93/65/33/542936533.db2.gz LYNHQVCQFKCGGR-WOJBJXKFSA-N 0 3 360.498 2.275 20 10 FECDHN O=C([C@@H]1COc2ccccc2O1)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000111394583 543400424 /nfs/dbraw/zinc/40/04/24/543400424.db2.gz YGYREBOORAKCBP-FQEVSTJZSA-N 0 3 368.433 2.313 20 10 FECDHN O=S(=O)(Cc1ccccc1)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000117948292 543642645 /nfs/dbraw/zinc/64/26/45/543642645.db2.gz QHKXDVBXZWKNTM-UHFFFAOYSA-N 0 3 360.479 2.476 20 10 FECDHN CN(C)CCNC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000133526195 544273490 /nfs/dbraw/zinc/27/34/90/544273490.db2.gz IIVNVGIXPOTONJ-UHFFFAOYSA-N 0 3 374.407 2.415 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000182346676 547475957 /nfs/dbraw/zinc/47/59/57/547475957.db2.gz YYNRFSOYRMIIJY-MAUKXSAKSA-N 0 3 356.466 2.471 20 10 FECDHN C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1cc(F)ccc1[O-] ZINC000185161508 547944192 /nfs/dbraw/zinc/94/41/92/547944192.db2.gz PAKCHIMVQHTGNK-CYBMUJFWSA-N 0 3 352.431 2.302 20 10 FECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c([O-])c1 ZINC000186159008 548092680 /nfs/dbraw/zinc/09/26/80/548092680.db2.gz RXMIMLQDRVOZQU-CHWSQXEVSA-N 0 3 355.481 2.248 20 10 FECDHN O=C1[C@@H](NCc2cc3c(cc2O)OCO3)CCN1Cc1ccc(F)cc1 ZINC000191758593 548350186 /nfs/dbraw/zinc/35/01/86/548350186.db2.gz CTMOWCQWODEBAB-HNNXBMFYSA-N 0 3 358.369 2.151 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246503721 549148910 /nfs/dbraw/zinc/14/89/10/549148910.db2.gz HVGDNNVRYWKKCO-GHTZIAJQSA-N 0 3 370.541 2.318 20 10 FECDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1cccc(OC)c1O ZINC000266155339 550017882 /nfs/dbraw/zinc/01/78/82/550017882.db2.gz LUBLNVLWIFTWEC-KRWDZBQOSA-N 0 3 353.422 2.329 20 10 FECDHN CCOc1cccc(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c1[O-] ZINC000271136153 550343916 /nfs/dbraw/zinc/34/39/16/550343916.db2.gz MRKPFHVBQNZHHX-ZBFHGGJFSA-N 0 3 350.459 2.154 20 10 FECDHN CCOc1cccc(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c1[O-] ZINC000271136153 550343918 /nfs/dbraw/zinc/34/39/18/550343918.db2.gz MRKPFHVBQNZHHX-ZBFHGGJFSA-N 0 3 350.459 2.154 20 10 FECDHN C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000273582426 550504075 /nfs/dbraw/zinc/50/40/75/550504075.db2.gz MYFOITIWUYSPEV-HNNXBMFYSA-N 0 3 359.514 2.474 20 10 FECDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273585280 550504397 /nfs/dbraw/zinc/50/43/97/550504397.db2.gz NSOZJSHHMIXVSJ-CVEARBPZSA-N 0 3 363.502 2.103 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CC[C@](O)(c3cn(C(C)C)nn3)C2)c([O-])c1 ZINC000285521209 551769223 /nfs/dbraw/zinc/76/92/23/551769223.db2.gz OKIOWUXGHGOXDC-LJQANCHMSA-N 0 3 360.458 2.447 20 10 FECDHN CCCOc1ccc(C[N@H+]2CC[C@](O)(c3cn(C(C)C)nn3)C2)c([O-])c1 ZINC000285521209 551769225 /nfs/dbraw/zinc/76/92/25/551769225.db2.gz OKIOWUXGHGOXDC-LJQANCHMSA-N 0 3 360.458 2.447 20 10 FECDHN CO[C@@H]1[C@H]2C[C@H]3CN(CC(=O)N(C)Cc4ccc(N(C)C)cc4)[C@H]1[C@H]3C2 ZINC000286569068 551901120 /nfs/dbraw/zinc/90/11/20/551901120.db2.gz PNWSAZCRQZQITH-AJPPRCLOSA-N 0 3 357.498 2.066 20 10 FECDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000290649835 552512804 /nfs/dbraw/zinc/51/28/04/552512804.db2.gz ZASWMVZWTUNSES-NSHDSACASA-N 0 3 362.289 2.378 20 10 FECDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1CCCO1 ZINC000293013111 552780419 /nfs/dbraw/zinc/78/04/19/552780419.db2.gz UPMXMQBXOURLDM-HUUCEWRRSA-N 0 3 363.376 2.313 20 10 FECDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1CCCO1 ZINC000293013111 552780421 /nfs/dbraw/zinc/78/04/21/552780421.db2.gz UPMXMQBXOURLDM-HUUCEWRRSA-N 0 3 363.376 2.313 20 10 FECDHN Cc1cc(C(=O)Nc2ccnn2CCN(C)C)c(C)n1-c1ccccn1 ZINC000294171127 552887269 /nfs/dbraw/zinc/88/72/69/552887269.db2.gz SONIDWMRQKVQBU-UHFFFAOYSA-N 0 3 352.442 2.500 20 10 FECDHN CN(C)C/C=C/C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000365396303 555563981 /nfs/dbraw/zinc/56/39/81/555563981.db2.gz CKSLZWQCDOJDBB-ONEGZZNKSA-N 0 3 353.413 2.491 20 10 FECDHN O=C(CC[NH2+]Cc1cc2c(cc1[O-])OCO2)N1CCOc2ccccc2C1 ZINC000369228086 556541962 /nfs/dbraw/zinc/54/19/62/556541962.db2.gz CYOKULVAHIRNKZ-UHFFFAOYSA-N 0 3 370.405 2.022 20 10 FECDHN Cc1cc([O-])c(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)cc1C ZINC000371089198 557071921 /nfs/dbraw/zinc/07/19/21/557071921.db2.gz PQUXSDAHQXUEGO-UHFFFAOYSA-N 0 3 352.500 2.445 20 10 FECDHN CCOc1cccc(CN2CCC(CC(=O)N3CCOCC3)CC2)c1O ZINC000372413871 557464699 /nfs/dbraw/zinc/46/46/99/557464699.db2.gz ROCGIURROQQGJZ-UHFFFAOYSA-N 0 3 362.470 2.252 20 10 FECDHN CCOc1cccc(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)c1[O-] ZINC000372413871 557464702 /nfs/dbraw/zinc/46/47/02/557464702.db2.gz ROCGIURROQQGJZ-UHFFFAOYSA-N 0 3 362.470 2.252 20 10 FECDHN Cc1cc(C(=O)N2CCCN([C@@H](C)CO)CC2)c(C)n1-c1ccccn1 ZINC000372712513 557544718 /nfs/dbraw/zinc/54/47/18/557544718.db2.gz HPJXKNMXDKPCOM-INIZCTEOSA-N 0 3 356.470 2.018 20 10 FECDHN COc1cccc(CN2CCCC[C@H]2COC(=O)N2CCOCC2)c1O ZINC000377691199 558398139 /nfs/dbraw/zinc/39/81/39/558398139.db2.gz FCFVCFQREJLQET-INIZCTEOSA-N 0 3 364.442 2.224 20 10 FECDHN O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000377863314 558437178 /nfs/dbraw/zinc/43/71/78/558437178.db2.gz FIICMCQCGWYHRF-HNNXBMFYSA-N 0 3 350.415 2.084 20 10 FECDHN Cc1c2ccccc2n(C)c1CNC(=O)NC1CCN(CCN(C)C)CC1 ZINC000471613530 561008800 /nfs/dbraw/zinc/00/88/00/561008800.db2.gz QVZUXGXBBNWAAT-UHFFFAOYSA-N 0 3 371.529 2.312 20 10 FECDHN [O-]c1ccccc1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738400870 598275739 /nfs/dbraw/zinc/27/57/39/598275739.db2.gz MPTXRMHAVVFTMD-UHFFFAOYSA-N 0 3 350.426 2.331 20 10 FECDHN CS(=O)(=O)CCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000729680609 673243374 /nfs/dbraw/zinc/24/33/74/673243374.db2.gz FNNDHYWOFVJULW-UHFFFAOYSA-N 0 3 355.460 2.109 20 10 FECDHN CN(CCN1CCN(C(=O)C2=CC(=O)CS2)CC1)Cc1ccccc1 ZINC000732286743 673361874 /nfs/dbraw/zinc/36/18/74/673361874.db2.gz ISHHXELLIXMGJW-UHFFFAOYSA-N 0 3 359.495 2.344 20 10 FECDHN CCS(=O)(=O)CCN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120083 675262567 /nfs/dbraw/zinc/26/25/67/675262567.db2.gz KHRFRSGEDPEKSW-CYBMUJFWSA-N 0 3 362.442 2.281 20 10 FECDHN Cc1cc(O)c(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1Cl ZINC000824905776 675628420 /nfs/dbraw/zinc/62/84/20/675628420.db2.gz COTCQAUSXNFJJN-MRXNPFEDSA-N 0 3 351.878 2.092 20 10 FECDHN Cc1cc([O-])c(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)cc1Cl ZINC000826097334 675681808 /nfs/dbraw/zinc/68/18/08/675681808.db2.gz YUDPSLXHDPTCKH-HNNXBMFYSA-N 0 3 351.878 2.140 20 10 FECDHN CN(C)c1ccc(CNCc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000840876881 680848755 /nfs/dbraw/zinc/84/87/55/680848755.db2.gz QFTHPSOYBLUSAD-UHFFFAOYSA-N 0 3 353.875 2.343 20 10 FECDHN O=CN1CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000774193114 681172309 /nfs/dbraw/zinc/17/23/09/681172309.db2.gz SUAJOFWRAOTCMC-QGZVFWFLSA-N 0 3 351.878 2.220 20 10 FECDHN C[C@@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000846182203 681196798 /nfs/dbraw/zinc/19/67/98/681196798.db2.gz AIMYHOCSTGJFFM-NVXWUHKLSA-N 0 3 351.516 2.361 20 10 FECDHN CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774859071 681242354 /nfs/dbraw/zinc/24/23/54/681242354.db2.gz SCOREKRHKYYUGU-CQSZACIVSA-N 0 3 351.403 2.142 20 10 FECDHN CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774859071 681242355 /nfs/dbraw/zinc/24/23/55/681242355.db2.gz SCOREKRHKYYUGU-CQSZACIVSA-N 0 3 351.403 2.142 20 10 FECDHN COCC[C@@]1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCOC1 ZINC000775031683 681269462 /nfs/dbraw/zinc/26/94/62/681269462.db2.gz DMMXXJQERGYHEA-OAHLLOKOSA-N 0 3 360.248 2.449 20 10 FECDHN COCC[N@H+](CCC(=O)OC)Cc1cc(Br)cc(C)c1[O-] ZINC000775699529 681325397 /nfs/dbraw/zinc/32/53/97/681325397.db2.gz GJLBLMIIHHOOFL-UHFFFAOYSA-N 0 3 360.248 2.475 20 10 FECDHN COCC[N@@H+](CCC(=O)OC)Cc1cc(Br)cc(C)c1[O-] ZINC000775699529 681325401 /nfs/dbraw/zinc/32/54/01/681325401.db2.gz GJLBLMIIHHOOFL-UHFFFAOYSA-N 0 3 360.248 2.475 20 10 FECDHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850566193 681917423 /nfs/dbraw/zinc/91/74/23/681917423.db2.gz LMHNLAAUHSDGFB-RTBURBONSA-N 0 3 366.527 2.093 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H]2CNC(=O)C2)c1[O-] ZINC000926975900 683192606 /nfs/dbraw/zinc/19/26/06/683192606.db2.gz BHFFHSOUICCZDV-NXEZZACHSA-N 0 3 357.248 2.340 20 10 FECDHN C[C@@H](N[C@H](C)c1ccccc1O)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000879648229 686879665 /nfs/dbraw/zinc/87/96/65/686879665.db2.gz FUXNGUMIHICVKZ-CHWSQXEVSA-N 0 3 362.451 2.474 20 10 FECDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)Nc1ccccc1S(C)(=O)=O ZINC000879648229 686879672 /nfs/dbraw/zinc/87/96/72/686879672.db2.gz FUXNGUMIHICVKZ-CHWSQXEVSA-N 0 3 362.451 2.474 20 10 FECDHN CC(C)[C@@H](CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102479 690304461 /nfs/dbraw/zinc/30/44/61/690304461.db2.gz PUUAKHDOGAPSLO-QZTJIDSGSA-N 0 3 350.507 2.062 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C2CC(CC(N)=O)C2)c1[O-] ZINC000903253062 690875972 /nfs/dbraw/zinc/87/59/72/690875972.db2.gz HZLRHSHOOXEILJ-SILCLGDVSA-N 0 3 357.248 2.468 20 10 FECDHN CCCN(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1O ZINC000068973625 541645934 /nfs/dbraw/zinc/64/59/34/541645934.db2.gz JILRSLJXBZWBMU-UHFFFAOYSA-N 0 3 362.470 2.406 20 10 FECDHN Cc1cc(C(=O)NCC2(O)CCN(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000080880090 542612018 /nfs/dbraw/zinc/61/20/18/542612018.db2.gz HRQBMQRXZHFADB-UHFFFAOYSA-N 0 3 359.445 2.420 20 10 FECDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000091312998 542804703 /nfs/dbraw/zinc/80/47/03/542804703.db2.gz WUYGZWFAGAPJJL-LBPRGKRZSA-N 0 3 351.447 2.390 20 10 FECDHN C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000802660125 674190664 /nfs/dbraw/zinc/19/06/64/674190664.db2.gz BTLBNINSBFCQCE-ZDUSSCGKSA-N 0 3 352.431 2.378 20 10 FECDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000121152546 543690074 /nfs/dbraw/zinc/69/00/74/543690074.db2.gz PAIFARKDSXDWPD-ARGQNCHBSA-N 0 3 357.498 2.335 20 10 FECDHN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCN(C2CC2)C1 ZINC000805183095 674324763 /nfs/dbraw/zinc/32/47/63/674324763.db2.gz CBCGVEIPWGYEIY-GFCCVEGCSA-N 0 3 354.248 2.191 20 10 FECDHN COCCCN1CCC(NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000171209309 546196947 /nfs/dbraw/zinc/19/69/47/546196947.db2.gz IHMKQUCXMRWVSO-UHFFFAOYSA-N 0 3 362.518 2.395 20 10 FECDHN COCCN(C)CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000171214205 546198094 /nfs/dbraw/zinc/19/80/94/546198094.db2.gz YDBCPIBXPHIRFE-UHFFFAOYSA-N 0 3 362.518 2.397 20 10 FECDHN COc1cc(Cl)cc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1[O-] ZINC000184710063 547868889 /nfs/dbraw/zinc/86/88/89/547868889.db2.gz UNFOBXXGQOYOGK-UHFFFAOYSA-N 0 3 374.890 2.100 20 10 FECDHN Cc1cccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1[O-] ZINC000184977410 547910257 /nfs/dbraw/zinc/91/02/57/547910257.db2.gz REIUDVCCONQGPV-LJQANCHMSA-N 0 3 354.450 2.260 20 10 FECDHN Cc1cccc(CN[C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1O ZINC000184977410 547910260 /nfs/dbraw/zinc/91/02/60/547910260.db2.gz REIUDVCCONQGPV-LJQANCHMSA-N 0 3 354.450 2.260 20 10 FECDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1[nH]nc2c1CNCC2 ZINC000188181724 548273653 /nfs/dbraw/zinc/27/36/53/548273653.db2.gz VZGLNRKIUVMNJZ-UHFFFAOYSA-N 0 3 353.470 2.318 20 10 FECDHN COCc1noc(CN2CCN(Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000188896890 548289549 /nfs/dbraw/zinc/28/95/49/548289549.db2.gz RGDOPZUXAYUZHI-UHFFFAOYSA-N 0 3 368.437 2.393 20 10 FECDHN CCOc1ccc(O)c(CN[C@@H]2CCCN(c3ccnn3CC)C2=O)c1 ZINC000191641046 548347531 /nfs/dbraw/zinc/34/75/31/548347531.db2.gz NNOQQEXYLRFVEA-MRXNPFEDSA-N 0 3 358.442 2.293 20 10 FECDHN COc1ccc(N2CCN(CCCN[C@H](C)c3ccnn3C)CC2)cc1 ZINC000192619192 548367005 /nfs/dbraw/zinc/36/70/05/548367005.db2.gz DGODRJXIYPWDRZ-QGZVFWFLSA-N 0 3 357.502 2.292 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246503726 549149149 /nfs/dbraw/zinc/14/91/49/549149149.db2.gz HVGDNNVRYWKKCO-RXVVDRJESA-N 0 3 370.541 2.318 20 10 FECDHN C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1C ZINC000266765818 550023968 /nfs/dbraw/zinc/02/39/68/550023968.db2.gz PSLNMKPKVKADQZ-VQIMIIECSA-N 0 3 360.502 2.147 20 10 FECDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)c1 ZINC000271115796 550341745 /nfs/dbraw/zinc/34/17/45/550341745.db2.gz BOVLQJNXONOCGB-HUUCEWRRSA-N 0 3 350.459 2.154 20 10 FECDHN CCOc1ccc([O-])c(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)c1 ZINC000271115796 550341746 /nfs/dbraw/zinc/34/17/46/550341746.db2.gz BOVLQJNXONOCGB-HUUCEWRRSA-N 0 3 350.459 2.154 20 10 FECDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272296239 550435758 /nfs/dbraw/zinc/43/57/58/550435758.db2.gz GCAAFABUJVIRKH-NUXNZHGMSA-N 0 3 351.466 2.429 20 10 FECDHN CCOC(=O)c1csc(CC[NH2+]Cc2cc(OC)c(OC)cc2[O-])n1 ZINC000276267998 550577846 /nfs/dbraw/zinc/57/78/46/550577846.db2.gz XPESJEUDTDOHKN-UHFFFAOYSA-N 0 3 366.439 2.375 20 10 FECDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1OC ZINC000282845197 551277056 /nfs/dbraw/zinc/27/70/56/551277056.db2.gz DAKBVFQNZVSZQP-UGSOOPFHSA-N 0 3 351.443 2.067 20 10 FECDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCCn1cc(CO)nn1 ZINC000291441508 552624700 /nfs/dbraw/zinc/62/47/00/552624700.db2.gz BXXMMZVDXVJMHB-UHFFFAOYSA-N 0 3 368.437 2.235 20 10 FECDHN COC1CCN(c2ccc(CN3CCN(C[C@@H](C)O)C[C@@H]3C)cc2)CC1 ZINC000295653047 553039539 /nfs/dbraw/zinc/03/95/39/553039539.db2.gz DEYQDVHEPVTABK-ZWKOTPCHSA-N 0 3 361.530 2.189 20 10 FECDHN C[C@H](CO)[C@H](C)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000295711409 553048003 /nfs/dbraw/zinc/04/80/03/553048003.db2.gz KEKMUHABXRNYPE-OLZOCXBDSA-N 0 3 366.417 2.007 20 10 FECDHN COc1ccc(N2CCN(CCCN[C@H]3CCn4ccnc43)CC2)cc1 ZINC000296158392 553114396 /nfs/dbraw/zinc/11/43/96/553114396.db2.gz XCHHPGWOSDIHCQ-IBGZPJMESA-N 0 3 355.486 2.138 20 10 FECDHN C[C@H](NC[C@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000296417502 553156518 /nfs/dbraw/zinc/15/65/18/553156518.db2.gz LEIROULWIMUALB-QFBILLFUSA-N 0 3 366.527 2.267 20 10 FECDHN CN1CCCc2cc(CNC(=O)[C@]3(N)[C@@H]4CCCO[C@H]4C3(C)C)ccc21 ZINC000364200778 555268295 /nfs/dbraw/zinc/26/82/95/555268295.db2.gz LAKWHVGKKVKTBH-HGHGUNKESA-N 0 3 357.498 2.218 20 10 FECDHN Cc1cccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1[O-] ZINC000375557473 558047888 /nfs/dbraw/zinc/04/78/88/558047888.db2.gz LLCJNDOQOLJUKU-OAHLLOKOSA-N 0 3 356.470 2.388 20 10 FECDHN C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000376162783 558135226 /nfs/dbraw/zinc/13/52/26/558135226.db2.gz OOFQRDMRVMTPDX-MJEZEWASSA-N 0 3 357.498 2.308 20 10 FECDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000525925209 562259859 /nfs/dbraw/zinc/25/98/59/562259859.db2.gz GFDIEWVSJYIKBC-MRXNPFEDSA-N 0 3 371.529 2.312 20 10 FECDHN COc1cc(Br)cc(CNCCS(=O)(=O)C(C)C)c1O ZINC000809791152 674510192 /nfs/dbraw/zinc/51/01/92/674510192.db2.gz UNJHDYYBVDLFFH-UHFFFAOYSA-N 0 3 366.277 2.076 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CCN2CCOC(C)(C)C2)c1[O-] ZINC000171766530 672335473 /nfs/dbraw/zinc/33/54/73/672335473.db2.gz DZKSWSGDDSFYIM-UHFFFAOYSA-N 0 3 373.291 2.364 20 10 FECDHN C[C@@H]1CN(Cc2ccc(Br)cc2[O-])CC[N@@H+]1CC(C)(C)O ZINC000825628729 675661686 /nfs/dbraw/zinc/66/16/86/675661686.db2.gz GWVAPXLSMGGEDR-GFCCVEGCSA-N 0 3 357.292 2.432 20 10 FECDHN C[C@@H]1CN(Cc2ccc(Br)cc2[O-])CC[N@H+]1CC(C)(C)O ZINC000825628729 675661687 /nfs/dbraw/zinc/66/16/87/675661687.db2.gz GWVAPXLSMGGEDR-GFCCVEGCSA-N 0 3 357.292 2.432 20 10 FECDHN C[C@@H](C1=CCN(C)CC1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762314656 680747359 /nfs/dbraw/zinc/74/73/59/680747359.db2.gz DKKFRPPSARFMGI-LBPRGKRZSA-N 0 3 363.845 2.460 20 10 FECDHN Cc1cc(N(C)C)ccc1CN1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000840942755 680855270 /nfs/dbraw/zinc/85/52/70/680855270.db2.gz CNCUEOKREMQOSI-UHFFFAOYSA-N 0 3 365.543 2.451 20 10 FECDHN C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000834891168 680280969 /nfs/dbraw/zinc/28/09/69/680280969.db2.gz QTTGJNUAJKNSBQ-RISCZKNCSA-N 0 3 357.447 2.263 20 10 FECDHN CNS(=O)(=O)c1cccc(CNC/C=C/c2ccc(N(C)C)cc2)c1 ZINC000835035968 680289157 /nfs/dbraw/zinc/28/91/57/680289157.db2.gz NAHMZBKBTJPYSF-FNORWQNLSA-N 0 3 359.495 2.464 20 10 FECDHN C[C@@](O)(C1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1)C(F)(F)F ZINC000767513900 680914781 /nfs/dbraw/zinc/91/47/81/680914781.db2.gz MQYSZFHQLFYIMM-GDBMZVCRSA-N 0 3 361.360 2.343 20 10 FECDHN CCOCCCNC(=O)C1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000768318489 680944100 /nfs/dbraw/zinc/94/41/00/680944100.db2.gz NKKVAYKLTIBAPE-UHFFFAOYSA-N 0 3 350.459 2.156 20 10 FECDHN NS(=O)(=O)c1ccc(CNCCCSc2nccs2)c(F)c1 ZINC000842683247 680959467 /nfs/dbraw/zinc/95/94/67/680959467.db2.gz IGCJKSMJENDJKN-UHFFFAOYSA-N 0 3 361.489 2.202 20 10 FECDHN CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c([O-])c1 ZINC000769003820 680967651 /nfs/dbraw/zinc/96/76/51/680967651.db2.gz GKPBBTGNFFREQN-ZBFHGGJFSA-N 0 3 350.459 2.154 20 10 FECDHN CCOc1ccc(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c([O-])c1 ZINC000769003820 680967652 /nfs/dbraw/zinc/96/76/52/680967652.db2.gz GKPBBTGNFFREQN-ZBFHGGJFSA-N 0 3 350.459 2.154 20 10 FECDHN C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000853519476 682426886 /nfs/dbraw/zinc/42/68/86/682426886.db2.gz CSAZQASWWUDZEV-OAHLLOKOSA-N 0 3 352.431 2.165 20 10 FECDHN C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000853519476 682426887 /nfs/dbraw/zinc/42/68/87/682426887.db2.gz CSAZQASWWUDZEV-OAHLLOKOSA-N 0 3 352.431 2.165 20 10 FECDHN COCCN(Cc1cc(Br)cc(OC)c1O)[C@@H]1CCOC1 ZINC000787336143 682451210 /nfs/dbraw/zinc/45/12/10/682451210.db2.gz ZJWYCVSYGBIXFI-CYBMUJFWSA-N 0 3 360.248 2.401 20 10 FECDHN CCN1CCN([C@H](C)C[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858097655 682933900 /nfs/dbraw/zinc/93/39/00/682933900.db2.gz USCVZIBHAREMNC-CYBMUJFWSA-N 0 3 356.308 2.270 20 10 FECDHN COc1ccc(N2CCN(C(=O)CN3CCSCC[C@@H]3C)CC2)cc1 ZINC000794570060 682980248 /nfs/dbraw/zinc/98/02/48/682980248.db2.gz FIPDODWSVIECAB-INIZCTEOSA-N 0 3 363.527 2.171 20 10 FECDHN CS(=O)(=O)C[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000927026846 683199646 /nfs/dbraw/zinc/19/96/46/683199646.db2.gz RCPHOYCZRARBDL-WMZOPIPTSA-N 0 3 363.479 2.061 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c1[O-] ZINC000927131749 683210763 /nfs/dbraw/zinc/21/07/63/683210763.db2.gz QRFNTQJKCJUIPV-TVQRCGJNSA-N 0 3 370.247 2.281 20 10 FECDHN C[C@@H](N[C@@H](C)C(=O)NCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000920867003 683374979 /nfs/dbraw/zinc/37/49/79/683374979.db2.gz LLOMEPNHEWTDAH-OLZOCXBDSA-N 0 3 359.392 2.241 20 10 FECDHN COc1cc(C)cc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c1O ZINC000799957622 683515229 /nfs/dbraw/zinc/51/52/29/683515229.db2.gz CVJNTUYVGBIPDU-UHFFFAOYSA-N 0 3 368.499 2.099 20 10 FECDHN COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c1[O-] ZINC000862427590 683590269 /nfs/dbraw/zinc/59/02/69/683590269.db2.gz BONNPZZEKINPSN-GFCCVEGCSA-N 0 3 357.248 2.216 20 10 FECDHN COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c1[O-] ZINC000862427590 683590273 /nfs/dbraw/zinc/59/02/73/683590273.db2.gz BONNPZZEKINPSN-GFCCVEGCSA-N 0 3 357.248 2.216 20 10 FECDHN COc1ccc2ccc(O)c(CN3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)c2c1 ZINC000872797178 685017066 /nfs/dbraw/zinc/01/70/66/685017066.db2.gz XLUIBCFARKGKMP-CABCVRRESA-N 0 3 361.463 2.421 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)c2cnn(C(F)F)c2)N(C)C)cc1 ZINC000891246992 689039486 /nfs/dbraw/zinc/03/94/86/689039486.db2.gz RFUDRIZUMZIUQA-HNNXBMFYSA-N 0 3 351.401 2.377 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)CCOCC(F)(F)F)N(C)C)cc1 ZINC000891256293 689040928 /nfs/dbraw/zinc/04/09/28/689040928.db2.gz XCVYZFLJZSTZTG-OAHLLOKOSA-N 0 3 361.408 2.441 20 10 FECDHN CCC[C@@H]1CN(Cc2ccc(OC)c(OC)c2O)CCN1CCOC ZINC000892211923 689165120 /nfs/dbraw/zinc/16/51/20/689165120.db2.gz OFMALQIATRUVKH-MRXNPFEDSA-N 0 3 352.475 2.342 20 10 FECDHN COc1cc(Cl)cc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)c1[O-] ZINC000895345168 689700202 /nfs/dbraw/zinc/70/02/02/689700202.db2.gz YAAKEZHCHGXFTK-CQSZACIVSA-N 0 3 353.850 2.434 20 10 FECDHN C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1CS(N)(=O)=O ZINC000897609805 690048449 /nfs/dbraw/zinc/04/84/49/690048449.db2.gz MPRXJWOCKPQBQU-KDOFPFPSSA-N 0 3 360.479 2.416 20 10 FECDHN C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1CS(N)(=O)=O ZINC000897609805 690048453 /nfs/dbraw/zinc/04/84/53/690048453.db2.gz MPRXJWOCKPQBQU-KDOFPFPSSA-N 0 3 360.479 2.416 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)C(C)(C)O)N(C)C)cc1 ZINC000899098872 690303911 /nfs/dbraw/zinc/30/39/11/690303911.db2.gz UGTSDCILQACNNR-INIZCTEOSA-N 0 3 350.507 2.204 20 10 FECDHN CC[C@H](C[C@@H](C)O)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099157 690303935 /nfs/dbraw/zinc/30/39/35/690303935.db2.gz WFCDHUCKLNDSFE-QGPMSJSTSA-N 0 3 350.507 2.204 20 10 FECDHN C[C@@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C[C@H](C)O ZINC000899102504 690304401 /nfs/dbraw/zinc/30/44/01/690304401.db2.gz QBAQPYKKMGUVEO-RVKKMQEKSA-N 0 3 350.507 2.062 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCN2CCCO)c1[O-] ZINC000824559832 675610243 /nfs/dbraw/zinc/61/02/43/675610243.db2.gz ZWSYZYZPIFTWTN-AWEZNQCLSA-N 0 3 373.291 2.100 20 10 FECDHN C[C@@H]1CCCN(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000054787083 540609777 /nfs/dbraw/zinc/60/97/77/540609777.db2.gz XPJSGUCPSVFVLG-QGZVFWFLSA-N 0 3 360.502 2.054 20 10 FECDHN C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(C)C1CC1 ZINC000105266638 543167525 /nfs/dbraw/zinc/16/75/25/543167525.db2.gz PATPECNSZBUWOK-INIZCTEOSA-N 0 3 360.502 2.147 20 10 FECDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c([O-])c1 ZINC000184981074 547911250 /nfs/dbraw/zinc/91/12/50/547911250.db2.gz UHWXVRSYPSCZMM-KRWDZBQOSA-N 0 3 355.486 2.354 20 10 FECDHN C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])N1CCN(C)CC1 ZINC000185362862 547975159 /nfs/dbraw/zinc/97/51/59/547975159.db2.gz SWUMTGPEZXIUPE-OLZOCXBDSA-N 0 3 356.308 2.441 20 10 FECDHN CCOc1cccc(CN[C@H]2CCCN(c3ccnn3CC)C2=O)c1O ZINC000191642453 548347389 /nfs/dbraw/zinc/34/73/89/548347389.db2.gz MJHZOQSEZFVSJP-HNNXBMFYSA-N 0 3 358.442 2.293 20 10 FECDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](CN)c1ccccc1 ZINC000237221074 548809799 /nfs/dbraw/zinc/80/97/99/548809799.db2.gz IDIRFSDCFYJRDJ-FQEVSTJZSA-N 0 3 353.466 2.224 20 10 FECDHN COc1ccc(N2CCN(C(=O)[C@H](CN)c3ccccc3)CC2)cc1F ZINC000237268040 548813564 /nfs/dbraw/zinc/81/35/64/548813564.db2.gz QXROZOCITOUTHM-QGZVFWFLSA-N 0 3 357.429 2.225 20 10 FECDHN O=C(COc1ccccc1C[NH2+]Cc1ccccc1[O-])NC[C@H]1CCCO1 ZINC000263687136 549919631 /nfs/dbraw/zinc/91/96/31/549919631.db2.gz NVTOSIADNUAFGD-GOSISDBHSA-N 0 3 370.449 2.356 20 10 FECDHN C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1C ZINC000266765808 550024093 /nfs/dbraw/zinc/02/40/93/550024093.db2.gz PSLNMKPKVKADQZ-LPHOPBHVSA-N 0 3 360.502 2.147 20 10 FECDHN CC[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)N(C)C ZINC000268865096 550124641 /nfs/dbraw/zinc/12/46/41/550124641.db2.gz ZWPYGKGRVCTTRC-JKIFEVAISA-N 0 3 351.466 2.396 20 10 FECDHN O=C(NCCCO)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271029023 550333266 /nfs/dbraw/zinc/33/32/66/550333266.db2.gz BOLNYEHVZDYDQA-UHFFFAOYSA-N 0 3 359.514 2.388 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H](CC)CSC)cc2=O ZINC000271609217 550389727 /nfs/dbraw/zinc/38/97/27/550389727.db2.gz VCHVGPBCFXWESB-GFCCVEGCSA-N 0 3 352.460 2.185 20 10 FECDHN Oc1cc2c(cc1CN1CCC(c3nnc4n3CCCC4)CC1)OCO2 ZINC000274754502 550552213 /nfs/dbraw/zinc/55/22/13/550552213.db2.gz HFQCIVPDTIUJLI-UHFFFAOYSA-N 0 3 356.426 2.428 20 10 FECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000282361224 551217270 /nfs/dbraw/zinc/21/72/70/551217270.db2.gz DIRPBTJTHZEIRU-MRXNPFEDSA-N 0 3 361.486 2.074 20 10 FECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000282361224 551217272 /nfs/dbraw/zinc/21/72/72/551217272.db2.gz DIRPBTJTHZEIRU-MRXNPFEDSA-N 0 3 361.486 2.074 20 10 FECDHN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000283992209 551463403 /nfs/dbraw/zinc/46/34/03/551463403.db2.gz JPHDHOSODPNFSS-QFBILLFUSA-N 0 3 374.529 2.090 20 10 FECDHN COc1cccc(C[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c1[O-] ZINC000284559339 551577318 /nfs/dbraw/zinc/57/73/18/551577318.db2.gz OFCLAJUKYMTDBY-DNVCBOLYSA-N 0 3 370.453 2.119 20 10 FECDHN C[C@@H](CN(C)C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000287036414 551954660 /nfs/dbraw/zinc/95/46/60/551954660.db2.gz GAOXPYLCCDICNP-KKUMJFAQSA-N 0 3 366.481 2.189 20 10 FECDHN COc1cc([O-])c(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1OC ZINC000289731895 552369529 /nfs/dbraw/zinc/36/95/29/552369529.db2.gz PVOWLEOGXVDZSD-HNNXBMFYSA-N 0 3 363.458 2.179 20 10 FECDHN COc1ccc(CN2CC[C@H]([NH2+]Cc3cc(F)ccc3[O-])C2=O)c(OC)c1 ZINC000289919280 552399544 /nfs/dbraw/zinc/39/95/44/552399544.db2.gz VQOLWDQOJGSMCP-KRWDZBQOSA-N 0 3 374.412 2.439 20 10 FECDHN CN1CCC[C@@]2(CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C2)C1 ZINC000293844993 552861847 /nfs/dbraw/zinc/86/18/47/552861847.db2.gz CUMSLAWTOXVFSO-QNBZTBGESA-N 0 3 369.509 2.481 20 10 FECDHN CCCOc1ccc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000295170320 552965911 /nfs/dbraw/zinc/96/59/11/552965911.db2.gz UFAKDQWAJUKXQJ-OAHLLOKOSA-N 0 3 368.474 2.498 20 10 FECDHN CCCOc1ccc(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000295170320 552965913 /nfs/dbraw/zinc/96/59/13/552965913.db2.gz UFAKDQWAJUKXQJ-OAHLLOKOSA-N 0 3 368.474 2.498 20 10 FECDHN CCN1CCN(c2ccc(CNCc3cn4cccnc4n3)cc2F)CC1 ZINC000298560594 553440937 /nfs/dbraw/zinc/44/09/37/553440937.db2.gz VVIBAUOUZMPHLW-UHFFFAOYSA-N 0 3 368.460 2.300 20 10 FECDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1 ZINC000363892877 555208341 /nfs/dbraw/zinc/20/83/41/555208341.db2.gz DFERIYDFOMGFGZ-FZKQIMNGSA-N 0 3 370.453 2.341 20 10 FECDHN Cc1nccc(CN2CCC[C@@H](NCc3ccc(N(C)C)c(F)c3)C2=O)n1 ZINC000363972493 555224753 /nfs/dbraw/zinc/22/47/53/555224753.db2.gz ILEXAOYQXVCXOU-GOSISDBHSA-N 0 3 371.460 2.271 20 10 FECDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000364325560 555291668 /nfs/dbraw/zinc/29/16/68/555291668.db2.gz COBPATIXUBXUDJ-GOSISDBHSA-N 0 3 371.441 2.465 20 10 FECDHN CC(C)OCCN1CCC(NC(=O)NCc2ccc3c(c2)CCN3C)CC1 ZINC000364505385 555325779 /nfs/dbraw/zinc/32/57/79/555325779.db2.gz CSTRPSWMARPBEP-UHFFFAOYSA-N 0 3 374.529 2.368 20 10 FECDHN CN1CCc2cc(CNCC(=O)N[C@H]3CCOc4ccccc43)ccc21 ZINC000367057584 556000833 /nfs/dbraw/zinc/00/08/33/556000833.db2.gz KWVCDYGMIPYFSV-SFHVURJKSA-N 0 3 351.450 2.409 20 10 FECDHN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000374514295 557893483 /nfs/dbraw/zinc/89/34/83/557893483.db2.gz NUHURSUIXOUVNZ-YJLNNSPDSA-N 0 3 361.461 2.466 20 10 FECDHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375304643 558006702 /nfs/dbraw/zinc/00/67/02/558006702.db2.gz UKCYEVQAZJRSDU-ROOHIHILSA-N 0 3 361.461 2.370 20 10 FECDHN C[NH+](C)C/C=C/C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000378298687 558523628 /nfs/dbraw/zinc/52/36/28/558523628.db2.gz IAZKNOAUKHBGHN-MQDFFIGUSA-N 0 3 351.878 2.244 20 10 FECDHN C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000378406291 558549565 /nfs/dbraw/zinc/54/95/65/558549565.db2.gz UTPSJWRAWRZQON-QRCPMIHRSA-N 0 3 361.461 2.322 20 10 FECDHN O=C(CNCc1cc(Cl)c(F)cc1[O-])NCC[NH+]1CCCCCC1 ZINC000816620572 675068938 /nfs/dbraw/zinc/06/89/38/675068938.db2.gz AWQLOVYCGDKHKU-UHFFFAOYSA-N 0 3 357.857 2.267 20 10 FECDHN O=C(CNCc1c([O-])ccc(Cl)c1F)NCC[NH+]1CCCCCC1 ZINC000816619991 675069133 /nfs/dbraw/zinc/06/91/33/675069133.db2.gz DLXHYBUXXRPLLW-UHFFFAOYSA-N 0 3 357.857 2.267 20 10 FECDHN CCN(C1CCN(Cc2cc3c(cc2O)CCC3)CC1)S(C)(=O)=O ZINC000109001350 670834980 /nfs/dbraw/zinc/83/49/80/670834980.db2.gz PTAYJKNGRPYCEM-UHFFFAOYSA-N 0 3 352.500 2.127 20 10 FECDHN CCS(=O)(=O)N(C)C1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000109001201 670835384 /nfs/dbraw/zinc/83/53/84/670835384.db2.gz UYDKFAGFGHFCSB-UHFFFAOYSA-N 0 3 352.500 2.127 20 10 FECDHN COc1cccc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000119481642 671900514 /nfs/dbraw/zinc/90/05/14/671900514.db2.gz HFIDTGCRNYNGRV-GFCCVEGCSA-N 0 3 350.440 2.241 20 10 FECDHN COc1ccc(N2CCN(C(=O)CN(C)[C@H](C)CCSC)CC2)cc1 ZINC000172432673 672341714 /nfs/dbraw/zinc/34/17/14/672341714.db2.gz GOQYZGYJCZKKOO-MRXNPFEDSA-N 0 3 365.543 2.417 20 10 FECDHN CCN1CCN(c2ccc(CNC[C@@](C)(O)C(F)(F)F)cc2F)CC1 ZINC000819033067 675254413 /nfs/dbraw/zinc/25/44/13/675254413.db2.gz LXEBQDNSEFGYHF-MRXNPFEDSA-N 0 3 363.399 2.371 20 10 FECDHN C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(Br)cc3[O-])CC2)C1 ZINC000824761672 675620642 /nfs/dbraw/zinc/62/06/42/675620642.db2.gz ILMCAJQSIAYTPF-MRXNPFEDSA-N 0 3 368.319 2.367 20 10 FECDHN C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc(Br)cc3[O-])CC2)C1 ZINC000824761672 675620644 /nfs/dbraw/zinc/62/06/44/675620644.db2.gz ILMCAJQSIAYTPF-MRXNPFEDSA-N 0 3 368.319 2.367 20 10 FECDHN Cc1cc(CN2CCC(CS(N)(=O)=O)CC2)ccc1N1CCCCC1 ZINC000828524125 675827767 /nfs/dbraw/zinc/82/77/67/675827767.db2.gz JUPSVCMZHSTJGE-UHFFFAOYSA-N 0 3 365.543 2.486 20 10 FECDHN CCN(Cc1cc(Br)ccc1O)C(=O)C(N)C(F)(F)F ZINC000830797422 677061106 /nfs/dbraw/zinc/06/11/06/677061106.db2.gz KEVGWGVHLQKWPF-SNVBAGLBSA-N 0 3 355.154 2.393 20 10 FECDHN CCS(=O)(=O)CCC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000840973979 680858056 /nfs/dbraw/zinc/85/80/56/680858056.db2.gz YSGPAMQAXRAKBQ-UHFFFAOYSA-N 0 3 366.277 2.078 20 10 FECDHN NCC(=O)N1CCC[C@H](CN2CCCc3cc(OC(F)F)ccc32)C1 ZINC000841011254 680859383 /nfs/dbraw/zinc/85/93/83/680859383.db2.gz FYVZGPHJKWYCSH-CYBMUJFWSA-N 0 3 353.413 2.238 20 10 FECDHN CN(C)c1ccc(/C=C/CNC[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000835052829 680291323 /nfs/dbraw/zinc/29/13/23/680291323.db2.gz HWNRFORQZZHOOI-DKFQHHCZSA-N 0 3 351.516 2.170 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CC2(N3CCOCC3)CC2)c1[O-] ZINC000766225488 680870881 /nfs/dbraw/zinc/87/08/81/680870881.db2.gz QWZMGRLRQBJCKP-UHFFFAOYSA-N 0 3 371.275 2.118 20 10 FECDHN CCOc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c([O-])c1 ZINC000842722613 680962237 /nfs/dbraw/zinc/96/22/37/680962237.db2.gz SDXUVZJZLKMZIS-HNNXBMFYSA-N 0 3 363.435 2.115 20 10 FECDHN Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cc(Br)ccc1[O-] ZINC000843123047 680989029 /nfs/dbraw/zinc/98/90/29/680989029.db2.gz YJIITAZEIICHHQ-ZDUSSCGKSA-N 0 3 351.248 2.035 20 10 FECDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000775373769 681301764 /nfs/dbraw/zinc/30/17/64/681301764.db2.gz WVXGUWYWEFLECQ-NXEZZACHSA-N 0 3 363.439 2.239 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1[O-] ZINC000848535216 681573296 /nfs/dbraw/zinc/57/32/96/681573296.db2.gz BMCDMGPMYQQERV-RKDXNWHRSA-N 0 3 366.277 2.247 20 10 FECDHN CN(CCNCc1ccc2c(c1)CCO2)S(=O)(=O)c1ccc(F)cc1 ZINC000797879808 683285220 /nfs/dbraw/zinc/28/52/20/683285220.db2.gz OFSYTQDEXJHXOK-UHFFFAOYSA-N 0 3 364.442 2.171 20 10 FECDHN C[N@@H+]1CCC[C@H](N2CCN(Cc3c([O-])cccc3Br)CC2)C1 ZINC000862240094 683556740 /nfs/dbraw/zinc/55/67/40/683556740.db2.gz LTOHNXKHGWNOJH-AWEZNQCLSA-N 0 3 368.319 2.367 20 10 FECDHN C[N@H+]1CCC[C@H](N2CCN(Cc3c([O-])cccc3Br)CC2)C1 ZINC000862240094 683556742 /nfs/dbraw/zinc/55/67/42/683556742.db2.gz LTOHNXKHGWNOJH-AWEZNQCLSA-N 0 3 368.319 2.367 20 10 FECDHN Cc1cccc([O-])c1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000877622362 686424236 /nfs/dbraw/zinc/42/42/36/686424236.db2.gz LVBGXGCHESBZQH-UHFFFAOYSA-N 0 3 364.243 2.378 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)NCCc2cscn2)N(C)C)cc1 ZINC000893748338 689397817 /nfs/dbraw/zinc/39/78/17/689397817.db2.gz BXULSLXKVMHKKE-QGZVFWFLSA-N 0 3 361.515 2.354 20 10 FECDHN COc1cc(C)cc(CN(CCO)CCNC(=O)OC(C)(C)C)c1O ZINC000894476308 689540144 /nfs/dbraw/zinc/54/01/44/689540144.db2.gz WWPHUDVNYBZFEE-UHFFFAOYSA-N 0 3 354.447 2.028 20 10 FECDHN C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000895797499 689772870 /nfs/dbraw/zinc/77/28/70/689772870.db2.gz HPVNKRSGZCHZMH-KDOFPFPSSA-N 0 3 361.463 2.494 20 10 FECDHN CCC[C@@H](CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098514 690303369 /nfs/dbraw/zinc/30/33/69/690303369.db2.gz PFFPHYZCRUGOCU-FUHWJXTLSA-N 0 3 350.507 2.206 20 10 FECDHN CN(C)c1ccc([C@H](CN2C(=O)N[C@@](C)(CCF)C2=O)N(C)C)cc1 ZINC000900184961 690480948 /nfs/dbraw/zinc/48/09/48/690480948.db2.gz IDAXHKPIPDEGBL-YJBOKZPZSA-N 0 3 350.438 2.025 20 10 FECDHN CC[C@@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)N(C)C ZINC000900270165 690493126 /nfs/dbraw/zinc/49/31/26/690493126.db2.gz ZWPYGKGRVCTTRC-ZQIUZPCESA-N 0 3 351.466 2.396 20 10 FECDHN COc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)c1O ZINC000073794016 542000788 /nfs/dbraw/zinc/00/07/88/542000788.db2.gz PKERAGHZIQMAPS-KRWDZBQOSA-N 0 3 357.454 2.373 20 10 FECDHN COc1ccc(N2CCC(N[C@@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000114751399 543535025 /nfs/dbraw/zinc/53/50/25/543535025.db2.gz OIZAPPYNFMYCBW-MRXNPFEDSA-N 0 3 371.403 2.417 20 10 FECDHN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000127841173 544017248 /nfs/dbraw/zinc/01/72/48/544017248.db2.gz KWZWSWBXNJCHNH-FUHWJXTLSA-N 0 3 372.513 2.290 20 10 FECDHN CCN1CCN(C(=O)CC2CC[NH+](Cc3cccc(C)c3[O-])CC2)CC1 ZINC000180073333 547047572 /nfs/dbraw/zinc/04/75/72/547047572.db2.gz NMADJHLHKHYVGK-UHFFFAOYSA-N 0 3 359.514 2.467 20 10 FECDHN COc1cc([O-])c(C[N@H+](C)CC(C)(C)CN2CCOCC2)cc1OC ZINC000180548233 547128634 /nfs/dbraw/zinc/12/86/34/547128634.db2.gz NTKJNLOZHJINNH-UHFFFAOYSA-N 0 3 352.475 2.200 20 10 FECDHN COc1cc([O-])c(C[N@@H+](C)CC(C)(C)CN2CCOCC2)cc1OC ZINC000180548233 547128636 /nfs/dbraw/zinc/12/86/36/547128636.db2.gz NTKJNLOZHJINNH-UHFFFAOYSA-N 0 3 352.475 2.200 20 10 FECDHN CC(=O)N1CCN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000263711863 549923956 /nfs/dbraw/zinc/92/39/56/549923956.db2.gz UNYMHZSTEAJVGH-UHFFFAOYSA-N 0 3 353.466 2.313 20 10 FECDHN Cc1nnc([C@@H]2CCCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)[nH]1 ZINC000268417457 550062172 /nfs/dbraw/zinc/06/21/72/550062172.db2.gz CATHCSXJPBODGU-QGZVFWFLSA-N 0 3 370.501 2.017 20 10 FECDHN CC(C)C[C@H](N)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269255129 550172973 /nfs/dbraw/zinc/17/29/73/550172973.db2.gz ROKRMVLUAAFBMP-ZQIUZPCESA-N 0 3 351.466 2.429 20 10 FECDHN O=S1(=O)CCC(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000271307420 550363342 /nfs/dbraw/zinc/36/33/42/550363342.db2.gz QGFHPNGZTREUGC-QGZVFWFLSA-N 0 3 353.484 2.198 20 10 FECDHN O=S1(=O)CCC(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000271307420 550363343 /nfs/dbraw/zinc/36/33/43/550363343.db2.gz QGFHPNGZTREUGC-QGZVFWFLSA-N 0 3 353.484 2.198 20 10 FECDHN C[C@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1=CCN(C)CC1 ZINC000273044362 550482154 /nfs/dbraw/zinc/48/21/54/550482154.db2.gz WQWXTUIPACLCLY-JZLODUJNSA-N 0 3 355.482 2.303 20 10 FECDHN C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(O)c3[O-])nc2)CC1 ZINC000280025363 550953870 /nfs/dbraw/zinc/95/38/70/550953870.db2.gz XLZQZUPIGPDMET-UHFFFAOYSA-N 0 3 356.426 2.276 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1 ZINC000284845429 551648793 /nfs/dbraw/zinc/64/87/93/551648793.db2.gz OQFYDGKAKGRNQL-KPAZRMRSSA-N 0 3 358.442 2.147 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000289360125 552307043 /nfs/dbraw/zinc/30/70/43/552307043.db2.gz IPIKTBXTGBIGTB-IRLDBZIGSA-N 0 3 366.509 2.404 20 10 FECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCN(CCCO)C2)c1[O-] ZINC000294681734 552926179 /nfs/dbraw/zinc/92/61/79/552926179.db2.gz BGFPCJCFZWMALY-OAHLLOKOSA-N 0 3 357.292 2.400 20 10 FECDHN COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4nc(=O)[n-][nH]4)C3)cc2)CC1 ZINC000295220099 552970907 /nfs/dbraw/zinc/97/09/07/552970907.db2.gz QWCCKXVEAARCNT-INIZCTEOSA-N 0 3 371.485 2.093 20 10 FECDHN COC1CCN(c2ccc(C[N@H+]3CCC[C@H](c4nc(=O)[n-][nH]4)C3)cc2)CC1 ZINC000295220099 552970908 /nfs/dbraw/zinc/97/09/08/552970908.db2.gz QWCCKXVEAARCNT-INIZCTEOSA-N 0 3 371.485 2.093 20 10 FECDHN Cc1cc(C(=O)N[C@H]2CCCN(CCCO)C2)c(C)n1-c1ccccn1 ZINC000295357955 552993222 /nfs/dbraw/zinc/99/32/22/552993222.db2.gz FOSVYRPTEBTJEA-KRWDZBQOSA-N 0 3 356.470 2.066 20 10 FECDHN CN(Cc1cccs1)c1ccc(CNCC(=O)N2CCOCC2)cc1 ZINC000295512066 553019095 /nfs/dbraw/zinc/01/90/95/553019095.db2.gz UYIUWTOPMUQYJF-UHFFFAOYSA-N 0 3 359.495 2.333 20 10 FECDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000298730202 553465004 /nfs/dbraw/zinc/46/50/04/553465004.db2.gz LNIHQRVZAHGCEK-UHFFFAOYSA-N 0 3 372.513 2.291 20 10 FECDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000365338940 555547905 /nfs/dbraw/zinc/54/79/05/555547905.db2.gz SHTRDQSZIAQXJI-NJAFHUGGSA-N 0 3 361.486 2.423 20 10 FECDHN CCc1nc(CN2C[C@@H]3C[NH+]([C@@H](C)c4cc(OC)ccc4[O-])C[C@H]3C2)no1 ZINC000368017602 556196270 /nfs/dbraw/zinc/19/62/70/556196270.db2.gz HVUZCFXKTQLQDE-RRFJBIMHSA-N 0 3 372.469 2.471 20 10 FECDHN CN(C)C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc2O1 ZINC000368033019 556199854 /nfs/dbraw/zinc/19/98/54/556199854.db2.gz BJKFCLNEEVOFNY-TUPIDYKKSA-N 0 3 354.406 2.467 20 10 FECDHN O=C1CCN(CN[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000369917933 556729751 /nfs/dbraw/zinc/72/97/51/556729751.db2.gz FXUBTBFLRIZOPW-INIZCTEOSA-N 0 3 351.878 2.222 20 10 FECDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000371554483 557220624 /nfs/dbraw/zinc/22/06/24/557220624.db2.gz QFLVPZFAXZXFEI-WESDXNOOSA-N 0 3 355.482 2.089 20 10 FECDHN COc1cccc(C[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1[O-] ZINC000377625137 558380202 /nfs/dbraw/zinc/38/02/02/558380202.db2.gz QGTJTTYUWFRHGX-HNNXBMFYSA-N 0 3 358.442 2.415 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1 ZINC000377725059 558405777 /nfs/dbraw/zinc/40/57/77/558405777.db2.gz ZGICXCBWPUZNLA-DZKIICNBSA-N 0 3 362.449 2.398 20 10 FECDHN CCOc1cccc(CN2CCCN(CC(=O)NC(C)(C)C)CC2)c1O ZINC000378332153 558531857 /nfs/dbraw/zinc/53/18/57/558531857.db2.gz AVURWSMPJQWTEU-UHFFFAOYSA-N 0 3 363.502 2.213 20 10 FECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000809705770 674506242 /nfs/dbraw/zinc/50/62/42/674506242.db2.gz ZFBSCYAYNSYLEM-SJKOYZFVSA-N 0 3 367.833 2.007 20 10 FECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000809705770 674506244 /nfs/dbraw/zinc/50/62/44/674506244.db2.gz ZFBSCYAYNSYLEM-SJKOYZFVSA-N 0 3 367.833 2.007 20 10 FECDHN O=S1(=O)CC[C@@H](CCN(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000760855661 680703399 /nfs/dbraw/zinc/70/33/99/680703399.db2.gz HAQHIHIGNNPZRR-WBVHZDCISA-N 0 3 353.484 2.198 20 10 FECDHN CNC(=O)CCOC1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761204928 680714936 /nfs/dbraw/zinc/71/49/36/680714936.db2.gz OYLMOWJHKGTNAF-UHFFFAOYSA-N 0 3 356.850 2.171 20 10 FECDHN CCNS(=O)(=O)c1cccc(CNCc2ccc(OCC)cc2O)c1 ZINC000839147497 680741707 /nfs/dbraw/zinc/74/17/07/680741707.db2.gz KRQKELKJOKUWQC-UHFFFAOYSA-N 0 3 364.467 2.379 20 10 FECDHN CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(OCC)cc2[O-])c1 ZINC000839147497 680741708 /nfs/dbraw/zinc/74/17/08/680741708.db2.gz KRQKELKJOKUWQC-UHFFFAOYSA-N 0 3 364.467 2.379 20 10 FECDHN COc1cc(N2CCN(CCC3(O)CCC3)CC2)cc(OC)c1OC ZINC000839557006 680761257 /nfs/dbraw/zinc/76/12/57/680761257.db2.gz QREIKBPKELSFPW-UHFFFAOYSA-N 0 3 350.459 2.140 20 10 FECDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCCSc1nccs1 ZINC000759601112 680658073 /nfs/dbraw/zinc/65/80/73/680658073.db2.gz GZXZPNWKUGNLGZ-AWEZNQCLSA-N 0 3 372.560 2.378 20 10 FECDHN C[C@H](NCC(=O)NC(=O)NCc1cccs1)c1ccc(N(C)C)cc1 ZINC000775832961 681340103 /nfs/dbraw/zinc/34/01/03/681340103.db2.gz DEESIHBCUCDUMB-ZDUSSCGKSA-N 0 3 360.483 2.491 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]CCNC(=O)C2CC2)c1[O-] ZINC000848513928 681569042 /nfs/dbraw/zinc/56/90/42/681569042.db2.gz IWQZWFPYRFEOLA-VIFPVBQESA-N 0 3 357.248 2.340 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2=O)c1[O-] ZINC000848531256 681572737 /nfs/dbraw/zinc/57/27/37/681572737.db2.gz MWSRFCOYSYBMBV-BXKDBHETSA-N 0 3 357.248 2.435 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCn2ccnn2)c1[O-] ZINC000848545535 681575475 /nfs/dbraw/zinc/57/54/75/681575475.db2.gz YINOXGXNMIFVTG-JTQLQIEISA-N 0 3 355.236 2.496 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1[O-] ZINC000848549797 681576194 /nfs/dbraw/zinc/57/61/94/681576194.db2.gz UNTMFTRLSUZTOS-SRVKXCTJSA-N 0 3 374.275 2.459 20 10 FECDHN COc1cc(N2CCN(CC[C@@H]3CCOC3)CC2)cc(OC)c1OC ZINC000783674612 682166243 /nfs/dbraw/zinc/16/62/43/682166243.db2.gz YKEXFXDDIIIVIA-OAHLLOKOSA-N 0 3 350.459 2.261 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c1[O-] ZINC000857084366 682852757 /nfs/dbraw/zinc/85/27/57/682852757.db2.gz OLJYIDDXSBGAFR-JOYOIKCWSA-N 0 3 357.248 2.435 20 10 FECDHN O[C@@H]([C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877571645 686411916 /nfs/dbraw/zinc/41/19/16/686411916.db2.gz GVQRKFIJBIKUAV-PBHICJAKSA-N 0 3 358.404 2.393 20 10 FECDHN CC[NH+](CC)CC[C@H](CO)NCc1cc(Br)cc(F)c1[O-] ZINC000883160264 687579125 /nfs/dbraw/zinc/57/91/25/687579125.db2.gz KVQUWYACRFHRIA-CYBMUJFWSA-N 0 3 363.271 2.476 20 10 FECDHN CCN(CC)CC[C@H](CO)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883160264 687579130 /nfs/dbraw/zinc/57/91/30/687579130.db2.gz KVQUWYACRFHRIA-CYBMUJFWSA-N 0 3 363.271 2.476 20 10 FECDHN Cc1nn(C)c(Cl)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255993 689040734 /nfs/dbraw/zinc/04/07/34/689040734.db2.gz USLWCPXKNIOTLI-OAHLLOKOSA-N 0 3 363.893 2.481 20 10 FECDHN COc1ccc(N2CCN(CCCNCc3nnc(C)s3)CC2)cc1 ZINC000892462378 689199444 /nfs/dbraw/zinc/19/94/44/689199444.db2.gz PLISPQYWZGFFDV-UHFFFAOYSA-N 0 3 361.515 2.157 20 10 FECDHN C[C@H]1CN(c2ccc(CNC3CC(S(C)(=O)=O)C3)cc2F)C[C@H](C)O1 ZINC000892621505 689219869 /nfs/dbraw/zinc/21/98/69/689219869.db2.gz JQRVFOSIGBLAIX-VRLRAXNCSA-N 0 3 370.490 2.105 20 10 FECDHN CC(C)C[C@@H](N)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000906082459 691229632 /nfs/dbraw/zinc/22/96/32/691229632.db2.gz ROKRMVLUAAFBMP-GRDNDAEWSA-N 0 3 351.466 2.429 20 10 FECDHN CCOc1ccc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c(O)c1 ZINC000800537917 674060878 /nfs/dbraw/zinc/06/08/78/674060878.db2.gz LJNDOWLTXCTAIK-UHFFFAOYSA-N 0 3 368.499 2.181 20 10 FECDHN CN(C)c1ccc(CNC(=O)N2CCN(CC3CCOCC3)CC2)cc1 ZINC000076777450 542321897 /nfs/dbraw/zinc/32/18/97/542321897.db2.gz LLCYETYZSQRYLU-UHFFFAOYSA-N 0 3 360.502 2.006 20 10 FECDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000151073745 544502337 /nfs/dbraw/zinc/50/23/37/544502337.db2.gz AIIVWLAKMLBPQZ-INIZCTEOSA-N 0 3 364.453 2.350 20 10 FECDHN C[C@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1ccccc1[O-] ZINC000154181441 544873635 /nfs/dbraw/zinc/87/36/35/544873635.db2.gz KPGAKMXLHPGTIH-AWEZNQCLSA-N 0 3 354.454 2.340 20 10 FECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000157062110 545695290 /nfs/dbraw/zinc/69/52/90/545695290.db2.gz OBJMFLXRSMBXTC-LLVKDONJSA-N 0 3 361.364 2.381 20 10 FECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000157062110 545695293 /nfs/dbraw/zinc/69/52/93/545695293.db2.gz OBJMFLXRSMBXTC-LLVKDONJSA-N 0 3 361.364 2.381 20 10 FECDHN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H](N)c1ccccc1 ZINC000165185301 546152616 /nfs/dbraw/zinc/15/26/16/546152616.db2.gz HUUMOEVRHNTBLA-OXQOHEQNSA-N 0 3 353.466 2.476 20 10 FECDHN C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1cc(F)ccc1[O-] ZINC000184981122 547910923 /nfs/dbraw/zinc/91/09/23/547910923.db2.gz KOWNPODNZOXLMW-OAHLLOKOSA-N 0 3 359.449 2.184 20 10 FECDHN CCn1nccc1N1CCC[C@H](NCc2ccc3c(c2)CCN3C)C1=O ZINC000191640385 548347812 /nfs/dbraw/zinc/34/78/12/548347812.db2.gz IHUMFOMZSGYXGU-KRWDZBQOSA-N 0 3 353.470 2.181 20 10 FECDHN COc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1[O-] ZINC000265826176 550014498 /nfs/dbraw/zinc/01/44/98/550014498.db2.gz YXWYUVOGCIYJDT-MOPGFXCFSA-N 0 3 356.466 2.373 20 10 FECDHN N[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000269185883 550165457 /nfs/dbraw/zinc/16/54/57/550165457.db2.gz SQQVRHNGKTZZGV-OJLWIZQOSA-N 0 3 351.450 2.353 20 10 FECDHN CC[C@H](NCCN1CCN(c2ccc(OC)cc2)CC1)c1nccn1C ZINC000271651297 550392412 /nfs/dbraw/zinc/39/24/12/550392412.db2.gz BGJGMJYVFMWSGD-IBGZPJMESA-N 0 3 357.502 2.292 20 10 FECDHN CCOC(=O)c1nnc(C2CC[NH+](Cc3cccc(OC)c3O)CC2)[n-]1 ZINC000278616662 550804792 /nfs/dbraw/zinc/80/47/92/550804792.db2.gz GYSXDTRXKQARHG-UHFFFAOYSA-N 0 3 360.414 2.075 20 10 FECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)NCC(F)F)c1[O-] ZINC000280830528 551036977 /nfs/dbraw/zinc/03/69/77/551036977.db2.gz KZMPHPHEYMJJHF-QMMMGPOBSA-N 0 3 351.191 2.495 20 10 FECDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000288070051 552085103 /nfs/dbraw/zinc/08/51/03/552085103.db2.gz VHBNPZSUZQGICM-OAHLLOKOSA-N 0 3 361.486 2.120 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000289360124 552307038 /nfs/dbraw/zinc/30/70/38/552307038.db2.gz IPIKTBXTGBIGTB-IFMALSPDSA-N 0 3 366.509 2.404 20 10 FECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCn2cc(CO)nn2)c1[O-] ZINC000289922784 552400324 /nfs/dbraw/zinc/40/03/24/552400324.db2.gz VANQPDHMUNIHCB-NSHDSACASA-N 0 3 369.263 2.288 20 10 FECDHN COc1ccc(CN2CC[C@H]([NH2+]Cc3ccccc3[O-])C2=O)c(OC)c1 ZINC000289939499 552402713 /nfs/dbraw/zinc/40/27/13/552402713.db2.gz BAJXUVDTURMWRK-KRWDZBQOSA-N 0 3 356.422 2.300 20 10 FECDHN CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Br)ccc3[O-])[C@H]2C1 ZINC000293665916 552845324 /nfs/dbraw/zinc/84/53/24/552845324.db2.gz OIGDTNPNWRNNSQ-GOEBONIOSA-N 0 3 355.276 2.450 20 10 FECDHN CC[N@H+]1CC[C@H]2OCCN(Cc3cc(Br)ccc3[O-])[C@H]2C1 ZINC000293665916 552845325 /nfs/dbraw/zinc/84/53/25/552845325.db2.gz OIGDTNPNWRNNSQ-GOEBONIOSA-N 0 3 355.276 2.450 20 10 FECDHN CCN1CC[C@H]2OCCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)[C@H]2C1 ZINC000293879436 552864772 /nfs/dbraw/zinc/86/47/72/552864772.db2.gz KYOQXRHNGXMFGN-RBUKOAKNSA-N 0 3 368.481 2.424 20 10 FECDHN COC1CCN(c2ccc(CN3CC[C@@H](NC(=O)NC4CC4)C3)cc2)CC1 ZINC000295685138 553044525 /nfs/dbraw/zinc/04/45/25/553044525.db2.gz HQAWINUHFUFZPO-GOSISDBHSA-N 0 3 372.513 2.338 20 10 FECDHN CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000299469534 553567468 /nfs/dbraw/zinc/56/74/68/553567468.db2.gz UXERASZGKDIGFR-CYBMUJFWSA-N 0 3 371.503 2.004 20 10 FECDHN CN1CCN(Cc2ccc(CNC(=O)NCc3ccccc3O)cc2)CC1 ZINC000299554088 553580289 /nfs/dbraw/zinc/58/02/89/553580289.db2.gz YIIKDQYUJJDRPI-UHFFFAOYSA-N 0 3 368.481 2.139 20 10 FECDHN Cn1nncc1CNC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000360021404 554859715 /nfs/dbraw/zinc/85/97/15/554859715.db2.gz NQLPUNQYLXQOCN-LBPRGKRZSA-N 0 3 355.364 2.330 20 10 FECDHN COc1cccc(CN2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)c1O ZINC000364900806 555431350 /nfs/dbraw/zinc/43/13/50/555431350.db2.gz LBVUGTKOTHCMPR-ZDUSSCGKSA-N 0 3 358.442 2.205 20 10 FECDHN CCn1ccnc(N2CCC(NCc3ccc4c(c3)CCN4C)CC2)c1=O ZINC000365100153 555485520 /nfs/dbraw/zinc/48/55/20/555485520.db2.gz OADZRAWZFANNAU-UHFFFAOYSA-N 0 3 367.497 2.014 20 10 FECDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000365338941 555547804 /nfs/dbraw/zinc/54/78/04/555547804.db2.gz SHTRDQSZIAQXJI-NXHRZFHOSA-N 0 3 361.486 2.423 20 10 FECDHN COc1cc([O-])c(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1OC ZINC000368226063 556252912 /nfs/dbraw/zinc/25/29/12/556252912.db2.gz JUBIZRHYLXESJJ-YJBOKZPZSA-N 0 3 351.443 2.209 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c1 ZINC000369882114 556720323 /nfs/dbraw/zinc/72/03/23/556720323.db2.gz FRRPXPAKPABGGZ-AWEZNQCLSA-N 0 3 362.470 2.469 20 10 FECDHN COc1ccc(O)c([C@H](C)N2CCC(NC(=O)C3CCOCC3)CC2)c1 ZINC000369882114 556720324 /nfs/dbraw/zinc/72/03/24/556720324.db2.gz FRRPXPAKPABGGZ-AWEZNQCLSA-N 0 3 362.470 2.469 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c1[O-] ZINC000370261136 556823975 /nfs/dbraw/zinc/82/39/75/556823975.db2.gz LMWGPVSSVRDQFP-WFASDCNBSA-N 0 3 369.259 2.310 20 10 FECDHN CCOc1cccc(CN2CCCN(c3nccc(OC)n3)CC2)c1O ZINC000371420895 557181665 /nfs/dbraw/zinc/18/16/65/557181665.db2.gz IFZQJHRPIUHIGL-UHFFFAOYSA-N 0 3 358.442 2.302 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC[N@H+](C3CCOCC3)CC2)c1[O-] ZINC000371861477 557314037 /nfs/dbraw/zinc/31/40/37/557314037.db2.gz ROPZNLFHBAQQKP-UHFFFAOYSA-N 0 3 350.434 2.421 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC[N@@H+](C3CCOCC3)CC2)c1[O-] ZINC000371861477 557314035 /nfs/dbraw/zinc/31/40/35/557314035.db2.gz ROPZNLFHBAQQKP-UHFFFAOYSA-N 0 3 350.434 2.421 20 10 FECDHN CN1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1cccnc1 ZINC000372409334 557463302 /nfs/dbraw/zinc/46/33/02/557463302.db2.gz RPMMLMUAKAEBPH-ALTJJMMQSA-N 0 3 353.422 2.315 20 10 FECDHN Cc1cc(Cl)cc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1[O-] ZINC000375025570 557966288 /nfs/dbraw/zinc/96/62/88/557966288.db2.gz ZHPAYDHUUDISCN-KRWDZBQOSA-N 0 3 351.834 2.164 20 10 FECDHN CCc1nc(CN2C[C@@H]3CN(Cc4ccc(N(C)C)c(F)c4)C[C@H]3C2)no1 ZINC000378347094 558534726 /nfs/dbraw/zinc/53/47/26/558534726.db2.gz BZBXAZMOZKXVTE-HOTGVXAUSA-N 0 3 373.476 2.401 20 10 FECDHN C[C@H]([NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1)c1ccccc1[O-] ZINC000378626187 558596477 /nfs/dbraw/zinc/59/64/77/558596477.db2.gz RRZFVQOVEQVOHZ-GJZGRUSLSA-N 0 3 352.442 2.397 20 10 FECDHN C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c2c1c(F)ccc2[O-] ZINC000527955339 562309401 /nfs/dbraw/zinc/30/94/01/562309401.db2.gz NPAPXKCTMJYPBR-IAMHBRQHSA-N 0 3 364.461 2.285 20 10 FECDHN Cc1cc(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)ccc1N(C)C ZINC000815117212 674920770 /nfs/dbraw/zinc/92/07/70/674920770.db2.gz AJUFYXFMAALKDE-KRWDZBQOSA-N 0 3 365.543 2.355 20 10 FECDHN CCN(C)c1ccc(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000815117592 674920800 /nfs/dbraw/zinc/92/08/00/674920800.db2.gz HSJJHLHXFMISMV-QGZVFWFLSA-N 0 3 365.543 2.437 20 10 FECDHN Cc1cc(CN(CCO)CCNC(=O)OC(C)(C)C)ccc1N(C)C ZINC000815094954 674916775 /nfs/dbraw/zinc/91/67/75/674916775.db2.gz QCGIERNTIHLQMQ-UHFFFAOYSA-N 0 3 351.491 2.380 20 10 FECDHN CN(C)c1ccc(CNCCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000158289914 672268034 /nfs/dbraw/zinc/26/80/34/672268034.db2.gz QQGIUDTZQCGJOY-UHFFFAOYSA-N 0 3 353.513 2.224 20 10 FECDHN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000734269578 673458438 /nfs/dbraw/zinc/45/84/38/673458438.db2.gz GPVNSFULUYUBJH-INIZCTEOSA-N 0 3 360.527 2.276 20 10 FECDHN C[C@@H](CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)S(C)(=O)=O ZINC000819120169 675262420 /nfs/dbraw/zinc/26/24/20/675262420.db2.gz MZXUDOJKTJSWBE-QWHCGFSZSA-N 0 3 362.442 2.280 20 10 FECDHN CN(C)S(=O)(=O)CCNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000824423099 675601116 /nfs/dbraw/zinc/60/11/16/675601116.db2.gz LKHRIKKNQPKWGY-UHFFFAOYSA-N 0 3 367.540 2.366 20 10 FECDHN CCOc1ccc(O)c(CNCc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000824737942 675619207 /nfs/dbraw/zinc/61/92/07/675619207.db2.gz HFVFZJIGYPFZMR-UHFFFAOYSA-N 0 3 364.467 2.331 20 10 FECDHN Cc1cc([O-])c(C[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)cc1Cl ZINC000825185303 675640469 /nfs/dbraw/zinc/64/04/69/675640469.db2.gz MESFXEBFRNCYPY-INIZCTEOSA-N 0 3 353.894 2.386 20 10 FECDHN COc1cc(Br)cc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827141605 675733311 /nfs/dbraw/zinc/73/33/11/675733311.db2.gz VCRANLKBZGMELJ-MFKMUULPSA-N 0 3 369.259 2.264 20 10 FECDHN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000765794522 680855323 /nfs/dbraw/zinc/85/53/23/680855323.db2.gz CYSNMKKQWLNHPI-RYUDHWBXSA-N 0 3 357.248 2.168 20 10 FECDHN O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834803279 680270242 /nfs/dbraw/zinc/27/02/42/680270242.db2.gz OWQPUEBVCSTLTN-DOTOQJQBSA-N 0 3 358.463 2.432 20 10 FECDHN CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000756446568 680479531 /nfs/dbraw/zinc/47/95/31/680479531.db2.gz SCCGRAUWMTYNNX-LBPRGKRZSA-N 0 3 352.431 2.431 20 10 FECDHN C[C@H](NC[C@H](O)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000766186609 680869574 /nfs/dbraw/zinc/86/95/74/680869574.db2.gz YKRCHQLBATXLOI-UGSOOPFHSA-N 0 3 364.877 2.294 20 10 FECDHN O=S1(=O)CCC(O)(C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000767400212 680910450 /nfs/dbraw/zinc/91/04/50/680910450.db2.gz VBOBQWPTLZYIOD-UHFFFAOYSA-N 0 3 353.484 2.077 20 10 FECDHN O=S1(=O)CCC(O)(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000767400212 680910451 /nfs/dbraw/zinc/91/04/51/680910451.db2.gz VBOBQWPTLZYIOD-UHFFFAOYSA-N 0 3 353.484 2.077 20 10 FECDHN CCCS(=O)(=O)NC1CCN(Cc2ccc(OCC)cc2O)CC1 ZINC000768264523 680942288 /nfs/dbraw/zinc/94/22/88/680942288.db2.gz QXMOQWGLHIFTMT-UHFFFAOYSA-N 0 3 356.488 2.085 20 10 FECDHN C[NH+]1CCC2(CC1)CN(Cc1cc(Br)ccc1[O-])CCO2 ZINC000843431307 681003739 /nfs/dbraw/zinc/00/37/39/681003739.db2.gz AMZCONWWPNPMMR-UHFFFAOYSA-N 0 3 355.276 2.451 20 10 FECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc2F)C[C@H](C)O1 ZINC000844173436 681043078 /nfs/dbraw/zinc/04/30/78/681043078.db2.gz BFGGYASFFRZGRA-IIYDPXPESA-N 0 3 351.466 2.429 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)c1[O-] ZINC000848552488 681576769 /nfs/dbraw/zinc/57/67/69/681576769.db2.gz LDJSFVQWVGKXSP-ZJUUUORDSA-N 0 3 357.248 2.340 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)c1[O-] ZINC000848553764 681576836 /nfs/dbraw/zinc/57/68/36/681576836.db2.gz QQBPLDMJFDZNLQ-SECBINFHSA-N 0 3 357.248 2.470 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCCC2=O)c1[O-] ZINC000848556130 681577739 /nfs/dbraw/zinc/57/77/39/681577739.db2.gz NOFRVCFGMHEEBD-SNVBAGLBSA-N 0 3 357.248 2.436 20 10 FECDHN CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC000779031064 681673764 /nfs/dbraw/zinc/67/37/64/681673764.db2.gz RQHLUERKUXHGQG-UHFFFAOYSA-N 0 3 361.467 2.086 20 10 FECDHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000849605803 681763450 /nfs/dbraw/zinc/76/34/50/681763450.db2.gz JXJAJWWGDZHYTB-JKSUJKDBSA-N 0 3 362.861 2.131 20 10 FECDHN O=C(NCCCSc1nccs1)NC[C@@H]1CCN1C1CCOCC1 ZINC000921447336 683471461 /nfs/dbraw/zinc/47/14/61/683471461.db2.gz FYFZBXJRWHTBCY-AWEZNQCLSA-N 0 3 370.544 2.178 20 10 FECDHN C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(O)c1 ZINC000799717216 683487981 /nfs/dbraw/zinc/48/79/81/683487981.db2.gz LFZZRVBNIHWITD-OAHLLOKOSA-N 0 3 360.479 2.478 20 10 FECDHN CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000863294210 683699575 /nfs/dbraw/zinc/69/95/75/683699575.db2.gz STVBURBVOUZXLM-OAHLLOKOSA-N 0 3 352.431 2.165 20 10 FECDHN CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000863294210 683699576 /nfs/dbraw/zinc/69/95/76/683699576.db2.gz STVBURBVOUZXLM-OAHLLOKOSA-N 0 3 352.431 2.165 20 10 FECDHN O=C1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCN1 ZINC000873049332 685059460 /nfs/dbraw/zinc/05/94/60/685059460.db2.gz GBQQRFVQNFLEGX-HZPDHXFCSA-N 0 3 351.878 2.268 20 10 FECDHN COc1cc(N2CCN(CCC[C@H]3CCO3)CC2)cc(OC)c1OC ZINC000877345366 686358691 /nfs/dbraw/zinc/35/86/91/686358691.db2.gz BQFVCUFDISTWQG-INIZCTEOSA-N 0 3 350.459 2.404 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccnn2C(F)F)N(C)C)cc1 ZINC000891245795 689039623 /nfs/dbraw/zinc/03/96/23/689039623.db2.gz JRFZGBNANMZIKT-HNNXBMFYSA-N 0 3 351.401 2.377 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cc(C(F)F)n[nH]2)N(C)C)cc1 ZINC000891247922 689039694 /nfs/dbraw/zinc/03/96/94/689039694.db2.gz LNHLTSBLZFHIFV-OAHLLOKOSA-N 0 3 351.401 2.446 20 10 FECDHN COC(=O)c1c(CNC[C@](C)(O)CSC)c2cc(F)ccc2n1C ZINC000894287141 689501378 /nfs/dbraw/zinc/50/13/78/689501378.db2.gz AZSLHGYZTBGAFZ-KRWDZBQOSA-N 0 3 354.447 2.308 20 10 FECDHN CCNS(=O)(=O)c1cccc(CNCc2cc(C)cc(OC)c2O)c1 ZINC000894983036 689634503 /nfs/dbraw/zinc/63/45/03/689634503.db2.gz MFXNYAVXWOQNDC-UHFFFAOYSA-N 0 3 364.467 2.297 20 10 FECDHN COC(C)(C)CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101939 690304361 /nfs/dbraw/zinc/30/43/61/690304361.db2.gz NJTXPDAWBCOJJO-QGZVFWFLSA-N 0 3 350.507 2.422 20 10 FECDHN CC[C@H](O)CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101873 690304496 /nfs/dbraw/zinc/30/44/96/690304496.db2.gz MUYBNLVULUABLI-ZWKOTPCHSA-N 0 3 350.507 2.206 20 10 FECDHN C[C@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(N2CCC(O)CC2)cc1 ZINC000089677703 542768469 /nfs/dbraw/zinc/76/84/69/542768469.db2.gz WWZBSYOLFAPUKQ-HRAATJIYSA-N 0 3 359.514 2.162 20 10 FECDHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000090412160 542784313 /nfs/dbraw/zinc/78/43/13/542784313.db2.gz CMRPHCQMAJYGTA-GOEBONIOSA-N 0 3 364.465 2.117 20 10 FECDHN C[C@H](CN1CCCCC1)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000097216677 543007579 /nfs/dbraw/zinc/00/75/79/543007579.db2.gz AQMCWOMASQHDEF-QGZVFWFLSA-N 0 3 360.502 2.197 20 10 FECDHN O=C([C@H]1COc2ccccc2O1)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000111394586 543400807 /nfs/dbraw/zinc/40/08/07/543400807.db2.gz YGYREBOORAKCBP-HXUWFJFHSA-N 0 3 368.433 2.313 20 10 FECDHN COCCCN1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000127254954 543981212 /nfs/dbraw/zinc/98/12/12/543981212.db2.gz QRTKFPYRBAXGKJ-UHFFFAOYSA-N 0 3 372.513 2.363 20 10 FECDHN COc1cccc(CNCCNS(=O)(=O)c2cc(C)sc2C)c1O ZINC000158422690 545859109 /nfs/dbraw/zinc/85/91/09/545859109.db2.gz CWYYIVALLHDBIK-UHFFFAOYSA-N 0 3 370.496 2.147 20 10 FECDHN Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1[O-] ZINC000179591110 546982806 /nfs/dbraw/zinc/98/28/06/546982806.db2.gz CJDBJMQSBDTTDQ-UHFFFAOYSA-N 0 3 352.862 2.425 20 10 FECDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@@H]1CCOc2ccccc21 ZINC000237829009 548856643 /nfs/dbraw/zinc/85/66/43/548856643.db2.gz CWXLWEULZYHBJL-QGZVFWFLSA-N 0 3 369.440 2.418 20 10 FECDHN CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(C)(C)C ZINC000263748228 549930916 /nfs/dbraw/zinc/93/09/16/549930916.db2.gz GDHYIXUCWQYCQU-UHFFFAOYSA-N 0 3 351.466 2.256 20 10 FECDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CN(Cc3ccccc3)CC[C@@H]1CO)OCO2 ZINC000265811986 550014560 /nfs/dbraw/zinc/01/45/60/550014560.db2.gz VWNXAKGTERWYIT-AEFFLSMTSA-N 0 3 370.449 2.094 20 10 FECDHN COc1cccc(CNC(=O)NCc2cccc(OCCN(C)C)c2)c1O ZINC000266628259 550022013 /nfs/dbraw/zinc/02/20/13/550022013.db2.gz AAXQBUFBGARIPO-UHFFFAOYSA-N 0 3 373.453 2.341 20 10 FECDHN CN(C)[C@@]1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCSC1 ZINC000267250484 550029087 /nfs/dbraw/zinc/02/90/87/550029087.db2.gz ZOJPNPWNCAUPOX-LJQANCHMSA-N 0 3 360.527 2.299 20 10 FECDHN CS(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000269455154 550197770 /nfs/dbraw/zinc/19/77/70/550197770.db2.gz IEKKHJIYPKGSBA-SFHVURJKSA-N 0 3 365.543 2.438 20 10 FECDHN COc1cc(O)c(CN(C)CCN2C(=O)c3ccccc3C2=O)cc1OC ZINC000271123433 550343069 /nfs/dbraw/zinc/34/30/69/550343069.db2.gz YVIVBOQRWLXEDW-UHFFFAOYSA-N 0 3 370.405 2.137 20 10 FECDHN CCOc1cccc(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c1[O-] ZINC000271136151 550343897 /nfs/dbraw/zinc/34/38/97/550343897.db2.gz MRKPFHVBQNZHHX-HOCLYGCPSA-N 0 3 350.459 2.154 20 10 FECDHN CCOc1cccc(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c1[O-] ZINC000271136151 550343899 /nfs/dbraw/zinc/34/38/99/550343899.db2.gz MRKPFHVBQNZHHX-HOCLYGCPSA-N 0 3 350.459 2.154 20 10 FECDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c([O-])c1C ZINC000273390334 550496800 /nfs/dbraw/zinc/49/68/00/550496800.db2.gz KNSVCPPLLWQCFB-CQSZACIVSA-N 0 3 355.438 2.075 20 10 FECDHN CN(C)c1ccc(CN[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1F ZINC000284589561 551584352 /nfs/dbraw/zinc/58/43/52/551584352.db2.gz QBEDFNSCUKYHLH-DNVCBOLYSA-N 0 3 359.449 2.077 20 10 FECDHN C[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000286868381 551934977 /nfs/dbraw/zinc/93/49/77/551934977.db2.gz BNVOHVMAYRXURA-LSDHHAIUSA-N 0 3 370.490 2.138 20 10 FECDHN CN(CCn1cc(Br)cn1)Cc1cc2c(cc1O)OCO2 ZINC000288621246 552186405 /nfs/dbraw/zinc/18/64/05/552186405.db2.gz OKULFIRVDBBUIO-UHFFFAOYSA-N 0 3 354.204 2.212 20 10 FECDHN C[C@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCN(C2CC2)C1 ZINC000295448563 553008478 /nfs/dbraw/zinc/00/84/78/553008478.db2.gz ATQLXQJKQBXDQA-CHHNCHTKSA-N 0 3 369.509 2.479 20 10 FECDHN COc1cccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1[O-] ZINC000296604683 553186357 /nfs/dbraw/zinc/18/63/57/553186357.db2.gz RQCGZEJHEVEARB-AWEZNQCLSA-N 0 3 352.431 2.126 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000298046317 553376557 /nfs/dbraw/zinc/37/65/57/553376557.db2.gz HHYSRSBBROKKSF-HXUWFJFHSA-N 0 3 358.530 2.319 20 10 FECDHN COCCN(C)CCCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298897641 553486595 /nfs/dbraw/zinc/48/65/95/553486595.db2.gz XVNCHPXABXAZCF-UHFFFAOYSA-N 0 3 362.518 2.395 20 10 FECDHN O=C(CN1CC[C@H](C2CC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000363488876 555118380 /nfs/dbraw/zinc/11/83/80/555118380.db2.gz JLAQQUCLWSLRIW-KRWDZBQOSA-N 0 3 361.461 2.010 20 10 FECDHN COc1cc(Cl)cc(CN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC000363909066 555211349 /nfs/dbraw/zinc/21/13/49/555211349.db2.gz MUAKMGDJNWQKID-JKSUJKDBSA-N 0 3 354.878 2.475 20 10 FECDHN COc1cc(Cl)cc(CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC000363909066 555211350 /nfs/dbraw/zinc/21/13/50/555211350.db2.gz MUAKMGDJNWQKID-JKSUJKDBSA-N 0 3 354.878 2.475 20 10 FECDHN O=S1(=O)CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000365802578 555670788 /nfs/dbraw/zinc/67/07/88/555670788.db2.gz USDPOLWHRGBEQG-MRXNPFEDSA-N 0 3 372.918 2.177 20 10 FECDHN COc1ccc(N2CCCN(C[C@@H](O)COCC(F)(F)F)CC2)cc1 ZINC000366414310 555836904 /nfs/dbraw/zinc/83/69/04/555836904.db2.gz JJHFFOPLXWXBLU-OAHLLOKOSA-N 0 3 362.392 2.147 20 10 FECDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCCN(Cc3noc(C4CC4)n3)C1)OCO2 ZINC000369267050 556555822 /nfs/dbraw/zinc/55/58/22/556555822.db2.gz CGKXZTYGSOWACJ-CQSZACIVSA-N 0 3 372.425 2.136 20 10 FECDHN COc1ccc(O)c(CN2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)c1 ZINC000369517455 556617903 /nfs/dbraw/zinc/61/79/03/556617903.db2.gz GUUZLBUCOFTISG-ZDUSSCGKSA-N 0 3 358.442 2.205 20 10 FECDHN Cc1nccc(CN2CCC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2=O)n1 ZINC000369892878 556723192 /nfs/dbraw/zinc/72/31/92/556723192.db2.gz MYLOEXBQXRTGSS-SJKOYZFVSA-N 0 3 358.417 2.472 20 10 FECDHN O=C1CCN(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000369917935 556729907 /nfs/dbraw/zinc/72/99/07/556729907.db2.gz FXUBTBFLRIZOPW-MRXNPFEDSA-N 0 3 351.878 2.222 20 10 FECDHN COc1ccc2c(c1)[C@@](O)(C[NH2+]Cc1cc3c(cc1[O-])OCO3)CCC2 ZINC000371357654 557159561 /nfs/dbraw/zinc/15/95/61/557159561.db2.gz OWAWMWZAWNVAEX-FQEVSTJZSA-N 0 3 357.406 2.443 20 10 FECDHN COc1cccc(N2C[C@H](NCc3cc(OC)c(OC)cc3O)CC2=O)c1 ZINC000371509758 557205056 /nfs/dbraw/zinc/20/50/56/557205056.db2.gz QQALPGQWONCLGO-CQSZACIVSA-N 0 3 372.421 2.313 20 10 FECDHN CCCOc1ccc(CN2CCCN(CC(=O)NC(C)C)CC2)c(O)c1 ZINC000372392038 557459130 /nfs/dbraw/zinc/45/91/30/557459130.db2.gz SGJKXAWBLOOFSN-UHFFFAOYSA-N 0 3 363.502 2.213 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c1 ZINC000372892184 557583194 /nfs/dbraw/zinc/58/31/94/557583194.db2.gz QPHCHLQAPSKMHA-WTOJCKNJSA-N 0 3 358.442 2.005 20 10 FECDHN CN1CCC(n2ccc(NCc3ccc(N4CCOCC4)cc3)n2)CC1 ZINC000373263532 557661298 /nfs/dbraw/zinc/66/12/98/557661298.db2.gz IUCUVIIILFHESK-UHFFFAOYSA-N 0 3 355.486 2.599 20 10 FECDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000374805375 557934071 /nfs/dbraw/zinc/93/40/71/557934071.db2.gz IOQBDQACLRZZDY-UZFADEEESA-N 0 3 360.454 2.117 20 10 FECDHN COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000376690231 558209332 /nfs/dbraw/zinc/20/93/32/558209332.db2.gz PKDWXBJDAWQKEM-OAHLLOKOSA-N 0 3 372.469 2.180 20 10 FECDHN COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000376690231 558209333 /nfs/dbraw/zinc/20/93/33/558209333.db2.gz PKDWXBJDAWQKEM-OAHLLOKOSA-N 0 3 372.469 2.180 20 10 FECDHN COc1ccc(O)c(CN2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1 ZINC000377708715 558402450 /nfs/dbraw/zinc/40/24/50/558402450.db2.gz XQMYSFWIUKITSW-HZPDHXFCSA-N 0 3 364.442 2.270 20 10 FECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000378440241 558558165 /nfs/dbraw/zinc/55/81/65/558558165.db2.gz AQOMWJUTFFFGQW-CVEARBPZSA-N 0 3 361.442 2.231 20 10 FECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000378440241 558558168 /nfs/dbraw/zinc/55/81/68/558558168.db2.gz AQOMWJUTFFFGQW-CVEARBPZSA-N 0 3 361.442 2.231 20 10 FECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1[O-] ZINC000529645982 562379990 /nfs/dbraw/zinc/37/99/90/562379990.db2.gz VAOYARIRDNQDTB-GOSISDBHSA-N 0 3 354.878 2.059 20 10 FECDHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000819824454 675316379 /nfs/dbraw/zinc/31/63/79/675316379.db2.gz KSYJYXXHPLTZCG-JKSUJKDBSA-N 0 3 359.495 2.437 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCCN2CCO)c1[O-] ZINC000824583663 675612195 /nfs/dbraw/zinc/61/21/95/675612195.db2.gz OEIMLZHVOIUYQF-AWEZNQCLSA-N 0 3 373.291 2.100 20 10 FECDHN C[C@@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000827956375 675788594 /nfs/dbraw/zinc/78/85/94/675788594.db2.gz LHYFHLAOLAPHDQ-OCCSQVGLSA-N 0 3 351.447 2.024 20 10 FECDHN COCCNC(=O)C1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761190450 680714371 /nfs/dbraw/zinc/71/43/71/680714371.db2.gz AACHSKSYXSFQLS-UHFFFAOYSA-N 0 3 356.850 2.029 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C2(CCO)CCOCC2)c1[O-] ZINC000761994999 680736948 /nfs/dbraw/zinc/73/69/48/680736948.db2.gz UKWFIXHLVAPBJJ-UHFFFAOYSA-N 0 3 360.248 2.185 20 10 FECDHN COc1cc(Cl)cc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1[O-] ZINC000839165063 680742312 /nfs/dbraw/zinc/74/23/12/680742312.db2.gz JXKLFQWOOOIFBH-UHFFFAOYSA-N 0 3 370.877 2.025 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H](CCO)C2CCOCC2)c1[O-] ZINC000763465605 680783534 /nfs/dbraw/zinc/78/35/34/680783534.db2.gz BDBPOBMCCQDYCC-AWEZNQCLSA-N 0 3 374.275 2.431 20 10 FECDHN CNS(=O)(=O)C[C@H]1CCCN1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754738376 680374396 /nfs/dbraw/zinc/37/43/96/680374396.db2.gz AEBNHTYBEIRZJE-CQSZACIVSA-N 0 3 370.515 2.212 20 10 FECDHN C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000766186607 680869597 /nfs/dbraw/zinc/86/95/97/680869597.db2.gz YKRCHQLBATXLOI-FZKQIMNGSA-N 0 3 364.877 2.294 20 10 FECDHN CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000841895148 680916974 /nfs/dbraw/zinc/91/69/74/680916974.db2.gz UOVWPULSLGKUNX-UHFFFAOYSA-N 0 3 354.422 2.383 20 10 FECDHN Oc1cc2c(cc1CN1CCN(CCc3cccs3)CC1)[C@H](O)CO2 ZINC000768443755 680947057 /nfs/dbraw/zinc/94/70/57/680947057.db2.gz UAGRKNLJDCOTSD-GOSISDBHSA-N 0 3 360.479 2.240 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1[O-] ZINC000842759515 680964614 /nfs/dbraw/zinc/96/46/14/680964614.db2.gz XIGZQIQYBZKPEA-MRXNPFEDSA-N 0 3 374.275 2.431 20 10 FECDHN CCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000775696754 681325100 /nfs/dbraw/zinc/32/51/00/681325100.db2.gz NUBGZNSFVROPLH-QGZVFWFLSA-N 0 3 367.559 2.084 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1[O-] ZINC000848528206 681572213 /nfs/dbraw/zinc/57/22/13/681572213.db2.gz KJWGFHLBPQAQEZ-WCQYABFASA-N 0 3 372.307 2.060 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1[O-] ZINC000848578857 681581848 /nfs/dbraw/zinc/58/18/48/681581848.db2.gz TYUCCGBMMQOASU-GFCCVEGCSA-N 0 3 371.231 2.236 20 10 FECDHN CS(=O)(=O)C1(CNCc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000796515224 683167575 /nfs/dbraw/zinc/16/75/75/683167575.db2.gz QCDUFXSYSUOPFO-UHFFFAOYSA-N 0 3 370.490 2.109 20 10 FECDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1(S(C)(=O)=O)CC1 ZINC000797070807 683220451 /nfs/dbraw/zinc/22/04/51/683220451.db2.gz SRRPKDXSRIMKGH-UONOGXRCSA-N 0 3 370.490 2.279 20 10 FECDHN COc1cccc([O-])c1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000922471905 683729859 /nfs/dbraw/zinc/72/98/59/683729859.db2.gz CLUGHDVCFFUVJR-UHFFFAOYSA-N 0 3 356.488 2.131 20 10 FECDHN CO[C@@]1(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCOC1 ZINC000877034064 686314963 /nfs/dbraw/zinc/31/49/63/686314963.db2.gz XGIXADLEZJWRRD-FUHWJXTLSA-N 0 3 354.878 2.405 20 10 FECDHN O[C@H]([C@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877571647 686411929 /nfs/dbraw/zinc/41/19/29/686411929.db2.gz GVQRKFIJBIKUAV-WMLDXEAASA-N 0 3 358.404 2.393 20 10 FECDHN CONC(=O)C1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000877786386 686457476 /nfs/dbraw/zinc/45/74/76/686457476.db2.gz FNICJGVJOUUCTH-UHFFFAOYSA-N 0 3 357.248 2.353 20 10 FECDHN CC[NH+](CC)CC[C@@H](CO)NCc1cc(Br)cc(F)c1[O-] ZINC000883160265 687579026 /nfs/dbraw/zinc/57/90/26/687579026.db2.gz KVQUWYACRFHRIA-ZDUSSCGKSA-N 0 3 363.271 2.476 20 10 FECDHN CCN(CC)CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883160265 687579029 /nfs/dbraw/zinc/57/90/29/687579029.db2.gz KVQUWYACRFHRIA-ZDUSSCGKSA-N 0 3 363.271 2.476 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c1[O-] ZINC000886229166 688216661 /nfs/dbraw/zinc/21/66/61/688216661.db2.gz LXOKSUIOVNVTBM-QWHCGFSZSA-N 0 3 360.248 2.183 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c1[O-] ZINC000886229167 688216882 /nfs/dbraw/zinc/21/68/82/688216882.db2.gz LXOKSUIOVNVTBM-STQMWFEESA-N 0 3 360.248 2.183 20 10 FECDHN C[C@@H](CO)CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893875716 689421896 /nfs/dbraw/zinc/42/18/96/689421896.db2.gz PJETWKKQZGSRCC-CRAIPNDOSA-N 0 3 350.507 2.063 20 10 FECDHN COC(=O)c1c(CN[C@H](C)CC[S@@](C)=O)c2cc(F)ccc2n1C ZINC000894332898 689511959 /nfs/dbraw/zinc/51/19/59/689511959.db2.gz JJDYETSRVWKSQA-YDGUKXNOSA-N 0 3 354.447 2.351 20 10 FECDHN Cc1cc([O-])c(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)cc1Cl ZINC000895686936 689755063 /nfs/dbraw/zinc/75/50/63/689755063.db2.gz WOPGPPXVWACIES-KRWDZBQOSA-N 0 3 367.921 2.240 20 10 FECDHN OC[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895837956 689778349 /nfs/dbraw/zinc/77/83/49/689778349.db2.gz RZTAGJDTCRZLQP-QGZVFWFLSA-N 0 3 358.404 2.394 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)NCCc2ccns2)N(C)C)cc1 ZINC000896418874 689871935 /nfs/dbraw/zinc/87/19/35/689871935.db2.gz RNOQRIJTWYHFFG-KRWDZBQOSA-N 0 3 361.515 2.354 20 10 FECDHN COc1ccc(CN[C@H]2CON(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000896999338 689960678 /nfs/dbraw/zinc/96/06/78/689960678.db2.gz VLFJZLZHEZFGNG-GFCCVEGCSA-N 0 3 354.403 2.050 20 10 FECDHN CCN1CCN([C@H](C)CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000900686684 690548565 /nfs/dbraw/zinc/54/85/65/690548565.db2.gz ODFINKHTCZIKEA-GFCCVEGCSA-N 0 3 363.483 2.068 20 10 FECDHN CC[C@](O)(CNCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000905054654 691062287 /nfs/dbraw/zinc/06/22/87/691062287.db2.gz KNGKNZIYLOTGOU-HNNXBMFYSA-N 0 3 350.356 2.455 20 10 FECDHN CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075611474 542192250 /nfs/dbraw/zinc/19/22/50/542192250.db2.gz IVKOMOBBIUSJRD-LJQANCHMSA-N 0 3 373.457 2.275 20 10 FECDHN Cc1cc([O-])c(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1C ZINC000092759416 542885836 /nfs/dbraw/zinc/88/58/36/542885836.db2.gz YIJMGMCSUFSXSP-UHFFFAOYSA-N 0 3 356.470 2.385 20 10 FECDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000131299846 544184632 /nfs/dbraw/zinc/18/46/32/544184632.db2.gz YXENDDNTXMKIQQ-SJPCQFCGSA-N 0 3 373.472 2.247 20 10 FECDHN CCn1nccc1CNCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000159906853 545990826 /nfs/dbraw/zinc/99/08/26/545990826.db2.gz RQFSTPKTPJWZNP-UHFFFAOYSA-N 0 3 357.502 2.214 20 10 FECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1OCCN(C)C ZINC000183467432 547666205 /nfs/dbraw/zinc/66/62/05/547666205.db2.gz NGTJZDHPOYLFGI-CQSZACIVSA-N 0 3 358.438 2.399 20 10 FECDHN COc1cc(Cl)cc(CN2CCC(C(=O)N3CCOCC3)CC2)c1O ZINC000184674947 547863381 /nfs/dbraw/zinc/86/33/81/547863381.db2.gz XURDKDLMXJWSFO-UHFFFAOYSA-N 0 3 368.861 2.125 20 10 FECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c([O-])c1 ZINC000186159025 548092422 /nfs/dbraw/zinc/09/24/22/548092422.db2.gz RXMIMLQDRVOZQU-QWHCGFSZSA-N 0 3 355.481 2.248 20 10 FECDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000186396570 548130304 /nfs/dbraw/zinc/13/03/04/548130304.db2.gz YSZZILXIIUKFSE-HNNXBMFYSA-N 0 3 362.470 2.180 20 10 FECDHN Cc1cc(Br)cc(CN2C[C@](C)(CO)[C@](C)(CO)C2)c1O ZINC000529667996 562380528 /nfs/dbraw/zinc/38/05/28/562380528.db2.gz CSMCXACLPJWVTL-IYBDPMFKSA-N 0 3 358.276 2.276 20 10 FECDHN NC[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000269235315 550170323 /nfs/dbraw/zinc/17/03/23/550170323.db2.gz GDPFCQVNQCLGCX-SFHVURJKSA-N 0 3 371.456 2.146 20 10 FECDHN COc1cc(C[NH2+]Cc2cccc(C)c2[O-])ccc1OCC(=O)N(C)C ZINC000272012750 550416174 /nfs/dbraw/zinc/41/61/74/550416174.db2.gz KCSOLOCAFWLAEM-UHFFFAOYSA-N 0 3 358.438 2.466 20 10 FECDHN COc1cc(CNCc2cccc(C)c2O)ccc1OCC(=O)N(C)C ZINC000272012750 550416176 /nfs/dbraw/zinc/41/61/76/550416176.db2.gz KCSOLOCAFWLAEM-UHFFFAOYSA-N 0 3 358.438 2.466 20 10 FECDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000272282502 550433840 /nfs/dbraw/zinc/43/38/40/550433840.db2.gz BVIPNULNLYHMSI-AZUAARDMSA-N 0 3 372.513 2.149 20 10 FECDHN C[C@@H]1CN(CCCNC(=O)N(C)Cc2ccc(N(C)C)cc2)CCCO1 ZINC000277826450 550718490 /nfs/dbraw/zinc/71/84/90/550718490.db2.gz XIOCQPVMZSUOEK-QGZVFWFLSA-N 0 3 362.518 2.395 20 10 FECDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000278400864 550781587 /nfs/dbraw/zinc/78/15/87/550781587.db2.gz UDEZSVUNAIZVGZ-INIZCTEOSA-N 0 3 360.502 2.147 20 10 FECDHN C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cc2c(cc1[O-])CCCC2 ZINC000280888266 551042813 /nfs/dbraw/zinc/04/28/13/551042813.db2.gz DWQCJJVGXAKXFW-ZIAGYGMSSA-N 0 3 368.481 2.480 20 10 FECDHN CCOc1cccc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c1O ZINC000282733291 551264500 /nfs/dbraw/zinc/26/45/00/551264500.db2.gz MLBNMUYSPYKBJT-UHFFFAOYSA-N 0 3 368.499 2.181 20 10 FECDHN CN(C)CCN(C)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000297973332 553364779 /nfs/dbraw/zinc/36/47/79/553364779.db2.gz WMTVKASAHPXDIR-UHFFFAOYSA-N 0 3 361.486 2.074 20 10 FECDHN Cc1cc(C(=O)N2CCCN(CC(C)(C)O)CC2)c(C)n1-c1ccccn1 ZINC000364592198 555347101 /nfs/dbraw/zinc/34/71/01/555347101.db2.gz QWSLMRKUOOAZGS-UHFFFAOYSA-N 0 3 370.497 2.408 20 10 FECDHN CCOc1cccc(C[NH+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@@H]3C2)c1[O-] ZINC000372428740 557468360 /nfs/dbraw/zinc/46/83/60/557468360.db2.gz QOCOLGWTPHNJHZ-HOTGVXAUSA-N 0 3 372.469 2.300 20 10 FECDHN COCc1nccc([C@H]2CCCN(Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000372435551 557470013 /nfs/dbraw/zinc/47/00/13/557470013.db2.gz LIUWMXWEXUQGMN-ZDUSSCGKSA-N 0 3 357.410 2.437 20 10 FECDHN COCCn1ncc2c1[C@@H](NCc1cc(OC)c(OC)cc1O)CCC2 ZINC000375210102 557992433 /nfs/dbraw/zinc/99/24/33/557992433.db2.gz XZWGPXSDVUEVPK-HNNXBMFYSA-N 0 3 361.442 2.420 20 10 FECDHN C[C@@H](N[C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375845470 558088306 /nfs/dbraw/zinc/08/83/06/558088306.db2.gz BOGVYUKRRLNPOM-NVXWUHKLSA-N 0 3 373.476 2.325 20 10 FECDHN Cc1cc(O)c(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1Cl ZINC000824905775 675628266 /nfs/dbraw/zinc/62/82/66/675628266.db2.gz COTCQAUSXNFJJN-INIZCTEOSA-N 0 3 351.878 2.092 20 10 FECDHN Cc1cc(N(C)C)ccc1CNC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000840936932 680854937 /nfs/dbraw/zinc/85/49/37/680854937.db2.gz NQVGSNSYQRPLDN-MRXNPFEDSA-N 0 3 368.524 2.047 20 10 FECDHN C[C@H](NC[C@]1(C)CCC(=O)N1)c1ccc(N2CCOCC2)cc1Cl ZINC000834910795 680281638 /nfs/dbraw/zinc/28/16/38/680281638.db2.gz ZOUIMSCQSMELOA-UGSOOPFHSA-N 0 3 351.878 2.496 20 10 FECDHN CN(C)c1ccc(/C=C\CN2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC000835052005 680291485 /nfs/dbraw/zinc/29/14/85/680291485.db2.gz JRPVSYLWRDCAOB-PLNGDYQASA-N 0 3 351.516 2.027 20 10 FECDHN CCS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756399397 680476381 /nfs/dbraw/zinc/47/63/81/680476381.db2.gz NZKHXAGUMIACSM-BXUZGUMPSA-N 0 3 356.463 2.483 20 10 FECDHN Oc1ccc(Br)cc1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000769327002 680978243 /nfs/dbraw/zinc/97/82/43/680978243.db2.gz JMXYCFXCKNXKGG-GOEBONIOSA-N 0 3 355.276 2.186 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1[O-] ZINC000846075051 681179125 /nfs/dbraw/zinc/17/91/25/681179125.db2.gz KWABPSFICHCVID-SNVBAGLBSA-N 0 3 369.259 2.264 20 10 FECDHN O=C(CN1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC1)N1CCCC1 ZINC000775648947 681321448 /nfs/dbraw/zinc/32/14/48/681321448.db2.gz JNPGIUKAJYDZFD-UHFFFAOYSA-N 0 3 369.868 2.315 20 10 FECDHN O=C(CN1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1)N1CCCC1 ZINC000775648947 681321450 /nfs/dbraw/zinc/32/14/50/681321450.db2.gz JNPGIUKAJYDZFD-UHFFFAOYSA-N 0 3 369.868 2.315 20 10 FECDHN CC1(C)CN(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591207 681400575 /nfs/dbraw/zinc/40/05/75/681400575.db2.gz RSRSLFFPHQDIFU-INIZCTEOSA-N 0 3 365.905 2.468 20 10 FECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c1[O-] ZINC000848926071 681643301 /nfs/dbraw/zinc/64/33/01/681643301.db2.gz KTHRJRQEINIFHD-GFCCVEGCSA-N 0 3 351.248 2.239 20 10 FECDHN CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000851714720 682109582 /nfs/dbraw/zinc/10/95/82/682109582.db2.gz USDQFPUCOPOUTP-KRWDZBQOSA-N 0 3 372.402 2.402 20 10 FECDHN COCCCN(CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000783727794 682170810 /nfs/dbraw/zinc/17/08/10/682170810.db2.gz DRTKRTZWSDTFCJ-UHFFFAOYSA-N 0 3 351.447 2.416 20 10 FECDHN O=S1(=O)CC(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000787416527 682456398 /nfs/dbraw/zinc/45/63/98/682456398.db2.gz FOVXUKNFEBBACL-UHFFFAOYSA-N 0 3 361.463 2.496 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c1[O-] ZINC000857084365 682852857 /nfs/dbraw/zinc/85/28/57/682852857.db2.gz OLJYIDDXSBGAFR-BXKDBHETSA-N 0 3 357.248 2.435 20 10 FECDHN CCOCc1cc(CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1OC ZINC000858252298 682949272 /nfs/dbraw/zinc/94/92/72/682949272.db2.gz BAEJNOXHXDILAB-IAGOWNOFSA-N 0 3 370.515 2.182 20 10 FECDHN CN1CCN(c2ccc(CNCc3nc(Br)c[nH]3)cc2)CC1 ZINC000922333154 683699936 /nfs/dbraw/zinc/69/99/36/683699936.db2.gz MAGSYVCNEVTYTK-UHFFFAOYSA-N 0 3 364.291 2.214 20 10 FECDHN CC(C)CC[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000876732189 686255794 /nfs/dbraw/zinc/25/57/94/686255794.db2.gz YKJASFDVRAYOOV-KRWDZBQOSA-N 0 3 351.466 2.167 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)c2ccn(C(F)F)n2)N(C)C)cc1 ZINC000891249644 689040110 /nfs/dbraw/zinc/04/01/10/689040110.db2.gz VHZHJKNUVQWKRN-HNNXBMFYSA-N 0 3 351.401 2.377 20 10 FECDHN CCO[C@@H]1C[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@H]1OC ZINC000894843295 689607035 /nfs/dbraw/zinc/60/70/35/689607035.db2.gz KFJGXVFCNDBBFK-LZLYRXPVSA-N 0 3 356.413 2.083 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)NCC2SCCS2)N(C)C)cc1 ZINC000895873417 689785830 /nfs/dbraw/zinc/78/58/30/689785830.db2.gz SUTZRPIFIHPQEG-OAHLLOKOSA-N 0 3 368.572 2.461 20 10 FECDHN CCC[C@@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899095965 690302929 /nfs/dbraw/zinc/30/29/29/690302929.db2.gz NYZDMFLAHDTLQO-MSOLQXFVSA-N 0 3 350.507 2.206 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)N2C[C@H]3[C@@H](C2)C3(F)F)N(C)C)cc1 ZINC000899097841 690303305 /nfs/dbraw/zinc/30/33/05/690303305.db2.gz HUZOYLKERLBDNP-OWCLPIDISA-N 0 3 352.429 2.262 20 10 FECDHN COCCCCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098616 690303377 /nfs/dbraw/zinc/30/33/77/690303377.db2.gz QBLIFRMLVNYBTR-SFHVURJKSA-N 0 3 350.507 2.423 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)OCC(F)(F)F)N(C)C)cc1 ZINC000899099256 690303782 /nfs/dbraw/zinc/30/37/82/690303782.db2.gz XPTGGKFERZJIOA-CQSZACIVSA-N 0 3 362.396 2.491 20 10 FECDHN CCN(C[C@@H](C)OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105510 690305136 /nfs/dbraw/zinc/30/51/36/690305136.db2.gz XTFHJHPLYVNGRQ-CRAIPNDOSA-N 0 3 350.507 2.422 20 10 FECDHN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN(C2CCCC2)CC1 ZINC000054787359 540609900 /nfs/dbraw/zinc/60/99/00/540609900.db2.gz ZJVQZRTZRIMWCX-UHFFFAOYSA-N 0 3 372.513 2.293 20 10 FECDHN CCCCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000801597899 674139794 /nfs/dbraw/zinc/13/97/94/674139794.db2.gz QTDOFDJPTHETAN-UHFFFAOYSA-N 0 3 361.364 2.382 20 10 FECDHN C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090183684 542783804 /nfs/dbraw/zinc/78/38/04/542783804.db2.gz VFHZSVFMHUISQC-CQSZACIVSA-N 0 3 370.490 2.138 20 10 FECDHN CCn1ccnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c1=O ZINC000091017482 542790969 /nfs/dbraw/zinc/79/09/69/542790969.db2.gz WQKWAHHACKZNIW-UHFFFAOYSA-N 0 3 367.497 2.407 20 10 FECDHN C[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)N(C)C1CC1 ZINC000105266642 543167754 /nfs/dbraw/zinc/16/77/54/543167754.db2.gz PATPECNSZBUWOK-MRXNPFEDSA-N 0 3 360.502 2.147 20 10 FECDHN O=C1COc2cc([N+](=O)[O-])c(N3CCN(C4CCCCC4)CC3)cc2N1 ZINC000152427627 544652576 /nfs/dbraw/zinc/65/25/76/544652576.db2.gz GNYOJDCLMWGIMQ-UHFFFAOYSA-N 0 3 360.414 2.380 20 10 FECDHN COc1ccc(-n2c(C)cc(C(=O)NC[C@@](C)(O)CN(C)C)c2C)cc1 ZINC000153148692 544738707 /nfs/dbraw/zinc/73/87/07/544738707.db2.gz GJGXDQVVDHHQKW-HXUWFJFHSA-N 0 3 359.470 2.145 20 10 FECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCNS(C)(=O)=O)c1[O-] ZINC000186962068 548228627 /nfs/dbraw/zinc/22/86/27/548228627.db2.gz CZGUCLSCCQPCRZ-JTQLQIEISA-N 0 3 365.293 2.053 20 10 FECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c1[O-] ZINC000186996001 548236941 /nfs/dbraw/zinc/23/69/41/548236941.db2.gz KGUJJABNSBCSSR-LLVKDONJSA-N 0 3 371.275 2.396 20 10 FECDHN CC1CCN(c2ccc(CNC(=O)c3[nH]nc4c3CNCC4)cc2)CC1 ZINC000188761195 548287217 /nfs/dbraw/zinc/28/72/17/548287217.db2.gz IADDZMAKJWMRIV-UHFFFAOYSA-N 0 3 353.470 2.222 20 10 FECDHN CCOc1ccc(O)c(CN[C@H]2CCCN(c3ccnn3CC)C2=O)c1 ZINC000191641025 548348118 /nfs/dbraw/zinc/34/81/18/548348118.db2.gz NNOQQEXYLRFVEA-INIZCTEOSA-N 0 3 358.442 2.293 20 10 FECDHN CCOc1cccc(CN[C@@H]2CCCN(c3ccnn3CC)C2=O)c1O ZINC000191642469 548348177 /nfs/dbraw/zinc/34/81/77/548348177.db2.gz MJHZOQSEZFVSJP-OAHLLOKOSA-N 0 3 358.442 2.293 20 10 FECDHN COc1cc(O)c(CN2CCC[C@H](c3nc(N(C)C)no3)C2)cc1OC ZINC000194924065 548552354 /nfs/dbraw/zinc/55/23/54/548552354.db2.gz RBARZDZCTKWKNW-LBPRGKRZSA-N 0 3 362.430 2.238 20 10 FECDHN COc1cc(O)c(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000245608180 548957048 /nfs/dbraw/zinc/95/70/48/548957048.db2.gz ACYXHKRKNQRQQJ-HLLBOEOZSA-N 0 3 364.486 2.483 20 10 FECDHN O=S(=O)(CCNCc1cc2c(cc1O)OCO2)c1ccc(Cl)cc1 ZINC000263709890 549923479 /nfs/dbraw/zinc/92/34/79/549923479.db2.gz TYRZZKQEZSWETL-UHFFFAOYSA-N 0 3 369.826 2.338 20 10 FECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCN(C)CCCOC ZINC000266803295 550024030 /nfs/dbraw/zinc/02/40/30/550024030.db2.gz OHWUOGHJVKHHEB-UHFFFAOYSA-N 0 3 350.507 2.252 20 10 FECDHN COc1cccc(CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)c1O ZINC000266799330 550024059 /nfs/dbraw/zinc/02/40/59/550024059.db2.gz MRDFMUURWOTFQN-UHFFFAOYSA-N 0 3 369.465 2.299 20 10 FECDHN O=C(NCc1ccccc1O)NCc1ccccc1CN1CCC(O)CC1 ZINC000267336504 550030155 /nfs/dbraw/zinc/03/01/55/550030155.db2.gz MXLHXOFEDQSMAO-UHFFFAOYSA-N 0 3 369.465 2.348 20 10 FECDHN CO[C@H](C)c1noc(CN2CCCN(Cc3cccc(C)c3O)CC2)n1 ZINC000271809876 550403407 /nfs/dbraw/zinc/40/34/07/550403407.db2.gz LZQUDJMOYRQUCN-OAHLLOKOSA-N 0 3 360.458 2.499 20 10 FECDHN CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3cccc(C)c3[O-])CC2)n1 ZINC000271809876 550403409 /nfs/dbraw/zinc/40/34/09/550403409.db2.gz LZQUDJMOYRQUCN-OAHLLOKOSA-N 0 3 360.458 2.499 20 10 FECDHN CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3cccc(C)c3[O-])CC2)n1 ZINC000271809876 550403410 /nfs/dbraw/zinc/40/34/10/550403410.db2.gz LZQUDJMOYRQUCN-OAHLLOKOSA-N 0 3 360.458 2.499 20 10 FECDHN COc1ccc(O)c([C@H](C)NCc2ccc(OCC(N)=O)c(OC)c2)c1 ZINC000273572530 550503762 /nfs/dbraw/zinc/50/37/62/550503762.db2.gz KYPULMVLPLXFFI-LBPRGKRZSA-N 0 3 360.410 2.124 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)c1 ZINC000273572530 550503763 /nfs/dbraw/zinc/50/37/63/550503763.db2.gz KYPULMVLPLXFFI-LBPRGKRZSA-N 0 3 360.410 2.124 20 10 FECDHN O=C(NCc1ccccc1O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277087415 550630786 /nfs/dbraw/zinc/63/07/86/550630786.db2.gz UYMGAESISAXGIJ-LJQANCHMSA-N 0 3 369.465 2.483 20 10 FECDHN CCCOc1ccc(C[N@H+]2C[C@H](OCCOC)C[C@H](CO)C2)c([O-])c1 ZINC000278748029 550817537 /nfs/dbraw/zinc/81/75/37/550817537.db2.gz RTKHSRJYAMFCKF-MAUKXSAKSA-N 0 3 353.459 2.027 20 10 FECDHN CCCOc1ccc(C[N@@H+]2C[C@H](OCCOC)C[C@H](CO)C2)c([O-])c1 ZINC000278748029 550817538 /nfs/dbraw/zinc/81/75/38/550817538.db2.gz RTKHSRJYAMFCKF-MAUKXSAKSA-N 0 3 353.459 2.027 20 10 FECDHN CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(C)cc1[O-] ZINC000280106496 550961243 /nfs/dbraw/zinc/96/12/43/550961243.db2.gz NLUMAQPHXSJHER-DOTOQJQBSA-N 0 3 370.515 2.230 20 10 FECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1[O-] ZINC000289739137 552371097 /nfs/dbraw/zinc/37/10/97/552371097.db2.gz ILEACIMTPNAGHW-CYBMUJFWSA-N 0 3 374.890 2.100 20 10 FECDHN Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c([O-])c1 ZINC000294652588 552924037 /nfs/dbraw/zinc/92/40/37/552924037.db2.gz GUPCUVNYBPVWRL-HOTGVXAUSA-N 0 3 370.515 2.148 20 10 FECDHN C[C@@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCN(C2CC2)C1 ZINC000295448566 553008495 /nfs/dbraw/zinc/00/84/95/553008495.db2.gz ATQLXQJKQBXDQA-URPWPPKMSA-N 0 3 369.509 2.479 20 10 FECDHN CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297018931 553242903 /nfs/dbraw/zinc/24/29/03/553242903.db2.gz UHKWICFXALNFKZ-INIZCTEOSA-N 0 3 352.500 2.419 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1[O-] ZINC000361392590 554920975 /nfs/dbraw/zinc/92/09/75/554920975.db2.gz WWSRHSDOVGAFCZ-OASPWFOLSA-N 0 3 369.259 2.262 20 10 FECDHN O=[N+]([O-])c1cnn([C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000364325561 555291688 /nfs/dbraw/zinc/29/16/88/555291688.db2.gz COBPATIXUBXUDJ-SFHVURJKSA-N 0 3 371.441 2.465 20 10 FECDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000365338938 555547796 /nfs/dbraw/zinc/54/77/96/555547796.db2.gz SHTRDQSZIAQXJI-KBAYOESNSA-N 0 3 361.486 2.423 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)c1[O-] ZINC000367175183 556003099 /nfs/dbraw/zinc/00/30/99/556003099.db2.gz ZIHBMDGKEUIILX-CHWSQXEVSA-N 0 3 369.259 2.406 20 10 FECDHN C[C@@H](N[C@@H]1CCN(c2ccn(C)n2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000368318982 556277077 /nfs/dbraw/zinc/27/70/77/556277077.db2.gz OXFYLZYOCIIBIS-CXAGYDPISA-N 0 3 354.454 2.461 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1 ZINC000370010638 556756637 /nfs/dbraw/zinc/75/66/37/556756637.db2.gz PMJDILIRMFNOGK-SFHVURJKSA-N 0 3 369.513 2.009 20 10 FECDHN CCOc1ccc(O)c(CN2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c1 ZINC000372039830 557364005 /nfs/dbraw/zinc/36/40/05/557364005.db2.gz VZQABUKCWNBGGP-CQSZACIVSA-N 0 3 360.414 2.006 20 10 FECDHN C[C@H](N[C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(N2CCC(O)CC2)cc1 ZINC000374516381 557893664 /nfs/dbraw/zinc/89/36/64/557893664.db2.gz XHGSIMVHARUJAA-YSSFQJQWSA-N 0 3 357.498 2.452 20 10 FECDHN C[C@H](N[C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375845469 558088375 /nfs/dbraw/zinc/08/83/75/558088375.db2.gz BOGVYUKRRLNPOM-DOTOQJQBSA-N 0 3 373.476 2.325 20 10 FECDHN COc1cccc(CN2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1O ZINC000377701570 558400653 /nfs/dbraw/zinc/40/06/53/558400653.db2.gz UBUSTSPCLCYTAJ-HZPDHXFCSA-N 0 3 364.442 2.270 20 10 FECDHN COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000527775346 562303661 /nfs/dbraw/zinc/30/36/61/562303661.db2.gz SQAVWWSIWJGBFG-MRXNPFEDSA-N 0 3 356.422 2.494 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000530238403 562403527 /nfs/dbraw/zinc/40/35/27/562403527.db2.gz NIRPHOMPWWPUSM-QGZVFWFLSA-N 0 3 350.434 2.324 20 10 FECDHN O=C(CCc1ncc[nH]1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000807108520 674405323 /nfs/dbraw/zinc/40/53/23/674405323.db2.gz XNOYDRMIBGURCY-HNNXBMFYSA-N 0 3 362.861 2.482 20 10 FECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000809705768 674506285 /nfs/dbraw/zinc/50/62/85/674506285.db2.gz ZFBSCYAYNSYLEM-PXAZEXFGSA-N 0 3 367.833 2.007 20 10 FECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000809705768 674506287 /nfs/dbraw/zinc/50/62/87/674506287.db2.gz ZFBSCYAYNSYLEM-PXAZEXFGSA-N 0 3 367.833 2.007 20 10 FECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000809705771 674506318 /nfs/dbraw/zinc/50/63/18/674506318.db2.gz ZFBSCYAYNSYLEM-YVEFUNNKSA-N 0 3 367.833 2.007 20 10 FECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000809705771 674506319 /nfs/dbraw/zinc/50/63/19/674506319.db2.gz ZFBSCYAYNSYLEM-YVEFUNNKSA-N 0 3 367.833 2.007 20 10 FECDHN CCN(C)c1ccc(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000815116259 674920856 /nfs/dbraw/zinc/92/08/56/674920856.db2.gz GQVFHDDJMBWLIS-QGZVFWFLSA-N 0 3 353.532 2.246 20 10 FECDHN CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c([O-])c1 ZINC000725846264 673094216 /nfs/dbraw/zinc/09/42/16/673094216.db2.gz AHGJXBZQAFNTOS-UHFFFAOYSA-N 0 3 364.467 2.331 20 10 FECDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000818360761 675216274 /nfs/dbraw/zinc/21/62/74/675216274.db2.gz CFAPIJFMVPEPPQ-JOYOIKCWSA-N 0 3 355.232 2.261 20 10 FECDHN COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3[O-])C2)nn1 ZINC000825514665 675657031 /nfs/dbraw/zinc/65/70/31/675657031.db2.gz ROWOARVCLZACKQ-LBPRGKRZSA-N 0 3 350.806 2.179 20 10 FECDHN COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)nn1 ZINC000825514665 675657032 /nfs/dbraw/zinc/65/70/32/675657032.db2.gz ROWOARVCLZACKQ-LBPRGKRZSA-N 0 3 350.806 2.179 20 10 FECDHN O=S1(=O)CC[C@H](CCN(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000760855657 680703469 /nfs/dbraw/zinc/70/34/69/680703469.db2.gz HAQHIHIGNNPZRR-DOTOQJQBSA-N 0 3 353.484 2.198 20 10 FECDHN CC(C)[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)N(C)C ZINC000837706897 680637977 /nfs/dbraw/zinc/63/79/77/680637977.db2.gz HZOKYUIGOFJXLE-INIZCTEOSA-N 0 3 355.429 2.004 20 10 FECDHN CCOC1CC(O)(C[NH2+]Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000767737908 680924511 /nfs/dbraw/zinc/92/45/11/680924511.db2.gz KDMQGQJAAGAMHE-UHFFFAOYSA-N 0 3 360.248 2.183 20 10 FECDHN CCOc1ccc(O)c(CNC[C@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000842722571 680962267 /nfs/dbraw/zinc/96/22/67/680962267.db2.gz RLPJJLPZNQDCMF-HNNXBMFYSA-N 0 3 363.435 2.115 20 10 FECDHN CCOc1ccc(C[NH+]2CCC(C(=O)NCCCOC)CC2)c([O-])c1 ZINC000768985029 680967062 /nfs/dbraw/zinc/96/70/62/680967062.db2.gz NVVWYVOZDNZHBP-UHFFFAOYSA-N 0 3 350.459 2.156 20 10 FECDHN O=CN1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000774193113 681172319 /nfs/dbraw/zinc/17/23/19/681172319.db2.gz SUAJOFWRAOTCMC-KRWDZBQOSA-N 0 3 351.878 2.220 20 10 FECDHN C[C@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000846182202 681197020 /nfs/dbraw/zinc/19/70/20/681197020.db2.gz AIMYHOCSTGJFFM-DOTOQJQBSA-N 0 3 351.516 2.361 20 10 FECDHN COC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@@H]1CCCO1 ZINC000788537420 682537524 /nfs/dbraw/zinc/53/75/24/682537524.db2.gz WJACEEIDKFUZJD-OLZOCXBDSA-N 0 3 360.248 2.447 20 10 FECDHN Cc1cc(Br)cc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1O ZINC000793591837 682898110 /nfs/dbraw/zinc/89/81/10/682898110.db2.gz RJIZVHHNHOCNBZ-STQMWFEESA-N 0 3 357.292 2.350 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)c1[O-] ZINC000858472342 682971500 /nfs/dbraw/zinc/97/15/00/682971500.db2.gz YFCKWRKQAOKTOH-XDTLVQLUSA-N 0 3 360.248 2.354 20 10 FECDHN C[C@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(O)c1 ZINC000799717215 683488101 /nfs/dbraw/zinc/48/81/01/683488101.db2.gz LFZZRVBNIHWITD-HNNXBMFYSA-N 0 3 360.479 2.478 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1[O-] ZINC000922724101 683773121 /nfs/dbraw/zinc/77/31/21/683773121.db2.gz DLNHLZMGTVMBHY-QKCSRTOESA-N 0 3 358.232 2.057 20 10 FECDHN CN1CCN(c2ccc(CNCc3nc4c(s3)COCC4)cc2)CC1 ZINC000922958542 683811710 /nfs/dbraw/zinc/81/17/10/683811710.db2.gz JPBKNTXQCDOAGO-UHFFFAOYSA-N 0 3 358.511 2.257 20 10 FECDHN COc1cc(N2CCN(CCC[C@@H]3CCO3)CC2)cc(OC)c1OC ZINC000877345367 686358461 /nfs/dbraw/zinc/35/84/61/686358461.db2.gz BQFVCUFDISTWQG-MRXNPFEDSA-N 0 3 350.459 2.404 20 10 FECDHN CS(=O)(=O)C1(CNCc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000877519767 686400286 /nfs/dbraw/zinc/40/02/86/686400286.db2.gz VCNTXSUEMKCBNK-UHFFFAOYSA-N 0 3 366.527 2.095 20 10 FECDHN O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877799001 686465491 /nfs/dbraw/zinc/46/54/91/686465491.db2.gz HDTBQDHWTUVPAG-KBRIMQKVSA-N 0 3 350.434 2.163 20 10 FECDHN O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877799001 686465497 /nfs/dbraw/zinc/46/54/97/686465497.db2.gz HDTBQDHWTUVPAG-KBRIMQKVSA-N 0 3 350.434 2.163 20 10 FECDHN COc1ccc(CNCc2ccc(S(C)(=O)=O)cc2)c(O)c1OC ZINC000892724013 689235146 /nfs/dbraw/zinc/23/51/46/689235146.db2.gz RBBLWIMOPWSCKJ-UHFFFAOYSA-N 0 3 351.424 2.103 20 10 FECDHN C[C@H](CO)CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893875719 689421868 /nfs/dbraw/zinc/42/18/68/689421868.db2.gz PJETWKKQZGSRCC-YJBOKZPZSA-N 0 3 350.507 2.063 20 10 FECDHN Cc1nnsc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895022414 689642424 /nfs/dbraw/zinc/64/24/24/689642424.db2.gz LUDLGNINCQWFSC-HNNXBMFYSA-N 0 3 362.503 2.015 20 10 FECDHN CNC(=O)C1(NCc2ccc(N(C)C)cc2C(F)(F)F)CCOCC1 ZINC000895883908 689788295 /nfs/dbraw/zinc/78/82/95/689788295.db2.gz GRRXNEXGOSQRCT-UHFFFAOYSA-N 0 3 359.392 2.156 20 10 FECDHN COc1cccc(O)c1CNCc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898287004 690154938 /nfs/dbraw/zinc/15/49/38/690154938.db2.gz OUFOCHJEEIPJRA-UHFFFAOYSA-N 0 3 350.440 2.086 20 10 FECDHN CC[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)N(C)C ZINC000900270163 690493089 /nfs/dbraw/zinc/49/30/89/690493089.db2.gz ZWPYGKGRVCTTRC-CPUCHLNUSA-N 0 3 351.466 2.396 20 10 FECDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000160557747 546050887 /nfs/dbraw/zinc/05/08/87/546050887.db2.gz HRODTCOHRUMOLX-XJKSGUPXSA-N 0 3 359.449 2.228 20 10 FECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)C1(OC)CC[NH2+]CC1 ZINC000162525594 546140579 /nfs/dbraw/zinc/14/05/79/546140579.db2.gz LLVZUMORBNABGR-UHFFFAOYSA-N 0 3 371.275 2.272 20 10 FECDHN COc1ccc(N2CCN(CCCN[C@H](C)c3cnccn3)CC2)cc1 ZINC000162810012 546141333 /nfs/dbraw/zinc/14/13/33/546141333.db2.gz OFRWUBNPHOKJKR-QGZVFWFLSA-N 0 3 355.486 2.348 20 10 FECDHN C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H](N)c1ccccc1 ZINC000165185185 546152377 /nfs/dbraw/zinc/15/23/77/546152377.db2.gz HUUMOEVRHNTBLA-OXJNMPFZSA-N 0 3 353.466 2.476 20 10 FECDHN Cc1cc(Br)cc(C[N@@H+](CCO)C2CCN(C)CC2)c1[O-] ZINC000183377763 547647674 /nfs/dbraw/zinc/64/76/74/547647674.db2.gz LPVHPAJWKIMCPP-UHFFFAOYSA-N 0 3 357.292 2.352 20 10 FECDHN Cc1cc(Br)cc(C[N@H+](CCO)C2CCN(C)CC2)c1[O-] ZINC000183377763 547647678 /nfs/dbraw/zinc/64/76/78/547647678.db2.gz LPVHPAJWKIMCPP-UHFFFAOYSA-N 0 3 357.292 2.352 20 10 FECDHN CN(C)C1(CN(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCC1 ZINC000188019946 548269820 /nfs/dbraw/zinc/26/98/20/548269820.db2.gz HBPDIWMIVGDQIJ-JXMROGBWSA-N 0 3 357.498 2.479 20 10 FECDHN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(F)ccc1[O-] ZINC000189162902 548297583 /nfs/dbraw/zinc/29/75/83/548297583.db2.gz ANHKDXVGAADGKR-GFCCVEGCSA-N 0 3 353.415 2.148 20 10 FECDHN NC(=O)C1CCN(Cc2cccc(NC(=O)Cc3ccc(N)cc3)c2)CC1 ZINC000262665065 549837123 /nfs/dbraw/zinc/83/71/23/549837123.db2.gz PDKBPBMMFPCWLI-UHFFFAOYSA-N 0 3 366.465 2.147 20 10 FECDHN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000264583439 549998582 /nfs/dbraw/zinc/99/85/82/549998582.db2.gz KDZCQKNDMFHSJX-FQEVSTJZSA-N 0 3 372.513 2.293 20 10 FECDHN C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1C ZINC000266765803 550023861 /nfs/dbraw/zinc/02/38/61/550023861.db2.gz PSLNMKPKVKADQZ-APWZRJJASA-N 0 3 360.502 2.147 20 10 FECDHN C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1C ZINC000266765813 550024147 /nfs/dbraw/zinc/02/41/47/550024147.db2.gz PSLNMKPKVKADQZ-QFBILLFUSA-N 0 3 360.502 2.147 20 10 FECDHN COc1ccc(N2CCN(CCN[C@H]3CCCc4c3cnn4C)CC2)cc1 ZINC000268825786 550120130 /nfs/dbraw/zinc/12/01/30/550120130.db2.gz NGMCUOPGUYKNPM-FQEVSTJZSA-N 0 3 369.513 2.218 20 10 FECDHN CC[C@H](NCCN1CCN(c2ccc(OC)cc2)CC1)c1cnn(C)c1 ZINC000268820081 550120165 /nfs/dbraw/zinc/12/01/65/550120165.db2.gz LORGQBFHKMMKBJ-FQEVSTJZSA-N 0 3 357.502 2.292 20 10 FECDHN Cc1cc(O)c(CN2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1C ZINC000269314082 550180049 /nfs/dbraw/zinc/18/00/49/550180049.db2.gz GVFYRYNHFOGWQQ-OAHLLOKOSA-N 0 3 352.442 2.157 20 10 FECDHN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000273391894 550496720 /nfs/dbraw/zinc/49/67/20/550496720.db2.gz KWJIKDDLJHGSPL-LBPRGKRZSA-N 0 3 350.440 2.160 20 10 FECDHN Cn1cc([C@@H]2C[N@H+](Cc3cc4c(cc3[O-])OCO4)CC23CCOCC3)cn1 ZINC000295044063 552953706 /nfs/dbraw/zinc/95/37/06/552953706.db2.gz OZGPZMFFJNYING-INIZCTEOSA-N 0 3 371.437 2.251 20 10 FECDHN Cn1cc([C@@H]2C[N@@H+](Cc3cc4c(cc3[O-])OCO4)CC23CCOCC3)cn1 ZINC000295044063 552953708 /nfs/dbraw/zinc/95/37/08/552953708.db2.gz OZGPZMFFJNYING-INIZCTEOSA-N 0 3 371.437 2.251 20 10 FECDHN COC1CCN(c2ccc(CN3CC[C@H](NC(=O)NC4CC4)C3)cc2)CC1 ZINC000295685143 553044383 /nfs/dbraw/zinc/04/43/83/553044383.db2.gz HQAWINUHFUFZPO-SFHVURJKSA-N 0 3 372.513 2.338 20 10 FECDHN C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000359958535 554857586 /nfs/dbraw/zinc/85/75/86/554857586.db2.gz KGTFPYFJGZQRQS-PXNSSMCTSA-N 0 3 373.541 2.328 20 10 FECDHN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360078415 554861787 /nfs/dbraw/zinc/86/17/87/554861787.db2.gz HXILEPZRDVBMTN-RDJZCZTQSA-N 0 3 373.476 2.325 20 10 FECDHN Cn1cc([C@@H]2[C@H](C[NH2+]Cc3cc4c(cc3[O-])OCO4)CCCN2C)cn1 ZINC000363177511 555046229 /nfs/dbraw/zinc/04/62/29/555046229.db2.gz VHUMSXXZVXUVAX-DJJJIMSYSA-N 0 3 358.442 2.027 20 10 FECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000363711243 555169039 /nfs/dbraw/zinc/16/90/39/555169039.db2.gz GRVHMQJSXXQLTP-OAHLLOKOSA-N 0 3 372.469 2.141 20 10 FECDHN COc1cc(Cl)cc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC000363909064 555211457 /nfs/dbraw/zinc/21/14/57/555211457.db2.gz MUAKMGDJNWQKID-HZPDHXFCSA-N 0 3 354.878 2.475 20 10 FECDHN COc1cc(Cl)cc(CN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC000363909064 555211458 /nfs/dbraw/zinc/21/14/58/555211458.db2.gz MUAKMGDJNWQKID-HZPDHXFCSA-N 0 3 354.878 2.475 20 10 FECDHN CN(C)c1ccc(CN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000365146739 555494811 /nfs/dbraw/zinc/49/48/11/555494811.db2.gz OIQCGUVYWVDTGY-UXHICEINSA-N 0 3 372.513 2.290 20 10 FECDHN C[C@H](N[C@H]1CCN(c2ccn(C)n2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000368318984 556277040 /nfs/dbraw/zinc/27/70/40/556277040.db2.gz OXFYLZYOCIIBIS-GUYCJALGSA-N 0 3 354.454 2.461 20 10 FECDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000369566078 556633153 /nfs/dbraw/zinc/63/31/53/556633153.db2.gz OXFKCKODXKKALR-GOSISDBHSA-N 0 3 359.514 2.208 20 10 FECDHN COC(=O)c1ccnc(N2CCC([NH2+]Cc3cc(F)ccc3[O-])CC2)c1 ZINC000373121941 557633504 /nfs/dbraw/zinc/63/35/04/557633504.db2.gz DGNGXFYZZVPLNH-UHFFFAOYSA-N 0 3 359.401 2.472 20 10 FECDHN CCc1nc(CN2C[C@H]3CN(Cc4ccc(N(C)C)c(F)c4)C[C@@H]3C2)no1 ZINC000378347095 558534786 /nfs/dbraw/zinc/53/47/86/558534786.db2.gz BZBXAZMOZKXVTE-HZPDHXFCSA-N 0 3 373.476 2.401 20 10 FECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)c1[O-] ZINC000808700003 674469162 /nfs/dbraw/zinc/46/91/62/674469162.db2.gz ATXUZHHZIBEXMY-NSHDSACASA-N 0 3 373.862 2.112 20 10 FECDHN COc1cc(Br)cc(CN2C[C@H](C(N)=O)CC[C@@H]2C)c1O ZINC000159534319 672283160 /nfs/dbraw/zinc/28/31/60/672283160.db2.gz PUTMESBZBLWACS-VHSXEESVSA-N 0 3 357.248 2.249 20 10 FECDHN CCN1CCN(c2ccc(CNC[C@](C)(O)C(F)(F)F)cc2F)CC1 ZINC000819033066 675254328 /nfs/dbraw/zinc/25/43/28/675254328.db2.gz LXEBQDNSEFGYHF-INIZCTEOSA-N 0 3 363.399 2.371 20 10 FECDHN Cc1cc(Br)cc(C[NH2+]CCCCS(C)(=O)=O)c1[O-] ZINC000822494237 675488293 /nfs/dbraw/zinc/48/82/93/675488293.db2.gz KHWHPYSJSCHFEM-UHFFFAOYSA-N 0 3 350.278 2.378 20 10 FECDHN COc1cc(Br)cc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000824502319 675607021 /nfs/dbraw/zinc/60/70/21/675607021.db2.gz ZYKQIDSWTUWYNG-ZFWWWQNUSA-N 0 3 371.275 2.068 20 10 FECDHN COc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000824502319 675607022 /nfs/dbraw/zinc/60/70/22/675607022.db2.gz ZYKQIDSWTUWYNG-ZFWWWQNUSA-N 0 3 371.275 2.068 20 10 FECDHN CCOc1ccc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000824563762 675610785 /nfs/dbraw/zinc/61/07/85/675610785.db2.gz BZRRBWRXYZKLHG-CQSZACIVSA-N 0 3 354.447 2.108 20 10 FECDHN CCOc1ccc(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000824563762 675610787 /nfs/dbraw/zinc/61/07/87/675610787.db2.gz BZRRBWRXYZKLHG-CQSZACIVSA-N 0 3 354.447 2.108 20 10 FECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824828178 675623844 /nfs/dbraw/zinc/62/38/44/675623844.db2.gz LUJXAVSJZPLHQJ-RYUDHWBXSA-N 0 3 358.360 2.243 20 10 FECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824828178 675623845 /nfs/dbraw/zinc/62/38/45/675623845.db2.gz LUJXAVSJZPLHQJ-RYUDHWBXSA-N 0 3 358.360 2.243 20 10 FECDHN COc1cc(Br)cc(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)c1O ZINC000824926375 675629242 /nfs/dbraw/zinc/62/92/42/675629242.db2.gz MXOTYNCKPKIXTC-TXEJJXNPSA-N 0 3 373.291 2.050 20 10 FECDHN Cc1cc(Br)cc(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)c1O ZINC000824925864 675629267 /nfs/dbraw/zinc/62/92/67/675629267.db2.gz GRFZTUIMXXJXAF-BETUJISGSA-N 0 3 357.292 2.350 20 10 FECDHN N[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827321382 675748267 /nfs/dbraw/zinc/74/82/67/675748267.db2.gz WXUAQESVFCOYLD-LJQANCHMSA-N 0 3 355.507 2.426 20 10 FECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@H](N)CC(F)F)cc2F)C[C@@H](C)O1 ZINC000827365412 675751298 /nfs/dbraw/zinc/75/12/98/675751298.db2.gz RQMDJQUIKJUXSQ-JTNHKYCSSA-N 0 3 359.392 2.038 20 10 FECDHN Cc1cc(CN2CCC[C@@H](CS(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000827963445 675789383 /nfs/dbraw/zinc/78/93/83/675789383.db2.gz LMCNSDYOSMZMLO-GOSISDBHSA-N 0 3 365.543 2.486 20 10 FECDHN CCOc1ccc(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c([O-])c1 ZINC000839176606 680742968 /nfs/dbraw/zinc/74/29/68/680742968.db2.gz LRMALFXMJLBTFD-KRWDZBQOSA-N 0 3 351.443 2.296 20 10 FECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c1[O-] ZINC000840898656 680851153 /nfs/dbraw/zinc/85/11/53/680851153.db2.gz ZQKSEIIABIQPPB-NSHDSACASA-N 0 3 351.838 2.175 20 10 FECDHN Cc1cc(N(C)C)ccc1CNCCNS(=O)(=O)c1cccs1 ZINC000840935700 680854910 /nfs/dbraw/zinc/85/49/10/680854910.db2.gz AUDPBNYUSBLBHU-UHFFFAOYSA-N 0 3 353.513 2.191 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1[O-] ZINC000840961904 680857408 /nfs/dbraw/zinc/85/74/08/680857408.db2.gz FXXDYWAXRWVFDR-ZWNOBZJWSA-N 0 3 360.248 2.040 20 10 FECDHN Nc1ccc(CCNC(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000841710003 680908656 /nfs/dbraw/zinc/90/86/56/680908656.db2.gz RLYVLLVNEGFYNP-UHFFFAOYSA-N 0 3 362.543 2.472 20 10 FECDHN Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cc(Br)ccc1[O-] ZINC000843123045 680989104 /nfs/dbraw/zinc/98/91/04/680989104.db2.gz YJIITAZEIICHHQ-CYBMUJFWSA-N 0 3 351.248 2.035 20 10 FECDHN CC(C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)N1CCN(C)CC1 ZINC000844869673 681089016 /nfs/dbraw/zinc/08/90/16/681089016.db2.gz ULYJHTNCBTXWNX-MRXNPFEDSA-N 0 3 368.909 2.117 20 10 FECDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000774482612 681194056 /nfs/dbraw/zinc/19/40/56/681194056.db2.gz GZYYBBQVBQAARZ-WDEREUQCSA-N 0 3 360.380 2.180 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c1[O-] ZINC000850344067 681888150 /nfs/dbraw/zinc/88/81/50/681888150.db2.gz ATDQFIYQZAUEQD-QMTHXVAHSA-N 0 3 360.248 2.304 20 10 FECDHN COc1cc(Br)cc(CN2CCN(C[C@H](C)O)C[C@H]2C)c1O ZINC000793590692 682897465 /nfs/dbraw/zinc/89/74/65/682897465.db2.gz ODFSARBCVRTRMR-NEPJUHHUSA-N 0 3 373.291 2.050 20 10 FECDHN C[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000927033719 683201094 /nfs/dbraw/zinc/20/10/94/683201094.db2.gz PZRGFOLXQNAPBA-CRAIPNDOSA-N 0 3 354.516 2.123 20 10 FECDHN Cc1nnc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000894097418 689465930 /nfs/dbraw/zinc/46/59/30/689465930.db2.gz BXTAATXZGXQKEF-OAHLLOKOSA-N 0 3 362.503 2.015 20 10 FECDHN COc1cc(C)cc(CNC[C@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000895076941 689655253 /nfs/dbraw/zinc/65/52/53/689655253.db2.gz WVONEJVYKRIJMK-AWEZNQCLSA-N 0 3 363.435 2.034 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)N(C)CCCCCO)N(C)C)cc1 ZINC000899103651 690305095 /nfs/dbraw/zinc/30/50/95/690305095.db2.gz NXZQXTZLVGRDGU-SFHVURJKSA-N 0 3 350.507 2.159 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CCCCCO)N(C)C)cc1 ZINC000899103650 690305157 /nfs/dbraw/zinc/30/51/57/690305157.db2.gz NXZQXTZLVGRDGU-GOSISDBHSA-N 0 3 350.507 2.159 20 10 FECDHN Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000328641700 210122257 /nfs/dbraw/zinc/12/22/57/210122257.db2.gz QSXSYTDDHIHWTO-WMZOPIPTSA-N 0 3 360.433 2.016 20 10 FECDHN CC(C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)S(C)(=O)=O ZINC000112815013 543464217 /nfs/dbraw/zinc/46/42/17/543464217.db2.gz YLEMKNXWNRJHPC-NSHDSACASA-N 0 3 366.405 2.077 20 10 FECDHN C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000114750590 543534954 /nfs/dbraw/zinc/53/49/54/543534954.db2.gz YLLLQIHNPVWQNC-CZUORRHYSA-N 0 3 371.403 2.337 20 10 FECDHN N[C@@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000129743602 544125893 /nfs/dbraw/zinc/12/58/93/544125893.db2.gz SASPNSACJSCTCM-SFHVURJKSA-N 0 3 357.429 2.369 20 10 FECDHN C[C@@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1ccccc1[O-] ZINC000154181541 544873813 /nfs/dbraw/zinc/87/38/13/544873813.db2.gz KPGAKMXLHPGTIH-CQSZACIVSA-N 0 3 354.454 2.340 20 10 FECDHN CCOc1cccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)c1O ZINC000159408964 545951167 /nfs/dbraw/zinc/95/11/67/545951167.db2.gz RBPSTGAJAQDGDT-HNNXBMFYSA-N 0 3 356.488 2.085 20 10 FECDHN CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000175592235 546317279 /nfs/dbraw/zinc/31/72/79/546317279.db2.gz OWGLQMQMKIGVAK-UXHICEINSA-N 0 3 358.530 2.270 20 10 FECDHN C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1[O-] ZINC000183552597 547680142 /nfs/dbraw/zinc/68/01/42/547680142.db2.gz JZSNHOUUJBRCKH-SNVBAGLBSA-N 0 3 352.378 2.357 20 10 FECDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c([O-])c1 ZINC000184981056 547911206 /nfs/dbraw/zinc/91/12/06/547911206.db2.gz UHWXVRSYPSCZMM-QGZVFWFLSA-N 0 3 355.486 2.354 20 10 FECDHN C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000185363747 547975220 /nfs/dbraw/zinc/97/52/20/547975220.db2.gz SWUMTGPEZXIUPE-QWHCGFSZSA-N 0 3 356.308 2.441 20 10 FECDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000272594545 550460037 /nfs/dbraw/zinc/46/00/37/550460037.db2.gz IEZCHTQVWBJILJ-NKVQNLSVSA-N 0 3 355.482 2.089 20 10 FECDHN CC(C)(C)N1CC[C@](F)(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000290127900 552431347 /nfs/dbraw/zinc/43/13/47/552431347.db2.gz ZXJUZBLIBVDTAB-HXUWFJFHSA-N 0 3 363.477 2.352 20 10 FECDHN COc1cc(O)c(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1OC ZINC000291198922 552599032 /nfs/dbraw/zinc/59/90/32/552599032.db2.gz HJYCBELRKYFNBH-CYBMUJFWSA-N 0 3 360.385 2.444 20 10 FECDHN CC[C@@H](CO)N1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000294919646 552944258 /nfs/dbraw/zinc/94/42/58/552944258.db2.gz IJBDEDVEPJSOCY-IBGZPJMESA-N 0 3 361.530 2.190 20 10 FECDHN COC1CCN(c2ccc(CN3CCN(C[C@H](C)O)C[C@@H]3C)cc2)CC1 ZINC000295653040 553039340 /nfs/dbraw/zinc/03/93/40/553039340.db2.gz DEYQDVHEPVTABK-ROUUACIJSA-N 0 3 361.530 2.189 20 10 FECDHN COC1CCN(c2ccc(CN(C)[C@H](C)CN3CCOCC3)cc2)CC1 ZINC000296102323 553104676 /nfs/dbraw/zinc/10/46/76/553104676.db2.gz UQDDIWZVYWLNHZ-GOSISDBHSA-N 0 3 361.530 2.454 20 10 FECDHN C[C@H](NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000296610315 553187382 /nfs/dbraw/zinc/18/73/82/553187382.db2.gz WGMXZELKTSSJHV-KSSFIOAISA-N 0 3 370.490 2.016 20 10 FECDHN O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])CC[C@@H]12 ZINC000366481799 555856510 /nfs/dbraw/zinc/85/65/10/555856510.db2.gz LMPZNRNGSPVOHA-QZTJIDSGSA-N 0 3 366.417 2.066 20 10 FECDHN O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])CC[C@@H]12 ZINC000366481799 555856513 /nfs/dbraw/zinc/85/65/13/555856513.db2.gz LMPZNRNGSPVOHA-QZTJIDSGSA-N 0 3 366.417 2.066 20 10 FECDHN Cc1cc(O)c(CN2CCC(S(=O)(=O)N3CCCC3)CC2)cc1C ZINC000367141039 556002124 /nfs/dbraw/zinc/00/21/24/556002124.db2.gz OZVFMWDDVVQHKV-UHFFFAOYSA-N 0 3 352.500 2.399 20 10 FECDHN COc1ccc(O)c(CN2CCCN(Cc3ncc(Cl)n3C)CC2)c1 ZINC000367730084 556125114 /nfs/dbraw/zinc/12/51/14/556125114.db2.gz WEZXNQUCAXMOEF-UHFFFAOYSA-N 0 3 364.877 2.496 20 10 FECDHN CCc1nc(CN2C[C@@H]3C[NH+]([C@H](C)c4cc(OC)ccc4[O-])C[C@H]3C2)no1 ZINC000368017601 556196170 /nfs/dbraw/zinc/19/61/70/556196170.db2.gz HVUZCFXKTQLQDE-RBSFLKMASA-N 0 3 372.469 2.471 20 10 FECDHN COC(=O)c1cn([C@@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)nn1 ZINC000368106398 556220262 /nfs/dbraw/zinc/22/02/62/556220262.db2.gz FFAMWGWADOQSCR-CQSZACIVSA-N 0 3 352.394 2.371 20 10 FECDHN COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)nn1 ZINC000368106398 556220263 /nfs/dbraw/zinc/22/02/63/556220263.db2.gz FFAMWGWADOQSCR-CQSZACIVSA-N 0 3 352.394 2.371 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)c3cnccn3)CC2)c1 ZINC000368219735 556251230 /nfs/dbraw/zinc/25/12/30/556251230.db2.gz ADXFNRSYOROBHX-CYBMUJFWSA-N 0 3 356.426 2.146 20 10 FECDHN COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000369025168 556479739 /nfs/dbraw/zinc/47/97/39/556479739.db2.gz KEJLXURLPQQCOI-HNNXBMFYSA-N 0 3 372.469 2.180 20 10 FECDHN COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000369025168 556479742 /nfs/dbraw/zinc/47/97/42/556479742.db2.gz KEJLXURLPQQCOI-HNNXBMFYSA-N 0 3 372.469 2.180 20 10 FECDHN CCOc1ccc(O)c(CN[C@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1 ZINC000373369156 557680949 /nfs/dbraw/zinc/68/09/49/557680949.db2.gz JIWJWSIFZRKHFP-SFHVURJKSA-N 0 3 370.453 2.170 20 10 FECDHN COc1ccc(CNC(=O)C2CCN(Cc3cccnc3)CC2)c(O)c1 ZINC000373664478 557734012 /nfs/dbraw/zinc/73/40/12/557734012.db2.gz DDUJBUFVKQSUEN-UHFFFAOYSA-N 0 3 355.438 2.324 20 10 FECDHN COc1cc(O)c(CNCC(=O)N[C@H]2CCOc3ccccc32)cc1OC ZINC000374325793 557865702 /nfs/dbraw/zinc/86/57/02/557865702.db2.gz CMKDJAMDWDFDIE-HNNXBMFYSA-N 0 3 372.421 2.139 20 10 FECDHN C[C@@H](N[C@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375845472 558088402 /nfs/dbraw/zinc/08/84/02/558088402.db2.gz BOGVYUKRRLNPOM-WBVHZDCISA-N 0 3 373.476 2.325 20 10 FECDHN COC(=O)c1ccnc(N2CCC[N@H+](Cc3cc(F)ccc3[O-])CC2)c1 ZINC000376829780 558226703 /nfs/dbraw/zinc/22/67/03/558226703.db2.gz WKSPAVYZXNGBIW-UHFFFAOYSA-N 0 3 359.401 2.425 20 10 FECDHN COC(=O)c1ccnc(N2CCC[N@@H+](Cc3cc(F)ccc3[O-])CC2)c1 ZINC000376829780 558226704 /nfs/dbraw/zinc/22/67/04/558226704.db2.gz WKSPAVYZXNGBIW-UHFFFAOYSA-N 0 3 359.401 2.425 20 10 FECDHN Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2cc(C)ccc2[O-])CC(=O)N1C ZINC000377300050 558309477 /nfs/dbraw/zinc/30/94/77/558309477.db2.gz SQUNAQYIJFTCDQ-OXJNMPFZSA-N 0 3 356.470 2.360 20 10 FECDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000527467020 562289081 /nfs/dbraw/zinc/28/90/81/562289081.db2.gz PYIWLYRHRRUVFL-INIZCTEOSA-N 0 3 371.529 2.169 20 10 FECDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528710631 562343208 /nfs/dbraw/zinc/34/32/08/562343208.db2.gz KQHGSVLRRYSSRF-LBPRGKRZSA-N 0 3 357.410 2.333 20 10 FECDHN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826210431 608500330 /nfs/dbraw/zinc/50/03/30/608500330.db2.gz RGNNHCAVFICVGP-LLVKDONJSA-N 0 3 355.398 2.440 20 10 FECDHN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826210431 608500331 /nfs/dbraw/zinc/50/03/31/608500331.db2.gz RGNNHCAVFICVGP-LLVKDONJSA-N 0 3 355.398 2.440 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@](C)(O)CSC)c1[O-] ZINC000120625443 671931311 /nfs/dbraw/zinc/93/13/11/671931311.db2.gz CNSSHHMVFBKVEL-ZDUSSCGKSA-N 0 3 350.278 2.367 20 10 FECDHN C[NH+](C)C[C@@](C)(O)CNCc1cc(Cl)cc(Br)c1[O-] ZINC000708124077 673064197 /nfs/dbraw/zinc/06/41/97/673064197.db2.gz BYCLOWORBWSHCJ-ZDUSSCGKSA-N 0 3 351.672 2.210 20 10 FECDHN CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000733301627 673407696 /nfs/dbraw/zinc/40/76/96/673407696.db2.gz VNFMXCZZBOVVNM-OAHLLOKOSA-N 0 3 364.467 2.068 20 10 FECDHN CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000733301627 673407697 /nfs/dbraw/zinc/40/76/97/673407697.db2.gz VNFMXCZZBOVVNM-OAHLLOKOSA-N 0 3 364.467 2.068 20 10 FECDHN CCS(=O)(=O)NCCNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000823729962 675569250 /nfs/dbraw/zinc/56/92/50/675569250.db2.gz PVBZUTMSUHFIMD-UHFFFAOYSA-N 0 3 367.540 2.413 20 10 FECDHN COc1cc(Cl)cc(CN[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000761206702 680714989 /nfs/dbraw/zinc/71/49/89/680714989.db2.gz NTPJFDKCRKNNJB-YGRLFVJLSA-N 0 3 364.833 2.071 20 10 FECDHN C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000764750479 680820201 /nfs/dbraw/zinc/82/02/01/680820201.db2.gz KMASAEJJMKHWLC-ZIAGYGMSSA-N 0 3 372.918 2.262 20 10 FECDHN C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)ccc1[O-] ZINC000842885174 680973549 /nfs/dbraw/zinc/97/35/49/680973549.db2.gz WKHWAXLHMRQBPQ-WCQYABFASA-N 0 3 351.399 2.417 20 10 FECDHN O=C(NC[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1)[C@H]1CCC[NH2+]1 ZINC000843058322 680985080 /nfs/dbraw/zinc/98/50/80/680985080.db2.gz RQAVQZRAFVVKCN-SWLSCSKDSA-N 0 3 369.868 2.265 20 10 FECDHN CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1[O-] ZINC000843377164 681000594 /nfs/dbraw/zinc/00/05/94/681000594.db2.gz QANVTEKGERYFLV-HNNXBMFYSA-N 0 3 367.877 2.068 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCNC2=O)c1[O-] ZINC000848552359 681576342 /nfs/dbraw/zinc/57/63/42/681576342.db2.gz LDJSFVQWVGKXSP-NXEZZACHSA-N 0 3 357.248 2.340 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]CC2(CC(N)=O)CC2)c1[O-] ZINC000848553765 681576885 /nfs/dbraw/zinc/57/68/85/681576885.db2.gz QQBPLDMJFDZNLQ-VIFPVBQESA-N 0 3 357.248 2.470 20 10 FECDHN COCCNS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000783506264 682148235 /nfs/dbraw/zinc/14/82/35/682148235.db2.gz TUTYVMVAJWCFID-CQSZACIVSA-N 0 3 364.467 2.168 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2ccnn2C)c1[O-] ZINC000927131748 683210916 /nfs/dbraw/zinc/21/09/16/683210916.db2.gz QRFNTQJKCJUIPV-RNCFNFMXSA-N 0 3 370.247 2.281 20 10 FECDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000797095692 683222195 /nfs/dbraw/zinc/22/21/95/683222195.db2.gz FMHDUNUZQQKKQY-YRGRVCCFSA-N 0 3 356.463 2.483 20 10 FECDHN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927633589 683279988 /nfs/dbraw/zinc/27/99/88/683279988.db2.gz ODAJRYLYZFLHGT-HNNXBMFYSA-N 0 3 353.850 2.098 20 10 FECDHN C[N@H+](CCCO)C1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862245773 683557924 /nfs/dbraw/zinc/55/79/24/683557924.db2.gz XHOUATIJWKCQJO-UHFFFAOYSA-N 0 3 357.292 2.433 20 10 FECDHN C[N@@H+](CCCO)C1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862245773 683557928 /nfs/dbraw/zinc/55/79/28/683557928.db2.gz XHOUATIJWKCQJO-UHFFFAOYSA-N 0 3 357.292 2.433 20 10 FECDHN CNS(=O)(=O)C[C@@H]1CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000862552308 683600907 /nfs/dbraw/zinc/60/09/07/683600907.db2.gz VVBALRLWGUWDRP-UKINESCASA-N 0 3 351.516 2.027 20 10 FECDHN CO[C@@]1(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCOC1 ZINC000877034065 686315380 /nfs/dbraw/zinc/31/53/80/686315380.db2.gz XGIXADLEZJWRRD-SJLPKXTDSA-N 0 3 354.878 2.405 20 10 FECDHN OC1CCN(c2ccc(CN3CCCN(CC(F)F)CC3)cc2)CC1 ZINC000877529006 686401954 /nfs/dbraw/zinc/40/19/54/686401954.db2.gz PSPWELFURXEHTB-UHFFFAOYSA-N 0 3 353.457 2.421 20 10 FECDHN COc1cc(Cl)cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1[O-] ZINC000877808598 686468701 /nfs/dbraw/zinc/46/87/01/686468701.db2.gz PTXFXRMOSJHVKN-FTNCPSPGSA-N 0 3 359.875 2.500 20 10 FECDHN C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1csnn1 ZINC000895375695 689705292 /nfs/dbraw/zinc/70/52/92/689705292.db2.gz BEGVLAVZLYREDO-WBMJQRKESA-N 0 3 362.503 2.267 20 10 FECDHN CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000896277892 689847764 /nfs/dbraw/zinc/84/77/64/689847764.db2.gz UWOMLSJGAUOGDX-UHFFFAOYSA-N 0 3 352.431 2.213 20 10 FECDHN C[C@@H](CCO)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099120 690303954 /nfs/dbraw/zinc/30/39/54/690303954.db2.gz VQQPQFOFUIAPNU-CRAIPNDOSA-N 0 3 350.507 2.063 20 10 FECDHN COC(C)(C)CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101936 690304468 /nfs/dbraw/zinc/30/44/68/690304468.db2.gz NJTXPDAWBCOJJO-KRWDZBQOSA-N 0 3 350.507 2.422 20 10 FECDHN Cc1cc(C(=O)NCCCN2CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000061523889 541131903 /nfs/dbraw/zinc/13/19/03/541131903.db2.gz FBOHXNCORJZKSG-UHFFFAOYSA-N 0 3 354.498 2.461 20 10 FECDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000085394458 542726477 /nfs/dbraw/zinc/72/64/77/542726477.db2.gz ANAVHUZUPLTVOQ-LPHOPBHVSA-N 0 3 360.502 2.005 20 10 FECDHN CCOc1cccc(CN2CCCN(CC(=O)N(CC)CC)CC2)c1O ZINC000129234266 544099421 /nfs/dbraw/zinc/09/94/21/544099421.db2.gz JBGHLJDJSRJOLY-UHFFFAOYSA-N 0 3 363.502 2.167 20 10 FECDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000131352796 544186896 /nfs/dbraw/zinc/18/68/96/544186896.db2.gz MEUQZOCNFZUCLL-DLBZAZTESA-N 0 3 354.429 2.050 20 10 FECDHN CN(C)CCOc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)ccn1 ZINC000135518490 544350381 /nfs/dbraw/zinc/35/03/81/544350381.db2.gz OWCBONVGPBJPLQ-UHFFFAOYSA-N 0 3 371.485 2.087 20 10 FECDHN COCCCN1CCC(NC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000171203537 546197094 /nfs/dbraw/zinc/19/70/94/546197094.db2.gz GQMQTXCHPIOUAX-UHFFFAOYSA-N 0 3 374.529 2.369 20 10 FECDHN Cc1cccc(CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1O ZINC000179624186 546987460 /nfs/dbraw/zinc/98/74/60/546987460.db2.gz FMWMLNPVJIJNBY-UHFFFAOYSA-N 0 3 370.478 2.088 20 10 FECDHN O=C1COc2ccccc2N1CCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000266128474 550017355 /nfs/dbraw/zinc/01/73/55/550017355.db2.gz CHRYTBNRRWXEHF-UHFFFAOYSA-N 0 3 356.378 2.026 20 10 FECDHN COc1cccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000266633315 550022411 /nfs/dbraw/zinc/02/24/11/550022411.db2.gz AGWUWWVDJFFFBF-KRWDZBQOSA-N 0 3 355.438 2.475 20 10 FECDHN CCC[C@@](C)(N)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000272476011 550451356 /nfs/dbraw/zinc/45/13/56/550451356.db2.gz QXYIAILZJPUYDG-LJQANCHMSA-N 0 3 350.482 2.101 20 10 FECDHN CC(C)N1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000272710802 550466302 /nfs/dbraw/zinc/46/63/02/550466302.db2.gz XTQKXEPNGWPZHC-GQCTYLIASA-N 0 3 373.497 2.128 20 10 FECDHN C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1=CCN(C)CC1 ZINC000272974705 550479157 /nfs/dbraw/zinc/47/91/57/550479157.db2.gz OSDFFBPLYOKSGQ-KRWDZBQOSA-N 0 3 372.513 2.315 20 10 FECDHN Cc1ccc([C@@H](C)NCCS(=O)(=O)NC[C@H]2CCCCO2)c(O)c1C ZINC000273501046 550500710 /nfs/dbraw/zinc/50/07/10/550500710.db2.gz QEHLTPVEPJORQY-HZPDHXFCSA-N 0 3 370.515 2.148 20 10 FECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291761323 552659156 /nfs/dbraw/zinc/65/91/56/552659156.db2.gz VOVCHKXIDQRAKN-HNJNHCNJSA-N 0 3 355.390 2.449 20 10 FECDHN CN(C)c1ccc(CN(C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1F ZINC000295123992 552961047 /nfs/dbraw/zinc/96/10/47/552961047.db2.gz NRUJYRIFSUKXMI-CQSZACIVSA-N 0 3 355.454 2.209 20 10 FECDHN C[C@H](NC[C@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000296610303 553187348 /nfs/dbraw/zinc/18/73/48/553187348.db2.gz WGMXZELKTSSJHV-KBXCAEBGSA-N 0 3 370.490 2.016 20 10 FECDHN Cc1nccc(CN2CCC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2=O)n1 ZINC000369892879 556723073 /nfs/dbraw/zinc/72/30/73/556723073.db2.gz MYLOEXBQXRTGSS-YVEFUNNKSA-N 0 3 358.417 2.472 20 10 FECDHN COc1cc(O)c(CN2CCC(C(=O)Nc3cnccn3)CC2)cc1OC ZINC000371396652 557173323 /nfs/dbraw/zinc/17/33/23/557173323.db2.gz SIFXCIAZFORUQM-UHFFFAOYSA-N 0 3 372.425 2.050 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373254662 557659276 /nfs/dbraw/zinc/65/92/76/557659276.db2.gz FXYMPQJWBMJFFR-ZIAGYGMSSA-N 0 3 355.438 2.429 20 10 FECDHN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000373587387 557724269 /nfs/dbraw/zinc/72/42/69/557724269.db2.gz WUECLYWNKRUJDK-MOPGFXCFSA-N 0 3 362.470 2.066 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c([O-])c1 ZINC000375200689 557991307 /nfs/dbraw/zinc/99/13/07/557991307.db2.gz IOWHBFWRDZTRKP-CQSZACIVSA-N 0 3 360.414 2.006 20 10 FECDHN CCCOc1ccc(C[N@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c([O-])c1 ZINC000375200689 557991308 /nfs/dbraw/zinc/99/13/08/557991308.db2.gz IOWHBFWRDZTRKP-CQSZACIVSA-N 0 3 360.414 2.006 20 10 FECDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375304646 558006502 /nfs/dbraw/zinc/00/65/02/558006502.db2.gz UKCYEVQAZJRSDU-ZLXGRDSLSA-N 0 3 361.461 2.370 20 10 FECDHN O=C(N1CCCC1)N1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000375751713 558076850 /nfs/dbraw/zinc/07/68/50/558076850.db2.gz VTPTXHHMQZJRRS-LJQANCHMSA-N 0 3 372.513 2.293 20 10 FECDHN O=C1CO[C@@H]2CCN(Cc3ccc(OCc4ccccc4)cc3O)C[C@H]2N1 ZINC000377228055 558294051 /nfs/dbraw/zinc/29/40/51/558294051.db2.gz YYVGLCLXIFGVLP-UYAOXDASSA-N 0 3 368.433 2.061 20 10 FECDHN C[C@H]1CN(C(=O)C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)C[C@H](C)O1 ZINC000378498450 558570243 /nfs/dbraw/zinc/57/02/43/558570243.db2.gz SCQBOWCITYTCBF-KBPBESRZSA-N 0 3 350.434 2.379 20 10 FECDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000422386139 559583997 /nfs/dbraw/zinc/58/39/97/559583997.db2.gz SICDTPKNVGZSFZ-MRXNPFEDSA-N 0 3 370.497 2.044 20 10 FECDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000472222254 561021345 /nfs/dbraw/zinc/02/13/45/561021345.db2.gz LGNDVBRMZVUJHZ-INIZCTEOSA-N 0 3 358.486 2.133 20 10 FECDHN CC[C@@H](C)CN(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000111254179 670856267 /nfs/dbraw/zinc/85/62/67/670856267.db2.gz SKPIGTIZJBGCHS-OAHLLOKOSA-N 0 3 351.466 2.256 20 10 FECDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3CSC)CC2)cc1 ZINC000135425520 672133291 /nfs/dbraw/zinc/13/32/91/672133291.db2.gz LVCRIHXPTKVTPM-KRWDZBQOSA-N 0 3 363.527 2.171 20 10 FECDHN CCS(=O)(=O)NCCCN(Cc1ccco1)Cc1ccccc1O ZINC000151676977 672167622 /nfs/dbraw/zinc/16/76/22/672167622.db2.gz CCJUNFFGBHREPB-UHFFFAOYSA-N 0 3 352.456 2.317 20 10 FECDHN CCOc1ccc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c([O-])c1 ZINC000731450477 673330662 /nfs/dbraw/zinc/33/06/62/673330662.db2.gz XUVDNEAAAHLDMJ-UHFFFAOYSA-N 0 3 364.467 2.000 20 10 FECDHN CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc([O-])cs1 ZINC000765223122 680836032 /nfs/dbraw/zinc/83/60/32/680836032.db2.gz UPFZUSKRCKUACI-ZDUSSCGKSA-N 0 3 354.472 2.333 20 10 FECDHN CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc([O-])cs1 ZINC000765223122 680836034 /nfs/dbraw/zinc/83/60/34/680836034.db2.gz UPFZUSKRCKUACI-ZDUSSCGKSA-N 0 3 354.472 2.333 20 10 FECDHN CCS(=O)(=O)CCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000840891440 680849911 /nfs/dbraw/zinc/84/99/11/680849911.db2.gz SXHSKVSKCUBEIH-CQSZACIVSA-N 0 3 358.479 2.138 20 10 FECDHN COc1cc(Br)cc(CN2CC[C@H](C(=O)N(C)C)C2)c1O ZINC000840957526 680856958 /nfs/dbraw/zinc/85/69/58/680856958.db2.gz IZUSYSDWPITOSR-JTQLQIEISA-N 0 3 357.248 2.073 20 10 FECDHN C[C@H](NC[C@H]1CN(C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918946 680859436 /nfs/dbraw/zinc/85/94/36/680859436.db2.gz YOZPGLHAQRXTBU-RDJZCZTQSA-N 0 3 366.937 2.073 20 10 FECDHN C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756450953 680479846 /nfs/dbraw/zinc/47/98/46/680479846.db2.gz WPVKQDATQSNYRL-JQWIXIFHSA-N 0 3 361.255 2.401 20 10 FECDHN CN(C)c1ccc([C@@H]([NH3+])C[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000842785101 680966325 /nfs/dbraw/zinc/96/63/25/680966325.db2.gz OTOMEPABNHMVBH-AWEZNQCLSA-N 0 3 355.410 2.009 20 10 FECDHN COc1c([O-])c(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000774904975 681248571 /nfs/dbraw/zinc/24/85/71/681248571.db2.gz YLIDSOLZXLNIBP-CQSZACIVSA-N 0 3 364.320 2.444 20 10 FECDHN COc1cc(Br)cc([C@@H](C)N[C@H](C)C(=O)NCCF)c1O ZINC000848548917 681575696 /nfs/dbraw/zinc/57/56/96/681575696.db2.gz MCZHKJIETGHDQJ-RKDXNWHRSA-N 0 3 363.227 2.288 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)c1[O-] ZINC000848548917 681575699 /nfs/dbraw/zinc/57/56/99/681575699.db2.gz MCZHKJIETGHDQJ-RKDXNWHRSA-N 0 3 363.227 2.288 20 10 FECDHN O=[S@](CCNCc1ccc(N2CCOCC2)c(F)c1)CC(F)(F)F ZINC000850348999 681888984 /nfs/dbraw/zinc/88/89/84/681888984.db2.gz XJAJDYKJUFCEMP-XMMPIXPASA-N 0 3 368.396 2.063 20 10 FECDHN CN1CCC(NC(=S)NCc2cc(Br)ccc2O)CC1 ZINC000795156523 683024663 /nfs/dbraw/zinc/02/46/63/683024663.db2.gz VNULBXJXFHQKPI-UHFFFAOYSA-N 0 3 358.305 2.213 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H]2CNC(=O)C2)c1[O-] ZINC000926975903 683192683 /nfs/dbraw/zinc/19/26/83/683192683.db2.gz BHFFHSOUICCZDV-UWVGGRQHSA-N 0 3 357.248 2.340 20 10 FECDHN CS(=O)(=O)C[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000927026843 683199091 /nfs/dbraw/zinc/19/90/91/683199091.db2.gz RCPHOYCZRARBDL-AEFFLSMTSA-N 0 3 363.479 2.061 20 10 FECDHN [O-]c1cccc(Br)c1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000862250996 683559247 /nfs/dbraw/zinc/55/92/47/683559247.db2.gz XUPRSAZVVPBEFO-ZDUSSCGKSA-N 0 3 355.276 2.309 20 10 FECDHN O=C1C[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCCN1 ZINC000877033893 686315350 /nfs/dbraw/zinc/31/53/50/686315350.db2.gz QWRFWEPVQFDTHV-HOTGVXAUSA-N 0 3 351.878 2.268 20 10 FECDHN Cc1cccc([O-])c1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000877108982 686326326 /nfs/dbraw/zinc/32/63/26/686326326.db2.gz WSHDRTQYSXZYSI-UHFFFAOYSA-N 0 3 352.378 2.104 20 10 FECDHN OC[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C(F)(F)F ZINC000877693477 686437812 /nfs/dbraw/zinc/43/78/12/686437812.db2.gz HRIFBSZXNHGNIS-WMLDXEAASA-N 0 3 358.404 2.250 20 10 FECDHN COc1cc(N2CCN(CC[C@H](O)C(C)C)CC2)cc(OC)c1OC ZINC000878430887 686583713 /nfs/dbraw/zinc/58/37/13/686583713.db2.gz VWGWCIKXYLTJOI-INIZCTEOSA-N 0 3 352.475 2.241 20 10 FECDHN CN(C)Cc1cnc(CNCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000883283866 687598784 /nfs/dbraw/zinc/59/87/84/687598784.db2.gz WJRBQMJKOCZQTD-UHFFFAOYSA-N 0 3 359.543 2.246 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)NCCc2cscn2)N(C)C)cc1 ZINC000893748337 689397913 /nfs/dbraw/zinc/39/79/13/689397913.db2.gz BXULSLXKVMHKKE-KRWDZBQOSA-N 0 3 361.515 2.354 20 10 FECDHN COC(=O)[C@H]1[C@@H](CNCc2ccc(N3CCSCC3)cc2)C1(F)F ZINC000894191963 689483622 /nfs/dbraw/zinc/48/36/22/689483622.db2.gz SYKIMPYQHOJNCO-HUUCEWRRSA-N 0 3 356.438 2.384 20 10 FECDHN COC(=O)[C@@H]1[C@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2)C1(F)F ZINC000894208781 689486907 /nfs/dbraw/zinc/48/69/07/689486907.db2.gz LNSJKAUMTBNFKD-KCXAZCMYSA-N 0 3 354.397 2.228 20 10 FECDHN Cc1nnsc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895022415 689642314 /nfs/dbraw/zinc/64/23/14/689642314.db2.gz LUDLGNINCQWFSC-OAHLLOKOSA-N 0 3 362.503 2.015 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@@H]3CSC[C@@H]3C2)N(C)C)cc1 ZINC000899099361 690303927 /nfs/dbraw/zinc/30/39/27/690303927.db2.gz ZQBZLZKTUQYDID-JZXOWHBKSA-N 0 3 362.543 2.360 20 10 FECDHN CCC[C@H](C)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051686466 540441307 /nfs/dbraw/zinc/44/13/07/540441307.db2.gz PDJWWXXYCIXYGS-HNNXBMFYSA-N 0 3 351.466 2.399 20 10 FECDHN COc1ccc(-n2c(C)cc(C(=O)NCC3(O)CCN(C)CC3)c2C)cc1 ZINC000080882323 542611579 /nfs/dbraw/zinc/61/15/79/542611579.db2.gz FFDQRZISACLFHV-UHFFFAOYSA-N 0 3 371.481 2.289 20 10 FECDHN CCOc1cccc(CNCCN(C)S(=O)(=O)c2cccs2)c1O ZINC000158270780 545842401 /nfs/dbraw/zinc/84/24/01/545842401.db2.gz PFMVTSRFXWPDBM-UHFFFAOYSA-N 0 3 370.496 2.263 20 10 FECDHN CN(C)CCN1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000173744269 546286270 /nfs/dbraw/zinc/28/62/70/546286270.db2.gz XHNWUQHPYPSEHL-UHFFFAOYSA-N 0 3 374.529 2.096 20 10 FECDHN C[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000177071094 546539600 /nfs/dbraw/zinc/53/96/00/546539600.db2.gz XZFZZLIGSSMNID-MPAJKEDASA-N 0 3 355.482 2.278 20 10 FECDHN CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(O)c2[O-])[C@H](C)C1 ZINC000179502154 546967377 /nfs/dbraw/zinc/96/73/77/546967377.db2.gz IAKXLEZDMKQBFD-ZBFHGGJFSA-N 0 3 350.459 2.273 20 10 FECDHN CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C)c(O)c2[O-])[C@H](C)C1 ZINC000179502154 546967378 /nfs/dbraw/zinc/96/73/78/546967378.db2.gz IAKXLEZDMKQBFD-ZBFHGGJFSA-N 0 3 350.459 2.273 20 10 FECDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185391606 547978552 /nfs/dbraw/zinc/97/85/52/547978552.db2.gz IPKQGWXNBDDRKF-CHWSQXEVSA-N 0 3 356.308 2.441 20 10 FECDHN Cc1ccc(O)c([C@@H](C)NC[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000186158633 548092655 /nfs/dbraw/zinc/09/26/55/548092655.db2.gz ZULCQQFUVNGTKC-CHWSQXEVSA-N 0 3 355.481 2.248 20 10 FECDHN CSCC[C@H](N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237330323 548818401 /nfs/dbraw/zinc/81/84/01/548818401.db2.gz TZSDRMWPNFNORZ-WFASDCNBSA-N 0 3 373.469 2.453 20 10 FECDHN CCN(CC)c1ccc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000269440366 550196266 /nfs/dbraw/zinc/19/62/66/550196266.db2.gz FKTVONJEEBGIBL-KRWDZBQOSA-N 0 3 353.532 2.294 20 10 FECDHN CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000269865623 550231968 /nfs/dbraw/zinc/23/19/68/550231968.db2.gz KMLRCCCPMDBBMI-OAHLLOKOSA-N 0 3 360.479 2.430 20 10 FECDHN CN1CCC(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000273300126 550493839 /nfs/dbraw/zinc/49/38/39/550493839.db2.gz ZOUUABYYEKFJCT-UHFFFAOYSA-N 0 3 359.514 2.243 20 10 FECDHN CCOC(=O)c1nnc(C2CC[NH+](Cc3cccc(OCC)c3O)CC2)[n-]1 ZINC000278791775 550822520 /nfs/dbraw/zinc/82/25/20/550822520.db2.gz WQCXGBNOYRWWOB-UHFFFAOYSA-N 0 3 374.441 2.465 20 10 FECDHN O=C1COc2ccc(CNCc3ccc(N4CCOCC4)cc3)cc2N1 ZINC000293792796 552856934 /nfs/dbraw/zinc/85/69/34/552856934.db2.gz BKYPYPSQZIQLBR-UHFFFAOYSA-N 0 3 353.422 2.144 20 10 FECDHN CN(C)CCn1nccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000297459997 553295260 /nfs/dbraw/zinc/29/52/60/553295260.db2.gz QUAMISKQEYWLAX-UHFFFAOYSA-N 0 3 357.458 2.351 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1[O-] ZINC000361392591 554920940 /nfs/dbraw/zinc/92/09/40/554920940.db2.gz WWSRHSDOVGAFCZ-WQAKAFBOSA-N 0 3 369.259 2.262 20 10 FECDHN CCOCc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)ccc1OC ZINC000364656818 555364754 /nfs/dbraw/zinc/36/47/54/555364754.db2.gz HCPWQKRQJHRNSZ-XLIONFOSSA-N 0 3 372.469 2.075 20 10 FECDHN CN(C)c1ccc(CN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000365146744 555494972 /nfs/dbraw/zinc/49/49/72/555494972.db2.gz OIQCGUVYWVDTGY-WOJBJXKFSA-N 0 3 372.513 2.290 20 10 FECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1[O-] ZINC000368590344 556355711 /nfs/dbraw/zinc/35/57/11/556355711.db2.gz KMVOTKWGCUMTMU-SFHVURJKSA-N 0 3 354.878 2.325 20 10 FECDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)c1 ZINC000371224110 557111643 /nfs/dbraw/zinc/11/16/43/557111643.db2.gz VQZWKRWLBDWARO-OAHLLOKOSA-N 0 3 352.442 2.145 20 10 FECDHN CCN1CCc2c(cccc2NC(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC000372043103 557364941 /nfs/dbraw/zinc/36/49/41/557364941.db2.gz TWNULSLLHQQVQS-UHFFFAOYSA-N 0 3 367.449 2.367 20 10 FECDHN CCOc1cccc(CN2CCC(C(=O)Nc3nncs3)CC2)c1O ZINC000377709678 558402476 /nfs/dbraw/zinc/40/24/76/558402476.db2.gz ZHDFBRDAIPIOTL-UHFFFAOYSA-N 0 3 362.455 2.493 20 10 FECDHN CCOc1cccc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1[O-] ZINC000377709678 558402478 /nfs/dbraw/zinc/40/24/78/558402478.db2.gz ZHDFBRDAIPIOTL-UHFFFAOYSA-N 0 3 362.455 2.493 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2ncccn2)c1 ZINC000377714416 558404003 /nfs/dbraw/zinc/40/40/03/558404003.db2.gz AKXHODAYWFAUAZ-ILXRZTDVSA-N 0 3 360.433 2.454 20 10 FECDHN COC(=O)c1ccnc(N2CCCN(Cc3cccc(OC)c3O)CC2)c1 ZINC000378352614 558536537 /nfs/dbraw/zinc/53/65/37/558536537.db2.gz YPMZDUJRIGJLRT-UHFFFAOYSA-N 0 3 371.437 2.295 20 10 FECDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000378442626 558558594 /nfs/dbraw/zinc/55/85/94/558558594.db2.gz KSGQCWSEUZLRFO-GJZGRUSLSA-N 0 3 362.470 2.249 20 10 FECDHN COc1ccc(O)c(CN2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000378442626 558558596 /nfs/dbraw/zinc/55/85/96/558558596.db2.gz KSGQCWSEUZLRFO-GJZGRUSLSA-N 0 3 362.470 2.249 20 10 FECDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(N(C)C)C2)C1 ZINC000444312464 560109214 /nfs/dbraw/zinc/10/92/14/560109214.db2.gz KZUDQPDFJGSTPA-UHFFFAOYSA-N 0 3 354.498 2.180 20 10 FECDHN COc1cc(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(O)cc1C ZINC000808227137 674447656 /nfs/dbraw/zinc/44/76/56/674447656.db2.gz UHOVGUKBOACHJJ-CQSZACIVSA-N 0 3 368.499 2.003 20 10 FECDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1-c1nnn[n-]1 ZINC000821610889 607113025 /nfs/dbraw/zinc/11/30/25/607113025.db2.gz JFLANGPAZSNCIM-UHFFFAOYSA-N 0 3 364.453 2.335 20 10 FECDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1-c1nnn[n-]1 ZINC000821610889 607113026 /nfs/dbraw/zinc/11/30/26/607113026.db2.gz JFLANGPAZSNCIM-UHFFFAOYSA-N 0 3 364.453 2.335 20 10 FECDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1-c1nn[n-]n1 ZINC000821610889 607113027 /nfs/dbraw/zinc/11/30/27/607113027.db2.gz JFLANGPAZSNCIM-UHFFFAOYSA-N 0 3 364.453 2.335 20 10 FECDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1-c1nn[n-]n1 ZINC000821610889 607113028 /nfs/dbraw/zinc/11/30/28/607113028.db2.gz JFLANGPAZSNCIM-UHFFFAOYSA-N 0 3 364.453 2.335 20 10 FECDHN CN(C)c1ccc(CNCCNS(=O)(=O)c2cccs2)cc1F ZINC000122281184 671964912 /nfs/dbraw/zinc/96/49/12/671964912.db2.gz WPFBKEWXRADZGL-UHFFFAOYSA-N 0 3 357.476 2.021 20 10 FECDHN CN(C)c1ccc(CNCCN(C)S(=O)(=O)c2cccs2)cc1F ZINC000158358326 672268700 /nfs/dbraw/zinc/26/87/00/672268700.db2.gz DJMWDHBWYIQSHP-UHFFFAOYSA-N 0 3 371.503 2.364 20 10 FECDHN CCC[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)CCN1CCOC ZINC000160526181 672291837 /nfs/dbraw/zinc/29/18/37/672291837.db2.gz SEUCIHUAONJMCA-MRXNPFEDSA-N 0 3 352.475 2.342 20 10 FECDHN C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825536800 675658113 /nfs/dbraw/zinc/65/81/13/675658113.db2.gz NJDKJJUYFCQAME-CYBMUJFWSA-N 0 3 356.308 2.270 20 10 FECDHN CNS(=O)(=O)C[C@H]1CCCN1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828357335 675814995 /nfs/dbraw/zinc/81/49/95/675814995.db2.gz DNDUPOSKCROWND-GOSISDBHSA-N 0 3 365.543 2.499 20 10 FECDHN C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000764750477 680820216 /nfs/dbraw/zinc/82/02/16/680820216.db2.gz KMASAEJJMKHWLC-UONOGXRCSA-N 0 3 372.918 2.262 20 10 FECDHN Cc1cc(N(C)C)ccc1CNC[C@](O)(c1nccn1C)C(F)(F)F ZINC000840936946 680854979 /nfs/dbraw/zinc/85/49/79/680854979.db2.gz OEHVDZVLQCUEKA-INIZCTEOSA-N 0 3 356.392 2.334 20 10 FECDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000765794523 680855586 /nfs/dbraw/zinc/85/55/86/680855586.db2.gz CYSNMKKQWLNHPI-VXGBXAGGSA-N 0 3 357.248 2.168 20 10 FECDHN C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756450952 680479853 /nfs/dbraw/zinc/47/98/53/680479853.db2.gz WPVKQDATQSNYRL-CMPLNLGQSA-N 0 3 361.255 2.401 20 10 FECDHN Oc1ccc(Br)cc1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000769327004 680978491 /nfs/dbraw/zinc/97/84/91/680978491.db2.gz JMXYCFXCKNXKGG-HOCLYGCPSA-N 0 3 355.276 2.186 20 10 FECDHN O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000775396391 681303939 /nfs/dbraw/zinc/30/39/39/681303939.db2.gz SXHBYKNCJGIILJ-CVEARBPZSA-N 0 3 372.918 2.177 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)c1[O-] ZINC000848525271 681571287 /nfs/dbraw/zinc/57/12/87/681571287.db2.gz LCASKVFTUQNQHX-VHSXEESVSA-N 0 3 355.236 2.494 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCCC2=O)c1[O-] ZINC000848556129 681577594 /nfs/dbraw/zinc/57/75/94/681577594.db2.gz NOFRVCFGMHEEBD-JTQLQIEISA-N 0 3 357.248 2.436 20 10 FECDHN C[C@@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)c1ccc(N(C)C)cc1 ZINC000914392203 685506415 /nfs/dbraw/zinc/50/64/15/685506415.db2.gz VRIJVBGFFJJPOK-QAPCUYQASA-N 0 3 351.516 2.219 20 10 FECDHN C[C@H](NC[C@@H](O)[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000858468010 682971135 /nfs/dbraw/zinc/97/11/35/682971135.db2.gz BHUKFMPOLVUTAU-MORSLUCNSA-N 0 3 354.878 2.367 20 10 FECDHN CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000795656285 683077817 /nfs/dbraw/zinc/07/78/17/683077817.db2.gz ILDFTAUQWAYQBP-QGZVFWFLSA-N 0 3 352.500 2.127 20 10 FECDHN CCOCc1cc(CNC[C@H]2CCCCN2S(C)(=O)=O)ccc1OC ZINC000796513983 683167255 /nfs/dbraw/zinc/16/72/55/683167255.db2.gz SDCNVHXVIRKQQZ-QGZVFWFLSA-N 0 3 370.515 2.135 20 10 FECDHN C[C@H](NC[C@H](O)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000927135657 683211398 /nfs/dbraw/zinc/21/13/98/683211398.db2.gz ZWTSYJRITOAZPF-UGSOOPFHSA-N 0 3 364.877 2.294 20 10 FECDHN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCN1C1CCOCC1 ZINC000927633590 683279823 /nfs/dbraw/zinc/27/98/23/683279823.db2.gz ODAJRYLYZFLHGT-OAHLLOKOSA-N 0 3 353.850 2.098 20 10 FECDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1[O-] ZINC000862481197 683594731 /nfs/dbraw/zinc/59/47/31/683594731.db2.gz CKTRFFSCLUXJSR-CQSZACIVSA-N 0 3 358.833 2.160 20 10 FECDHN Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649427 686879804 /nfs/dbraw/zinc/87/98/04/686879804.db2.gz SNBITEJMOCLJOO-GFCCVEGCSA-N 0 3 351.472 2.101 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CSCCS2)N(C)C)cc1 ZINC000891252662 689040456 /nfs/dbraw/zinc/04/04/56/689040456.db2.gz LXNSQMTYNRNWGX-HZPDHXFCSA-N 0 3 353.557 2.320 20 10 FECDHN CNS(=O)(=O)c1cccc([C@H](C)NCc2cc(C)cc(OC)c2O)c1 ZINC000894222058 689489006 /nfs/dbraw/zinc/48/90/06/689489006.db2.gz YFKOQWXTYAPVHR-ZDUSSCGKSA-N 0 3 364.467 2.468 20 10 FECDHN COc1cc(C)cc(CNC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000895076942 689655100 /nfs/dbraw/zinc/65/51/00/689655100.db2.gz WVONEJVYKRIJMK-CQSZACIVSA-N 0 3 363.435 2.034 20 10 FECDHN COc1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c1O ZINC000897647900 690056218 /nfs/dbraw/zinc/05/62/18/690056218.db2.gz MPLOTHYTPZGPIV-UKRRQHHQSA-N 0 3 352.431 2.125 20 10 FECDHN C[C@@H](CCCO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098603 690303294 /nfs/dbraw/zinc/30/32/94/690303294.db2.gz PTKXTMVHYMBUOB-MAUKXSAKSA-N 0 3 350.507 2.063 20 10 FECDHN C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000359958534 210201047 /nfs/dbraw/zinc/20/10/47/210201047.db2.gz KGTFPYFJGZQRQS-FXAWDEMLSA-N 0 3 373.541 2.328 20 10 FECDHN Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000328631514 132306361 /nfs/dbraw/zinc/30/63/61/132306361.db2.gz KNKBYXLRSFCGFI-AZUAARDMSA-N 0 3 374.460 2.406 20 10 FECDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000328631924 132306455 /nfs/dbraw/zinc/30/64/55/132306455.db2.gz KYOOWBRMRJQVME-HKUYNNGSSA-N 0 3 374.460 2.499 20 10 FECDHN Cc1ccc([O-])c(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000091069753 542793306 /nfs/dbraw/zinc/79/33/06/542793306.db2.gz UEODGPHEIUTUMA-UHFFFAOYSA-N 0 3 350.440 2.241 20 10 FECDHN CN(C)c1ccc(CN2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1F ZINC000127114003 543973199 /nfs/dbraw/zinc/97/31/99/543973199.db2.gz CPZUELLBEXAKEB-UHFFFAOYSA-N 0 3 373.476 2.267 20 10 FECDHN CC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N(C)C ZINC000126442461 543935810 /nfs/dbraw/zinc/93/58/10/543935810.db2.gz BIBBTYKKXQFVPE-MRXNPFEDSA-N 0 3 373.419 2.498 20 10 FECDHN CN(C)CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000133590814 544275716 /nfs/dbraw/zinc/27/57/16/544275716.db2.gz HZTLYVPVOCRTFW-UHFFFAOYSA-N 0 3 356.417 2.118 20 10 FECDHN CCCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c([O-])c1 ZINC000151266678 544522756 /nfs/dbraw/zinc/52/27/56/544522756.db2.gz MCRDWUCBWYJIRB-UHFFFAOYSA-N 0 3 368.499 2.227 20 10 FECDHN COc1cccc(CNC(=O)CCN2CCN(c3ccccc3)CC2)c1O ZINC000155406757 545522545 /nfs/dbraw/zinc/52/25/45/545522545.db2.gz HJJHLLSBIXUANI-UHFFFAOYSA-N 0 3 369.465 2.229 20 10 FECDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000160557997 546050668 /nfs/dbraw/zinc/05/06/68/546050668.db2.gz HRODTCOHRUMOLX-CZUORRHYSA-N 0 3 359.449 2.228 20 10 FECDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000160558135 546051066 /nfs/dbraw/zinc/05/10/66/546051066.db2.gz HRODTCOHRUMOLX-CJNGLKHVSA-N 0 3 359.449 2.228 20 10 FECDHN COc1ccc(N2CCN(CCCN[C@H](C)c3cnn(C)c3)CC2)cc1 ZINC000162812366 546140973 /nfs/dbraw/zinc/14/09/73/546140973.db2.gz RDJAYBVFFUHPPW-QGZVFWFLSA-N 0 3 357.502 2.292 20 10 FECDHN COc1ccc(O)c([C@@H](C)NCc2cccnc2N2CCN(C)CC2)c1 ZINC000185165863 547944624 /nfs/dbraw/zinc/94/46/24/547944624.db2.gz ZYMMFYPCUPUWCF-OAHLLOKOSA-N 0 3 356.470 2.398 20 10 FECDHN Cc1cccc(N2CCN(CCC(=O)NCCc3ccc(N)cc3)CC2)c1 ZINC000237719103 548846746 /nfs/dbraw/zinc/84/67/46/548846746.db2.gz RKQLCVFGFGFFOK-UHFFFAOYSA-N 0 3 366.509 2.448 20 10 FECDHN COCCCNC(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271122191 550342231 /nfs/dbraw/zinc/34/22/31/550342231.db2.gz HXEMQRARKQWIBD-UHFFFAOYSA-N 0 3 351.466 2.256 20 10 FECDHN CN(C)CCOc1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000272469295 550450984 /nfs/dbraw/zinc/45/09/84/550450984.db2.gz PLDOHXIWHFADBY-UXBLZVDNSA-N 0 3 370.449 2.410 20 10 FECDHN CN1CCC(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000273197425 550489493 /nfs/dbraw/zinc/48/94/93/550489493.db2.gz JDBYHAFGXDEVGG-UHFFFAOYSA-N 0 3 363.477 2.135 20 10 FECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000273456522 550499072 /nfs/dbraw/zinc/49/90/72/550499072.db2.gz HCENDUCCQMLMSZ-BOFPYLFWSA-N 0 3 362.470 2.207 20 10 FECDHN COc1cc(Cl)cc(C[N@H+](C)C[C@H](O)COCCOC(C)C)c1[O-] ZINC000273761549 550510702 /nfs/dbraw/zinc/51/07/02/550510702.db2.gz OZRDSRZJMSMXIP-HNNXBMFYSA-N 0 3 361.866 2.289 20 10 FECDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c1[O-] ZINC000273761549 550510704 /nfs/dbraw/zinc/51/07/04/550510704.db2.gz OZRDSRZJMSMXIP-HNNXBMFYSA-N 0 3 361.866 2.289 20 10 FECDHN COc1cccc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1[O-] ZINC000282972790 551291637 /nfs/dbraw/zinc/29/16/37/551291637.db2.gz LMMDAWANPPPHJZ-INIZCTEOSA-N 0 3 356.422 2.170 20 10 FECDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000283874086 551441880 /nfs/dbraw/zinc/44/18/80/551441880.db2.gz HPMBSEDGJSCPIY-UHFFFAOYSA-N 0 3 373.497 2.264 20 10 FECDHN COC(=O)c1cn(CCN[C@H](C)c2ccc(N3CCCCC3)cc2)nn1 ZINC000284235013 551506781 /nfs/dbraw/zinc/50/67/81/551506781.db2.gz DSDVJEPSUPLMSN-OAHLLOKOSA-N 0 3 357.458 2.406 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H]1CCC[C@H]1SCC)cc2=O ZINC000285591617 551779780 /nfs/dbraw/zinc/77/97/80/551779780.db2.gz BLTOONKXAJASHX-UONOGXRCSA-N 0 3 364.471 2.375 20 10 FECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000290368046 552468063 /nfs/dbraw/zinc/46/80/63/552468063.db2.gz HFTKFJUUCVTXDN-YLJYHZDGSA-N 0 3 356.466 2.373 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H]1C[C@@H](OCC)C13CCC3)cc2=O ZINC000295846810 553067442 /nfs/dbraw/zinc/06/74/42/553067442.db2.gz DFWZOCNVLSEVLJ-HUUCEWRRSA-N 0 3 374.441 2.049 20 10 FECDHN C[C@@H](NC[C@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000296417504 553156765 /nfs/dbraw/zinc/15/67/65/553156765.db2.gz LEIROULWIMUALB-VQIMIIECSA-N 0 3 366.527 2.267 20 10 FECDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1 ZINC000363892872 555208242 /nfs/dbraw/zinc/20/82/42/555208242.db2.gz DFERIYDFOMGFGZ-ACJLOTCBSA-N 0 3 370.453 2.341 20 10 FECDHN COc1ccnc(NC2CCN(Cc3cc(OC)c(OC)cc3O)CC2)n1 ZINC000364390170 555304565 /nfs/dbraw/zinc/30/45/65/555304565.db2.gz YVJIGKQFDYNDTG-UHFFFAOYSA-N 0 3 374.441 2.285 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)c1 ZINC000377721156 558405316 /nfs/dbraw/zinc/40/53/16/558405316.db2.gz SQBQKKSSZKFWQS-DRZSPHRISA-N 0 3 350.394 2.360 20 10 FECDHN Cc1cc(Cl)cc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1[O-] ZINC000529645983 562380078 /nfs/dbraw/zinc/38/00/78/562380078.db2.gz VAOYARIRDNQDTB-SFHVURJKSA-N 0 3 354.878 2.059 20 10 FECDHN NS(=O)(=O)c1ccc2c(c1)[C@H](NCc1ccc3c(c1)CCO3)CCC2 ZINC000810214892 674537278 /nfs/dbraw/zinc/53/72/78/674537278.db2.gz KYWXHNFAWKTDPA-GOSISDBHSA-N 0 3 358.463 2.436 20 10 FECDHN CCN(C)c1ccc(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000815117591 674920838 /nfs/dbraw/zinc/92/08/38/674920838.db2.gz HSJJHLHXFMISMV-KRWDZBQOSA-N 0 3 365.543 2.437 20 10 FECDHN CCc1cc(CN2CC[C@H](NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000116869939 670909069 /nfs/dbraw/zinc/90/90/69/670909069.db2.gz MVNPIMQPGSBFHI-HNNXBMFYSA-N 0 3 354.516 2.376 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCCN(CCCO)C2)c1[O-] ZINC000824584024 675612064 /nfs/dbraw/zinc/61/20/64/675612064.db2.gz VEZFSAVQFYKZQE-CQSZACIVSA-N 0 3 373.291 2.100 20 10 FECDHN CCNS(=O)(=O)c1cccc(CNCc2cccc(OCC)c2O)c1 ZINC000839149783 680741941 /nfs/dbraw/zinc/74/19/41/680741941.db2.gz WBBDJWGCTPSZKU-UHFFFAOYSA-N 0 3 364.467 2.379 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@H](SC)C1)cc2=O ZINC000749465614 680052485 /nfs/dbraw/zinc/05/24/85/680052485.db2.gz FVRZREVFLZIVQD-ZDUSSCGKSA-N 0 3 364.471 2.329 20 10 FECDHN C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756605711 680488461 /nfs/dbraw/zinc/48/84/61/680488461.db2.gz UPSCACRAMTXAHH-JTQLQIEISA-N 0 3 361.255 2.401 20 10 FECDHN C[C@](O)(C1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1)C(F)(F)F ZINC000767513903 680914737 /nfs/dbraw/zinc/91/47/37/680914737.db2.gz MQYSZFHQLFYIMM-ZBFHGGJFSA-N 0 3 361.360 2.343 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)c1[O-] ZINC000848555160 681577449 /nfs/dbraw/zinc/57/74/49/681577449.db2.gz MEPLSLRKKSKJMT-BMIGLBTASA-N 0 3 360.248 2.355 20 10 FECDHN COc1cc(N2CCN(CC[C@H]3CCOC3)CC2)cc(OC)c1OC ZINC000783674611 682166466 /nfs/dbraw/zinc/16/64/66/682166466.db2.gz YKEXFXDDIIIVIA-HNNXBMFYSA-N 0 3 350.459 2.261 20 10 FECDHN COCCN1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000784547103 682236631 /nfs/dbraw/zinc/23/66/31/682236631.db2.gz ZUUDRENVEOEFLU-MSOLQXFVSA-N 0 3 367.921 2.320 20 10 FECDHN CC[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000794803562 682997232 /nfs/dbraw/zinc/99/72/32/682997232.db2.gz ALCQEAFMPMYUIV-QGZVFWFLSA-N 0 3 354.516 2.250 20 10 FECDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCC(F)(F)F ZINC000920866998 683375071 /nfs/dbraw/zinc/37/50/71/683375071.db2.gz LLOMEPNHEWTDAH-CHWSQXEVSA-N 0 3 359.392 2.241 20 10 FECDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCC(F)(F)F ZINC000920867005 683375234 /nfs/dbraw/zinc/37/52/34/683375234.db2.gz LLOMEPNHEWTDAH-QWHCGFSZSA-N 0 3 359.392 2.241 20 10 FECDHN CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000863340266 683708647 /nfs/dbraw/zinc/70/86/47/683708647.db2.gz JLWDYSLUWDYGNT-ZDUSSCGKSA-N 0 3 370.515 2.157 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CC[C@H]2CC(=O)N(C)C2)c1[O-] ZINC000922488911 683733579 /nfs/dbraw/zinc/73/35/79/683733579.db2.gz MISCSRVJGMVJNP-JTQLQIEISA-N 0 3 357.248 2.121 20 10 FECDHN O[C@@H]([C@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877571648 686412251 /nfs/dbraw/zinc/41/22/51/686412251.db2.gz GVQRKFIJBIKUAV-YOEHRIQHSA-N 0 3 358.404 2.393 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)C2(Br)CC2)N(C)C)cc1 ZINC000891250262 689040170 /nfs/dbraw/zinc/04/01/70/689040170.db2.gz WAHIKWYZMJGLHX-AWEZNQCLSA-N 0 3 354.292 2.399 20 10 FECDHN COc1cc(Cl)cc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c1[O-] ZINC000895345165 689700053 /nfs/dbraw/zinc/70/00/53/689700053.db2.gz YAAKEZHCHGXFTK-AWEZNQCLSA-N 0 3 353.850 2.434 20 10 FECDHN NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000895552443 689734370 /nfs/dbraw/zinc/73/43/70/689734370.db2.gz WUDYTEXPUACLDU-UHFFFAOYSA-N 0 3 351.878 2.351 20 10 FECDHN OC[C@]1(C(F)(F)F)CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895837953 689778536 /nfs/dbraw/zinc/77/85/36/689778536.db2.gz RZTAGJDTCRZLQP-KRWDZBQOSA-N 0 3 358.404 2.394 20 10 FECDHN C[C@H](CCCO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098604 690303272 /nfs/dbraw/zinc/30/32/72/690303272.db2.gz PTKXTMVHYMBUOB-QAPCUYQASA-N 0 3 350.507 2.063 20 10 FECDHN CC[C@@H](O)CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101870 690304471 /nfs/dbraw/zinc/30/44/71/690304471.db2.gz MUYBNLVULUABLI-QZTJIDSGSA-N 0 3 350.507 2.206 20 10 FECDHN Cc1cc(NC(=O)C2CCN(Cc3cc4c(cc3O)OCO4)CC2)no1 ZINC000028749211 539836551 /nfs/dbraw/zinc/83/65/51/539836551.db2.gz LQGWCZLGKFBCSP-UHFFFAOYSA-N 0 3 359.382 2.268 20 10 FECDHN [O-]c1ccc(Br)cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000119507141 543668566 /nfs/dbraw/zinc/66/85/66/543668566.db2.gz ZTKJWOKBCHRWOV-UHFFFAOYSA-N 0 3 368.319 2.368 20 10 FECDHN Cc1ccc(O)c(CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 ZINC000121826680 543699811 /nfs/dbraw/zinc/69/98/11/543699811.db2.gz FUQNSHOEEBCXJB-UHFFFAOYSA-N 0 3 370.478 2.088 20 10 FECDHN CC[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N(C)C ZINC000126442248 543935990 /nfs/dbraw/zinc/93/59/90/543935990.db2.gz BIBBTYKKXQFVPE-INIZCTEOSA-N 0 3 373.419 2.498 20 10 FECDHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000182503789 547504491 /nfs/dbraw/zinc/50/44/91/547504491.db2.gz NRJXUBWXNKUUIT-AEFFLSMTSA-N 0 3 370.490 2.108 20 10 FECDHN C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185391555 547978454 /nfs/dbraw/zinc/97/84/54/547978454.db2.gz IPKQGWXNBDDRKF-STQMWFEESA-N 0 3 356.308 2.441 20 10 FECDHN COCCCN(C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000266798611 550023778 /nfs/dbraw/zinc/02/37/78/550023778.db2.gz NOJXPPOUYIRQQE-UHFFFAOYSA-N 0 3 362.518 2.395 20 10 FECDHN C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cc2c(cc1[O-])CCCC2 ZINC000280888262 551042888 /nfs/dbraw/zinc/04/28/88/551042888.db2.gz DWQCJJVGXAKXFW-UONOGXRCSA-N 0 3 368.481 2.480 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1 ZINC000284845425 551649001 /nfs/dbraw/zinc/64/90/01/551649001.db2.gz OQFYDGKAKGRNQL-IOHHAYIISA-N 0 3 358.442 2.147 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H]1CCC[C@@H]1SCC)cc2=O ZINC000285591603 551779770 /nfs/dbraw/zinc/77/97/70/551779770.db2.gz BLTOONKXAJASHX-KBPBESRZSA-N 0 3 364.471 2.375 20 10 FECDHN CO[C@H]1C[C@@H](CN(C)C(=O)NCc2c(C)c3ccccc3n2C)N(C)C1 ZINC000502640016 561622705 /nfs/dbraw/zinc/62/27/05/561622705.db2.gz UTSSVLRCDIKIPQ-HOTGVXAUSA-N 0 3 358.486 2.347 20 10 FECDHN Cc1cccc(N2CCN(CCC(=O)NCc3ccc(N)cc3)CC2)c1 ZINC000297118173 553255387 /nfs/dbraw/zinc/25/53/87/553255387.db2.gz GGWJSUPMTQOEQL-UHFFFAOYSA-N 0 3 352.482 2.406 20 10 FECDHN CCN(CC)c1ccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000369026885 556480508 /nfs/dbraw/zinc/48/05/08/556480508.db2.gz JRPIOGGJTGVAJB-MOPGFXCFSA-N 0 3 360.502 2.195 20 10 FECDHN CSCC[C@H](N)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370782174 556966803 /nfs/dbraw/zinc/96/68/03/556966803.db2.gz RLKUTLQFEQTHSH-HNNXBMFYSA-N 0 3 373.469 2.453 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1[O-] ZINC000371300940 557137202 /nfs/dbraw/zinc/13/72/02/557137202.db2.gz RLMJMMRYYLGHBM-BPQIPLTHSA-N 0 3 350.434 2.417 20 10 FECDHN CCOc1ccc([O-])c(C[NH+]2C[C@@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)c1 ZINC000372428945 557468442 /nfs/dbraw/zinc/46/84/42/557468442.db2.gz SNHOGUXQYPUGGG-HZPDHXFCSA-N 0 3 372.469 2.300 20 10 FECDHN O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000375751520 558076910 /nfs/dbraw/zinc/07/69/10/558076910.db2.gz SWSPENUYMIMIMN-CYBMUJFWSA-N 0 3 352.481 2.254 20 10 FECDHN COCCN(C)CCCNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000376892129 558235064 /nfs/dbraw/zinc/23/50/64/558235064.db2.gz HXFLCNAFRDJVRT-UHFFFAOYSA-N 0 3 360.502 2.130 20 10 FECDHN CCc1nc(CN2C[C@H]3CN(Cc4ccc(N(C)C)c(F)c4)C[C@H]3C2)no1 ZINC000378347096 558535061 /nfs/dbraw/zinc/53/50/61/558535061.db2.gz BZBXAZMOZKXVTE-IYBDPMFKSA-N 0 3 373.476 2.401 20 10 FECDHN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000422386138 559584004 /nfs/dbraw/zinc/58/40/04/559584004.db2.gz SICDTPKNVGZSFZ-INIZCTEOSA-N 0 3 370.497 2.044 20 10 FECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1[O-] ZINC000808694917 674468938 /nfs/dbraw/zinc/46/89/38/674468938.db2.gz CHJNURWWWOANFT-DOTOQJQBSA-N 0 3 367.921 2.411 20 10 FECDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)NCc2ccccc2)c1 ZINC000185161292 672521571 /nfs/dbraw/zinc/52/15/71/672521571.db2.gz YQAVSKNMCLTZNQ-AWEZNQCLSA-N 0 3 364.467 2.171 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)c1[O-] ZINC000824708952 675617411 /nfs/dbraw/zinc/61/74/11/675617411.db2.gz LOOGCLAVQGDDLO-IINYFYTJSA-N 0 3 360.248 2.304 20 10 FECDHN CCN(CC)c1ccc(CN(CCN(C)C)CC(=O)N(C)C)cc1F ZINC000827157998 675734663 /nfs/dbraw/zinc/73/46/63/675734663.db2.gz LOHLOBIOTVOFLQ-UHFFFAOYSA-N 0 3 352.498 2.124 20 10 FECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](N)CC(F)F)cc2F)C[C@H](C)O1 ZINC000827365414 675751133 /nfs/dbraw/zinc/75/11/33/675751133.db2.gz RQMDJQUIKJUXSQ-WDMOLILDSA-N 0 3 359.392 2.038 20 10 FECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@H](N)CC(F)F)cc2F)C[C@H](C)O1 ZINC000827365413 675751161 /nfs/dbraw/zinc/75/11/61/675751161.db2.gz RQMDJQUIKJUXSQ-UHIISALHSA-N 0 3 359.392 2.038 20 10 FECDHN N[C@@H](CC(F)F)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665330 677053366 /nfs/dbraw/zinc/05/33/66/677053366.db2.gz UNLIRPWCCSHWCD-GWCFXTLKSA-N 0 3 363.355 2.356 20 10 FECDHN N[C@@H](CC(F)F)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665332 677053439 /nfs/dbraw/zinc/05/34/39/677053439.db2.gz UNLIRPWCCSHWCD-MFKMUULPSA-N 0 3 363.355 2.356 20 10 FECDHN Cc1cc(Br)cc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)c1O ZINC000841891828 680916468 /nfs/dbraw/zinc/91/64/68/680916468.db2.gz PSFPVVYRNONGTB-OLZOCXBDSA-N 0 3 357.292 2.350 20 10 FECDHN C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000764750471 680820169 /nfs/dbraw/zinc/82/01/69/680820169.db2.gz KMASAEJJMKHWLC-KBPBESRZSA-N 0 3 372.918 2.262 20 10 FECDHN Cc1cc([O-])c(C[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c(Cl)c1 ZINC000840888888 680849390 /nfs/dbraw/zinc/84/93/90/680849390.db2.gz DMODURALJZFUJJ-MRXNPFEDSA-N 0 3 353.894 2.386 20 10 FECDHN CCS(=O)(=O)CCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000840973005 680858175 /nfs/dbraw/zinc/85/81/75/680858175.db2.gz ARQPPAGMECZVGP-UHFFFAOYSA-N 0 3 350.278 2.378 20 10 FECDHN C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918949 680859350 /nfs/dbraw/zinc/85/93/50/680859350.db2.gz YOZPGLHAQRXTBU-WBVHZDCISA-N 0 3 366.937 2.073 20 10 FECDHN C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756459428 680479989 /nfs/dbraw/zinc/47/99/89/680479989.db2.gz NZMWWQMPUOYJOS-WDEREUQCSA-N 0 3 361.255 2.401 20 10 FECDHN C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756459428 680479993 /nfs/dbraw/zinc/47/99/93/680479993.db2.gz NZMWWQMPUOYJOS-WDEREUQCSA-N 0 3 361.255 2.401 20 10 FECDHN COc1ccc(N2CCN(C[C@H](O)CNCc3ccsc3)CC2)cc1 ZINC000758210298 680562523 /nfs/dbraw/zinc/56/25/23/680562523.db2.gz PCXMWNZIIFOSET-GOSISDBHSA-N 0 3 361.511 2.029 20 10 FECDHN Cc1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)c1[O-] ZINC000843119038 680988815 /nfs/dbraw/zinc/98/88/15/680988815.db2.gz UKYYSIUOHBNDSR-UHFFFAOYSA-N 0 3 361.877 2.428 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CC[C@@]2(O)CCCOC2)c1[O-] ZINC000846111148 681184415 /nfs/dbraw/zinc/18/44/15/681184415.db2.gz RSUBOZYXFKVSQJ-HNNXBMFYSA-N 0 3 360.248 2.185 20 10 FECDHN C[C@@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000846182205 681196826 /nfs/dbraw/zinc/19/68/26/681196826.db2.gz AIMYHOCSTGJFFM-WBVHZDCISA-N 0 3 351.516 2.361 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@H]2CCn3ccnc3C2)c1[O-] ZINC000778187653 681584169 /nfs/dbraw/zinc/58/41/69/681584169.db2.gz BYYREHMLSMZNRH-LBPRGKRZSA-N 0 3 352.232 2.464 20 10 FECDHN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000913878258 685487448 /nfs/dbraw/zinc/48/74/48/685487448.db2.gz PBWGLWOWYARBGA-IBGZPJMESA-N 0 3 365.543 2.390 20 10 FECDHN CN(C)c1ccc(CNCC(C)(C)NS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000792961924 682852232 /nfs/dbraw/zinc/85/22/32/682852232.db2.gz VWZSRXMMJQUMHV-UHFFFAOYSA-N 0 3 367.437 2.189 20 10 FECDHN COCCOC1(CNCc2cc(F)c(N(C)C)cc2F)CCOCC1 ZINC000858171247 682940331 /nfs/dbraw/zinc/94/03/31/682940331.db2.gz UIYQUUGBBVOHAS-UHFFFAOYSA-N 0 3 358.429 2.333 20 10 FECDHN C[C@H](NC[C@H](O)[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000858468008 682971158 /nfs/dbraw/zinc/97/11/58/682971158.db2.gz BHUKFMPOLVUTAU-DOPJRALCSA-N 0 3 354.878 2.367 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2COCCN2C)c1[O-] ZINC000858522896 682976511 /nfs/dbraw/zinc/97/65/11/682976511.db2.gz KYSUHZGLZGDLIR-JQWIXIFHSA-N 0 3 359.264 2.145 20 10 FECDHN COc1cc(Br)cc([C@@H](C)N[C@@H](C)C(=O)N(C)OC)c1O ZINC000858580930 682981580 /nfs/dbraw/zinc/98/15/80/682981580.db2.gz ZXTSJFWSFQHCDI-BDAKNGLRSA-N 0 3 361.236 2.222 20 10 FECDHN Cc1ccc(S(=O)(=O)[N-]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(F)c1F ZINC000858611180 682984758 /nfs/dbraw/zinc/98/47/58/682984758.db2.gz ILOMIGHHEYGLKC-CQSZACIVSA-N 0 3 369.437 2.318 20 10 FECDHN CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c([O-])c1 ZINC000865741936 684021871 /nfs/dbraw/zinc/02/18/71/684021871.db2.gz MWIFZCLCFNWVLS-IAGOWNOFSA-N 0 3 368.499 2.274 20 10 FECDHN O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000866493266 684111341 /nfs/dbraw/zinc/11/13/41/684111341.db2.gz YVRLMNFDJYDZKR-OAGGEKHMSA-N 0 3 350.484 2.362 20 10 FECDHN COC[C@]1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCCCN1 ZINC000876731387 686255876 /nfs/dbraw/zinc/25/58/76/686255876.db2.gz QDYWFRQLAZWLHZ-IBGZPJMESA-N 0 3 363.527 2.015 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)c2cn3ccnc3s2)N(C)C)cc1 ZINC000891247579 689039466 /nfs/dbraw/zinc/03/94/66/689039466.db2.gz IGNMUQWBOCQRHG-HNNXBMFYSA-N 0 3 357.483 2.495 20 10 FECDHN COCc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891250187 689039866 /nfs/dbraw/zinc/03/98/66/689039866.db2.gz VENNFMOCQXQKPT-OAHLLOKOSA-N 0 3 362.499 2.388 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccn(C(F)F)n2)N(C)C)cc1 ZINC000891249646 689039966 /nfs/dbraw/zinc/03/99/66/689039966.db2.gz VHZHJKNUVQWKRN-OAHLLOKOSA-N 0 3 351.401 2.377 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CSCCS2)N(C)C)cc1 ZINC000891252661 689040427 /nfs/dbraw/zinc/04/04/27/689040427.db2.gz LXNSQMTYNRNWGX-HOTGVXAUSA-N 0 3 353.557 2.320 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)CSc2nncs2)N(C)C)cc1 ZINC000891256291 689040809 /nfs/dbraw/zinc/04/08/09/689040809.db2.gz XCVHJQKUKIQGDF-CQSZACIVSA-N 0 3 365.528 2.115 20 10 FECDHN COC(=O)[C@@H]1[C@@H](CNCc2ccc(N3CCSCC3)cc2)C1(F)F ZINC000894191960 689483752 /nfs/dbraw/zinc/48/37/52/689483752.db2.gz SYKIMPYQHOJNCO-CABCVRRESA-N 0 3 356.438 2.384 20 10 FECDHN COc1cc(C)cc(CNCc2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000894896565 689615481 /nfs/dbraw/zinc/61/54/81/689615481.db2.gz YIJKXPGLLRJRSJ-UHFFFAOYSA-N 0 3 364.467 2.249 20 10 FECDHN CC[C@@H](CCO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102842 690304421 /nfs/dbraw/zinc/30/44/21/690304421.db2.gz SLWJUDAZFRSSHD-YJBOKZPZSA-N 0 3 350.507 2.063 20 10 FECDHN [O-]c1c(Br)cccc1C[NH2+][C@H]1CNCC2(CCOCC2)C1 ZINC000903975231 690990704 /nfs/dbraw/zinc/99/07/04/690990704.db2.gz ZNVYNUFDGLMQFL-CYBMUJFWSA-N 0 3 355.276 2.403 20 10 FECDHN [O-]c1c(Br)cccc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975231 690990707 /nfs/dbraw/zinc/99/07/07/690990707.db2.gz ZNVYNUFDGLMQFL-CYBMUJFWSA-N 0 3 355.276 2.403 20 10 FECDHN C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000359958537 210201518 /nfs/dbraw/zinc/20/15/18/210201518.db2.gz KGTFPYFJGZQRQS-YLJYHZDGSA-N 0 3 373.541 2.328 20 10 FECDHN c1cc(N2CCOCC2)ccc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000093011539 542901488 /nfs/dbraw/zinc/90/14/88/542901488.db2.gz MBLSPWOMIBNLFP-NRFANRHFSA-N 0 3 359.514 2.210 20 10 FECDHN NC(=O)C1CCN(c2ncccc2CNCc2c(O)cccc2Cl)CC1 ZINC000113335319 543484498 /nfs/dbraw/zinc/48/44/98/543484498.db2.gz RMUANKHQQQWOTI-UHFFFAOYSA-N 0 3 374.872 2.432 20 10 FECDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@H]1C[C@H]1c1cccnc1 ZINC000131352467 544187032 /nfs/dbraw/zinc/18/70/32/544187032.db2.gz MEUQZOCNFZUCLL-IRXDYDNUSA-N 0 3 354.429 2.050 20 10 FECDHN O=C(CN1C[C@@H]2CCC[C@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000152974489 544718551 /nfs/dbraw/zinc/71/85/51/544718551.db2.gz ONDXGOKWONEFGI-IRXDYDNUSA-N 0 3 361.461 2.010 20 10 FECDHN COc1ccc(N2CCN(CCCN[C@@H](C)c3cnccn3)CC2)cc1 ZINC000162809898 546141840 /nfs/dbraw/zinc/14/18/40/546141840.db2.gz OFRWUBNPHOKJKR-KRWDZBQOSA-N 0 3 355.486 2.348 20 10 FECDHN CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1[O-] ZINC000177037269 546528816 /nfs/dbraw/zinc/52/88/16/546528816.db2.gz WXRHSJBYHLEWOJ-UHFFFAOYSA-N 0 3 361.364 2.382 20 10 FECDHN CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1[O-] ZINC000177037269 546528822 /nfs/dbraw/zinc/52/88/22/546528822.db2.gz WXRHSJBYHLEWOJ-UHFFFAOYSA-N 0 3 361.364 2.382 20 10 FECDHN COc1ccc(O)c(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000179882571 547024099 /nfs/dbraw/zinc/02/40/99/547024099.db2.gz LRRVIRRGFXQANZ-LBPRGKRZSA-N 0 3 350.440 2.241 20 10 FECDHN COc1cc(O)c(CN2CCC([C@@H](O)c3nccn3C)CC2)cc1OC ZINC000180280066 547078429 /nfs/dbraw/zinc/07/84/29/547078429.db2.gz BLTAIKQIZAMHDY-GOSISDBHSA-N 0 3 361.442 2.089 20 10 FECDHN COc1ccc(O)c([C@H](C)NCc2cccnc2N2CCN(C)CC2)c1 ZINC000185165842 547944979 /nfs/dbraw/zinc/94/49/79/547944979.db2.gz ZYMMFYPCUPUWCF-HNNXBMFYSA-N 0 3 356.470 2.398 20 10 FECDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185392905 547978595 /nfs/dbraw/zinc/97/85/95/547978595.db2.gz QRHBJMPUBUHHAS-OLZOCXBDSA-N 0 3 356.308 2.441 20 10 FECDHN C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000185881963 548050315 /nfs/dbraw/zinc/05/03/15/548050315.db2.gz TYKULPGLELKGHL-ZDUSSCGKSA-N 0 3 356.308 2.270 20 10 FECDHN CCOc1cccc(CNCCNS(=O)(=O)c2ccc(C)cc2)c1O ZINC000236931520 548789062 /nfs/dbraw/zinc/78/90/62/548789062.db2.gz WWFPROHYDPJGTL-UHFFFAOYSA-N 0 3 364.467 2.167 20 10 FECDHN O=C(CCN1CCOCC1)Nc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000238107699 548878878 /nfs/dbraw/zinc/87/88/78/548878878.db2.gz VNYYGEQNIHAPDY-UHFFFAOYSA-N 0 3 369.465 2.343 20 10 FECDHN COCc1ccc(CNCCN2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000268775538 550114756 /nfs/dbraw/zinc/11/47/56/550114756.db2.gz GVWVHLGHJYQVGK-UHFFFAOYSA-N 0 3 359.470 2.346 20 10 FECDHN CC[C@@H](NCCN1CCN(c2ccc(OC)cc2)CC1)c1cnn(C)c1 ZINC000268820082 550120025 /nfs/dbraw/zinc/12/00/25/550120025.db2.gz LORGQBFHKMMKBJ-HXUWFJFHSA-N 0 3 357.502 2.292 20 10 FECDHN C[C@@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1=CCN(C)CC1 ZINC000273044364 550482236 /nfs/dbraw/zinc/48/22/36/550482236.db2.gz WQWXTUIPACLCLY-ZGRWHYIRSA-N 0 3 355.482 2.303 20 10 FECDHN CC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(C)cc1[O-] ZINC000280106507 550961579 /nfs/dbraw/zinc/96/15/79/550961579.db2.gz NLUMAQPHXSJHER-RDJZCZTQSA-N 0 3 370.515 2.230 20 10 FECDHN CN1CCN(CCNC(=O)NCc2c(O)ccc3c2CCCC3)CC1(C)C ZINC000282046678 551173841 /nfs/dbraw/zinc/17/38/41/551173841.db2.gz BKKRJQMOWGTLDC-UHFFFAOYSA-N 0 3 374.529 2.096 20 10 FECDHN CN1CCN(CC[NH2+]Cc2cc(Br)ccc2[O-])CC1(C)C ZINC000282439044 551228924 /nfs/dbraw/zinc/22/89/24/551228924.db2.gz RTVTTYVEUUTPOB-UHFFFAOYSA-N 0 3 356.308 2.270 20 10 FECDHN CCCCN(CC(=O)N1CCC[C@@H](NC(C)=O)C1)Cc1ccccc1O ZINC000282547447 551245213 /nfs/dbraw/zinc/24/52/13/551245213.db2.gz WSDLUFXHFKSNEH-GOSISDBHSA-N 0 3 361.486 2.121 20 10 FECDHN COC(=O)c1cn(CCN[C@@H](C)c2ccc(N3CCCCC3)cc2)nn1 ZINC000284235010 551506411 /nfs/dbraw/zinc/50/64/11/551506411.db2.gz DSDVJEPSUPLMSN-HNNXBMFYSA-N 0 3 357.458 2.406 20 10 FECDHN CCNC(=O)C[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284753893 551624921 /nfs/dbraw/zinc/62/49/21/551624921.db2.gz LPEKFVRCGFHCBZ-LJQANCHMSA-N 0 3 374.529 2.092 20 10 FECDHN CCNC(=O)C[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284753892 551624957 /nfs/dbraw/zinc/62/49/57/551624957.db2.gz LPEKFVRCGFHCBZ-IBGZPJMESA-N 0 3 374.529 2.092 20 10 FECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291761322 552659242 /nfs/dbraw/zinc/65/92/42/552659242.db2.gz VOVCHKXIDQRAKN-DWQUBVKVSA-N 0 3 355.390 2.449 20 10 FECDHN O=C([C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000296548105 553177915 /nfs/dbraw/zinc/17/79/15/553177915.db2.gz SRVNDKITTQBRNX-RBUKOAKNSA-N 0 3 366.461 2.439 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CCN(C)CC23CCCCC3)cc1 ZINC000299449923 553564925 /nfs/dbraw/zinc/56/49/25/553564925.db2.gz ZADSDLNBZJTZGZ-UHFFFAOYSA-N 0 3 358.530 2.319 20 10 FECDHN C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360078413 554862154 /nfs/dbraw/zinc/86/21/54/554862154.db2.gz HXILEPZRDVBMTN-NVXWUHKLSA-N 0 3 373.476 2.325 20 10 FECDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000364734123 555388809 /nfs/dbraw/zinc/38/88/09/555388809.db2.gz JDKVFJOOYDLNGM-DBXWQHBBSA-N 0 3 357.498 2.436 20 10 FECDHN CN(C)c1ccc(CN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C2CC2)cc1 ZINC000365146741 555494925 /nfs/dbraw/zinc/49/49/25/555494925.db2.gz OIQCGUVYWVDTGY-VQTJNVASSA-N 0 3 372.513 2.290 20 10 FECDHN COc1cccc(CNC(=O)C2CCN(Cc3cccnc3)CC2)c1O ZINC000365544272 555604623 /nfs/dbraw/zinc/60/46/23/555604623.db2.gz FPJYNJAQEBOJOL-UHFFFAOYSA-N 0 3 355.438 2.324 20 10 FECDHN Nc1nccc([C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000367656606 556106400 /nfs/dbraw/zinc/10/64/00/556106400.db2.gz DKZWLUKHRUJODC-KRWDZBQOSA-N 0 3 353.470 2.275 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000368335652 556280966 /nfs/dbraw/zinc/28/09/66/556280966.db2.gz ZLCBJGDOYCHFCA-HNNXBMFYSA-N 0 3 361.486 2.138 20 10 FECDHN COc1cc([O-])c(C[NH2+][C@@H]2CCN(C(=O)Cc3ccccc3)C2)cc1OC ZINC000368488741 556324855 /nfs/dbraw/zinc/32/48/55/556324855.db2.gz SRHIZNGLOHUTIF-QGZVFWFLSA-N 0 3 370.449 2.343 20 10 FECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000369050586 556489100 /nfs/dbraw/zinc/48/91/00/556489100.db2.gz IVVISHZWPMGLJX-RTBURBONSA-N 0 3 360.502 2.147 20 10 FECDHN CN1C(=O)C[C@@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)[C@@H]1c1ccccc1 ZINC000369527785 556621441 /nfs/dbraw/zinc/62/14/41/556621441.db2.gz OTBVIBUNYAQRCP-YWZLYKJASA-N 0 3 354.406 2.430 20 10 FECDHN COc1cc(O)c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OC ZINC000373216718 557651798 /nfs/dbraw/zinc/65/17/98/557651798.db2.gz BKGPOPBQOJKBRZ-UHFFFAOYSA-N 0 3 362.386 2.351 20 10 FECDHN CCOC(=O)C1(COC)CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000373490630 557703380 /nfs/dbraw/zinc/70/33/80/557703380.db2.gz QQPAXNZBCQPESC-UHFFFAOYSA-N 0 3 367.442 2.201 20 10 FECDHN COc1cccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1[O-] ZINC000375569165 558050091 /nfs/dbraw/zinc/05/00/91/558050091.db2.gz GVDIXAWDOIJTSH-CQSZACIVSA-N 0 3 372.469 2.088 20 10 FECDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCN2CCC2)C1 ZINC000444267801 560107526 /nfs/dbraw/zinc/10/75/26/560107526.db2.gz QNRBJORUOXZWML-UHFFFAOYSA-N 0 3 354.498 2.230 20 10 FECDHN COCCN1CCC[C@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471866630 561013297 /nfs/dbraw/zinc/01/32/97/561013297.db2.gz VXZYZMIBTRKYAN-INIZCTEOSA-N 0 3 358.486 2.397 20 10 FECDHN Cn1cncc1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000807108070 674405298 /nfs/dbraw/zinc/40/52/98/674405298.db2.gz QUIMGIAVVFFWIZ-OAHLLOKOSA-N 0 3 362.861 2.102 20 10 FECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccon2)c1[O-] ZINC000808700000 674469092 /nfs/dbraw/zinc/46/90/92/674469092.db2.gz ATXUZHHZIBEXMY-LLVKDONJSA-N 0 3 373.862 2.112 20 10 FECDHN COCCN1CCC[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000153439441 672198412 /nfs/dbraw/zinc/19/84/12/672198412.db2.gz IOPLKQUFPYTFFY-ZDUSSCGKSA-N 0 3 358.533 2.035 20 10 FECDHN CCS(=O)(=O)CCN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120084 675262408 /nfs/dbraw/zinc/26/24/08/675262408.db2.gz KHRFRSGEDPEKSW-ZDUSSCGKSA-N 0 3 362.442 2.281 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCCN2CCCO)c1[O-] ZINC000824559834 675610254 /nfs/dbraw/zinc/61/02/54/675610254.db2.gz ZWSYZYZPIFTWTN-CQSZACIVSA-N 0 3 373.291 2.100 20 10 FECDHN COc1cc(Br)cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)c1[O-] ZINC000825130484 675638308 /nfs/dbraw/zinc/63/83/08/675638308.db2.gz YWBYGDXRJCEXIK-GWCFXTLKSA-N 0 3 360.248 2.135 20 10 FECDHN COc1cc(Br)cc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c1[O-] ZINC000825130484 675638309 /nfs/dbraw/zinc/63/83/09/675638309.db2.gz YWBYGDXRJCEXIK-GWCFXTLKSA-N 0 3 360.248 2.135 20 10 FECDHN NC(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)(F)F ZINC000828359591 675815346 /nfs/dbraw/zinc/81/53/46/675815346.db2.gz ZDIJPWAQESXYJN-LBPRGKRZSA-N 0 3 367.318 2.263 20 10 FECDHN CN(C)c1ccc(/C=C\CNC[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000835052838 680291338 /nfs/dbraw/zinc/29/13/38/680291338.db2.gz HWNRFORQZZHOOI-MJRGOJFPSA-N 0 3 351.516 2.170 20 10 FECDHN CCC[C@H](O)[C@H](CO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000842225085 680933732 /nfs/dbraw/zinc/93/37/32/680933732.db2.gz HDMGRGYGAWYTIJ-YJBOKZPZSA-N 0 3 351.447 2.197 20 10 FECDHN CCOc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c([O-])c1 ZINC000768438256 680947068 /nfs/dbraw/zinc/94/70/68/680947068.db2.gz QQONLXGESODEMG-HNNXBMFYSA-N 0 3 356.488 2.085 20 10 FECDHN CCOc1ccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c([O-])c1 ZINC000768438256 680947069 /nfs/dbraw/zinc/94/70/69/680947069.db2.gz QQONLXGESODEMG-HNNXBMFYSA-N 0 3 356.488 2.085 20 10 FECDHN CCOc1ccc(O)c(CNC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000842722574 680962314 /nfs/dbraw/zinc/96/23/14/680962314.db2.gz RLPJJLPZNQDCMF-OAHLLOKOSA-N 0 3 363.435 2.115 20 10 FECDHN CCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000775696753 681324678 /nfs/dbraw/zinc/32/46/78/681324678.db2.gz NUBGZNSFVROPLH-KRWDZBQOSA-N 0 3 367.559 2.084 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cn2cncn2)c1[O-] ZINC000848525272 681571082 /nfs/dbraw/zinc/57/10/82/681571082.db2.gz LCASKVFTUQNQHX-ZJUUUORDSA-N 0 3 355.236 2.494 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1[O-] ZINC000848528207 681571888 /nfs/dbraw/zinc/57/18/88/681571888.db2.gz KJWGFHLBPQAQEZ-YPMHNXCESA-N 0 3 372.307 2.060 20 10 FECDHN Cc1ccc(S(=O)(=O)[N-]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c(F)c1F ZINC000858611179 682984589 /nfs/dbraw/zinc/98/45/89/682984589.db2.gz ILOMIGHHEYGLKC-AWEZNQCLSA-N 0 3 369.437 2.318 20 10 FECDHN CN(C)c1ccc(CNCc2nc(C[NH3+])cc(=O)[n-]2)c(C(F)(F)F)c1 ZINC000863647871 683756723 /nfs/dbraw/zinc/75/67/23/683756723.db2.gz FRYXMRFQHISXKD-UHFFFAOYSA-N 0 3 355.364 2.016 20 10 FECDHN CC1CCN(c2ccc(CNS(=O)(=O)CCCN(C)C)cc2)CC1 ZINC000866753440 684145549 /nfs/dbraw/zinc/14/55/49/684145549.db2.gz SFJHFENKQLQCNB-UHFFFAOYSA-N 0 3 353.532 2.294 20 10 FECDHN CSc1nccnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245511 689039424 /nfs/dbraw/zinc/03/94/24/689039424.db2.gz FMZBQGRBWIDZEG-HNNXBMFYSA-N 0 3 359.499 2.297 20 10 FECDHN F[C@H]1CC2(CC[C@@H]1NCc1ccc(N3CCOCC3)cc1)OCCO2 ZINC000892668908 689225977 /nfs/dbraw/zinc/22/59/77/689225977.db2.gz UEYUBGURFHNNET-ROUUACIJSA-N 0 3 350.434 2.247 20 10 FECDHN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1csnn1 ZINC000895375691 689705323 /nfs/dbraw/zinc/70/53/23/689705323.db2.gz BEGVLAVZLYREDO-LRDDRELGSA-N 0 3 362.503 2.267 20 10 FECDHN COc1ccc(O)c(CN2CCC(S(=O)(=O)N3CCCCC3)CC2)c1 ZINC000897273075 689998639 /nfs/dbraw/zinc/99/86/39/689998639.db2.gz JSPHEIZLSJHIGA-UHFFFAOYSA-N 0 3 368.499 2.181 20 10 FECDHN COC(=O)c1cnc(CNC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898446763 690185720 /nfs/dbraw/zinc/18/57/20/690185720.db2.gz AFOVHZZUBVARHJ-OAHLLOKOSA-N 0 3 362.499 2.388 20 10 FECDHN CCOc1ccnc(N2CCCN(Cc3cccc(OC)c3O)CC2)n1 ZINC000091959526 542834202 /nfs/dbraw/zinc/83/42/02/542834202.db2.gz RHGIWWDVOIZKTP-UHFFFAOYSA-N 0 3 358.442 2.302 20 10 FECDHN CCOc1ccc(O)c(CN2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000159448996 545953812 /nfs/dbraw/zinc/95/38/12/545953812.db2.gz SLDMYUKTOYVJQW-HNNXBMFYSA-N 0 3 356.488 2.085 20 10 FECDHN COc1cc(O)c(CN2CCCC[C@H]2CN2CCOCC2)cc1OC ZINC000180027568 547041014 /nfs/dbraw/zinc/04/10/14/547041014.db2.gz HQGOEQGKONJSFJ-INIZCTEOSA-N 0 3 350.459 2.096 20 10 FECDHN C[C@@H]1CN(CC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)C[C@H](C)O1 ZINC000180741499 547170950 /nfs/dbraw/zinc/17/09/50/547170950.db2.gz ISBPJJFBDKOHOF-YHDUYMPDSA-N 0 3 374.481 2.459 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c1 ZINC000184980874 547911326 /nfs/dbraw/zinc/91/13/26/547911326.db2.gz FRNAQHGUMJQJOO-INIZCTEOSA-N 0 3 371.485 2.054 20 10 FECDHN C[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1[O-])N1CCN(C)CC1 ZINC000185365897 547975375 /nfs/dbraw/zinc/97/53/75/547975375.db2.gz AXCGPUFSFVHBEK-CHWSQXEVSA-N 0 3 356.308 2.441 20 10 FECDHN C[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(N(C)C)cc1 ZINC000189169162 548297892 /nfs/dbraw/zinc/29/78/92/548297892.db2.gz UHJUGDQXXWYOCH-HNNXBMFYSA-N 0 3 362.495 2.369 20 10 FECDHN COc1cc(N2CCN(CC[C@H]3CCCO3)CC2)cc(OC)c1OC ZINC000189974282 548315480 /nfs/dbraw/zinc/31/54/80/548315480.db2.gz RZEDOOTZBCQMQG-MRXNPFEDSA-N 0 3 350.459 2.404 20 10 FECDHN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1CCN(C2CC2)CC1 ZINC000194671091 548514443 /nfs/dbraw/zinc/51/44/43/548514443.db2.gz NKQNGUQPHCWXJH-UHFFFAOYSA-N 0 3 371.525 2.386 20 10 FECDHN CCN(Cc1cc(Br)ccc1O)C(=O)CNC[C@@H]1CCCO1 ZINC000236916748 548788008 /nfs/dbraw/zinc/78/80/08/548788008.db2.gz DLVOWPCSVPYXSR-AWEZNQCLSA-N 0 3 371.275 2.272 20 10 FECDHN CCN1CCN(CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000263685370 549919114 /nfs/dbraw/zinc/91/91/14/549919114.db2.gz OPBNYXYYHGWVOO-UHFFFAOYSA-N 0 3 358.530 2.271 20 10 FECDHN NC[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000269235313 550170529 /nfs/dbraw/zinc/17/05/29/550170529.db2.gz GDPFCQVNQCLGCX-GOSISDBHSA-N 0 3 371.456 2.146 20 10 FECDHN CCN1CCN(Cc2ccc(CNC(=O)Cc3ccc(N)cc3)cc2)CC1 ZINC000269307735 550179441 /nfs/dbraw/zinc/17/94/41/550179441.db2.gz UTGCSGHBYQNIBI-UHFFFAOYSA-N 0 3 366.509 2.265 20 10 FECDHN CCCOc1ccc(C[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)c([O-])c1 ZINC000273610975 550505302 /nfs/dbraw/zinc/50/53/02/550505302.db2.gz AEYSGNCZTBCRGC-UHFFFAOYSA-N 0 3 374.441 2.396 20 10 FECDHN CCOc1cccc(CN2CCC(n3cc(C(=O)OC)nn3)CC2)c1O ZINC000273718631 550508964 /nfs/dbraw/zinc/50/89/64/550508964.db2.gz HQLMKHLVTNTVAY-UHFFFAOYSA-N 0 3 360.414 2.006 20 10 FECDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000273799071 550511456 /nfs/dbraw/zinc/51/14/56/550511456.db2.gz WUSVKSRQEGMIEQ-OLZOCXBDSA-N 0 3 370.877 2.417 20 10 FECDHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000273799071 550511457 /nfs/dbraw/zinc/51/14/57/550511457.db2.gz WUSVKSRQEGMIEQ-OLZOCXBDSA-N 0 3 370.877 2.417 20 10 FECDHN C[C@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000280972307 551050788 /nfs/dbraw/zinc/05/07/88/551050788.db2.gz LJRRETPUONNAMC-AWEZNQCLSA-N 0 3 370.490 2.280 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000296286058 553135224 /nfs/dbraw/zinc/13/52/24/553135224.db2.gz OXVBJDVNJFKHKP-RLLQIKCJSA-N 0 3 357.498 2.258 20 10 FECDHN C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCN(C2CC2)C1 ZINC000297364106 553283380 /nfs/dbraw/zinc/28/33/80/553283380.db2.gz LUWKONOGALXPFS-KRWDZBQOSA-N 0 3 372.513 2.149 20 10 FECDHN COc1ccc(N2CCC(N(C)C[C@@H](C)CS(C)(=O)=O)CC2)cc1 ZINC000361334451 554917020 /nfs/dbraw/zinc/91/70/20/554917020.db2.gz FWHKBDQMWXRBSO-OAHLLOKOSA-N 0 3 354.516 2.277 20 10 FECDHN COc1cccc(C[NH2+]CCC(=O)N2CCOc3ccccc3C2)c1[O-] ZINC000362718850 554983567 /nfs/dbraw/zinc/98/35/67/554983567.db2.gz CFORCCRVGOPAGD-UHFFFAOYSA-N 0 3 356.422 2.302 20 10 FECDHN Cc1ccc(C(=O)NC2CC[NH+](CC3(O)CCCCC3)CC2)c([O-])c1O ZINC000364702119 555378921 /nfs/dbraw/zinc/37/89/21/555378921.db2.gz NPPDHGZCONVOAS-UHFFFAOYSA-N 0 3 362.470 2.296 20 10 FECDHN COc1cc([O-])c(C[N@H+](C)C2CCN(c3cccnn3)CC2)cc1OC ZINC000364902865 555431945 /nfs/dbraw/zinc/43/19/45/555431945.db2.gz CGVXFOLQFXVVJO-UHFFFAOYSA-N 0 3 358.442 2.300 20 10 FECDHN COc1cc([O-])c(C[N@@H+](C)C2CCN(c3cccnn3)CC2)cc1OC ZINC000364902865 555431947 /nfs/dbraw/zinc/43/19/47/555431947.db2.gz CGVXFOLQFXVVJO-UHFFFAOYSA-N 0 3 358.442 2.300 20 10 FECDHN O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000367689971 556115563 /nfs/dbraw/zinc/11/55/63/556115563.db2.gz SSKKQLIAGPXRPW-LBPRGKRZSA-N 0 3 370.471 2.393 20 10 FECDHN CCN(CC)c1ccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000369026886 556480690 /nfs/dbraw/zinc/48/06/90/556480690.db2.gz JRPIOGGJTGVAJB-OALUTQOASA-N 0 3 360.502 2.195 20 10 FECDHN CC(C)(O)CN1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000376384980 558166559 /nfs/dbraw/zinc/16/65/59/558166559.db2.gz KZEWEGACGXYGBA-UHFFFAOYSA-N 0 3 372.513 2.051 20 10 FECDHN O=C1CO[C@H]2CCN(Cc3ccc(OCc4ccccc4)cc3O)C[C@@H]2N1 ZINC000377228053 558293989 /nfs/dbraw/zinc/29/39/89/558293989.db2.gz YYVGLCLXIFGVLP-ICSRJNTNSA-N 0 3 368.433 2.061 20 10 FECDHN COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccccc2-c2nnn[n-]2)c1 ZINC000826210392 608502154 /nfs/dbraw/zinc/50/21/54/608502154.db2.gz PNVKLLXBOFXSLN-LBPRGKRZSA-N 0 3 355.398 2.311 20 10 FECDHN COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccccc2-c2nn[n-]n2)c1 ZINC000826210392 608502159 /nfs/dbraw/zinc/50/21/59/608502159.db2.gz PNVKLLXBOFXSLN-LBPRGKRZSA-N 0 3 355.398 2.311 20 10 FECDHN O=S1(=O)CCCN1c1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000185099899 672518835 /nfs/dbraw/zinc/51/88/35/672518835.db2.gz UVIKPYJYFJAEDF-UHFFFAOYSA-N 0 3 358.463 2.451 20 10 FECDHN COc1ccc(N2CCN(C(=O)CN3CCSC[C@@H](C)C3)CC2)cc1 ZINC000190412202 672640486 /nfs/dbraw/zinc/64/04/86/672640486.db2.gz LGZDDCMXQNCGIH-INIZCTEOSA-N 0 3 363.527 2.029 20 10 FECDHN C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(Br)cc1[O-] ZINC000825621630 675661271 /nfs/dbraw/zinc/66/12/71/675661271.db2.gz NHOQDXNOUXEBAS-GFCCVEGCSA-N 0 3 357.292 2.432 20 10 FECDHN C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(Br)cc1[O-] ZINC000825621630 675661275 /nfs/dbraw/zinc/66/12/75/675661275.db2.gz NHOQDXNOUXEBAS-GFCCVEGCSA-N 0 3 357.292 2.432 20 10 FECDHN COc1cc(Cl)cc(CNCCS(=O)(=O)CC(F)(F)F)c1O ZINC000827047009 675725487 /nfs/dbraw/zinc/72/54/87/675725487.db2.gz CJCTZYJPTSPPME-UHFFFAOYSA-N 0 3 361.769 2.121 20 10 FECDHN Cc1cc([O-])c(C[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c(Cl)c1 ZINC000840897470 680850916 /nfs/dbraw/zinc/85/09/16/680850916.db2.gz RMSKUBCLWRHGDQ-UHFFFAOYSA-N 0 3 353.894 2.386 20 10 FECDHN CC(C)[C@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)N(C)C ZINC000837706899 680638004 /nfs/dbraw/zinc/63/80/04/680638004.db2.gz HZOKYUIGOFJXLE-MRXNPFEDSA-N 0 3 355.429 2.004 20 10 FECDHN CN(C)c1ccc([C@@H]([NH3+])C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000842784455 680966171 /nfs/dbraw/zinc/96/61/71/680966171.db2.gz JXTKFDAGNSVIBG-HNNXBMFYSA-N 0 3 373.400 2.148 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCN(C)C2=O)c1[O-] ZINC000848531258 681572897 /nfs/dbraw/zinc/57/28/97/681572897.db2.gz MWSRFCOYSYBMBV-JOYOIKCWSA-N 0 3 357.248 2.435 20 10 FECDHN CCN1C[C@@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])CC1=O ZINC000848553374 681576812 /nfs/dbraw/zinc/57/68/12/681576812.db2.gz KXCKJSLKNSSPKC-KOLCDFICSA-N 0 3 357.248 2.435 20 10 FECDHN C[C@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)c1ccc(N(C)C)cc1 ZINC000914392204 685506407 /nfs/dbraw/zinc/50/64/07/685506407.db2.gz VRIJVBGFFJJPOK-YJBOKZPZSA-N 0 3 351.516 2.219 20 10 FECDHN O=S1(=O)CCCN1[C@@H]1CCCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000788389972 682527546 /nfs/dbraw/zinc/52/75/46/682527546.db2.gz XYLRIHDPQABUJY-GOSISDBHSA-N 0 3 364.511 2.271 20 10 FECDHN C[C@H](C[NH2+]Cc1c([O-])cccc1Br)CN1CCN(C)CC1 ZINC000858126071 682936279 /nfs/dbraw/zinc/93/62/79/682936279.db2.gz RIDFGHANBXKGPQ-CYBMUJFWSA-N 0 3 356.308 2.128 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CCC2(O)CCOCC2)c1[O-] ZINC000796466151 683163813 /nfs/dbraw/zinc/16/38/13/683163813.db2.gz MSVDHFMPNOATEH-UHFFFAOYSA-N 0 3 360.248 2.185 20 10 FECDHN CCN(CC)c1ccc(CN2CCC[C@@H](CS(=O)(=O)NC)C2)cc1 ZINC000862551626 683600386 /nfs/dbraw/zinc/60/03/86/683600386.db2.gz OXYIRVIIMOZXOQ-QGZVFWFLSA-N 0 3 353.532 2.294 20 10 FECDHN COc1ccc(CNCc2cn(CC(F)(F)F)c(=O)[nH]c2=O)cc1C ZINC000922496654 683735642 /nfs/dbraw/zinc/73/56/42/683735642.db2.gz RETWZMVMCFTSTJ-UHFFFAOYSA-N 0 3 357.332 2.118 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c1[O-] ZINC000886229164 688216740 /nfs/dbraw/zinc/21/67/40/688216740.db2.gz LXOKSUIOVNVTBM-CHWSQXEVSA-N 0 3 360.248 2.183 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cnn(C(F)F)c2)N(C)C)cc1 ZINC000891246995 689039527 /nfs/dbraw/zinc/03/95/27/689039527.db2.gz RFUDRIZUMZIUQA-OAHLLOKOSA-N 0 3 351.401 2.377 20 10 FECDHN Cc1c(Cl)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)nn1C ZINC000891250683 689039929 /nfs/dbraw/zinc/03/99/29/689039929.db2.gz YZJNYQGIFIJPFW-OAHLLOKOSA-N 0 3 363.893 2.481 20 10 FECDHN C[C@H](CCCCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098240 690303230 /nfs/dbraw/zinc/30/32/30/690303230.db2.gz MZUIQFOYDUGJBX-CRAIPNDOSA-N 0 3 350.507 2.206 20 10 FECDHN CCN(CC(C)(C)O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101779 690304398 /nfs/dbraw/zinc/30/43/98/690304398.db2.gz MGBUVKLXPUBRSL-KRWDZBQOSA-N 0 3 350.507 2.158 20 10 FECDHN CC[C@](C)(CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105495 690304783 /nfs/dbraw/zinc/30/47/83/690304783.db2.gz XPPDPKSLFVNHIK-PKOBYXMFSA-N 0 3 350.507 2.206 20 10 FECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCc2nnnn2C)c1[O-] ZINC000903348452 690883869 /nfs/dbraw/zinc/88/38/69/690883869.db2.gz CQVKJPSPBSTVRE-SNVBAGLBSA-N 0 3 354.252 2.270 20 10 FECDHN CC1CCN(c2ccc(CNC(=O)NCC3(O)CCN(C)CC3)cc2)CC1 ZINC000077824728 542424208 /nfs/dbraw/zinc/42/42/08/542424208.db2.gz VFOILPXZHBRXFI-UHFFFAOYSA-N 0 3 374.529 2.179 20 10 FECDHN Cc1cc(C(=O)NCCCN2CCC(O)CC2)c(C)n1-c1ccccn1 ZINC000118722125 543657126 /nfs/dbraw/zinc/65/71/26/543657126.db2.gz CFTCUUHEHPBJJL-UHFFFAOYSA-N 0 3 356.470 2.066 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000134934402 544328018 /nfs/dbraw/zinc/32/80/18/544328018.db2.gz HVGDNNVRYWKKCO-NQIIRXRSSA-N 0 3 370.541 2.318 20 10 FECDHN CCOc1ccc([O-])c(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1 ZINC000181116627 547252283 /nfs/dbraw/zinc/25/22/83/547252283.db2.gz AHLDEKLXXKZXTN-UHFFFAOYSA-N 0 3 370.515 2.331 20 10 FECDHN CCN1CCN(c2cccc(NC(=O)c3ccc4[nH]c(=O)[nH]c4c3)c2)CC1 ZINC000184278106 547799711 /nfs/dbraw/zinc/79/97/11/547799711.db2.gz AMTJRQBFJZDXTQ-UHFFFAOYSA-N 0 3 365.437 2.250 20 10 FECDHN C[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(Br)cc1[O-] ZINC000184900243 547896215 /nfs/dbraw/zinc/89/62/15/547896215.db2.gz FGHQFNVTNODIIH-ZDUSSCGKSA-N 0 3 356.308 2.443 20 10 FECDHN C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1cc(F)ccc1[O-] ZINC000185161489 547943424 /nfs/dbraw/zinc/94/34/24/547943424.db2.gz PAKCHIMVQHTGNK-ZDUSSCGKSA-N 0 3 352.431 2.302 20 10 FECDHN C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])N1CCN(C)CC1 ZINC000185365843 547975426 /nfs/dbraw/zinc/97/54/26/547975426.db2.gz AXCGPUFSFVHBEK-STQMWFEESA-N 0 3 356.308 2.441 20 10 FECDHN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1CCN(C2CC2)CC1 ZINC000195364958 548630148 /nfs/dbraw/zinc/63/01/48/548630148.db2.gz LTLCRMJRFIYLRK-UHFFFAOYSA-N 0 3 361.461 2.153 20 10 FECDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@@H]1COc2ccccc2C1 ZINC000237831081 548857296 /nfs/dbraw/zinc/85/72/96/548857296.db2.gz DRRMUHTVZZGPIE-KRWDZBQOSA-N 0 3 369.440 2.103 20 10 FECDHN Nc1ccc(CCNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000237933234 548865649 /nfs/dbraw/zinc/86/56/49/548865649.db2.gz POWNAZZBBIGCOD-UHFFFAOYSA-N 0 3 352.482 2.140 20 10 FECDHN CO[C@@H](C)c1noc(CN2CCCN(Cc3cc(C)ccc3O)CC2)n1 ZINC000247228706 549302065 /nfs/dbraw/zinc/30/20/65/549302065.db2.gz WFIMMLQEUAEVNA-HNNXBMFYSA-N 0 3 360.458 2.499 20 10 FECDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000268197465 550037852 /nfs/dbraw/zinc/03/78/52/550037852.db2.gz NZHXABINNPQSBF-AHEMIPHESA-N 0 3 355.482 2.135 20 10 FECDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1cc(OC)c(OC)cc1O)CC2 ZINC000271883670 550408162 /nfs/dbraw/zinc/40/81/62/550408162.db2.gz VTAAPFIJANGXFA-ROUUACIJSA-N 0 3 351.443 2.161 20 10 FECDHN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(OC)c(OC)cc1[O-])CC2 ZINC000271883670 550408164 /nfs/dbraw/zinc/40/81/64/550408164.db2.gz VTAAPFIJANGXFA-ROUUACIJSA-N 0 3 351.443 2.161 20 10 FECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000273456525 550499178 /nfs/dbraw/zinc/49/91/78/550499178.db2.gz HCENDUCCQMLMSZ-IRWQIABSSA-N 0 3 362.470 2.207 20 10 FECDHN COc1cc(O)c(CN2CCN(C3CCOCC3)C[C@@H]2C)cc1OC ZINC000278241133 550764423 /nfs/dbraw/zinc/76/44/23/550764423.db2.gz KXZOEORUYSBLAC-AWEZNQCLSA-N 0 3 350.459 2.095 20 10 FECDHN COc1cc(O)c(CNCc2ccccc2Cn2cncn2)cc1OC ZINC000282911808 551284521 /nfs/dbraw/zinc/28/45/21/551284521.db2.gz DKVZTMYIGYWGPO-UHFFFAOYSA-N 0 3 354.410 2.339 20 10 FECDHN COc1cc([O-])c(C[NH2+]Cc2ccccc2Cn2cncn2)cc1OC ZINC000282911808 551284522 /nfs/dbraw/zinc/28/45/22/551284522.db2.gz DKVZTMYIGYWGPO-UHFFFAOYSA-N 0 3 354.410 2.339 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H]1CCC[C@H]1SCC)cc2=O ZINC000285591622 551779767 /nfs/dbraw/zinc/77/97/67/551779767.db2.gz BLTOONKXAJASHX-ZIAGYGMSSA-N 0 3 364.471 2.375 20 10 FECDHN CS(=O)(=O)NCC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000289085490 552263362 /nfs/dbraw/zinc/26/33/62/552263362.db2.gz BEBLUBUUZNSMCQ-UHFFFAOYSA-N 0 3 365.543 2.438 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](CSC)C1)cc2=O ZINC000292513018 552733905 /nfs/dbraw/zinc/73/39/05/552733905.db2.gz VRWBLBULKMTZGL-GFCCVEGCSA-N 0 3 364.471 2.187 20 10 FECDHN Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c([O-])c1 ZINC000294652597 552923972 /nfs/dbraw/zinc/92/39/72/552923972.db2.gz GUPCUVNYBPVWRL-JKSUJKDBSA-N 0 3 370.515 2.148 20 10 FECDHN COC1CCN(c2ccc(CN3CCN(C[C@H]4CCOC4)CC3)cc2)CC1 ZINC000295086066 552957626 /nfs/dbraw/zinc/95/76/26/552957626.db2.gz RPZHRSAXCZQQIW-HXUWFJFHSA-N 0 3 373.541 2.456 20 10 FECDHN O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296701396 553200200 /nfs/dbraw/zinc/20/02/00/553200200.db2.gz HQOXTTGFWBZYOI-CYBMUJFWSA-N 0 3 360.426 2.234 20 10 FECDHN Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cc4c(cc3[O-])OCO4)CCCN2C)cn1 ZINC000363177513 555046646 /nfs/dbraw/zinc/04/66/46/555046646.db2.gz VHUMSXXZVXUVAX-YJYMSZOUSA-N 0 3 358.442 2.027 20 10 FECDHN COc1cc(Cl)cc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC000363909057 555211292 /nfs/dbraw/zinc/21/12/92/555211292.db2.gz MUAKMGDJNWQKID-CVEARBPZSA-N 0 3 354.878 2.475 20 10 FECDHN COc1cc(Cl)cc(CN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c1[O-] ZINC000363909057 555211293 /nfs/dbraw/zinc/21/12/93/555211293.db2.gz MUAKMGDJNWQKID-CVEARBPZSA-N 0 3 354.878 2.475 20 10 FECDHN O=C1CCN(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000368600634 556358938 /nfs/dbraw/zinc/35/89/38/556358938.db2.gz CDXBQSXSOAOKFW-UHFFFAOYSA-N 0 3 353.413 2.469 20 10 FECDHN COCCCN1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000369654296 556659642 /nfs/dbraw/zinc/65/96/42/556659642.db2.gz CNTYUZQDKJJKBP-UHFFFAOYSA-N 0 3 366.481 2.146 20 10 FECDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2nc[nH]n2)C1 ZINC000518680399 562116381 /nfs/dbraw/zinc/11/63/81/562116381.db2.gz WLZKZAWYRCURLO-CQSZACIVSA-N 0 3 366.469 2.403 20 10 FECDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2nnc[nH]2)C1 ZINC000518680399 562116382 /nfs/dbraw/zinc/11/63/82/562116382.db2.gz WLZKZAWYRCURLO-CQSZACIVSA-N 0 3 366.469 2.403 20 10 FECDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000372293668 557431835 /nfs/dbraw/zinc/43/18/35/557431835.db2.gz FUQVCWFIRQKDAB-GOSISDBHSA-N 0 3 373.497 2.279 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)c1 ZINC000372301239 557434010 /nfs/dbraw/zinc/43/40/10/557434010.db2.gz MAWHEXBYVPFKGN-CYBMUJFWSA-N 0 3 358.442 2.090 20 10 FECDHN COc1ccc(O)c([C@@H](C)N2CCC(NC(=O)c3cnn(C)c3)CC2)c1 ZINC000372301239 557434012 /nfs/dbraw/zinc/43/40/12/557434012.db2.gz MAWHEXBYVPFKGN-CYBMUJFWSA-N 0 3 358.442 2.090 20 10 FECDHN CCOc1cccc(C[NH+]2C[C@@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)c1[O-] ZINC000372428742 557468015 /nfs/dbraw/zinc/46/80/15/557468015.db2.gz QOCOLGWTPHNJHZ-HZPDHXFCSA-N 0 3 372.469 2.300 20 10 FECDHN CCOc1ccc([O-])c(C[NH+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@@H]3C2)c1 ZINC000372428943 557468405 /nfs/dbraw/zinc/46/84/05/557468405.db2.gz SNHOGUXQYPUGGG-HOTGVXAUSA-N 0 3 372.469 2.300 20 10 FECDHN C[C@H](N[C@H]1CC(=O)N2CCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000374514294 557893544 /nfs/dbraw/zinc/89/35/44/557893544.db2.gz NUHURSUIXOUVNZ-UCLAIMLFSA-N 0 3 361.461 2.466 20 10 FECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1 ZINC000375556373 558047841 /nfs/dbraw/zinc/04/78/41/558047841.db2.gz FJMIOYLLDJAOJB-CQSZACIVSA-N 0 3 372.469 2.088 20 10 FECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000377640204 558383899 /nfs/dbraw/zinc/38/38/99/558383899.db2.gz MGTROLREPILNPH-OAHLLOKOSA-N 0 3 355.438 2.258 20 10 FECDHN CN(C)c1ccc(CN[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1F ZINC000377651486 558387049 /nfs/dbraw/zinc/38/70/49/558387049.db2.gz ULIPTHQVRSJLTD-HNNXBMFYSA-N 0 3 356.445 2.359 20 10 FECDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000378442627 558558556 /nfs/dbraw/zinc/55/85/56/558558556.db2.gz KSGQCWSEUZLRFO-HUUCEWRRSA-N 0 3 362.470 2.249 20 10 FECDHN COc1ccc(O)c(CN2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000378442627 558558558 /nfs/dbraw/zinc/55/85/58/558558558.db2.gz KSGQCWSEUZLRFO-HUUCEWRRSA-N 0 3 362.470 2.249 20 10 FECDHN C[C@@H]1CN(C(=O)C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)C[C@H](C)O1 ZINC000378498451 558570180 /nfs/dbraw/zinc/57/01/80/558570180.db2.gz SCQBOWCITYTCBF-OKILXGFUSA-N 0 3 350.434 2.379 20 10 FECDHN O=S(=O)(c1ccccc1)N1CC[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000808433974 674458826 /nfs/dbraw/zinc/45/88/26/674458826.db2.gz UDFLSTALPUDSAW-KRWDZBQOSA-N 0 3 358.463 2.174 20 10 FECDHN COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826210295 608500457 /nfs/dbraw/zinc/50/04/57/608500457.db2.gz LVBQXVSXBGGGFW-GFCCVEGCSA-N 0 3 355.398 2.311 20 10 FECDHN COc1cccc(CNCc2cccc(S(=O)(=O)NC(C)C)c2)c1O ZINC000725847362 673094305 /nfs/dbraw/zinc/09/43/05/673094305.db2.gz IVLKQZRXWOOCEP-UHFFFAOYSA-N 0 3 364.467 2.377 20 10 FECDHN CNS(=O)(=O)C1CCN(Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827794763 675779091 /nfs/dbraw/zinc/77/90/91/675779091.db2.gz QMJXBFPCIIAHEE-UHFFFAOYSA-N 0 3 365.543 2.499 20 10 FECDHN C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918932 680859411 /nfs/dbraw/zinc/85/94/11/680859411.db2.gz YOZPGLHAQRXTBU-DOTOQJQBSA-N 0 3 366.937 2.073 20 10 FECDHN CNS(=O)(=O)C[C@@H]1CCCN1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754738375 680374210 /nfs/dbraw/zinc/37/42/10/680374210.db2.gz AEBNHTYBEIRZJE-AWEZNQCLSA-N 0 3 370.515 2.212 20 10 FECDHN CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1[O-] ZINC000843377165 681000585 /nfs/dbraw/zinc/00/05/85/681000585.db2.gz QANVTEKGERYFLV-OAHLLOKOSA-N 0 3 367.877 2.068 20 10 FECDHN CC(C)Nc1nc(NCCO)nc(NCc2cc(Cl)ccc2O)n1 ZINC000845709746 681147378 /nfs/dbraw/zinc/14/73/78/681147378.db2.gz WNCNJADBHRJOCF-UHFFFAOYSA-N 0 3 352.826 2.067 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c1[O-] ZINC000848552109 681576157 /nfs/dbraw/zinc/57/61/57/681576157.db2.gz HETPSYVIAKGIFQ-RFAUZJTJSA-N 0 3 357.248 2.483 20 10 FECDHN COc1cc(Br)cc([C@H](C)NCC(=O)NCC(F)F)c1O ZINC000848549540 681576261 /nfs/dbraw/zinc/57/62/61/681576261.db2.gz QTWCMUWGQMPPCA-ZETCQYMHSA-N 0 3 367.190 2.195 20 10 FECDHN C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1[O-] ZINC000783508611 682148242 /nfs/dbraw/zinc/14/82/42/682148242.db2.gz FVTCKNVLHPVXCI-HNNXBMFYSA-N 0 3 360.479 2.478 20 10 FECDHN COCCN(Cc1cc(Br)cc(OC)c1O)[C@H]1CCOC1 ZINC000787336144 682451362 /nfs/dbraw/zinc/45/13/62/682451362.db2.gz ZJWYCVSYGBIXFI-ZDUSSCGKSA-N 0 3 360.248 2.401 20 10 FECDHN O=C(NCCCSc1nccs1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000853857395 682479978 /nfs/dbraw/zinc/47/99/78/682479978.db2.gz BAFUBPOJPSTPLI-CQSZACIVSA-N 0 3 370.544 2.178 20 10 FECDHN CN1CCN(C(C)(C)C[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858095885 682934036 /nfs/dbraw/zinc/93/40/36/682934036.db2.gz XYDUSXULRDOEOQ-UHFFFAOYSA-N 0 3 356.308 2.270 20 10 FECDHN C[C@@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)NC(=O)OC(C)(C)C ZINC000863333011 683707089 /nfs/dbraw/zinc/70/70/89/683707089.db2.gz NEUXBPYBGGSOMI-NHYWBVRUSA-N 0 3 352.431 2.163 20 10 FECDHN C[C@@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)NC(=O)OC(C)(C)C ZINC000863333011 683707094 /nfs/dbraw/zinc/70/70/94/683707094.db2.gz NEUXBPYBGGSOMI-NHYWBVRUSA-N 0 3 352.431 2.163 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1[O-] ZINC000865656268 684010918 /nfs/dbraw/zinc/01/09/18/684010918.db2.gz SXJMJJGRYJEKGP-ZDUSSCGKSA-N 0 3 373.291 2.098 20 10 FECDHN C[C@@H]([NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1[O-] ZINC000931553314 684301932 /nfs/dbraw/zinc/30/19/32/684301932.db2.gz BKUADNSIGKQSIV-CZUORRHYSA-N 0 3 370.515 2.044 20 10 FECDHN COc1ccc2ccc(O)c(CN3CC[C@H]4CS(=O)(=O)C[C@H]4C3)c2c1 ZINC000872797200 685016980 /nfs/dbraw/zinc/01/69/80/685016980.db2.gz XLUIBCFARKGKMP-LSDHHAIUSA-N 0 3 361.463 2.421 20 10 FECDHN C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000879653001 686879601 /nfs/dbraw/zinc/87/96/01/686879601.db2.gz JRGWSXZMPJBLMA-AWEZNQCLSA-N 0 3 364.467 2.372 20 10 FECDHN COC(=O)[C@@H]1[C@@H](CN(Cc2ccccc2O)C[C@@H]2CCCO2)C1(F)F ZINC000893879795 689422563 /nfs/dbraw/zinc/42/25/63/689422563.db2.gz JKGFMNOHPDZXPP-LZWOXQAQSA-N 0 3 355.381 2.428 20 10 FECDHN CC(C)OCCONC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895002037 689637743 /nfs/dbraw/zinc/63/77/43/689637743.db2.gz BMGLXLCMPMNKAA-QGZVFWFLSA-N 0 3 352.479 2.011 20 10 FECDHN C[C@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)N(C)C1CC1 ZINC000105162974 543162441 /nfs/dbraw/zinc/16/24/41/543162441.db2.gz GGMNXVXOVVRHSB-MRXNPFEDSA-N 0 3 374.529 2.177 20 10 FECDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000115808137 543587547 /nfs/dbraw/zinc/58/75/47/543587547.db2.gz JWWOOXDATRJLAX-SFHVURJKSA-N 0 3 360.502 2.006 20 10 FECDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000121152716 543690381 /nfs/dbraw/zinc/69/03/81/543690381.db2.gz PAIFARKDSXDWPD-NSSMGOSVSA-N 0 3 357.498 2.335 20 10 FECDHN CN(C)CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000133783070 544283401 /nfs/dbraw/zinc/28/34/01/544283401.db2.gz OSTHLHAEQABQGO-ZDUSSCGKSA-N 0 3 356.417 2.118 20 10 FECDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000156844016 545669422 /nfs/dbraw/zinc/66/94/22/545669422.db2.gz VVJBEAMKLUQYAG-UHFFFAOYSA-N 0 3 368.529 2.317 20 10 FECDHN Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)c(C)n1-c1ccccn1 ZINC000160616950 546057221 /nfs/dbraw/zinc/05/72/21/546057221.db2.gz PKUVWIAZAUYSMI-QGZVFWFLSA-N 0 3 356.470 2.066 20 10 FECDHN CCN(C)c1ccc([C@H](C)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000160967177 546089381 /nfs/dbraw/zinc/08/93/81/546089381.db2.gz LOYIYRYIIBKYBA-HNNXBMFYSA-N 0 3 368.481 2.209 20 10 FECDHN COc1cc(O)c(CN2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1OC ZINC000180727831 547168266 /nfs/dbraw/zinc/16/82/66/547168266.db2.gz VSFXBVPPKJFIKL-FZKQIMNGSA-N 0 3 361.442 2.089 20 10 FECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1OC ZINC000180727831 547168271 /nfs/dbraw/zinc/16/82/71/547168271.db2.gz VSFXBVPPKJFIKL-FZKQIMNGSA-N 0 3 361.442 2.089 20 10 FECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1OC ZINC000180727831 547168275 /nfs/dbraw/zinc/16/82/75/547168275.db2.gz VSFXBVPPKJFIKL-FZKQIMNGSA-N 0 3 361.442 2.089 20 10 FECDHN Cc1cc(Cl)cc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1[O-] ZINC000182631242 547524401 /nfs/dbraw/zinc/52/44/01/547524401.db2.gz FUYWIEAEZSASGV-UHFFFAOYSA-N 0 3 358.891 2.400 20 10 FECDHN CC(C)N1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000264547070 549997865 /nfs/dbraw/zinc/99/78/65/549997865.db2.gz KCSWQLPQAYMSSS-RMKNXTFCSA-N 0 3 357.498 2.479 20 10 FECDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000273484158 550500013 /nfs/dbraw/zinc/50/00/13/550500013.db2.gz RATPDDVKURAOBN-QGZVFWFLSA-N 0 3 374.529 2.395 20 10 FECDHN COc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000282927084 551286087 /nfs/dbraw/zinc/28/60/87/551286087.db2.gz FPGOHXKLACRESW-INIZCTEOSA-N 0 3 356.422 2.170 20 10 FECDHN Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCc3cccc([O-])c32)s1 ZINC000296826663 553216910 /nfs/dbraw/zinc/21/69/10/553216910.db2.gz MLADWOGIFSWWFN-ZDUSSCGKSA-N 0 3 352.481 2.318 20 10 FECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000297924865 553358083 /nfs/dbraw/zinc/35/80/83/553358083.db2.gz UHOXHZADGTURAZ-UHFFFAOYSA-N 0 3 374.529 2.044 20 10 FECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCN(C)CCOC ZINC000298682819 553458389 /nfs/dbraw/zinc/45/83/89/553458389.db2.gz LPFZFYHFKCUFMU-UHFFFAOYSA-N 0 3 350.507 2.252 20 10 FECDHN CCOc1cccc(CN2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c1O ZINC000372037131 557363163 /nfs/dbraw/zinc/36/31/63/557363163.db2.gz KMEPXGJOHOYEKW-AWEZNQCLSA-N 0 3 360.414 2.006 20 10 FECDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2nc[nH]n2)C1 ZINC000518680398 562116281 /nfs/dbraw/zinc/11/62/81/562116281.db2.gz WLZKZAWYRCURLO-AWEZNQCLSA-N 0 3 366.469 2.403 20 10 FECDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2nnc[nH]2)C1 ZINC000518680398 562116282 /nfs/dbraw/zinc/11/62/82/562116282.db2.gz WLZKZAWYRCURLO-AWEZNQCLSA-N 0 3 366.469 2.403 20 10 FECDHN Cc1nccc(CN2CCC[C@@H](NCc3ccc4c(c3)CCN4C)C2=O)n1 ZINC000373372190 557681275 /nfs/dbraw/zinc/68/12/75/557681275.db2.gz ZYXCNRYCMJHHIK-LJQANCHMSA-N 0 3 365.481 2.058 20 10 FECDHN C[C@H](NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(N2CCOCC2)cc1 ZINC000374502037 557892032 /nfs/dbraw/zinc/89/20/32/557892032.db2.gz IGOZPSNINZDUFR-DZFGPLHGSA-N 0 3 359.514 2.427 20 10 FECDHN CCOc1cccc(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000809783858 674509945 /nfs/dbraw/zinc/50/99/45/674509945.db2.gz FUFYXBYAZVLHBP-AWEZNQCLSA-N 0 3 368.499 2.085 20 10 FECDHN c1sc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1-c1nnn[n-]1 ZINC000823756755 606213608 /nfs/dbraw/zinc/21/36/08/606213608.db2.gz GZANRLAHRYIVOZ-UHFFFAOYSA-N 0 3 356.455 2.055 20 10 FECDHN c1csc(SCCC[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)n1 ZINC000823815597 606474531 /nfs/dbraw/zinc/47/45/31/606474531.db2.gz GAOAJFDPHZDWFK-UHFFFAOYSA-N 0 3 372.483 2.243 20 10 FECDHN c1csc(SCCC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)n1 ZINC000823815597 606474532 /nfs/dbraw/zinc/47/45/32/606474532.db2.gz GAOAJFDPHZDWFK-UHFFFAOYSA-N 0 3 372.483 2.243 20 10 FECDHN COCC1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCOCC1 ZINC000814302700 674831229 /nfs/dbraw/zinc/83/12/29/674831229.db2.gz ZIDFFOJNUNNCAA-UHFFFAOYSA-N 0 3 360.248 2.449 20 10 FECDHN CCN(C)c1ccc(CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000815116258 674920805 /nfs/dbraw/zinc/92/08/05/674920805.db2.gz GQVFHDDJMBWLIS-KRWDZBQOSA-N 0 3 353.532 2.246 20 10 FECDHN [O-]c1ccc(Br)cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827699586 675773630 /nfs/dbraw/zinc/77/36/30/675773630.db2.gz JIYVMUCXGYKIPN-HNNXBMFYSA-N 0 3 355.276 2.186 20 10 FECDHN [O-]c1ccc(Br)cc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000827699586 675773633 /nfs/dbraw/zinc/77/36/33/675773633.db2.gz JIYVMUCXGYKIPN-HNNXBMFYSA-N 0 3 355.276 2.186 20 10 FECDHN NC(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)(F)F ZINC000828359590 675815338 /nfs/dbraw/zinc/81/53/38/675815338.db2.gz ZDIJPWAQESXYJN-GFCCVEGCSA-N 0 3 367.318 2.263 20 10 FECDHN COCCS(=O)(=O)c1ccc(CNCc2cc(OC)ccc2O)cc1 ZINC000763404028 680782251 /nfs/dbraw/zinc/78/22/51/680782251.db2.gz NOEWSAFIBRPXCP-UHFFFAOYSA-N 0 3 365.451 2.111 20 10 FECDHN COC[C@](C)(CCO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000749923285 680086926 /nfs/dbraw/zinc/08/69/26/680086926.db2.gz TXWMDCLHXUUMMF-SFHVURJKSA-N 0 3 351.447 2.462 20 10 FECDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCCSc1nccs1 ZINC000759601113 680658119 /nfs/dbraw/zinc/65/81/19/680658119.db2.gz GZXZPNWKUGNLGZ-CQSZACIVSA-N 0 3 372.560 2.378 20 10 FECDHN CCC[C@@H](O)[C@@H](CO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000842225082 680933575 /nfs/dbraw/zinc/93/35/75/680933575.db2.gz HDMGRGYGAWYTIJ-CRAIPNDOSA-N 0 3 351.447 2.197 20 10 FECDHN O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000775396394 681303971 /nfs/dbraw/zinc/30/39/71/681303971.db2.gz SXHBYKNCJGIILJ-HZPDHXFCSA-N 0 3 372.918 2.177 20 10 FECDHN Cc1cc(Br)cc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000775676548 681323749 /nfs/dbraw/zinc/32/37/49/681323749.db2.gz TWQHFXADVCYTIV-HZPDHXFCSA-N 0 3 369.303 2.494 20 10 FECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(OCCO)CCOC2)c1[O-] ZINC000850510984 681910410 /nfs/dbraw/zinc/91/04/10/681910410.db2.gz ZANMREMSZGYFLB-BLLLJJGKSA-N 0 3 374.275 2.282 20 10 FECDHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850566192 681917333 /nfs/dbraw/zinc/91/73/33/681917333.db2.gz LMHNLAAUHSDGFB-RBUKOAKNSA-N 0 3 366.527 2.093 20 10 FECDHN Nc1c(Cl)cc(N2C(=O)N[C@H](CN3CCCCC3)C2=O)cc1Cl ZINC000927217457 683221310 /nfs/dbraw/zinc/22/13/10/683221310.db2.gz WOESYLADKARQQO-GFCCVEGCSA-N 0 3 357.241 2.486 20 10 FECDHN CCN1CCC[C@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])C1=O ZINC000922641183 683760542 /nfs/dbraw/zinc/76/05/42/683760542.db2.gz ZNQCPCHHIURIAT-LBPRGKRZSA-N 0 3 357.248 2.264 20 10 FECDHN O=C1N[C@@H](CN2CCCCC2)C(=O)N1CCCSc1nccs1 ZINC000924642361 684476593 /nfs/dbraw/zinc/47/65/93/684476593.db2.gz ZNXMOLAUWOOTBP-LBPRGKRZSA-N 0 3 354.501 2.032 20 10 FECDHN COC(=O)[C@@H]1[C@H](CN(C)Cc2ccc(N3CCOCC3)cc2)C1(F)F ZINC000893910908 689427344 /nfs/dbraw/zinc/42/73/44/689427344.db2.gz QDAGRRJTPATOMD-HOTGVXAUSA-N 0 3 354.397 2.009 20 10 FECDHN COC(=O)[C@@H]1[C@@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2)C1(F)F ZINC000894208798 689486936 /nfs/dbraw/zinc/48/69/36/689486936.db2.gz LNSJKAUMTBNFKD-WQVCFCJDSA-N 0 3 354.397 2.228 20 10 FECDHN COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1[O-] ZINC000897624083 690051740 /nfs/dbraw/zinc/05/17/40/690051740.db2.gz SHNGSDOIPHEYMR-ZBEGNZNMSA-N 0 3 369.259 2.251 20 10 FECDHN COc1cc(Br)cc(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1[O-] ZINC000897624083 690051743 /nfs/dbraw/zinc/05/17/43/690051743.db2.gz SHNGSDOIPHEYMR-ZBEGNZNMSA-N 0 3 369.259 2.251 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)C(C)(C)O)N(C)C)cc1 ZINC000899098873 690303853 /nfs/dbraw/zinc/30/38/53/690303853.db2.gz UGTSDCILQACNNR-MRXNPFEDSA-N 0 3 350.507 2.204 20 10 FECDHN CC[C@H](C[C@@H](C)O)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099155 690303875 /nfs/dbraw/zinc/30/38/75/690303875.db2.gz WFCDHUCKLNDSFE-KYJSFNMBSA-N 0 3 350.507 2.204 20 10 FECDHN CC(C)[C@](C)(CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100919 690304441 /nfs/dbraw/zinc/30/44/41/690304441.db2.gz CZVJKYRCKUSUIX-MJGOQNOKSA-N 0 3 350.507 2.062 20 10 FECDHN CC[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)O ZINC000899103893 690304986 /nfs/dbraw/zinc/30/49/86/690304986.db2.gz OUXHBBAFDGTCCG-DLBZAZTESA-N 0 3 350.507 2.204 20 10 FECDHN COc1cc(Br)cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c1[O-] ZINC000825130487 675638320 /nfs/dbraw/zinc/63/83/20/675638320.db2.gz YWBYGDXRJCEXIK-MFKMUULPSA-N 0 3 360.248 2.135 20 10 FECDHN COc1cc(Br)cc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c1[O-] ZINC000825130487 675638322 /nfs/dbraw/zinc/63/83/22/675638322.db2.gz YWBYGDXRJCEXIK-MFKMUULPSA-N 0 3 360.248 2.135 20 10 FECDHN Cc1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000105321063 543170909 /nfs/dbraw/zinc/17/09/09/543170909.db2.gz WLZRSCNDFFCWTL-MRXNPFEDSA-N 0 3 369.513 2.102 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](N3CCCCC3)C2)cc1 ZINC000108377802 543288269 /nfs/dbraw/zinc/28/82/69/543288269.db2.gz PCXTURHZHUMDMI-HXUWFJFHSA-N 0 3 358.530 2.319 20 10 FECDHN C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCN1C ZINC000124585771 543831274 /nfs/dbraw/zinc/83/12/74/543831274.db2.gz LOZMJZCDJZSVCA-JWLNDWNSSA-N 0 3 357.498 2.478 20 10 FECDHN NC(=O)c1cc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)ccn1 ZINC000132983466 544251319 /nfs/dbraw/zinc/25/13/19/544251319.db2.gz NATUMDBUUUOOQV-UHFFFAOYSA-N 0 3 365.481 2.325 20 10 FECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1OC ZINC000180070758 547047830 /nfs/dbraw/zinc/04/78/30/547047830.db2.gz VBMNGOPJGSURRH-ZDUSSCGKSA-N 0 3 358.442 2.327 20 10 FECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1OC ZINC000180070758 547047833 /nfs/dbraw/zinc/04/78/33/547047833.db2.gz VBMNGOPJGSURRH-ZDUSSCGKSA-N 0 3 358.442 2.327 20 10 FECDHN COc1cc(O)c(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1OC ZINC000180070758 547047835 /nfs/dbraw/zinc/04/78/35/547047835.db2.gz VBMNGOPJGSURRH-ZDUSSCGKSA-N 0 3 358.442 2.327 20 10 FECDHN Cc1cccc(N2CCN(CCC(=O)NCc3ccc(O)c(O)c3)CC2)c1 ZINC000182543696 547510604 /nfs/dbraw/zinc/51/06/04/547510604.db2.gz QUXUDTPDDYXDDQ-UHFFFAOYSA-N 0 3 369.465 2.235 20 10 FECDHN Nc1ccc(CC(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000262668101 549837032 /nfs/dbraw/zinc/83/70/32/549837032.db2.gz LNCGQDWPMJXEBB-OAQYLSRUSA-N 0 3 367.493 2.373 20 10 FECDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000265849417 550014909 /nfs/dbraw/zinc/01/49/09/550014909.db2.gz HXGBSUNIMAXKGV-HZPDHXFCSA-N 0 3 370.490 2.108 20 10 FECDHN NS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271177825 550348696 /nfs/dbraw/zinc/34/86/96/550348696.db2.gz LAXWLEJRBHRWCU-QGZVFWFLSA-N 0 3 351.516 2.177 20 10 FECDHN CNS(=O)(=O)c1cccc(CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000273391893 550496585 /nfs/dbraw/zinc/49/65/85/550496585.db2.gz KWJIKDDLJHGSPL-GFCCVEGCSA-N 0 3 350.440 2.160 20 10 FECDHN CCN(CC)c1ccc(CN2C[C@H](OCCOC)C[C@H](CO)C2)cc1 ZINC000278748129 550818028 /nfs/dbraw/zinc/81/80/28/550818028.db2.gz RWCBKLOZIXHUGZ-AZUAARDMSA-N 0 3 350.503 2.379 20 10 FECDHN CCCCN(CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1O ZINC000282550887 551245435 /nfs/dbraw/zinc/24/54/35/551245435.db2.gz XFLPTFDVPCIPSO-UHFFFAOYSA-N 0 3 362.470 2.360 20 10 FECDHN COc1cc(N2CCN(C[C@@H](O)C(C)(C)C)CC2)cc(OC)c1OC ZINC000289987274 552409932 /nfs/dbraw/zinc/40/99/32/552409932.db2.gz QZSMRSNOPLXOHC-QGZVFWFLSA-N 0 3 352.475 2.241 20 10 FECDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1CCCO1 ZINC000293013105 552780412 /nfs/dbraw/zinc/78/04/12/552780412.db2.gz UPMXMQBXOURLDM-CABCVRRESA-N 0 3 363.376 2.313 20 10 FECDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1CCCO1 ZINC000293013105 552780413 /nfs/dbraw/zinc/78/04/13/552780413.db2.gz UPMXMQBXOURLDM-CABCVRRESA-N 0 3 363.376 2.313 20 10 FECDHN C[C@@H](CO)[C@@H](C)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000295711419 553048198 /nfs/dbraw/zinc/04/81/98/553048198.db2.gz KEKMUHABXRNYPE-QWHCGFSZSA-N 0 3 366.417 2.007 20 10 FECDHN Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2ccc3c(c2)CCO3)CC(=O)N1C ZINC000328621890 553797459 /nfs/dbraw/zinc/79/74/59/553797459.db2.gz IAVBWAXJNNWWMT-OXQOHEQNSA-N 0 3 354.454 2.033 20 10 FECDHN COc1ccc(O)c([C@H](C)N[C@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1 ZINC000363892880 555208419 /nfs/dbraw/zinc/20/84/19/555208419.db2.gz DFERIYDFOMGFGZ-UGSOOPFHSA-N 0 3 370.453 2.341 20 10 FECDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000368038056 556200886 /nfs/dbraw/zinc/20/08/86/556200886.db2.gz BRUKNIHJFAJEHM-QGZVFWFLSA-N 0 3 352.500 2.038 20 10 FECDHN COc1ccc(O)c([C@H](C)N2CCC[C@@H]2C(=O)NCC2CCOCC2)c1 ZINC000368052287 556204931 /nfs/dbraw/zinc/20/49/31/556204931.db2.gz VCGVSSDOEYVKOF-KBXCAEBGSA-N 0 3 362.470 2.469 20 10 FECDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cnn(C)c2)cc1OC ZINC000368405414 556298450 /nfs/dbraw/zinc/29/84/50/556298450.db2.gz YPORTJJWGUCAFB-XOBRGWDASA-N 0 3 374.485 2.316 20 10 FECDHN C[C@H](N[C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000374514288 557893580 /nfs/dbraw/zinc/89/35/80/557893580.db2.gz NUHURSUIXOUVNZ-FNHZYXHNSA-N 0 3 361.461 2.466 20 10 FECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1OC ZINC000375407038 558022185 /nfs/dbraw/zinc/02/21/85/558022185.db2.gz VUVZHCALPPMZOJ-KHYOSLBOSA-N 0 3 351.443 2.161 20 10 FECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1OC ZINC000375407038 558022186 /nfs/dbraw/zinc/02/21/86/558022186.db2.gz VUVZHCALPPMZOJ-KHYOSLBOSA-N 0 3 351.443 2.161 20 10 FECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 ZINC000378450688 558560351 /nfs/dbraw/zinc/56/03/51/558560351.db2.gz CLHJBLUVMCKIJS-OAHLLOKOSA-N 0 3 358.442 2.415 20 10 FECDHN COc1cccc(O)c1CNCc1cccc(N2CCCS2(=O)=O)c1 ZINC000764978365 680826211 /nfs/dbraw/zinc/82/62/11/680826211.db2.gz XFOCJBKDEIIOOG-UHFFFAOYSA-N 0 3 362.451 2.231 20 10 FECDHN CCS(=O)(=O)N1CCC([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756399402 680476309 /nfs/dbraw/zinc/47/63/09/680476309.db2.gz NZKHXAGUMIACSM-RISCZKNCSA-N 0 3 356.463 2.483 20 10 FECDHN COc1cc(N2CCN(CC3(O)CCCC3)CC2)cc(OC)c1OC ZINC000759873249 680670732 /nfs/dbraw/zinc/67/07/32/680670732.db2.gz STPJPJNHACXONB-UHFFFAOYSA-N 0 3 350.459 2.140 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CCCc2ncn(C)n2)c1[O-] ZINC000842738029 680963292 /nfs/dbraw/zinc/96/32/92/680963292.db2.gz YNTPCQSFIHOCHR-UHFFFAOYSA-N 0 3 355.236 2.014 20 10 FECDHN Cc1cc(S(=O)(=O)[N-]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c(F)cc1F ZINC000842784254 680966132 /nfs/dbraw/zinc/96/61/32/680966132.db2.gz HWEFMRJQDRJLLZ-INIZCTEOSA-N 0 3 369.437 2.318 20 10 FECDHN C[C@@H](NCC(=O)NC(=O)NCc1cccs1)c1ccc(N(C)C)cc1 ZINC000775832960 681340144 /nfs/dbraw/zinc/34/01/44/681340144.db2.gz DEESIHBCUCDUMB-CYBMUJFWSA-N 0 3 360.483 2.491 20 10 FECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])[C@@H]1OC ZINC000775978418 681354412 /nfs/dbraw/zinc/35/44/12/681354412.db2.gz LJIIEADLGKFJES-KYOSRNDESA-N 0 3 360.248 2.445 20 10 FECDHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850566191 681917492 /nfs/dbraw/zinc/91/74/92/681917492.db2.gz LMHNLAAUHSDGFB-OALUTQOASA-N 0 3 366.527 2.093 20 10 FECDHN COCC(=O)NC1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000917457399 685532351 /nfs/dbraw/zinc/53/23/51/685532351.db2.gz PJLSRAVHNVFJBQ-UHFFFAOYSA-N 0 3 350.459 2.122 20 10 FECDHN C[C@@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000797070808 683220334 /nfs/dbraw/zinc/22/03/34/683220334.db2.gz SRRPKDXSRIMKGH-ZIAGYGMSSA-N 0 3 370.490 2.279 20 10 FECDHN CC(C)OCC[NH+]1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000921241692 683410030 /nfs/dbraw/zinc/41/00/30/683410030.db2.gz FUIQBXIMXIYAJM-UHFFFAOYSA-N 0 3 353.438 2.220 20 10 FECDHN [O-]c1cccc(Br)c1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000862418308 683588353 /nfs/dbraw/zinc/58/83/53/683588353.db2.gz MQKZULLGCBSWLP-ZDUSSCGKSA-N 0 3 355.276 2.186 20 10 FECDHN [O-]c1cccc(Br)c1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000862418308 683588358 /nfs/dbraw/zinc/58/83/58/683588358.db2.gz MQKZULLGCBSWLP-ZDUSSCGKSA-N 0 3 355.276 2.186 20 10 FECDHN C[C@H]([NH2+]C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1[O-] ZINC000931553315 684302283 /nfs/dbraw/zinc/30/22/83/684302283.db2.gz BKUADNSIGKQSIV-XJKSGUPXSA-N 0 3 370.515 2.044 20 10 FECDHN C[C@@H](O)c1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891248904 689040071 /nfs/dbraw/zinc/04/00/71/689040071.db2.gz OLCZGEMEKOCOJF-IUODEOHRSA-N 0 3 362.499 2.295 20 10 FECDHN COC(=O)[C@H]1[C@H](CNCc2ccc(N3CCSCC3)cc2)C1(F)F ZINC000894191964 689483835 /nfs/dbraw/zinc/48/38/35/689483835.db2.gz SYKIMPYQHOJNCO-LSDHHAIUSA-N 0 3 356.438 2.384 20 10 FECDHN Cc1cc(Br)cc(C[NH2+]Cc2cnc3n2CCOC3)c1[O-] ZINC000898269943 690152214 /nfs/dbraw/zinc/15/22/14/690152214.db2.gz DHWFJLVCRBFOCW-UHFFFAOYSA-N 0 3 352.232 2.480 20 10 FECDHN Cc1cc(Br)cc(CNCc2cnc3n2CCOC3)c1O ZINC000898269943 690152218 /nfs/dbraw/zinc/15/22/18/690152218.db2.gz DHWFJLVCRBFOCW-UHFFFAOYSA-N 0 3 352.232 2.480 20 10 FECDHN C[C@H](CC(C)(C)O)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099252 690303886 /nfs/dbraw/zinc/30/38/86/690303886.db2.gz XOVXKNQOFGINMA-RHSMWYFYSA-N 0 3 350.507 2.204 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)NCC(C)(C)CCO)N(C)C)cc1 ZINC000899100508 690304483 /nfs/dbraw/zinc/30/44/83/690304483.db2.gz AJVAIQSBDLBAJG-QGZVFWFLSA-N 0 3 350.507 2.063 20 10 FECDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)COc1ccccc1 ZINC000073021413 541909649 /nfs/dbraw/zinc/90/96/49/541909649.db2.gz BOQWRDMJHLYTGE-HXUWFJFHSA-N 0 3 356.466 2.395 20 10 FECDHN C[N@H+](CCCO)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093394586 542930476 /nfs/dbraw/zinc/93/04/76/542930476.db2.gz VNSKSKSKBUNMTL-UHFFFAOYSA-N 0 3 357.292 2.433 20 10 FECDHN C[N@@H+](CCCO)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093394586 542930481 /nfs/dbraw/zinc/93/04/81/542930481.db2.gz VNSKSKSKBUNMTL-UHFFFAOYSA-N 0 3 357.292 2.433 20 10 FECDHN C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000114750588 543534940 /nfs/dbraw/zinc/53/49/40/543534940.db2.gz YLLLQIHNPVWQNC-XJKSGUPXSA-N 0 3 371.403 2.337 20 10 FECDHN Cc1cccc(CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1O ZINC000179646968 546991874 /nfs/dbraw/zinc/99/18/74/546991874.db2.gz RMOIHJBHFNYWNJ-UHFFFAOYSA-N 0 3 364.449 2.255 20 10 FECDHN CCCOc1ccc(CN2CCC(NS(=O)(=O)CCC)CC2)c(O)c1 ZINC000180020893 547039701 /nfs/dbraw/zinc/03/97/01/547039701.db2.gz OVOVUQONXVPAPO-UHFFFAOYSA-N 0 3 370.515 2.475 20 10 FECDHN O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000184430227 547825015 /nfs/dbraw/zinc/82/50/15/547825015.db2.gz PEKWCYZWKHPZHR-UHFFFAOYSA-N 0 3 350.415 2.361 20 10 FECDHN O=C([C@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2)N1CCOCC1 ZINC000185168471 547944815 /nfs/dbraw/zinc/94/48/15/547944815.db2.gz ZEJKPLMGMOAWJR-FQEVSTJZSA-N 0 3 366.461 2.181 20 10 FECDHN C[C@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1cc(F)ccc1[O-] ZINC000185339879 547973178 /nfs/dbraw/zinc/97/31/78/547973178.db2.gz DUCLOWDPKZKGBH-ZDUSSCGKSA-N 0 3 372.444 2.479 20 10 FECDHN C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])N1CCN(C)CC1 ZINC000185365862 547975804 /nfs/dbraw/zinc/97/58/04/547975804.db2.gz AXCGPUFSFVHBEK-OLZOCXBDSA-N 0 3 356.308 2.441 20 10 FECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000186396587 548130234 /nfs/dbraw/zinc/13/02/34/548130234.db2.gz YSZZILXIIUKFSE-OAHLLOKOSA-N 0 3 362.470 2.180 20 10 FECDHN COc1ccc(N2CCN(C(=O)C3CCN(C4CC4)CC3)CC2)cc1F ZINC000194735064 548523451 /nfs/dbraw/zinc/52/34/51/548523451.db2.gz JWVPWZTUZQRKKL-UHFFFAOYSA-N 0 3 361.461 2.357 20 10 FECDHN CCN1CCN(c2ccc(CNc3ncnc4[nH]cnc43)cc2F)CC1 ZINC000264436989 549996033 /nfs/dbraw/zinc/99/60/33/549996033.db2.gz VXQMNQPFKXYHIQ-UHFFFAOYSA-N 0 3 355.421 2.246 20 10 FECDHN CN(C)c1ccc(CNC(=O)NC[C@@]2(N(C)C)CCSC2)cc1F ZINC000267173348 550028243 /nfs/dbraw/zinc/02/82/43/550028243.db2.gz LLUNWKVCBOEVQJ-KRWDZBQOSA-N 0 3 354.495 2.128 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000271855313 550406144 /nfs/dbraw/zinc/40/61/44/550406144.db2.gz SDIOZJVDOUFDHX-CHWSQXEVSA-N 0 3 361.394 2.220 20 10 FECDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c([O-])c1 ZINC000271989457 550414997 /nfs/dbraw/zinc/41/49/97/550414997.db2.gz KZCBYROVYQHRAP-YJBOKZPZSA-N 0 3 369.483 2.007 20 10 FECDHN CCCOc1ccc(C[N@@H+]2C[C@H](CO)C[C@@H](OCCOC)C2)c([O-])c1 ZINC000278748023 550817459 /nfs/dbraw/zinc/81/74/59/550817459.db2.gz RTKHSRJYAMFCKF-CRAIPNDOSA-N 0 3 353.459 2.027 20 10 FECDHN CCCOc1ccc(C[N@H+]2C[C@H](CO)C[C@@H](OCCOC)C2)c([O-])c1 ZINC000278748023 550817460 /nfs/dbraw/zinc/81/74/60/550817460.db2.gz RTKHSRJYAMFCKF-CRAIPNDOSA-N 0 3 353.459 2.027 20 10 FECDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286569076 551901045 /nfs/dbraw/zinc/90/10/45/551901045.db2.gz PNWSAZCRQZQITH-CVVMMBEDSA-N 0 3 357.498 2.066 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c([O-])c1 ZINC000289947855 552403995 /nfs/dbraw/zinc/40/39/95/552403995.db2.gz YPAUSVZNYCPWLC-LIRRHRJNSA-N 0 3 361.442 2.134 20 10 FECDHN CCCOc1ccc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c([O-])c1 ZINC000289947855 552403998 /nfs/dbraw/zinc/40/39/98/552403998.db2.gz YPAUSVZNYCPWLC-LIRRHRJNSA-N 0 3 361.442 2.134 20 10 FECDHN COc1cc([O-])c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1OC ZINC000294696926 552927669 /nfs/dbraw/zinc/92/76/69/552927669.db2.gz CQMJAMOKNBRAGS-UONOGXRCSA-N 0 3 356.422 2.190 20 10 FECDHN COc1cc([O-])c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1OC ZINC000294696926 552927670 /nfs/dbraw/zinc/92/76/70/552927670.db2.gz CQMJAMOKNBRAGS-UONOGXRCSA-N 0 3 356.422 2.190 20 10 FECDHN C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN(C2CC2)C1 ZINC000296706370 553200696 /nfs/dbraw/zinc/20/06/96/553200696.db2.gz LKXLLHIRJXQQPI-QGZVFWFLSA-N 0 3 358.530 2.127 20 10 FECDHN CCOc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1[O-] ZINC000370829693 556981770 /nfs/dbraw/zinc/98/17/70/556981770.db2.gz IFHUBHVNUQGWMO-OAHLLOKOSA-N 0 3 355.438 2.258 20 10 FECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1OC ZINC000375407039 558022167 /nfs/dbraw/zinc/02/21/67/558022167.db2.gz VUVZHCALPPMZOJ-QMTMVMCOSA-N 0 3 351.443 2.161 20 10 FECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1OC ZINC000375407039 558022168 /nfs/dbraw/zinc/02/21/68/558022168.db2.gz VUVZHCALPPMZOJ-QMTMVMCOSA-N 0 3 351.443 2.161 20 10 FECDHN O=C(N1CCCC1)N1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000375751712 558077162 /nfs/dbraw/zinc/07/71/62/558077162.db2.gz VTPTXHHMQZJRRS-IBGZPJMESA-N 0 3 372.513 2.293 20 10 FECDHN CCN(C)CCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000444237432 560106581 /nfs/dbraw/zinc/10/65/81/560106581.db2.gz JXDGONNZSSNUAS-UHFFFAOYSA-N 0 3 356.514 2.476 20 10 FECDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)CCN(C)C)C1 ZINC000444263561 560107169 /nfs/dbraw/zinc/10/71/69/560107169.db2.gz GWJOJYUNKNNANX-UHFFFAOYSA-N 0 3 356.514 2.428 20 10 FECDHN CCCS(=O)(=O)NC1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000054514220 670337839 /nfs/dbraw/zinc/33/78/39/670337839.db2.gz DDEXSHFKPQSQEH-UHFFFAOYSA-N 0 3 352.500 2.175 20 10 FECDHN COc1cc(Br)cc(CN2C[C@@H](C(N)=O)CC[C@H]2C)c1O ZINC000159533873 672283090 /nfs/dbraw/zinc/28/30/90/672283090.db2.gz PUTMESBZBLWACS-ZJUUUORDSA-N 0 3 357.248 2.249 20 10 FECDHN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000734269579 673458367 /nfs/dbraw/zinc/45/83/67/673458367.db2.gz GPVNSFULUYUBJH-MRXNPFEDSA-N 0 3 360.527 2.276 20 10 FECDHN C[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])CN1CCN(C)CC1 ZINC000825247743 675643389 /nfs/dbraw/zinc/64/33/89/675643389.db2.gz WLWLQPLDBODAEZ-ZDUSSCGKSA-N 0 3 356.308 2.128 20 10 FECDHN C[C@@H](NC[C@]1(C)CCC(=O)N1)c1ccc(N2CCOCC2)cc1Cl ZINC000834910791 680281670 /nfs/dbraw/zinc/28/16/70/680281670.db2.gz ZOUIMSCQSMELOA-ACJLOTCBSA-N 0 3 351.878 2.496 20 10 FECDHN COC(=O)C[C@@]1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCOC1 ZINC000768533151 680949427 /nfs/dbraw/zinc/94/94/27/680949427.db2.gz HOZZEBFITKEPRJ-HNNXBMFYSA-N 0 3 358.232 2.275 20 10 FECDHN COCC[C@]1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCOC1 ZINC000775031681 681269512 /nfs/dbraw/zinc/26/95/12/681269512.db2.gz DMMXXJQERGYHEA-HNNXBMFYSA-N 0 3 360.248 2.449 20 10 FECDHN Cc1cc(Br)cc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000775676547 681323628 /nfs/dbraw/zinc/32/36/28/681323628.db2.gz TWQHFXADVCYTIV-HOTGVXAUSA-N 0 3 369.303 2.494 20 10 FECDHN COc1cc(CNCCS(=O)(=O)NC(C)C)c(O)c(C(C)(C)C)c1 ZINC000850119352 681853558 /nfs/dbraw/zinc/85/35/58/681853558.db2.gz NQSLJKSEIOVCKM-UHFFFAOYSA-N 0 3 358.504 2.116 20 10 FECDHN CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCN(C)C1 ZINC000853434710 682413025 /nfs/dbraw/zinc/41/30/25/682413025.db2.gz CQLZPAFFGISJFN-GOSISDBHSA-N 0 3 362.543 2.475 20 10 FECDHN Cc1cc(Br)cc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1O ZINC000793591836 682897825 /nfs/dbraw/zinc/89/78/25/682897825.db2.gz RJIZVHHNHOCNBZ-QWHCGFSZSA-N 0 3 357.292 2.350 20 10 FECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000858280459 682952372 /nfs/dbraw/zinc/95/23/72/682952372.db2.gz SYQCPIZWPLETPB-CYBMUJFWSA-N 0 3 352.431 2.126 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2COCCN2C)c1[O-] ZINC000858522898 682976500 /nfs/dbraw/zinc/97/65/00/682976500.db2.gz KYSUHZGLZGDLIR-ZYHUDNBSSA-N 0 3 359.264 2.145 20 10 FECDHN CC[C@H](CN1CCOCC1)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000922589066 683749721 /nfs/dbraw/zinc/74/97/21/683749721.db2.gz GPPWBLSIZAOWBW-CQSZACIVSA-N 0 3 373.291 2.364 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](O)C23CCOCC3)c1[O-] ZINC000923017572 683819943 /nfs/dbraw/zinc/81/99/43/683819943.db2.gz BOTSKKVHQFHADB-UONOGXRCSA-N 0 3 372.259 2.183 20 10 FECDHN O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000866493265 684111275 /nfs/dbraw/zinc/11/12/75/684111275.db2.gz YVRLMNFDJYDZKR-BZUAXINKSA-N 0 3 350.484 2.362 20 10 FECDHN CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000866579961 684122602 /nfs/dbraw/zinc/12/26/02/684122602.db2.gz VTMCGXMKSZPOPT-LBPRGKRZSA-N 0 3 352.431 2.333 20 10 FECDHN COc1ccc(N2CCN(C[C@H](O)Cn3cc(C)c(Cl)n3)CC2)cc1 ZINC000871984720 684904105 /nfs/dbraw/zinc/90/41/05/684904105.db2.gz FIMOZNMFPLUOHV-INIZCTEOSA-N 0 3 364.877 2.037 20 10 FECDHN CN1CCN(CC[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1(C)C ZINC000883112098 687568274 /nfs/dbraw/zinc/56/82/74/687568274.db2.gz ZUCNYRPKLNFQSJ-UHFFFAOYSA-N 0 3 374.298 2.409 20 10 FECDHN O[C@@H](CNCc1ccc(N2CCOCC2)cc1)C(F)(F)C(F)(F)F ZINC000883366465 687615312 /nfs/dbraw/zinc/61/53/12/687615312.db2.gz UDTNBYFZBKIFAH-ZDUSSCGKSA-N 0 3 354.319 2.171 20 10 FECDHN CO[C@@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(F)(F)F ZINC000891245396 689039602 /nfs/dbraw/zinc/03/96/02/689039602.db2.gz DGSAWONNORTCFK-CABCVRRESA-N 0 3 361.408 2.439 20 10 FECDHN Cc1occc1C(=O)NC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000066795758 541373976 /nfs/dbraw/zinc/37/39/76/541373976.db2.gz DUTANDYZNBZHEM-UHFFFAOYSA-N 0 3 358.394 2.417 20 10 FECDHN C[C@@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(N2CCC(O)CC2)cc1 ZINC000089677716 542768463 /nfs/dbraw/zinc/76/84/63/542768463.db2.gz WWZBSYOLFAPUKQ-IERDGZPVSA-N 0 3 359.514 2.162 20 10 FECDHN C[C@@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000089682350 542769236 /nfs/dbraw/zinc/76/92/36/542769236.db2.gz ZZDLUKFFDHLQLP-QAPCUYQASA-N 0 3 363.477 2.176 20 10 FECDHN CN(C)c1ccc(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1 ZINC000093142098 542912227 /nfs/dbraw/zinc/91/22/27/542912227.db2.gz IWJMSZMRQGTQAL-UHFFFAOYSA-N 0 3 358.530 2.129 20 10 FECDHN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H](N)c1ccccc1 ZINC000165185078 546152068 /nfs/dbraw/zinc/15/20/68/546152068.db2.gz HUUMOEVRHNTBLA-UZLBHIALSA-N 0 3 353.466 2.476 20 10 FECDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000177071053 546539213 /nfs/dbraw/zinc/53/92/13/546539213.db2.gz XZFZZLIGSSMNID-HNXULLEBSA-N 0 3 355.482 2.278 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000186100578 548084079 /nfs/dbraw/zinc/08/40/79/548084079.db2.gz PMCHZAOJFROGMP-GFCCVEGCSA-N 0 3 354.472 2.008 20 10 FECDHN C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(F)ccc1[O-] ZINC000186159048 548092685 /nfs/dbraw/zinc/09/26/85/548092685.db2.gz DJYXXFSLHDNJKV-JQWIXIFHSA-N 0 3 359.444 2.078 20 10 FECDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000237074625 548798186 /nfs/dbraw/zinc/79/81/86/548798186.db2.gz YIYIXFPDJDLHJK-LJQANCHMSA-N 0 3 356.466 2.300 20 10 FECDHN NS(=O)(=O)C[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271177824 550348767 /nfs/dbraw/zinc/34/87/67/550348767.db2.gz LAXWLEJRBHRWCU-KRWDZBQOSA-N 0 3 351.516 2.177 20 10 FECDHN CSCC[C@@H](N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000272491609 550453073 /nfs/dbraw/zinc/45/30/73/550453073.db2.gz TZSDRMWPNFNORZ-IUODEOHRSA-N 0 3 373.469 2.453 20 10 FECDHN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cc3c(cc2O)OCO3)cc1 ZINC000274733883 550551231 /nfs/dbraw/zinc/55/12/31/550551231.db2.gz BLCPCQVFBPXNJO-ZDUSSCGKSA-N 0 3 363.435 2.381 20 10 FECDHN CN(C)c1ccc(CN[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)cc1 ZINC000284492809 551561746 /nfs/dbraw/zinc/56/17/46/551561746.db2.gz JTTAZPVIGQOIHT-WIYYLYMNSA-N 0 3 367.497 2.470 20 10 FECDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000287719934 552038284 /nfs/dbraw/zinc/03/82/84/552038284.db2.gz JWYRCRKZUXKJOJ-UHFFFAOYSA-N 0 3 361.486 2.121 20 10 FECDHN COc1cc([O-])c(C[NH2+]CCn2cc(Br)cn2)cc1OC ZINC000289792046 552379350 /nfs/dbraw/zinc/37/93/50/552379350.db2.gz SBVRCYAWVUUTEV-UHFFFAOYSA-N 0 3 356.220 2.158 20 10 FECDHN COc1ccc(N2CCN(CCCNCc3cn(C(C)C)nn3)CC2)cc1 ZINC000289881307 552393873 /nfs/dbraw/zinc/39/38/73/552393873.db2.gz XDXHDGQIAIZUPT-UHFFFAOYSA-N 0 3 372.517 2.170 20 10 FECDHN COCCOC1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CCOCC1 ZINC000294919846 552944239 /nfs/dbraw/zinc/94/42/39/552944239.db2.gz YPXJSOAMRCFMOH-UHFFFAOYSA-N 0 3 359.850 2.356 20 10 FECDHN C[C@H](NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000296417500 553156675 /nfs/dbraw/zinc/15/66/75/553156675.db2.gz LEIROULWIMUALB-LPHOPBHVSA-N 0 3 366.527 2.267 20 10 FECDHN CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000299469536 553567529 /nfs/dbraw/zinc/56/75/29/553567529.db2.gz UXERASZGKDIGFR-ZDUSSCGKSA-N 0 3 371.503 2.004 20 10 FECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000363702908 555167939 /nfs/dbraw/zinc/16/79/39/555167939.db2.gz DERRUTIHHYUZTQ-OAHLLOKOSA-N 0 3 369.465 2.452 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCN(C3CCOCC3)C[C@H]2C)c1O ZINC000365835976 555679080 /nfs/dbraw/zinc/67/90/80/555679080.db2.gz HNLDTMXOVLYFEW-CYBMUJFWSA-N 0 3 350.434 2.419 20 10 FECDHN CCN(CC)c1ccc(CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 ZINC000371331600 557148907 /nfs/dbraw/zinc/14/89/07/557148907.db2.gz JGEKYWCNTATKMU-FQEVSTJZSA-N 0 3 358.486 2.343 20 10 FECDHN CCOc1ccc(O)c(CN2CCC(NC(=O)c3cc(C)on3)CC2)c1 ZINC000371416484 557179042 /nfs/dbraw/zinc/17/90/42/557179042.db2.gz MRPQIOOTXKFCHE-UHFFFAOYSA-N 0 3 359.426 2.482 20 10 FECDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000372293669 557432033 /nfs/dbraw/zinc/43/20/33/557432033.db2.gz FUQVCWFIRQKDAB-SFHVURJKSA-N 0 3 373.497 2.279 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373254661 557659199 /nfs/dbraw/zinc/65/91/99/557659199.db2.gz FXYMPQJWBMJFFR-UONOGXRCSA-N 0 3 355.438 2.429 20 10 FECDHN CN(C)c1ccc(CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1 ZINC000377305637 558311253 /nfs/dbraw/zinc/31/12/53/558311253.db2.gz DBDUBVRAEQCJNR-UHFFFAOYSA-N 0 3 354.454 2.290 20 10 FECDHN Cc1c2ccccc2n(C)c1CNCc1cnc(N2CCN(C)CC2)nc1 ZINC000475198037 561092696 /nfs/dbraw/zinc/09/26/96/561092696.db2.gz VLUUXXFCHRCRCJ-UHFFFAOYSA-N 0 3 364.497 2.318 20 10 FECDHN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000736818675 599108516 /nfs/dbraw/zinc/10/85/16/599108516.db2.gz UJLWMQLYGMUGAR-UHFFFAOYSA-N 0 3 364.453 2.335 20 10 FECDHN C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000736818675 599108518 /nfs/dbraw/zinc/10/85/18/599108518.db2.gz UJLWMQLYGMUGAR-UHFFFAOYSA-N 0 3 364.453 2.335 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@@H](CO)c2cccnc2)c1[O-] ZINC000808431700 674458917 /nfs/dbraw/zinc/45/89/17/674458917.db2.gz XPCDQLHNGDCPQE-ZDUSSCGKSA-N 0 3 367.243 2.424 20 10 FECDHN CC(C)N(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H](O)CO ZINC000817417640 675131287 /nfs/dbraw/zinc/13/12/87/675131287.db2.gz MKQQRBCVYPSOBD-MRXNPFEDSA-N 0 3 351.447 2.149 20 10 FECDHN C[C@H](CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)S(C)(=O)=O ZINC000819120167 675262598 /nfs/dbraw/zinc/26/25/98/675262598.db2.gz MZXUDOJKTJSWBE-CHWSQXEVSA-N 0 3 362.442 2.280 20 10 FECDHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000819824452 675316534 /nfs/dbraw/zinc/31/65/34/675316534.db2.gz KSYJYXXHPLTZCG-HOTGVXAUSA-N 0 3 359.495 2.437 20 10 FECDHN C[C@H]1CN(Cc2ccc(Br)cc2[O-])CC[N@@H+]1CC(C)(C)O ZINC000825628730 675661651 /nfs/dbraw/zinc/66/16/51/675661651.db2.gz GWVAPXLSMGGEDR-LBPRGKRZSA-N 0 3 357.292 2.432 20 10 FECDHN C[C@H]1CN(Cc2ccc(Br)cc2[O-])CC[N@H+]1CC(C)(C)O ZINC000825628730 675661652 /nfs/dbraw/zinc/66/16/52/675661652.db2.gz GWVAPXLSMGGEDR-LBPRGKRZSA-N 0 3 357.292 2.432 20 10 FECDHN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])CO2 ZINC000827067325 675726793 /nfs/dbraw/zinc/72/67/93/675726793.db2.gz ZXBGQSPOGLZXLU-CQSZACIVSA-N 0 3 352.406 2.399 20 10 FECDHN Cc1cc(CN2CCC[C@H](CS(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000827963446 675789402 /nfs/dbraw/zinc/78/94/02/675789402.db2.gz LMCNSDYOSMZMLO-SFHVURJKSA-N 0 3 365.543 2.486 20 10 FECDHN CNS(=O)(=O)C[C@@H]1CCCN1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828357336 675815226 /nfs/dbraw/zinc/81/52/26/675815226.db2.gz DNDUPOSKCROWND-SFHVURJKSA-N 0 3 365.543 2.499 20 10 FECDHN CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000749971507 680092324 /nfs/dbraw/zinc/09/23/24/680092324.db2.gz JVZVWTHSUXQPTI-CQSZACIVSA-N 0 3 364.467 2.068 20 10 FECDHN CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000749971507 680092329 /nfs/dbraw/zinc/09/23/29/680092329.db2.gz JVZVWTHSUXQPTI-CQSZACIVSA-N 0 3 364.467 2.068 20 10 FECDHN C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000756603655 680488518 /nfs/dbraw/zinc/48/85/18/680488518.db2.gz JKWHYTYFHWGLSD-JTQLQIEISA-N 0 3 361.255 2.401 20 10 FECDHN CN(Cc1ccc(N2CCCCC2)cc1)CC1(O)CCS(=O)(=O)CC1 ZINC000769173454 680973386 /nfs/dbraw/zinc/97/33/86/680973386.db2.gz PTZAWZQPOVKDGR-UHFFFAOYSA-N 0 3 366.527 2.048 20 10 FECDHN O=C(NC[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000843057551 680985151 /nfs/dbraw/zinc/98/51/51/680985151.db2.gz JYYILFANXVILJD-BLLLJJGKSA-N 0 3 369.868 2.265 20 10 FECDHN CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000776810552 681438386 /nfs/dbraw/zinc/43/83/86/681438386.db2.gz ZKNANAMKRCOSCA-CHWSQXEVSA-N 0 3 350.415 2.468 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1[O-] ZINC000848549761 681576129 /nfs/dbraw/zinc/57/61/29/681576129.db2.gz SWIBFYGLFVQREY-WMFXKJRFSA-N 0 3 360.248 2.354 20 10 FECDHN COC(=O)N(C)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000850389839 681896578 /nfs/dbraw/zinc/89/65/78/681896578.db2.gz IISMCIWZIKIHQJ-UHFFFAOYSA-N 0 3 350.419 2.373 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC(CO)([NH2+]CC(C)C)CC2)c1[O-] ZINC000852122175 682223232 /nfs/dbraw/zinc/22/32/32/682223232.db2.gz HXKLGXVLKBXOHG-UHFFFAOYSA-N 0 3 352.450 2.306 20 10 FECDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC(CNS(C)(=O)=O)CC2)c1 ZINC000795668565 683079061 /nfs/dbraw/zinc/07/90/61/683079061.db2.gz BUKILYLUFUQNBZ-UHFFFAOYSA-N 0 3 370.515 2.157 20 10 FECDHN COc1cc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c(O)cc1C ZINC000799958053 683515242 /nfs/dbraw/zinc/51/52/42/683515242.db2.gz NTZDHXOLPPMPCW-UHFFFAOYSA-N 0 3 368.499 2.099 20 10 FECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1[O-] ZINC000862485217 683594910 /nfs/dbraw/zinc/59/49/10/683594910.db2.gz JYXCGVYSVCMDHJ-CHWSQXEVSA-N 0 3 362.879 2.004 20 10 FECDHN Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2c([O-])cccc2Br)n[nH]1 ZINC000922408210 683716754 /nfs/dbraw/zinc/71/67/54/683716754.db2.gz ISUMWHOEHQILOX-QMTHXVAHSA-N 0 3 367.247 2.449 20 10 FECDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1 ZINC000922450920 683725447 /nfs/dbraw/zinc/72/54/47/683725447.db2.gz BIAIWGYHRVZENS-UHFFFAOYSA-N 0 3 364.467 2.082 20 10 FECDHN COc1ccc(N2CCN(C[C@@H](O)Cn3cc(C)c(Cl)n3)CC2)cc1 ZINC000871984721 684904013 /nfs/dbraw/zinc/90/40/13/684904013.db2.gz FIMOZNMFPLUOHV-MRXNPFEDSA-N 0 3 364.877 2.037 20 10 FECDHN CO[C@]1(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCOC1 ZINC000877034066 686315243 /nfs/dbraw/zinc/31/52/43/686315243.db2.gz XGIXADLEZJWRRD-WMZOPIPTSA-N 0 3 354.878 2.405 20 10 FECDHN CCN1CCN([C@@H](C)C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882890255 687523454 /nfs/dbraw/zinc/52/34/54/687523454.db2.gz SQQQOWKLPDXZSU-LBPRGKRZSA-N 0 3 374.298 2.409 20 10 FECDHN CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Br)cc(C)c3[O-])C[C@@H]2C1 ZINC000895576872 689738611 /nfs/dbraw/zinc/73/86/11/689738611.db2.gz VKEGPGSSAVKIKL-OKILXGFUSA-N 0 3 353.260 2.373 20 10 FECDHN CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Br)cc(C)c3[O-])C[C@@H]2C1 ZINC000895576872 689738612 /nfs/dbraw/zinc/73/86/12/689738612.db2.gz VKEGPGSSAVKIKL-OKILXGFUSA-N 0 3 353.260 2.373 20 10 FECDHN COc1cc(Br)cc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1[O-] ZINC000896385735 689866820 /nfs/dbraw/zinc/86/68/20/689866820.db2.gz WJNNYKDIMSOGCS-JTQLQIEISA-N 0 3 358.232 2.358 20 10 FECDHN COc1cc(Br)cc(C[N@H+]2CC[C@H](C3OCCO3)C2)c1[O-] ZINC000896385735 689866823 /nfs/dbraw/zinc/86/68/23/689866823.db2.gz WJNNYKDIMSOGCS-JTQLQIEISA-N 0 3 358.232 2.358 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)N2C[C@@H]3CSC[C@@H]3C2)N(C)C)cc1 ZINC000899099362 690303920 /nfs/dbraw/zinc/30/39/20/690303920.db2.gz ZQBZLZKTUQYDID-SOLBZPMBSA-N 0 3 362.543 2.360 20 10 FECDHN COc1ccc(N2CCC(N(C)Cc3cc(=O)n4nccc4[nH]3)CC2)cc1 ZINC000072801399 541868040 /nfs/dbraw/zinc/86/80/40/541868040.db2.gz HAEBTJSPGQHJCC-UHFFFAOYSA-N 0 3 367.453 2.132 20 10 FECDHN COc1cccc(CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)c1O ZINC000073794014 542000987 /nfs/dbraw/zinc/00/09/87/542000987.db2.gz PKERAGHZIQMAPS-QGZVFWFLSA-N 0 3 357.454 2.373 20 10 FECDHN CS(=O)(=O)N1CC[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])C1 ZINC000801522977 674133625 /nfs/dbraw/zinc/13/36/25/674133625.db2.gz HXWCDPYNNJSBKZ-OAHLLOKOSA-N 0 3 364.467 2.269 20 10 FECDHN CS(=O)(=O)N1CC[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])C1 ZINC000801522977 674133628 /nfs/dbraw/zinc/13/36/28/674133628.db2.gz HXWCDPYNNJSBKZ-OAHLLOKOSA-N 0 3 364.467 2.269 20 10 FECDHN CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000109770508 543338578 /nfs/dbraw/zinc/33/85/78/543338578.db2.gz SAWSJQARRAFMSP-UHFFFAOYSA-N 0 3 364.467 2.153 20 10 FECDHN CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000109770508 543338580 /nfs/dbraw/zinc/33/85/80/543338580.db2.gz SAWSJQARRAFMSP-UHFFFAOYSA-N 0 3 364.467 2.153 20 10 FECDHN Cc1ccc(O)c(CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000123532146 543767816 /nfs/dbraw/zinc/76/78/16/543767816.db2.gz QDRASGQBGLLIND-UHFFFAOYSA-N 0 3 364.449 2.255 20 10 FECDHN C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCN1C ZINC000124586201 543830999 /nfs/dbraw/zinc/83/09/99/543830999.db2.gz LOZMJZCDJZSVCA-ARGQNCHBSA-N 0 3 357.498 2.478 20 10 FECDHN C[C@H](CC(=O)N(C)C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163404911 546145159 /nfs/dbraw/zinc/14/51/59/546145159.db2.gz XCFINORQTYNWII-CYBMUJFWSA-N 0 3 373.419 2.498 20 10 FECDHN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCCCN1 ZINC000165487789 546153514 /nfs/dbraw/zinc/15/35/14/546153514.db2.gz UPNSQUHMINNLPQ-MRXNPFEDSA-N 0 3 371.403 2.300 20 10 FECDHN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000182503731 547504737 /nfs/dbraw/zinc/50/47/37/547504737.db2.gz NRJXUBWXNKUUIT-FUHWJXTLSA-N 0 3 370.490 2.108 20 10 FECDHN O=S1(=O)CCC[C@@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000183045744 547591728 /nfs/dbraw/zinc/59/17/28/547591728.db2.gz BABHYQLWGOHDSF-ZIAGYGMSSA-N 0 3 374.453 2.424 20 10 FECDHN Cc1ccc(O)c([C@H](C)NC[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000186158652 548092252 /nfs/dbraw/zinc/09/22/52/548092252.db2.gz ZULCQQFUVNGTKC-QWHCGFSZSA-N 0 3 355.481 2.248 20 10 FECDHN COc1cc(O)c(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000245608175 548956914 /nfs/dbraw/zinc/95/69/14/548956914.db2.gz ACYXHKRKNQRQQJ-BFYDXBDKSA-N 0 3 364.486 2.483 20 10 FECDHN O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000264746077 550000878 /nfs/dbraw/zinc/00/08/78/550000878.db2.gz LLTUYMTVOVMGNT-UHFFFAOYSA-N 0 3 368.389 2.287 20 10 FECDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000272594539 550459878 /nfs/dbraw/zinc/45/98/78/550459878.db2.gz IEZCHTQVWBJILJ-JQVKTCLLSA-N 0 3 355.482 2.089 20 10 FECDHN CCN1CCN(CCCC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273409075 550497679 /nfs/dbraw/zinc/49/76/79/550497679.db2.gz PFPLULIJALOLHU-INIZCTEOSA-N 0 3 363.502 2.247 20 10 FECDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000273799068 550511538 /nfs/dbraw/zinc/51/15/38/550511538.db2.gz WUSVKSRQEGMIEQ-CHWSQXEVSA-N 0 3 370.877 2.417 20 10 FECDHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000273799068 550511540 /nfs/dbraw/zinc/51/15/40/550511540.db2.gz WUSVKSRQEGMIEQ-CHWSQXEVSA-N 0 3 370.877 2.417 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@](C)(OC)CC1)cc2=O ZINC000280572750 551009077 /nfs/dbraw/zinc/00/90/77/551009077.db2.gz SDJATWKKKYBQJI-GOSISDBHSA-N 0 3 362.430 2.003 20 10 FECDHN CCCN(Cc1ccccc1O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282072908 551176941 /nfs/dbraw/zinc/17/69/41/551176941.db2.gz WXOOUSFYWYHUHI-UHFFFAOYSA-N 0 3 362.518 2.340 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000289360126 552306988 /nfs/dbraw/zinc/30/69/88/552306988.db2.gz IPIKTBXTGBIGTB-RBBKRZOGSA-N 0 3 366.509 2.404 20 10 FECDHN COC1CCN(c2ccc(CN3CC[C@H](N4CCCC4=O)C3)cc2)CC1 ZINC000296331699 553142670 /nfs/dbraw/zinc/14/26/70/553142670.db2.gz PITORTPBOLHVPI-IBGZPJMESA-N 0 3 357.498 2.499 20 10 FECDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000297588300 553312422 /nfs/dbraw/zinc/31/24/22/553312422.db2.gz CCZAPQIDXSHAOY-KRWDZBQOSA-N 0 3 361.486 2.074 20 10 FECDHN Cc1nccc(CN2CCC[C@H](NCc3ccc(N(C)C)c(F)c3)C2=O)n1 ZINC000363972496 555224866 /nfs/dbraw/zinc/22/48/66/555224866.db2.gz ILEXAOYQXVCXOU-SFHVURJKSA-N 0 3 371.460 2.271 20 10 FECDHN COc1ccc(O)c(CN2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)c1 ZINC000369517454 556617608 /nfs/dbraw/zinc/61/76/08/556617608.db2.gz GUUZLBUCOFTISG-CYBMUJFWSA-N 0 3 358.442 2.205 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC000370355188 556849392 /nfs/dbraw/zinc/84/93/92/556849392.db2.gz LLOAGWAXABKMCE-SJORKVTESA-N 0 3 350.434 2.155 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c1[O-] ZINC000370355188 556849394 /nfs/dbraw/zinc/84/93/94/556849394.db2.gz LLOAGWAXABKMCE-SJORKVTESA-N 0 3 350.434 2.155 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1[O-] ZINC000371300942 557136948 /nfs/dbraw/zinc/13/69/48/557136948.db2.gz RLMJMMRYYLGHBM-KBAYOESNSA-N 0 3 350.434 2.417 20 10 FECDHN CCOc1cccc(C[NH+]2CCC(C(=O)Nc3cnccn3)CC2)c1[O-] ZINC000371403895 557174693 /nfs/dbraw/zinc/17/46/93/557174693.db2.gz DOHUKZWAYPCDLZ-UHFFFAOYSA-N 0 3 356.426 2.432 20 10 FECDHN CCOc1cccc(CN2CCC(C(=O)Nc3cnccn3)CC2)c1O ZINC000371403895 557174697 /nfs/dbraw/zinc/17/46/97/557174697.db2.gz DOHUKZWAYPCDLZ-UHFFFAOYSA-N 0 3 356.426 2.432 20 10 FECDHN CCOc1ccc(O)c(CN[C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1 ZINC000373369155 557680899 /nfs/dbraw/zinc/68/08/99/557680899.db2.gz JIWJWSIFZRKHFP-GOSISDBHSA-N 0 3 370.453 2.170 20 10 FECDHN COc1cc(O)c(CN2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)cc1OC ZINC000374786069 557931117 /nfs/dbraw/zinc/93/11/17/557931117.db2.gz YBYXJMGSUCXXHK-ZDUSSCGKSA-N 0 3 374.441 2.471 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1 ZINC000377725060 558405662 /nfs/dbraw/zinc/40/56/62/558405662.db2.gz ZGICXCBWPUZNLA-YCPHGPKFSA-N 0 3 362.449 2.398 20 10 FECDHN C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c2c1c(F)ccc2[O-] ZINC000527955343 562309405 /nfs/dbraw/zinc/30/94/05/562309405.db2.gz NPAPXKCTMJYPBR-RCDCFZSISA-N 0 3 364.461 2.285 20 10 FECDHN Cn1cncc1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000807108069 674405099 /nfs/dbraw/zinc/40/50/99/674405099.db2.gz QUIMGIAVVFFWIZ-HNNXBMFYSA-N 0 3 362.861 2.102 20 10 FECDHN CNC(=O)COc1cccc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])c1 ZINC000809721184 674506996 /nfs/dbraw/zinc/50/69/96/674506996.db2.gz VCLLOZQGQNNPLX-UHFFFAOYSA-N 0 3 364.829 2.469 20 10 FECDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821611013 607114614 /nfs/dbraw/zinc/11/46/14/607114614.db2.gz NQMITTMBMZSSNS-UHFFFAOYSA-N 0 3 364.453 2.335 20 10 FECDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821611013 607114615 /nfs/dbraw/zinc/11/46/15/607114615.db2.gz NQMITTMBMZSSNS-UHFFFAOYSA-N 0 3 364.453 2.335 20 10 FECDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821611013 607114616 /nfs/dbraw/zinc/11/46/16/607114616.db2.gz NQMITTMBMZSSNS-UHFFFAOYSA-N 0 3 364.453 2.335 20 10 FECDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821611013 607114617 /nfs/dbraw/zinc/11/46/17/607114617.db2.gz NQMITTMBMZSSNS-UHFFFAOYSA-N 0 3 364.453 2.335 20 10 FECDHN Cc1cc(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)ccc1N(C)C ZINC000815116467 674920869 /nfs/dbraw/zinc/92/08/69/674920869.db2.gz ORNCTJISBYCALD-QGZVFWFLSA-N 0 3 353.532 2.164 20 10 FECDHN CC(C)N(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H](O)CO ZINC000817417639 675131327 /nfs/dbraw/zinc/13/13/27/675131327.db2.gz MKQQRBCVYPSOBD-INIZCTEOSA-N 0 3 351.447 2.149 20 10 FECDHN COc1cc(Br)cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)c1O ZINC000159533987 672282952 /nfs/dbraw/zinc/28/29/52/672282952.db2.gz PUTMESBZBLWACS-UWVGGRQHSA-N 0 3 357.248 2.249 20 10 FECDHN COCCCS(=O)(=O)NCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000747530432 673932021 /nfs/dbraw/zinc/93/20/21/673932021.db2.gz VRBKUOBGMOPBPF-UHFFFAOYSA-N 0 3 370.515 2.093 20 10 FECDHN COCCCS(=O)(=O)NCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000747530432 673932023 /nfs/dbraw/zinc/93/20/23/673932023.db2.gz VRBKUOBGMOPBPF-UHFFFAOYSA-N 0 3 370.515 2.093 20 10 FECDHN COc1cccc([O-])c1C[NH2+]CCn1cc(Br)ccc1=O ZINC000824544312 675609606 /nfs/dbraw/zinc/60/96/06/675609606.db2.gz VAJIPTOZHCGGMX-UHFFFAOYSA-N 0 3 353.216 2.115 20 10 FECDHN CC[C@H](CNS(C)(=O)=O)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000824679178 675616122 /nfs/dbraw/zinc/61/61/22/675616122.db2.gz XZGAKYQQJFKFDO-GFCCVEGCSA-N 0 3 367.437 2.189 20 10 FECDHN CN(C)c1ccc(/C=C/CNCCNS(=O)(=O)c2cccs2)cc1 ZINC000835040198 680289658 /nfs/dbraw/zinc/28/96/58/680289658.db2.gz BMNBALXUXCNECQ-HWKANZROSA-N 0 3 365.524 2.395 20 10 FECDHN COc1ccc(N2CCN(C[C@@H](O)CNCc3ccsc3)CC2)cc1 ZINC000758210299 680562606 /nfs/dbraw/zinc/56/26/06/680562606.db2.gz PCXMWNZIIFOSET-SFHVURJKSA-N 0 3 361.511 2.029 20 10 FECDHN COc1cc(Br)cc(CN2C[C@H](C)N(CCO)C[C@@H]2C)c1O ZINC000841892037 680916853 /nfs/dbraw/zinc/91/68/53/680916853.db2.gz SAFFZOWGEXJDAH-RYUDHWBXSA-N 0 3 373.291 2.050 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCn2cncn2)c1[O-] ZINC000848540639 681575121 /nfs/dbraw/zinc/57/51/21/681575121.db2.gz IVJQYIJCNCDASB-SNVBAGLBSA-N 0 3 355.236 2.496 20 10 FECDHN COc1cc(Br)cc([C@@H](C)NCC(=O)NCC(F)F)c1O ZINC000848549539 681576337 /nfs/dbraw/zinc/57/63/37/681576337.db2.gz QTWCMUWGQMPPCA-SSDOTTSWSA-N 0 3 367.190 2.195 20 10 FECDHN CCN1C[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])CC1=O ZINC000848553376 681576751 /nfs/dbraw/zinc/57/67/51/681576751.db2.gz KXCKJSLKNSSPKC-ONGXEEELSA-N 0 3 357.248 2.435 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@]2(O)CCOC2)c1[O-] ZINC000848555162 681577687 /nfs/dbraw/zinc/57/76/87/681577687.db2.gz MEPLSLRKKSKJMT-MEBBXXQBSA-N 0 3 360.248 2.355 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)c1[O-] ZINC000850344065 681888007 /nfs/dbraw/zinc/88/80/07/681888007.db2.gz ATDQFIYQZAUEQD-HZMBPMFUSA-N 0 3 360.248 2.304 20 10 FECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)c1[O-] ZINC000850510985 681910603 /nfs/dbraw/zinc/91/06/03/681910603.db2.gz ZANMREMSZGYFLB-LRDDRELGSA-N 0 3 374.275 2.282 20 10 FECDHN Cc1cc(Br)cc(CN2CCN(CCO)C(C)(C)C2)c1O ZINC000783713360 682168636 /nfs/dbraw/zinc/16/86/36/682168636.db2.gz ANTVKKHRXWTEKQ-UHFFFAOYSA-N 0 3 357.292 2.352 20 10 FECDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@@H]3CCN(S(C)(=O)=O)C3)c2c1 ZINC000793565820 682896017 /nfs/dbraw/zinc/89/60/17/682896017.db2.gz FPOIXTJIHLSQLT-CQSZACIVSA-N 0 3 364.467 2.020 20 10 FECDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@@H]3CCN(S(C)(=O)=O)C3)c2c1 ZINC000793565820 682896019 /nfs/dbraw/zinc/89/60/19/682896019.db2.gz FPOIXTJIHLSQLT-CQSZACIVSA-N 0 3 364.467 2.020 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC([N@@H+]3CCCOCC3)CC2)c1[O-] ZINC000931288834 684255960 /nfs/dbraw/zinc/25/59/60/684255960.db2.gz VKSGYNSCWVFLME-UHFFFAOYSA-N 0 3 350.434 2.421 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC([N@H+]3CCCOCC3)CC2)c1[O-] ZINC000931288834 684255965 /nfs/dbraw/zinc/25/59/65/684255965.db2.gz VKSGYNSCWVFLME-UHFFFAOYSA-N 0 3 350.434 2.421 20 10 FECDHN C[C@H]([NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1)c1ccccc1[O-] ZINC000879650663 686879892 /nfs/dbraw/zinc/87/98/92/686879892.db2.gz MNZOCUHKCBKPRS-HNNXBMFYSA-N 0 3 359.495 2.449 20 10 FECDHN CN(C)S(=O)(=O)C1(CNCc2ccc(N3CCCCC3)cc2)CC1 ZINC000886321899 688230883 /nfs/dbraw/zinc/23/08/83/688230883.db2.gz BCXFAIZAGZWYIB-UHFFFAOYSA-N 0 3 351.516 2.191 20 10 FECDHN CO[C@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(F)(F)F ZINC000891245398 689039708 /nfs/dbraw/zinc/03/97/08/689039708.db2.gz DGSAWONNORTCFK-HUUCEWRRSA-N 0 3 361.408 2.439 20 10 FECDHN COCc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000891256397 689040986 /nfs/dbraw/zinc/04/09/86/689040986.db2.gz XUNGPRAIMNWBFM-MRXNPFEDSA-N 0 3 362.499 2.388 20 10 FECDHN COc1ccc(CN2CCCC[C@@H]2COC(=O)N(C)C)c(O)c1OC ZINC000894426683 689529874 /nfs/dbraw/zinc/52/98/74/689529874.db2.gz BIFSJCCTYBJSAH-CQSZACIVSA-N 0 3 352.431 2.462 20 10 FECDHN C[C@@H](CCCCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098241 690303412 /nfs/dbraw/zinc/30/34/12/690303412.db2.gz MZUIQFOYDUGJBX-MAUKXSAKSA-N 0 3 350.507 2.206 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCN(C3CCCC3)CC2)cc1 ZINC000045767932 540226570 /nfs/dbraw/zinc/22/65/70/540226570.db2.gz RNEIESPJUHQVLP-UHFFFAOYSA-N 0 3 358.530 2.271 20 10 FECDHN C[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000090769400 542788486 /nfs/dbraw/zinc/78/84/86/542788486.db2.gz NYOAEPHVOYTXPL-CZUORRHYSA-N 0 3 368.524 2.300 20 10 FECDHN C[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000090769397 542788494 /nfs/dbraw/zinc/78/84/94/542788494.db2.gz NYOAEPHVOYTXPL-XJKSGUPXSA-N 0 3 368.524 2.300 20 10 FECDHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092011059 542837953 /nfs/dbraw/zinc/83/79/53/542837953.db2.gz XJGKEKJYLPDZAY-QUCCMNQESA-N 0 3 370.497 2.202 20 10 FECDHN CCOc1cccc(CN2CCC(N(C)S(=O)(=O)CC)CC2)c1O ZINC000093321001 542925903 /nfs/dbraw/zinc/92/59/03/542925903.db2.gz HQZBCOPRKGSDIP-UHFFFAOYSA-N 0 3 356.488 2.037 20 10 FECDHN Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093454658 542931021 /nfs/dbraw/zinc/93/10/21/542931021.db2.gz AYLQYEDFOZZDMC-FQEVSTJZSA-N 0 3 370.497 2.202 20 10 FECDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000093613642 542936551 /nfs/dbraw/zinc/93/65/51/542936551.db2.gz LYNHQVCQFKCGGR-PMACEKPBSA-N 0 3 360.498 2.275 20 10 FECDHN O=C(CN1CCC2(CCC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000122930686 543732138 /nfs/dbraw/zinc/73/21/38/543732138.db2.gz OZNMYWVSNJCOHR-UHFFFAOYSA-N 0 3 361.461 2.155 20 10 FECDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@H]1C[C@@H]1c1cccnc1 ZINC000131352598 544187234 /nfs/dbraw/zinc/18/72/34/544187234.db2.gz MEUQZOCNFZUCLL-SJORKVTESA-N 0 3 354.429 2.050 20 10 FECDHN C[NH+]1CCC(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000154018168 544852899 /nfs/dbraw/zinc/85/28/99/544852899.db2.gz GYDAXWIOBFAVMI-KRWDZBQOSA-N 0 3 365.905 2.468 20 10 FECDHN COc1ccc(N2CCN(CCCNCc3ccc(CO)o3)CC2)cc1 ZINC000174248919 546294010 /nfs/dbraw/zinc/29/40/10/546294010.db2.gz BCLDBRNWIXAWGP-UHFFFAOYSA-N 0 3 359.470 2.082 20 10 FECDHN CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)c1[O-] ZINC000182894694 547567937 /nfs/dbraw/zinc/56/79/37/547567937.db2.gz PGMNWRRVHLAALR-GOSISDBHSA-N 0 3 363.477 2.336 20 10 FECDHN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)c1[O-] ZINC000182894694 547567941 /nfs/dbraw/zinc/56/79/41/547567941.db2.gz PGMNWRRVHLAALR-GOSISDBHSA-N 0 3 363.477 2.336 20 10 FECDHN C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(Br)cc1[O-] ZINC000184900263 547896106 /nfs/dbraw/zinc/89/61/06/547896106.db2.gz FGHQFNVTNODIIH-CYBMUJFWSA-N 0 3 356.308 2.443 20 10 FECDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185391572 547978911 /nfs/dbraw/zinc/97/89/11/547978911.db2.gz IPKQGWXNBDDRKF-OLZOCXBDSA-N 0 3 356.308 2.441 20 10 FECDHN Cc1ccc(O)c([C@H](C)NC[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000186158617 548092648 /nfs/dbraw/zinc/09/26/48/548092648.db2.gz ZULCQQFUVNGTKC-STQMWFEESA-N 0 3 355.481 2.248 20 10 FECDHN COCCN(C)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000490222387 561428912 /nfs/dbraw/zinc/42/89/12/561428912.db2.gz DRHGSIXXEFRMFS-UHFFFAOYSA-N 0 3 361.486 2.213 20 10 FECDHN Nc1ccc(CC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1 ZINC000262643011 549834564 /nfs/dbraw/zinc/83/45/64/549834564.db2.gz LTXFSVHTQYYFRI-UHFFFAOYSA-N 0 3 353.466 2.084 20 10 FECDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272296235 550435726 /nfs/dbraw/zinc/43/57/26/550435726.db2.gz GCAAFABUJVIRKH-FLTUCWPJSA-N 0 3 351.466 2.429 20 10 FECDHN Cc1ccc([C@@H](C)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c(O)c1C ZINC000273501040 550500763 /nfs/dbraw/zinc/50/07/63/550500763.db2.gz QEHLTPVEPJORQY-CVEARBPZSA-N 0 3 370.515 2.148 20 10 FECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1[O-] ZINC000275313842 550571590 /nfs/dbraw/zinc/57/15/90/550571590.db2.gz JSWZOOOMUTYDAW-OCCSQVGLSA-N 0 3 356.308 2.360 20 10 FECDHN CN(C)c1ccc(CNC[C@@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000280036649 550954853 /nfs/dbraw/zinc/95/48/53/550954853.db2.gz VAGIVDDIHLRUTE-NSHDSACASA-N 0 3 350.406 2.296 20 10 FECDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c([O-])c1 ZINC000293862011 552863347 /nfs/dbraw/zinc/86/33/47/552863347.db2.gz UPAAWVJJHAWPGF-CQSZACIVSA-N 0 3 355.438 2.075 20 10 FECDHN CCN1CCN(c2ccc(CNCc3ccnc(OC)n3)cc2F)CC1 ZINC000294935683 552945448 /nfs/dbraw/zinc/94/54/48/552945448.db2.gz DMMKGLFSSYENGG-UHFFFAOYSA-N 0 3 359.449 2.056 20 10 FECDHN Cc1cc(C(=O)N[C@@H]2CCCN(CCCO)C2)c(C)n1-c1ccccn1 ZINC000295357961 552993280 /nfs/dbraw/zinc/99/32/80/552993280.db2.gz FOSVYRPTEBTJEA-QGZVFWFLSA-N 0 3 356.470 2.066 20 10 FECDHN COc1ccc(O)c([C@H](C)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 ZINC000367701446 556118063 /nfs/dbraw/zinc/11/80/63/556118063.db2.gz KUZQKGVTMHYPIB-ZDUSSCGKSA-N 0 3 371.437 2.499 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 ZINC000367701446 556118067 /nfs/dbraw/zinc/11/80/67/556118067.db2.gz KUZQKGVTMHYPIB-ZDUSSCGKSA-N 0 3 371.437 2.499 20 10 FECDHN OCC1([C@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]2CCCO2)CCC1 ZINC000367960152 556182631 /nfs/dbraw/zinc/18/26/31/556182631.db2.gz XIIOTMICVUNNHV-VQTJNVASSA-N 0 3 360.498 2.323 20 10 FECDHN COc1cc([O-])c(C[NH2+][C@H]2CCN(C(=O)Cc3ccccc3)C2)cc1OC ZINC000368488740 556324762 /nfs/dbraw/zinc/32/47/62/556324762.db2.gz SRHIZNGLOHUTIF-KRWDZBQOSA-N 0 3 370.449 2.343 20 10 FECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000515653167 562018438 /nfs/dbraw/zinc/01/84/38/562018438.db2.gz WRHWZEFPPGKMNG-SFHVURJKSA-N 0 3 359.470 2.121 20 10 FECDHN CN(C)C(=O)COc1ccccc1CNCc1ccc2c(c1)CCN2C ZINC000370427777 556870147 /nfs/dbraw/zinc/87/01/47/556870147.db2.gz IYZZZFZDPSJXQE-UHFFFAOYSA-N 0 3 353.466 2.436 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373254660 557659127 /nfs/dbraw/zinc/65/91/27/557659127.db2.gz FXYMPQJWBMJFFR-KGLIPLIRSA-N 0 3 355.438 2.429 20 10 FECDHN O[C@H](c1ncc[nH]1)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000373347075 557676805 /nfs/dbraw/zinc/67/68/05/557676805.db2.gz VXPOEBUZHBEBEX-IBGZPJMESA-N 0 3 356.470 2.192 20 10 FECDHN C[C@H](N[C@H]1CC(=O)N2CCCC[C@H]12)c1ccc(N2CCC(O)CC2)cc1 ZINC000374516380 557893645 /nfs/dbraw/zinc/89/36/45/557893645.db2.gz XHGSIMVHARUJAA-RYGJVYDSSA-N 0 3 357.498 2.452 20 10 FECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1OC ZINC000375407037 558021941 /nfs/dbraw/zinc/02/19/41/558021941.db2.gz VUVZHCALPPMZOJ-CLCXKQKWSA-N 0 3 351.443 2.161 20 10 FECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1OC ZINC000375407037 558021943 /nfs/dbraw/zinc/02/19/43/558021943.db2.gz VUVZHCALPPMZOJ-CLCXKQKWSA-N 0 3 351.443 2.161 20 10 FECDHN COCCn1c(C)c(C)c2cc(C(=O)NCCOCCN(C)C)ccc21 ZINC000476318422 561116337 /nfs/dbraw/zinc/11/63/37/561116337.db2.gz FAIJRSLVHRTVPT-UHFFFAOYSA-N 0 3 361.486 2.213 20 10 FECDHN Cc1ccc(O)c(C[NH+]2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1 ZINC000826291579 608596333 /nfs/dbraw/zinc/59/63/33/608596333.db2.gz MHPDETXXPWAKGT-UHFFFAOYSA-N 0 3 368.416 2.342 20 10 FECDHN CCN1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000159678296 672284457 /nfs/dbraw/zinc/28/44/57/672284457.db2.gz GSMDZDMPMMGBTM-UHFFFAOYSA-N 0 3 362.543 2.477 20 10 FECDHN COc1cc(N2CCN([C@@H]3CCCC[C@H]3O)CC2)cc(OC)c1OC ZINC000183695509 672477330 /nfs/dbraw/zinc/47/73/30/672477330.db2.gz JJHYOBPZHTVFRJ-HZPDHXFCSA-N 0 3 350.459 2.138 20 10 FECDHN C[NH+](C)C[C@](C)(O)CNCc1cc(Cl)cc(Br)c1[O-] ZINC000708124074 673064180 /nfs/dbraw/zinc/06/41/80/673064180.db2.gz BYCLOWORBWSHCJ-CYBMUJFWSA-N 0 3 351.672 2.210 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C2CCC(C(N)=O)CC2)c1[O-] ZINC000727645507 673176958 /nfs/dbraw/zinc/17/69/58/673176958.db2.gz NYLWLOVJXBMEON-UHFFFAOYSA-N 0 3 357.248 2.297 20 10 FECDHN C[C@H](CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)S(C)(=O)=O ZINC000819120168 675262451 /nfs/dbraw/zinc/26/24/51/675262451.db2.gz MZXUDOJKTJSWBE-OLZOCXBDSA-N 0 3 362.442 2.280 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCCCN2CCO)c1[O-] ZINC000824583664 675612169 /nfs/dbraw/zinc/61/21/69/675612169.db2.gz OEIMLZHVOIUYQF-CQSZACIVSA-N 0 3 373.291 2.100 20 10 FECDHN COc1cc(Cl)cc(CN[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000761206699 680714897 /nfs/dbraw/zinc/71/48/97/680714897.db2.gz NTPJFDKCRKNNJB-IINYFYTJSA-N 0 3 364.833 2.071 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1[O-] ZINC000840961903 680857402 /nfs/dbraw/zinc/85/74/02/680857402.db2.gz FXXDYWAXRWVFDR-MFKMUULPSA-N 0 3 360.248 2.040 20 10 FECDHN CN(C)c1ccc(/C=C/CN2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC000835052006 680291411 /nfs/dbraw/zinc/29/14/11/680291411.db2.gz JRPVSYLWRDCAOB-SNAWJCMRSA-N 0 3 351.516 2.027 20 10 FECDHN C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Br)cc(F)c1[O-] ZINC000756603656 680488556 /nfs/dbraw/zinc/48/85/56/680488556.db2.gz JKWHYTYFHWGLSD-SNVBAGLBSA-N 0 3 361.255 2.401 20 10 FECDHN C[C@@](O)(C1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1)C(F)(F)F ZINC000767513901 680914762 /nfs/dbraw/zinc/91/47/62/680914762.db2.gz MQYSZFHQLFYIMM-GOEBONIOSA-N 0 3 361.360 2.343 20 10 FECDHN CCOc1cccc(CNC[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000842722327 680962088 /nfs/dbraw/zinc/96/20/88/680962088.db2.gz PFPDLBMTUOTSFA-CQSZACIVSA-N 0 3 363.435 2.115 20 10 FECDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000775373770 681301778 /nfs/dbraw/zinc/30/17/78/681301778.db2.gz WVXGUWYWEFLECQ-UWVGGRQHSA-N 0 3 363.439 2.239 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]CCCS(C)(=O)=O)c1[O-] ZINC000848523636 681571300 /nfs/dbraw/zinc/57/13/00/681571300.db2.gz AJSMNAXTRZTYMO-VIFPVBQESA-N 0 3 366.277 2.249 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1[O-] ZINC000848528204 681572018 /nfs/dbraw/zinc/57/20/18/681572018.db2.gz KJWGFHLBPQAQEZ-AAEUAGOBSA-N 0 3 372.307 2.060 20 10 FECDHN CCN1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2[O-])CC1=O ZINC000848553375 681576937 /nfs/dbraw/zinc/57/69/37/681576937.db2.gz KXCKJSLKNSSPKC-MWLCHTKSSA-N 0 3 357.248 2.435 20 10 FECDHN CN(C)c1ccc(CN(C)S(=O)(=O)C[C@@]23CCN(C2)CCC3)cc1 ZINC000913860268 685486816 /nfs/dbraw/zinc/48/68/16/685486816.db2.gz IRBMXCCQHFBMKY-SFHVURJKSA-N 0 3 351.516 2.000 20 10 FECDHN O=S(=O)(C[C@@]12CCN(C1)CCC2)NCCCSc1nccs1 ZINC000914105736 685494728 /nfs/dbraw/zinc/49/47/28/685494728.db2.gz LSFVLBKJAALZMO-AWEZNQCLSA-N 0 3 361.558 2.031 20 10 FECDHN COc1ccc(N2CCN(C(=O)CN3CCSCC[C@H]3C)CC2)cc1 ZINC000794570061 682980316 /nfs/dbraw/zinc/98/03/16/682980316.db2.gz FIPDODWSVIECAB-MRXNPFEDSA-N 0 3 363.527 2.171 20 10 FECDHN CCN1CCC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925289993 684547118 /nfs/dbraw/zinc/54/71/18/684547118.db2.gz AFRPUHABDJAXOT-CQSZACIVSA-N 0 3 351.834 2.294 20 10 FECDHN CN(C)c1ccc([C@H](N)CNC(=O)c2ccc(P(C)(C)=O)cc2)cc1 ZINC000911668234 685241343 /nfs/dbraw/zinc/24/13/43/685241343.db2.gz WVWBZUWNNQDCBJ-GOSISDBHSA-N 0 3 359.410 2.430 20 10 FECDHN COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650552 686879774 /nfs/dbraw/zinc/87/97/74/686879774.db2.gz GZUUFTUXZNXFKV-KPENOIPVSA-N 0 3 350.440 2.023 20 10 FECDHN CCN1CCN([C@H](C)C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882890254 687523377 /nfs/dbraw/zinc/52/33/77/687523377.db2.gz SQQQOWKLPDXZSU-GFCCVEGCSA-N 0 3 374.298 2.409 20 10 FECDHN COCc1ncsc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891246299 689039685 /nfs/dbraw/zinc/03/96/85/689039685.db2.gz BXLRNCNKRNUUGI-INIZCTEOSA-N 0 3 362.499 2.388 20 10 FECDHN C[C@@H]1CN(c2ccc(CNC3CC(S(C)(=O)=O)C3)cc2F)C[C@@H](C)O1 ZINC000892621504 689219837 /nfs/dbraw/zinc/21/98/37/689219837.db2.gz JQRVFOSIGBLAIX-KCNJBTMXSA-N 0 3 370.490 2.105 20 10 FECDHN F[C@@H]1CC2(CC[C@H]1NCc1ccc(N3CCOCC3)cc1)OCCO2 ZINC000892668907 689225943 /nfs/dbraw/zinc/22/59/43/689225943.db2.gz UEYUBGURFHNNET-QZTJIDSGSA-N 0 3 350.434 2.247 20 10 FECDHN CCOc1ccc(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c([O-])c1 ZINC000898286181 690154324 /nfs/dbraw/zinc/15/43/24/690154324.db2.gz DERVVHJWVLTDSW-UHFFFAOYSA-N 0 3 364.467 2.477 20 10 FECDHN C[C@H](CCCCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098242 690303391 /nfs/dbraw/zinc/30/33/91/690303391.db2.gz MZUIQFOYDUGJBX-QAPCUYQASA-N 0 3 350.507 2.206 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)NCCC(C)(C)CO)N(C)C)cc1 ZINC000899098791 690303872 /nfs/dbraw/zinc/30/38/72/690303872.db2.gz RYYPZELZVQBKIX-KRWDZBQOSA-N 0 3 350.507 2.063 20 10 FECDHN CC(C)[C@H](CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102483 690304437 /nfs/dbraw/zinc/30/44/37/690304437.db2.gz PUUAKHDOGAPSLO-ZWKOTPCHSA-N 0 3 350.507 2.062 20 10 FECDHN CN(C)c1ccc([C@@H](CN2C(=O)N[C@@](C)(CCF)C2=O)N(C)C)cc1 ZINC000900184960 690481055 /nfs/dbraw/zinc/48/10/55/690481055.db2.gz IDAXHKPIPDEGBL-QAPCUYQASA-N 0 3 350.438 2.025 20 10 FECDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000247435530 549334052 /nfs/dbraw/zinc/33/40/52/549334052.db2.gz PAIFARKDSXDWPD-JWLNDWNSSA-N 0 3 357.498 2.335 20 10 FECDHN COc1ccc(N2CCC(N[C@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000114751401 543535141 /nfs/dbraw/zinc/53/51/41/543535141.db2.gz OIZAPPYNFMYCBW-INIZCTEOSA-N 0 3 371.403 2.417 20 10 FECDHN CCC[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000165488286 546153519 /nfs/dbraw/zinc/15/35/19/546153519.db2.gz RDMOOHXZWXZWNC-OAHLLOKOSA-N 0 3 359.392 2.286 20 10 FECDHN CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(O)c2[O-])[C@H](C)C1 ZINC000179502234 546966813 /nfs/dbraw/zinc/96/68/13/546966813.db2.gz IAKXLEZDMKQBFD-GDBMZVCRSA-N 0 3 350.459 2.273 20 10 FECDHN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c(O)c2[O-])[C@H](C)C1 ZINC000179502234 546966819 /nfs/dbraw/zinc/96/68/19/546966819.db2.gz IAKXLEZDMKQBFD-GDBMZVCRSA-N 0 3 350.459 2.273 20 10 FECDHN COc1cc(O)c(CN2CCC[C@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000179859679 547021750 /nfs/dbraw/zinc/02/17/50/547021750.db2.gz ACYXHKRKNQRQQJ-ZOBUZTSGSA-N 0 3 364.486 2.483 20 10 FECDHN CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000180905825 547206163 /nfs/dbraw/zinc/20/61/63/547206163.db2.gz JBCJNRFFXJUWLR-UHFFFAOYSA-N 0 3 354.403 2.071 20 10 FECDHN COc1cc(O)c(CNCC(=O)N2CCCc3ccccc32)cc1OC ZINC000181033763 547234641 /nfs/dbraw/zinc/23/46/41/547234641.db2.gz FYLPTFXMPUGWBF-UHFFFAOYSA-N 0 3 356.422 2.478 20 10 FECDHN C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1[O-] ZINC000183552580 547680004 /nfs/dbraw/zinc/68/00/04/547680004.db2.gz JZSNHOUUJBRCKH-JTQLQIEISA-N 0 3 352.378 2.357 20 10 FECDHN COc1cc(Cl)cc(CN(CCO)CCOCC(F)(F)F)c1O ZINC000184691712 547866115 /nfs/dbraw/zinc/86/61/15/547866115.db2.gz UOOUBXBPTFASLR-UHFFFAOYSA-N 0 3 357.756 2.427 20 10 FECDHN C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185392885 547978704 /nfs/dbraw/zinc/97/87/04/547978704.db2.gz QRHBJMPUBUHHAS-STQMWFEESA-N 0 3 356.308 2.441 20 10 FECDHN COc1cccc(CNCc2ccc(N3CCCS3(=O)=O)cc2)c1O ZINC000185852566 548045347 /nfs/dbraw/zinc/04/53/47/548045347.db2.gz FPQXOKASGFWJPT-UHFFFAOYSA-N 0 3 362.451 2.231 20 10 FECDHN COc1cccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1[O-] ZINC000185852566 548045348 /nfs/dbraw/zinc/04/53/48/548045348.db2.gz FPQXOKASGFWJPT-UHFFFAOYSA-N 0 3 362.451 2.231 20 10 FECDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000186147438 548091364 /nfs/dbraw/zinc/09/13/64/548091364.db2.gz LYIZAIWOFGFIDK-INIZCTEOSA-N 0 3 374.529 2.096 20 10 FECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCNS(C)(=O)=O)c1[O-] ZINC000186962051 548228965 /nfs/dbraw/zinc/22/89/65/548228965.db2.gz CZGUCLSCCQPCRZ-SNVBAGLBSA-N 0 3 365.293 2.053 20 10 FECDHN CN(CCN1CCN(C(=O)Cc2ccc(N)cc2)CC1)Cc1ccccc1 ZINC000237137014 548802807 /nfs/dbraw/zinc/80/28/07/548802807.db2.gz RYFDLOLHMNZURK-UHFFFAOYSA-N 0 3 366.509 2.088 20 10 FECDHN COc1ccc(N2CCCN(C(=O)[C@H](N)Cc3ccccc3)CC2)cc1 ZINC000237264633 548813792 /nfs/dbraw/zinc/81/37/92/548813792.db2.gz IHVLYILRLFRKGB-HXUWFJFHSA-N 0 3 353.466 2.304 20 10 FECDHN NC[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000237826422 548856522 /nfs/dbraw/zinc/85/65/22/548856522.db2.gz YLMOHLBQHXLMDQ-KRWDZBQOSA-N 0 3 357.429 2.021 20 10 FECDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@@H]1OCCc2ccccc21 ZINC000237830396 548857271 /nfs/dbraw/zinc/85/72/71/548857271.db2.gz WXTHJRHHFOUGJY-HXUWFJFHSA-N 0 3 369.440 2.166 20 10 FECDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CN(Cc3ccccc3)CC[C@H]1CO)OCO2 ZINC000265811996 550014420 /nfs/dbraw/zinc/01/44/20/550014420.db2.gz VWNXAKGTERWYIT-WMZOPIPTSA-N 0 3 370.449 2.094 20 10 FECDHN CN1CCN(CCCNC(=O)Cc2ccc(N)cc2)[C@H](c2ccccc2)C1 ZINC000269244899 550171946 /nfs/dbraw/zinc/17/19/46/550171946.db2.gz DBJVSZBLAMIXOS-NRFANRHFSA-N 0 3 366.509 2.306 20 10 FECDHN COc1ccc(N2CCN(CCN[C@@H](c3nccn3C)C3CC3)CC2)cc1 ZINC000275124022 550570658 /nfs/dbraw/zinc/57/06/58/550570658.db2.gz UKALJZNTIYRLQI-HXUWFJFHSA-N 0 3 369.513 2.292 20 10 FECDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1OC ZINC000282845182 551276919 /nfs/dbraw/zinc/27/69/19/551276919.db2.gz DAKBVFQNZVSZQP-ACJLOTCBSA-N 0 3 351.443 2.067 20 10 FECDHN C[C@@H](N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(N(C)C)cc1 ZINC000284726272 551617814 /nfs/dbraw/zinc/61/78/14/551617814.db2.gz CWOJAINXJSPLTK-WIBUTAKZSA-N 0 3 355.486 2.499 20 10 FECDHN Cc1cccc(C[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c1[O-] ZINC000284732157 551619824 /nfs/dbraw/zinc/61/98/24/551619824.db2.gz CQLUNZOUWMCNAM-VQIMIIECSA-N 0 3 354.454 2.418 20 10 FECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1[O-] ZINC000289369399 552308859 /nfs/dbraw/zinc/30/88/59/552308859.db2.gz LGUBVKHOJSTGLY-ZDUSSCGKSA-N 0 3 360.907 2.457 20 10 FECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1[O-] ZINC000289369399 552308861 /nfs/dbraw/zinc/30/88/61/552308861.db2.gz LGUBVKHOJSTGLY-ZDUSSCGKSA-N 0 3 360.907 2.457 20 10 FECDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(O)c2)c1 ZINC000289466045 552326255 /nfs/dbraw/zinc/32/62/55/552326255.db2.gz OVUDGZWTAGYTEV-OAHLLOKOSA-N 0 3 361.438 2.446 20 10 FECDHN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](CN)OC)cc1 ZINC000289882868 552394324 /nfs/dbraw/zinc/39/43/24/552394324.db2.gz HZHQRHIROVKRAO-IBGZPJMESA-N 0 3 357.454 2.268 20 10 FECDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000290127894 552431321 /nfs/dbraw/zinc/43/13/21/552431321.db2.gz ZXJUZBLIBVDTAB-FQEVSTJZSA-N 0 3 363.477 2.352 20 10 FECDHN Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000294675421 552925733 /nfs/dbraw/zinc/92/57/33/552925733.db2.gz AVQBZGUTVTXTLG-CABCVRRESA-N 0 3 355.276 2.368 20 10 FECDHN Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000294675421 552925734 /nfs/dbraw/zinc/92/57/34/552925734.db2.gz AVQBZGUTVTXTLG-CABCVRRESA-N 0 3 355.276 2.368 20 10 FECDHN O=S(=O)(N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1)C(F)(F)F ZINC000297521607 553303512 /nfs/dbraw/zinc/30/35/12/553303512.db2.gz DBADFBJBHJWYML-GFCCVEGCSA-N 0 3 364.389 2.283 20 10 FECDHN CCN1CCC(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000298649298 553454086 /nfs/dbraw/zinc/45/40/86/553454086.db2.gz LNEOZMPNVWYGNH-UHFFFAOYSA-N 0 3 360.502 2.149 20 10 FECDHN CCN1CCN(c2ccc(CNc3ccncc3C(N)=O)cc2F)CC1 ZINC000302224642 553711730 /nfs/dbraw/zinc/71/17/30/553711730.db2.gz ODGANMGCYFZNRO-UHFFFAOYSA-N 0 3 357.433 2.074 20 10 FECDHN C[C@@H](CS(C)(=O)=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000362256178 554958694 /nfs/dbraw/zinc/95/86/94/554958694.db2.gz LHEFQBBZVPPJOM-LBPRGKRZSA-N 0 3 362.442 2.280 20 10 FECDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000363702907 555167829 /nfs/dbraw/zinc/16/78/29/555167829.db2.gz DERRUTIHHYUZTQ-HNNXBMFYSA-N 0 3 369.465 2.452 20 10 FECDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1 ZINC000364795380 555404860 /nfs/dbraw/zinc/40/48/60/555404860.db2.gz YEIDYHXDHZROAC-HNNXBMFYSA-N 0 3 356.470 2.388 20 10 FECDHN COc1ccc(O)c([C@@H](C)N2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000367355888 556026736 /nfs/dbraw/zinc/02/67/36/556026736.db2.gz HSPDNWQEIZYGDQ-CQSZACIVSA-N 0 3 368.499 2.352 20 10 FECDHN O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000367689970 556115266 /nfs/dbraw/zinc/11/52/66/556115266.db2.gz SSKKQLIAGPXRPW-GFCCVEGCSA-N 0 3 370.471 2.393 20 10 FECDHN COc1ccc(N2CCC(N(C)C(=O)NCCN(C)C3CC3)CC2)cc1 ZINC000369245362 556547643 /nfs/dbraw/zinc/54/76/43/556547643.db2.gz XSJILROWNLATNH-UHFFFAOYSA-N 0 3 360.502 2.400 20 10 FECDHN CN1C(=O)CSC12CCN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000369992189 556751427 /nfs/dbraw/zinc/75/14/27/556751427.db2.gz ALEBZBRLPVPRDD-UHFFFAOYSA-N 0 3 361.511 2.021 20 10 FECDHN Cc1cc(C(=O)N2CCCN([C@H](C)CO)CC2)c(C)n1-c1ccccn1 ZINC000372712529 557544990 /nfs/dbraw/zinc/54/49/90/557544990.db2.gz HPJXKNMXDKPCOM-MRXNPFEDSA-N 0 3 356.470 2.018 20 10 FECDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3cnccn3)CC2)c1 ZINC000372841507 557573409 /nfs/dbraw/zinc/57/34/09/557573409.db2.gz ZFKUAAOBUXCSEA-UHFFFAOYSA-N 0 3 356.426 2.432 20 10 FECDHN CCOc1ccc(O)c(CN2CCC(C(=O)Nc3cnccn3)CC2)c1 ZINC000372841507 557573410 /nfs/dbraw/zinc/57/34/10/557573410.db2.gz ZFKUAAOBUXCSEA-UHFFFAOYSA-N 0 3 356.426 2.432 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c1 ZINC000372892182 557583332 /nfs/dbraw/zinc/58/33/32/557583332.db2.gz QPHCHLQAPSKMHA-QHRIQVFBSA-N 0 3 358.442 2.005 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)c1 ZINC000377725601 558406223 /nfs/dbraw/zinc/40/62/23/558406223.db2.gz ZQYMMGMDNLJAJH-KBMXLJTQSA-N 0 3 362.449 2.398 20 10 FECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528710629 562343077 /nfs/dbraw/zinc/34/30/77/562343077.db2.gz KQHGSVLRRYSSRF-GFCCVEGCSA-N 0 3 357.410 2.333 20 10 FECDHN NS(=O)(=O)c1ccc2c(c1)[C@@H](NCc1ccc3c(c1)CCO3)CCC2 ZINC000810214893 674537324 /nfs/dbraw/zinc/53/73/24/674537324.db2.gz KYWXHNFAWKTDPA-SFHVURJKSA-N 0 3 358.463 2.436 20 10 FECDHN Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000185195397 672522651 /nfs/dbraw/zinc/52/26/51/672522651.db2.gz VQFJPYVLLCJUIS-ZDUSSCGKSA-N 0 3 352.431 2.469 20 10 FECDHN CCC[NH+](CCC)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000728082140 673192568 /nfs/dbraw/zinc/19/25/68/673192568.db2.gz OQPGOSXRGPFXJI-UHFFFAOYSA-N 0 3 371.503 2.006 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CCCCS(C)(=O)=O)c1[O-] ZINC000818224230 675205343 /nfs/dbraw/zinc/20/53/43/675205343.db2.gz IIHJXUOBOCABHU-UHFFFAOYSA-N 0 3 366.277 2.078 20 10 FECDHN Cc1cc(N(C)C)ccc1CN1CCC(N2CCCS2(=O)=O)CC1 ZINC000840954903 680856712 /nfs/dbraw/zinc/85/67/12/680856712.db2.gz MYBXXUQVFAAMSN-UHFFFAOYSA-N 0 3 351.516 2.061 20 10 FECDHN C[C@@H](NCCCS(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000765754075 680854165 /nfs/dbraw/zinc/85/41/65/680854165.db2.gz MBNGIMMYWSLPPL-CYBMUJFWSA-N 0 3 360.907 2.262 20 10 FECDHN COc1cc(Br)cc(CN2C[C@@H](C)N(CCO)C[C@H]2C)c1O ZINC000841892039 680916829 /nfs/dbraw/zinc/91/68/29/680916829.db2.gz SAFFZOWGEXJDAH-VXGBXAGGSA-N 0 3 373.291 2.050 20 10 FECDHN Cc1cc(S(=O)(=O)[N-]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(F)cc1F ZINC000842784257 680966137 /nfs/dbraw/zinc/96/61/37/680966137.db2.gz HWEFMRJQDRJLLZ-MRXNPFEDSA-N 0 3 369.437 2.318 20 10 FECDHN CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774859070 681242546 /nfs/dbraw/zinc/24/25/46/681242546.db2.gz SCOREKRHKYYUGU-AWEZNQCLSA-N 0 3 351.403 2.142 20 10 FECDHN CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774859070 681242552 /nfs/dbraw/zinc/24/25/52/681242552.db2.gz SCOREKRHKYYUGU-AWEZNQCLSA-N 0 3 351.403 2.142 20 10 FECDHN COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000777219273 681473073 /nfs/dbraw/zinc/47/30/73/681473073.db2.gz IVMXEHMEYXAFEW-HUUCEWRRSA-N 0 3 374.275 2.373 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000848529466 681571955 /nfs/dbraw/zinc/57/19/55/681571955.db2.gz NWXDCUISQOHSPD-RNCFNFMXSA-N 0 3 370.247 2.281 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000848553279 681576827 /nfs/dbraw/zinc/57/68/27/681576827.db2.gz SIFHXVWKRRZZNA-ATZCPNFKSA-N 0 3 357.248 2.468 20 10 FECDHN CNC(=O)C1([NH2+]Cc2cc(Br)cc(OC)c2[O-])CCCC1 ZINC000779173245 681686282 /nfs/dbraw/zinc/68/62/82/681686282.db2.gz DDAYLPYSTVPEHF-UHFFFAOYSA-N 0 3 357.248 2.312 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H]2CNC(=O)C2)c1[O-] ZINC000926975914 683192706 /nfs/dbraw/zinc/19/27/06/683192706.db2.gz BHFFHSOUICCZDV-ZJUUUORDSA-N 0 3 357.248 2.340 20 10 FECDHN C[N@@H+]1CCC[C@@H](N2CCN(Cc3c([O-])cccc3Br)CC2)C1 ZINC000862240097 683556781 /nfs/dbraw/zinc/55/67/81/683556781.db2.gz LTOHNXKHGWNOJH-CQSZACIVSA-N 0 3 368.319 2.367 20 10 FECDHN C[N@H+]1CCC[C@@H](N2CCN(Cc3c([O-])cccc3Br)CC2)C1 ZINC000862240097 683556787 /nfs/dbraw/zinc/55/67/87/683556787.db2.gz LTOHNXKHGWNOJH-CQSZACIVSA-N 0 3 368.319 2.367 20 10 FECDHN COC(=O)[C@@]1(OC)CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000862475236 683594856 /nfs/dbraw/zinc/59/48/56/683594856.db2.gz DIQJDUJAKMOMRQ-LJQANCHMSA-N 0 3 351.443 2.462 20 10 FECDHN CCN(CC)c1ccc(CN2CCC[C@H](CS(=O)(=O)NC)C2)cc1 ZINC000862551624 683600261 /nfs/dbraw/zinc/60/02/61/683600261.db2.gz OXYIRVIIMOZXOQ-KRWDZBQOSA-N 0 3 353.532 2.294 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c1[O-] ZINC000883403503 687622720 /nfs/dbraw/zinc/62/27/20/687622720.db2.gz VEHFQVZRVVTXMA-ZDUSSCGKSA-N 0 3 369.259 2.264 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)CCn2cc(Cl)cn2)N(C)C)cc1 ZINC000891251271 689040020 /nfs/dbraw/zinc/04/00/20/689040020.db2.gz BKGNJQFOGVPGGP-KRWDZBQOSA-N 0 3 363.893 2.412 20 10 FECDHN CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccc(Cl)c3[O-])C2)CC1 ZINC000893023444 689282406 /nfs/dbraw/zinc/28/24/06/689282406.db2.gz QWHAJXUVHFEACD-CQSZACIVSA-N 0 3 366.893 2.013 20 10 FECDHN CN1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cccc(Cl)c3[O-])C2)CC1 ZINC000893023444 689282410 /nfs/dbraw/zinc/28/24/10/689282410.db2.gz QWHAJXUVHFEACD-CQSZACIVSA-N 0 3 366.893 2.013 20 10 FECDHN CCC[C@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098513 690303186 /nfs/dbraw/zinc/30/31/86/690303186.db2.gz PFFPHYZCRUGOCU-AEFFLSMTSA-N 0 3 350.507 2.206 20 10 FECDHN C[C@H](CC(C)(C)O)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099251 690303790 /nfs/dbraw/zinc/30/37/90/690303790.db2.gz XOVXKNQOFGINMA-PBHICJAKSA-N 0 3 350.507 2.204 20 10 FECDHN CCOCCCNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899723955 690413488 /nfs/dbraw/zinc/41/34/88/690413488.db2.gz HRRIRKWGNXEJAK-KRWDZBQOSA-N 0 3 352.548 2.246 20 10 FECDHN C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000359958536 533543508 /nfs/dbraw/zinc/54/35/08/533543508.db2.gz KGTFPYFJGZQRQS-XLIONFOSSA-N 0 3 373.541 2.328 20 10 FECDHN C[C@H](NCCOCCS(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000090102487 542782733 /nfs/dbraw/zinc/78/27/33/542782733.db2.gz CQYZRRNXJJXZMS-INIZCTEOSA-N 0 3 354.516 2.389 20 10 FECDHN C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000802660124 674190704 /nfs/dbraw/zinc/19/07/04/674190704.db2.gz BTLBNINSBFCQCE-CYBMUJFWSA-N 0 3 352.431 2.378 20 10 FECDHN CCN1CCC(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CC1 ZINC000126588071 543945326 /nfs/dbraw/zinc/94/53/26/543945326.db2.gz RNFXETZLKJTLID-UHFFFAOYSA-N 0 3 364.465 2.150 20 10 FECDHN CN(C)CCOc1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000181028343 547233881 /nfs/dbraw/zinc/23/38/81/547233881.db2.gz SQIRYQQBMUKANF-VQHVLOKHSA-N 0 3 356.422 2.368 20 10 FECDHN Cc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1[O-] ZINC000182204042 547452730 /nfs/dbraw/zinc/45/27/30/547452730.db2.gz CUNBGRCDULFMMR-UHFFFAOYSA-N 0 3 366.405 2.352 20 10 FECDHN CCN1CCN(c2cccc(NC(=O)c3ccc4nnn(C)c4c3)c2)CC1 ZINC000184276114 547799190 /nfs/dbraw/zinc/79/91/90/547799190.db2.gz PVCGCDQGVKGFNB-UHFFFAOYSA-N 0 3 364.453 2.363 20 10 FECDHN Cc1ccc(O)c([C@@H](C)NC[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000186158597 548092785 /nfs/dbraw/zinc/09/27/85/548092785.db2.gz ZULCQQFUVNGTKC-OLZOCXBDSA-N 0 3 355.481 2.248 20 10 FECDHN COc1ccc(N2CCN(C(=O)[C@H](N)Cc3ccccc3)CC2)cc1F ZINC000237268073 548813817 /nfs/dbraw/zinc/81/38/17/548813817.db2.gz AWYXJSORXLPVCU-GOSISDBHSA-N 0 3 357.429 2.053 20 10 FECDHN COc1ccc(N2CCN(C(=O)[C@@H](CN)c3ccccc3)CC2)cc1F ZINC000237266838 548814017 /nfs/dbraw/zinc/81/40/17/548814017.db2.gz QXROZOCITOUTHM-KRWDZBQOSA-N 0 3 357.429 2.225 20 10 FECDHN NC[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000238031565 548873715 /nfs/dbraw/zinc/87/37/15/548873715.db2.gz YLMOHLBQHXLMDQ-QGZVFWFLSA-N 0 3 357.429 2.021 20 10 FECDHN CNC(=O)CN1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000263654515 549914116 /nfs/dbraw/zinc/91/41/16/549914116.db2.gz FGKBNCLRZKMGLI-UHFFFAOYSA-N 0 3 353.466 2.359 20 10 FECDHN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264583441 549998225 /nfs/dbraw/zinc/99/82/25/549998225.db2.gz KDZCQKNDMFHSJX-HXUWFJFHSA-N 0 3 372.513 2.293 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC3(CCOCC3)C1)cc2=O ZINC000266044729 550016180 /nfs/dbraw/zinc/01/61/80/550016180.db2.gz XHZJTUBQQHVACX-UHFFFAOYSA-N 0 3 374.441 2.004 20 10 FECDHN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1=CCN(C)CC1 ZINC000272974713 550479192 /nfs/dbraw/zinc/47/91/92/550479192.db2.gz OSDFFBPLYOKSGQ-QGZVFWFLSA-N 0 3 372.513 2.315 20 10 FECDHN CN1CCN(CCNC(=O)NCc2ccc(N3CCCC3)cc2)CC1(C)C ZINC000281961749 551162922 /nfs/dbraw/zinc/16/29/22/551162922.db2.gz VDSXKMDSRUKVGM-UHFFFAOYSA-N 0 3 373.545 2.112 20 10 FECDHN C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000286868378 551934886 /nfs/dbraw/zinc/93/48/86/551934886.db2.gz BNVOHVMAYRXURA-HUUCEWRRSA-N 0 3 370.490 2.138 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H]1C[C@H](OCC)C13CCC3)cc2=O ZINC000295846793 553067458 /nfs/dbraw/zinc/06/74/58/553067458.db2.gz DFWZOCNVLSEVLJ-CABCVRRESA-N 0 3 374.441 2.049 20 10 FECDHN Cn1cc([C@H]2[C@H](C[NH2+]Cc3cc4c(cc3[O-])OCO4)CCCN2C)cn1 ZINC000363177512 555046351 /nfs/dbraw/zinc/04/63/51/555046351.db2.gz VHUMSXXZVXUVAX-ORAYPTAESA-N 0 3 358.442 2.027 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c1 ZINC000369882115 556720274 /nfs/dbraw/zinc/72/02/74/556720274.db2.gz FRRPXPAKPABGGZ-CQSZACIVSA-N 0 3 362.470 2.469 20 10 FECDHN COc1ccc(O)c([C@@H](C)N2CCC(NC(=O)C3CCOCC3)CC2)c1 ZINC000369882115 556720275 /nfs/dbraw/zinc/72/02/75/556720275.db2.gz FRRPXPAKPABGGZ-CQSZACIVSA-N 0 3 362.470 2.469 20 10 FECDHN COc1ccc(N2CCC(N(C)C(=O)[C@@H](N)CCSC)CC2)cc1 ZINC000370768314 556962595 /nfs/dbraw/zinc/96/25/95/556962595.db2.gz ZMBBNAMAIQQQFH-KRWDZBQOSA-N 0 3 351.516 2.203 20 10 FECDHN CC(C)N1CCN([C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000371335587 557151105 /nfs/dbraw/zinc/15/11/05/557151105.db2.gz KWUHOICOUKARSO-QFIPXVFZSA-N 0 3 372.557 2.124 20 10 FECDHN Cc1nccc(CN2CCC[C@H](NCc3ccc4c(c3)CCN4C)C2=O)n1 ZINC000373372189 557681334 /nfs/dbraw/zinc/68/13/34/557681334.db2.gz ZYXCNRYCMJHHIK-IBGZPJMESA-N 0 3 365.481 2.058 20 10 FECDHN C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000376162781 558135497 /nfs/dbraw/zinc/13/54/97/558135497.db2.gz OOFQRDMRVMTPDX-DOHHPOSVSA-N 0 3 357.498 2.308 20 10 FECDHN COc1ccc(O)c(CN2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1 ZINC000377708713 558402439 /nfs/dbraw/zinc/40/24/39/558402439.db2.gz XQMYSFWIUKITSW-CVEARBPZSA-N 0 3 364.442 2.270 20 10 FECDHN C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000378406288 558549411 /nfs/dbraw/zinc/54/94/11/558549411.db2.gz UTPSJWRAWRZQON-BFIPOCKSSA-N 0 3 361.461 2.322 20 10 FECDHN C[C@@H]([NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1)c1ccccc1[O-] ZINC000378626188 558596467 /nfs/dbraw/zinc/59/64/67/558596467.db2.gz RRZFVQOVEQVOHZ-HUUCEWRRSA-N 0 3 352.442 2.397 20 10 FECDHN Cc1ccc(O)c(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737363842 598837423 /nfs/dbraw/zinc/83/74/23/598837423.db2.gz FIXJBSOQIIDTCA-UHFFFAOYSA-N 0 3 365.441 2.034 20 10 FECDHN O=C(C[NH2+]Cc1ccccc1[O-])N1CCN(c2cccc(Cl)c2)CC1 ZINC000111403015 670858525 /nfs/dbraw/zinc/85/85/25/670858525.db2.gz LYJPHEIQOWFLQI-UHFFFAOYSA-N 0 3 359.857 2.484 20 10 FECDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000182358053 672443573 /nfs/dbraw/zinc/44/35/73/672443573.db2.gz IIRVFIKHLAJEGU-ZDUSSCGKSA-N 0 3 360.435 2.397 20 10 FECDHN COc1cc(N2CCN(C[C@H](OC)C3CC3)CC2)cc(OC)c1OC ZINC000822852478 675511373 /nfs/dbraw/zinc/51/13/73/675511373.db2.gz UAYODAGXZQIXJD-SFHVURJKSA-N 0 3 350.459 2.259 20 10 FECDHN COc1cc(Br)cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c1[O-] ZINC000825130488 675638279 /nfs/dbraw/zinc/63/82/79/675638279.db2.gz YWBYGDXRJCEXIK-ZWNOBZJWSA-N 0 3 360.248 2.135 20 10 FECDHN COc1cc(Br)cc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c1[O-] ZINC000825130488 675638280 /nfs/dbraw/zinc/63/82/80/675638280.db2.gz YWBYGDXRJCEXIK-ZWNOBZJWSA-N 0 3 360.248 2.135 20 10 FECDHN Cc1cc(Br)cc(C[NH2+]C(C)(C)CS(C)(=O)=O)c1[O-] ZINC000762787264 680761448 /nfs/dbraw/zinc/76/14/48/680761448.db2.gz PFFMEQXRSIMVQB-UHFFFAOYSA-N 0 3 350.278 2.376 20 10 FECDHN C[C@H](NCCNC(=O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764584587 680815800 /nfs/dbraw/zinc/81/58/00/680815800.db2.gz PWORJPFHXPLNEZ-ZDUSSCGKSA-N 0 3 351.878 2.353 20 10 FECDHN Cc1cc([O-])c(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c(Cl)c1 ZINC000840951873 680856604 /nfs/dbraw/zinc/85/66/04/680856604.db2.gz KUKGXMKORNPAHD-CQSZACIVSA-N 0 3 351.878 2.140 20 10 FECDHN Cc1cc(N(C)C)ccc1CNC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000840936931 680854951 /nfs/dbraw/zinc/85/49/51/680854951.db2.gz NQVGSNSYQRPLDN-INIZCTEOSA-N 0 3 368.524 2.047 20 10 FECDHN CCN1CCN(CC(C)(C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000832544086 680147118 /nfs/dbraw/zinc/14/71/18/680147118.db2.gz LGUVKEQAZQIXIF-UHFFFAOYSA-N 0 3 351.466 2.240 20 10 FECDHN CCS(=O)(=O)CCN[C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848524718 681571388 /nfs/dbraw/zinc/57/13/88/681571388.db2.gz LLSPJVZCQMUNHR-VIFPVBQESA-N 0 3 366.277 2.249 20 10 FECDHN COC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@H]1CCCO1 ZINC000788537421 682537501 /nfs/dbraw/zinc/53/75/01/682537501.db2.gz WJACEEIDKFUZJD-QWHCGFSZSA-N 0 3 360.248 2.447 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2COCCN2C)c1[O-] ZINC000858522895 682976422 /nfs/dbraw/zinc/97/64/22/682976422.db2.gz KYSUHZGLZGDLIR-CMPLNLGQSA-N 0 3 359.264 2.145 20 10 FECDHN CNS(=O)(=O)Cc1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921579600 683508390 /nfs/dbraw/zinc/50/83/90/683508390.db2.gz WXYIQELYXQSNRE-UHFFFAOYSA-N 0 3 360.479 2.351 20 10 FECDHN Cn1ccnc1N1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862419247 683588888 /nfs/dbraw/zinc/58/88/88/683588888.db2.gz WWFSWBMUZZNHIX-UHFFFAOYSA-N 0 3 351.248 2.210 20 10 FECDHN COC(=O)C[C@H]1CSCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876758971 686262265 /nfs/dbraw/zinc/26/22/65/686262265.db2.gz MASNUPQQXDVMMI-KRWDZBQOSA-N 0 3 364.511 2.128 20 10 FECDHN Cc1cc(Br)cc(CN2CCC(c3nnnn3C)CC2)c1O ZINC000877780771 686455574 /nfs/dbraw/zinc/45/55/74/686455574.db2.gz CIKCDXZHNQQSND-UHFFFAOYSA-N 0 3 366.263 2.366 20 10 FECDHN Cc1cc(Br)cc(C[NH+]2CCC(c3nnnn3C)CC2)c1[O-] ZINC000877780771 686455578 /nfs/dbraw/zinc/45/55/78/686455578.db2.gz CIKCDXZHNQQSND-UHFFFAOYSA-N 0 3 366.263 2.366 20 10 FECDHN C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1)c1ccccc1[O-] ZINC000879648388 686879935 /nfs/dbraw/zinc/87/99/35/686879935.db2.gz MNZOCUHKCBKPRS-OAHLLOKOSA-N 0 3 359.495 2.449 20 10 FECDHN [O-]c1c(Br)cc(Cl)cc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000882916354 687526943 /nfs/dbraw/zinc/52/69/43/687526943.db2.gz NHYNQUZEBWAKSI-GFCCVEGCSA-N 0 3 363.683 2.354 20 10 FECDHN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000882916354 687526946 /nfs/dbraw/zinc/52/69/46/687526946.db2.gz NHYNQUZEBWAKSI-GFCCVEGCSA-N 0 3 363.683 2.354 20 10 FECDHN COCc1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891250186 689040034 /nfs/dbraw/zinc/04/00/34/689040034.db2.gz VENNFMOCQXQKPT-HNNXBMFYSA-N 0 3 362.499 2.388 20 10 FECDHN COC(=O)c1c(CNCC[C@H](C)[S@@](C)=O)c2cc(F)ccc2n1C ZINC000894410605 689526437 /nfs/dbraw/zinc/52/64/37/689526437.db2.gz RRCWWZUACTVHNB-APXPCNQMSA-N 0 3 354.447 2.351 20 10 FECDHN COc1cc(C)cc(CNCCS(=O)(=O)CCc2ccccc2)c1O ZINC000894671854 689576090 /nfs/dbraw/zinc/57/60/90/689576090.db2.gz DSFBDUGEMYHJFY-UHFFFAOYSA-N 0 3 363.479 2.456 20 10 FECDHN CCO[C@@H]1C[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@H]1OC ZINC000894843294 689606867 /nfs/dbraw/zinc/60/68/67/689606867.db2.gz KFJGXVFCNDBBFK-JFIYKMOQSA-N 0 3 356.413 2.083 20 10 FECDHN CC[C@@H](CCO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102840 690304388 /nfs/dbraw/zinc/30/43/88/690304388.db2.gz SLWJUDAZFRSSHD-MAUKXSAKSA-N 0 3 350.507 2.063 20 10 FECDHN CC[C@@](C)(CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105494 690304948 /nfs/dbraw/zinc/30/49/48/690304948.db2.gz XPPDPKSLFVNHIK-MJGOQNOKSA-N 0 3 350.507 2.206 20 10 FECDHN C[C@H]1CCCCN1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054787082 540610054 /nfs/dbraw/zinc/61/00/54/540610054.db2.gz DWTJLPSBAKWSTB-KRWDZBQOSA-N 0 3 360.502 2.197 20 10 FECDHN C[C@@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(N2CCC(O)CC2)cc1 ZINC000089677708 542768493 /nfs/dbraw/zinc/76/84/93/542768493.db2.gz WWZBSYOLFAPUKQ-IIBYNOLFSA-N 0 3 359.514 2.162 20 10 FECDHN COc1cccc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000092585676 542872742 /nfs/dbraw/zinc/87/27/42/542872742.db2.gz YGGGYTSXFNYXDF-LBPRGKRZSA-N 0 3 350.440 2.241 20 10 FECDHN C[C@@H](CN1CCCCC1)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000097216676 543008180 /nfs/dbraw/zinc/00/81/80/543008180.db2.gz AQMCWOMASQHDEF-KRWDZBQOSA-N 0 3 360.502 2.197 20 10 FECDHN Cc1cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000105321067 543171134 /nfs/dbraw/zinc/17/11/34/543171134.db2.gz WLZRSCNDFFCWTL-INIZCTEOSA-N 0 3 369.513 2.102 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000125584789 543889938 /nfs/dbraw/zinc/88/99/38/543889938.db2.gz OOQBBTNCZHMPCQ-RLLQIKCJSA-N 0 3 359.514 2.456 20 10 FECDHN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000127840926 544016835 /nfs/dbraw/zinc/01/68/35/544016835.db2.gz KWZWSWBXNJCHNH-SJLPKXTDSA-N 0 3 372.513 2.290 20 10 FECDHN C[C@H]1CN(CC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)C[C@H](C)O1 ZINC000180741517 547170273 /nfs/dbraw/zinc/17/02/73/547170273.db2.gz ISBPJJFBDKOHOF-IRJXADNDSA-N 0 3 374.481 2.459 20 10 FECDHN CN(Cc1ccccc1O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000182899357 547569039 /nfs/dbraw/zinc/56/90/39/547569039.db2.gz IFRLWLVTLYUWBZ-LJQANCHMSA-N 0 3 369.465 2.300 20 10 FECDHN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1C[C@H](F)CN1 ZINC000188784103 548286941 /nfs/dbraw/zinc/28/69/41/548286941.db2.gz ZLPKIUGNJVPHBW-SLEUVZQESA-N 0 3 357.376 2.073 20 10 FECDHN CCOC1CC(C[NH2+][C@H](C)c2cc(F)ccc2[O-])(N2CCOCC2)C1 ZINC000193404195 548386233 /nfs/dbraw/zinc/38/62/33/548386233.db2.gz GHSNFRWZJZLWBT-ICXUMSERSA-N 0 3 352.450 2.452 20 10 FECDHN O=S1(=O)CCC[C@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000245980591 549031197 /nfs/dbraw/zinc/03/11/97/549031197.db2.gz BABHYQLWGOHDSF-KBPBESRZSA-N 0 3 374.453 2.424 20 10 FECDHN COc1ccc(COC[C@@H](O)C[N@H+](C)Cc2ccccc2[O-])cc1OC ZINC000269669459 550215683 /nfs/dbraw/zinc/21/56/83/550215683.db2.gz WQQYFBDFTWYRHE-KRWDZBQOSA-N 0 3 361.438 2.419 20 10 FECDHN COc1ccc(COC[C@@H](O)C[N@@H+](C)Cc2ccccc2[O-])cc1OC ZINC000269669459 550215684 /nfs/dbraw/zinc/21/56/84/550215684.db2.gz WQQYFBDFTWYRHE-KRWDZBQOSA-N 0 3 361.438 2.419 20 10 FECDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c1 ZINC000271115792 550342039 /nfs/dbraw/zinc/34/20/39/550342039.db2.gz BOVLQJNXONOCGB-GJZGRUSLSA-N 0 3 350.459 2.154 20 10 FECDHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c1 ZINC000271115792 550342042 /nfs/dbraw/zinc/34/20/42/550342042.db2.gz BOVLQJNXONOCGB-GJZGRUSLSA-N 0 3 350.459 2.154 20 10 FECDHN CCCOc1ccc(C[NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)c([O-])c1 ZINC000275589305 550573224 /nfs/dbraw/zinc/57/32/24/550573224.db2.gz PQLCHKXSWLSMLN-INIZCTEOSA-N 0 3 372.469 2.033 20 10 FECDHN CCN(CC)c1ccc(CN2C[C@H](CO)C[C@H](OCCOC)C2)cc1 ZINC000278748133 550817724 /nfs/dbraw/zinc/81/77/24/550817724.db2.gz RWCBKLOZIXHUGZ-QUCCMNQESA-N 0 3 350.503 2.379 20 10 FECDHN CN(C)c1ccc(CNCCC(=O)N2CCOCC2)c(C(F)(F)F)c1 ZINC000280034911 550954519 /nfs/dbraw/zinc/95/45/19/550954519.db2.gz UXTDLKDUWYFIMK-UHFFFAOYSA-N 0 3 359.392 2.110 20 10 FECDHN COc1cccc(CN2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1O ZINC000281695831 551132061 /nfs/dbraw/zinc/13/20/61/551132061.db2.gz CBAULZONRAEWQD-QUCCMNQESA-N 0 3 354.450 2.486 20 10 FECDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1OC ZINC000282845189 551277043 /nfs/dbraw/zinc/27/70/43/551277043.db2.gz DAKBVFQNZVSZQP-FZKQIMNGSA-N 0 3 351.443 2.067 20 10 FECDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000288070043 552085207 /nfs/dbraw/zinc/08/52/07/552085207.db2.gz VHBNPZSUZQGICM-HNNXBMFYSA-N 0 3 361.486 2.120 20 10 FECDHN C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000291528297 552634177 /nfs/dbraw/zinc/63/41/77/552634177.db2.gz JUKLQPBKPQNAKX-IUODEOHRSA-N 0 3 355.276 2.450 20 10 FECDHN C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000291528297 552634178 /nfs/dbraw/zinc/63/41/78/552634178.db2.gz JUKLQPBKPQNAKX-IUODEOHRSA-N 0 3 355.276 2.450 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@H]2CN2CCCCC2)cc1 ZINC000298046313 553376635 /nfs/dbraw/zinc/37/66/35/553376635.db2.gz HHYSRSBBROKKSF-FQEVSTJZSA-N 0 3 358.530 2.319 20 10 FECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCN(Cc3noc(C)n3)C2)c1[O-] ZINC000359954518 554857544 /nfs/dbraw/zinc/85/75/44/554857544.db2.gz BTLSTQBCIXYVGH-AWEZNQCLSA-N 0 3 366.849 2.500 20 10 FECDHN Cc1cc(C(=O)N2CCCN(CCN(C)C)CC2)c(C)n1-c1ccccn1 ZINC000360570968 554880134 /nfs/dbraw/zinc/88/01/34/554880134.db2.gz BQCIVJNRTFHCIC-UHFFFAOYSA-N 0 3 369.513 2.199 20 10 FECDHN CCOc1cccc(CN[C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1O ZINC000363966580 555223602 /nfs/dbraw/zinc/22/36/02/555223602.db2.gz NTAJYHICLMHGRH-QGZVFWFLSA-N 0 3 370.453 2.170 20 10 FECDHN COc1cc(O)c(CN2CCC(NC(=O)c3cccn3C)CC2)cc1OC ZINC000367228052 556003499 /nfs/dbraw/zinc/00/34/99/556003499.db2.gz FCTNIXVYVXKUPX-UHFFFAOYSA-N 0 3 373.453 2.142 20 10 FECDHN COc1ccc([O-])c(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000367698508 556117188 /nfs/dbraw/zinc/11/71/88/556117188.db2.gz NKDXFVSXIGMDCI-UHFFFAOYSA-N 0 3 361.442 2.135 20 10 FECDHN OCC1([C@@H](NCc2ccc(N3CCOCC3)cc2)[C@@H]2CCCO2)CCC1 ZINC000367960150 556182545 /nfs/dbraw/zinc/18/25/45/556182545.db2.gz XIIOTMICVUNNHV-PMACEKPBSA-N 0 3 360.498 2.323 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)c3cnccn3)CC2)c1 ZINC000368219736 556251613 /nfs/dbraw/zinc/25/16/13/556251613.db2.gz ADXFNRSYOROBHX-ZDUSSCGKSA-N 0 3 356.426 2.146 20 10 FECDHN Cc1cc(Cl)cc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1[O-] ZINC000368590343 556355499 /nfs/dbraw/zinc/35/54/99/556355499.db2.gz KMVOTKWGCUMTMU-GOSISDBHSA-N 0 3 354.878 2.325 20 10 FECDHN Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2cccc(C)c2[O-])CC(=O)N1C ZINC000370408820 556863699 /nfs/dbraw/zinc/86/36/99/556863699.db2.gz YOPZTCKWFPTBQO-QFBILLFUSA-N 0 3 356.470 2.360 20 10 FECDHN Cc1nc(C)n(C[C@@H]2CCCN2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000371419240 557180585 /nfs/dbraw/zinc/18/05/85/557180585.db2.gz SZZFRCCWWUPVPN-FQEVSTJZSA-N 0 3 355.486 2.396 20 10 FECDHN COc1ccc(CNC(=O)c2cnn(CCN3CCCCC3)c2)c(O)c1 ZINC000373712289 557743514 /nfs/dbraw/zinc/74/35/14/557743514.db2.gz OGPLPXPCXHUBKQ-UHFFFAOYSA-N 0 3 358.442 2.013 20 10 FECDHN C[C@]1(C2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)NC(=O)NC1=O ZINC000374285083 557857908 /nfs/dbraw/zinc/85/79/08/557857908.db2.gz XKXSBXAYBAYLLN-OAQYLSRUSA-N 0 3 370.497 2.487 20 10 FECDHN C[C@@]1(C2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)NC(=O)NC1=O ZINC000374285079 557858103 /nfs/dbraw/zinc/85/81/03/557858103.db2.gz XKXSBXAYBAYLLN-NRFANRHFSA-N 0 3 370.497 2.487 20 10 FECDHN CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC000809785959 674509843 /nfs/dbraw/zinc/50/98/43/674509843.db2.gz IZVFTGZFPCHLFP-CYBMUJFWSA-N 0 3 358.479 2.413 20 10 FECDHN CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC000809785959 674509845 /nfs/dbraw/zinc/50/98/45/674509845.db2.gz IZVFTGZFPCHLFP-CYBMUJFWSA-N 0 3 358.479 2.413 20 10 FECDHN CCOc1cccc(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000809783861 674509909 /nfs/dbraw/zinc/50/99/09/674509909.db2.gz FUFYXBYAZVLHBP-CQSZACIVSA-N 0 3 368.499 2.085 20 10 FECDHN Cc1nc(C)c(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000736639446 673535155 /nfs/dbraw/zinc/53/51/55/673535155.db2.gz XZEDZXTYCBNRRJ-UHFFFAOYSA-N 0 3 365.524 2.285 20 10 FECDHN N[C@H](CC(F)F)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828358878 675815327 /nfs/dbraw/zinc/81/53/27/675815327.db2.gz OEWIXTKJOADHCY-CYBMUJFWSA-N 0 3 363.355 2.356 20 10 FECDHN CN(C)c1ccc(/C=C\CNCCNS(=O)(=O)c2cccs2)cc1 ZINC000835040199 680289764 /nfs/dbraw/zinc/28/97/64/680289764.db2.gz BMNBALXUXCNECQ-HYXAFXHYSA-N 0 3 365.524 2.395 20 10 FECDHN COc1cc(Br)cc(CN[C@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835073589 680293460 /nfs/dbraw/zinc/29/34/60/680293460.db2.gz NMIGKQSAMPDVDG-STQMWFEESA-N 0 3 369.259 2.406 20 10 FECDHN Cc1cc(Br)cc(CN2C[C@@H](C)N(CCO)C[C@H]2C)c1O ZINC000841891827 680916451 /nfs/dbraw/zinc/91/64/51/680916451.db2.gz PSFPVVYRNONGTB-CHWSQXEVSA-N 0 3 357.292 2.350 20 10 FECDHN CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c([O-])c1 ZINC000768438257 680947035 /nfs/dbraw/zinc/94/70/35/680947035.db2.gz QQONLXGESODEMG-OAHLLOKOSA-N 0 3 356.488 2.085 20 10 FECDHN CCOc1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c([O-])c1 ZINC000768438257 680947036 /nfs/dbraw/zinc/94/70/36/680947036.db2.gz QQONLXGESODEMG-OAHLLOKOSA-N 0 3 356.488 2.085 20 10 FECDHN CCOC(=O)N(C)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768450971 680947279 /nfs/dbraw/zinc/94/72/79/680947279.db2.gz KRGWDAIMGNUMSI-UHFFFAOYSA-N 0 3 352.431 2.462 20 10 FECDHN CCOCc1cc(CN[C@@]2(CC(=O)OC)CCCOC2)ccc1OC ZINC000770676778 681023552 /nfs/dbraw/zinc/02/35/52/681023552.db2.gz IGSXXVPDEYKRSD-LJQANCHMSA-N 0 3 351.443 2.434 20 10 FECDHN CCCN(CCC)c1ccc(CN[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000846037429 681176276 /nfs/dbraw/zinc/17/62/76/681176276.db2.gz OUTRVXJTUNZBNE-KRWDZBQOSA-N 0 3 353.532 2.437 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCCNC2=O)c1[O-] ZINC000848518462 681570255 /nfs/dbraw/zinc/57/02/55/681570255.db2.gz LSWBBBGZPQRWHU-SKDRFNHKSA-N 0 3 357.248 2.483 20 10 FECDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000784262883 682211140 /nfs/dbraw/zinc/21/11/40/682211140.db2.gz IZGFXZHKWAVDHI-GFCCVEGCSA-N 0 3 350.396 2.425 20 10 FECDHN C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000784262883 682211146 /nfs/dbraw/zinc/21/11/46/682211146.db2.gz IZGFXZHKWAVDHI-GFCCVEGCSA-N 0 3 350.396 2.425 20 10 FECDHN COC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@@H]1CCCO1 ZINC000788537422 682537472 /nfs/dbraw/zinc/53/74/72/682537472.db2.gz WJACEEIDKFUZJD-STQMWFEESA-N 0 3 360.248 2.447 20 10 FECDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c([O-])c1 ZINC000788594546 682541570 /nfs/dbraw/zinc/54/15/70/682541570.db2.gz WBBMCCJTZUYQBN-HNNXBMFYSA-N 0 3 354.516 2.169 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)c1[O-] ZINC000858472341 682971385 /nfs/dbraw/zinc/97/13/85/682971385.db2.gz YFCKWRKQAOKTOH-TVYUQYBPSA-N 0 3 360.248 2.354 20 10 FECDHN COc1cc(Br)cc([C@H](C)N[C@H](C)C(=O)N(C)OC)c1O ZINC000858589178 682982428 /nfs/dbraw/zinc/98/24/28/682982428.db2.gz ZXTSJFWSFQHCDI-DTWKUNHWSA-N 0 3 361.236 2.222 20 10 FECDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000797095690 683222206 /nfs/dbraw/zinc/22/22/06/683222206.db2.gz FMHDUNUZQQKKQY-MBNYWOFBSA-N 0 3 356.463 2.483 20 10 FECDHN COC(=O)c1c(CN[C@H](C)CC[S@](C)=O)c2cc(F)ccc2n1C ZINC000894332896 689511803 /nfs/dbraw/zinc/51/18/03/689511803.db2.gz JJDYETSRVWKSQA-JNDILOIQSA-N 0 3 354.447 2.351 20 10 FECDHN CNc1ccccc1CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000902238328 690751035 /nfs/dbraw/zinc/75/10/35/690751035.db2.gz MNHUAMVFUSFXNR-UHFFFAOYSA-N 0 3 359.495 2.253 20 10 FECDHN COc1cccc([O-])c1C[NH2+][C@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000801734424 674146479 /nfs/dbraw/zinc/14/64/79/674146479.db2.gz BCYDAVHBNLBLAS-CQSZACIVSA-N 0 3 364.467 2.248 20 10 FECDHN O=C(CN1CCCN(Cc2cc(Cl)ccc2O)CC1)N1CCCC1 ZINC000129296164 544103757 /nfs/dbraw/zinc/10/37/57/544103757.db2.gz OTEHUHYKTKZDJY-UHFFFAOYSA-N 0 3 351.878 2.176 20 10 FECDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000176061729 546399545 /nfs/dbraw/zinc/39/95/45/546399545.db2.gz KXADYUWIYUUDMV-UHFFFAOYSA-N 0 3 355.438 2.359 20 10 FECDHN Cc1cc(N2CCC[C@H](NCc3ccc4c(c3)CCN4C)C2=O)n(C)n1 ZINC000178938826 546876656 /nfs/dbraw/zinc/87/66/56/546876656.db2.gz IVTMQLPZEZBBEC-KRWDZBQOSA-N 0 3 353.470 2.006 20 10 FECDHN Nc1ccc(CC(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000262666000 549836844 /nfs/dbraw/zinc/83/68/44/549836844.db2.gz JZYLRFSYUPMTRN-UHFFFAOYSA-N 0 3 366.465 2.276 20 10 FECDHN CN(C)[C@]1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCSC1 ZINC000267250480 550028765 /nfs/dbraw/zinc/02/87/65/550028765.db2.gz ZOJPNPWNCAUPOX-IBGZPJMESA-N 0 3 360.527 2.299 20 10 FECDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c1 ZINC000271115789 550341858 /nfs/dbraw/zinc/34/18/58/550341858.db2.gz BOVLQJNXONOCGB-CABCVRRESA-N 0 3 350.459 2.154 20 10 FECDHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c1 ZINC000271115789 550341861 /nfs/dbraw/zinc/34/18/61/550341861.db2.gz BOVLQJNXONOCGB-CABCVRRESA-N 0 3 350.459 2.154 20 10 FECDHN Cc1cc(O)c(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000273369827 550495829 /nfs/dbraw/zinc/49/58/29/550495829.db2.gz DZRMGNVZTPTJIB-UHFFFAOYSA-N 0 3 364.423 2.481 20 10 FECDHN CN1CCN(CC[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1(C)C ZINC000282197889 551193728 /nfs/dbraw/zinc/19/37/28/551193728.db2.gz CLMCGYINYYCAKO-UHFFFAOYSA-N 0 3 356.854 2.069 20 10 FECDHN CCCCN(CC(=O)NC1CCN(C(C)=O)CC1)Cc1ccccc1O ZINC000282348855 551215046 /nfs/dbraw/zinc/21/50/46/551215046.db2.gz CMKAGJZCXHVWRW-UHFFFAOYSA-N 0 3 361.486 2.121 20 10 FECDHN C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000286868371 551934816 /nfs/dbraw/zinc/93/48/16/551934816.db2.gz BNVOHVMAYRXURA-CABCVRRESA-N 0 3 370.490 2.138 20 10 FECDHN COc1cccc(CNCc2c(C)nn(CC(=O)OC(C)C)c2C)c1O ZINC000289502124 552331982 /nfs/dbraw/zinc/33/19/82/552331982.db2.gz TULDCVWUOKTMRF-UHFFFAOYSA-N 0 3 361.442 2.456 20 10 FECDHN COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccccc3[O-])C2=O)c(OC)c1 ZINC000289939506 552402821 /nfs/dbraw/zinc/40/28/21/552402821.db2.gz BAJXUVDTURMWRK-QGZVFWFLSA-N 0 3 356.422 2.300 20 10 FECDHN CN1CCC[C@]2(CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C2)C1 ZINC000293844988 552861657 /nfs/dbraw/zinc/86/16/57/552861657.db2.gz CUMSLAWTOXVFSO-PABBZOGXSA-N 0 3 369.509 2.481 20 10 FECDHN COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4nc(=O)[n-][nH]4)C3)cc2)CC1 ZINC000295220101 552971125 /nfs/dbraw/zinc/97/11/25/552971125.db2.gz QWCCKXVEAARCNT-MRXNPFEDSA-N 0 3 371.485 2.093 20 10 FECDHN COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4nc(=O)[n-][nH]4)C3)cc2)CC1 ZINC000295220101 552971127 /nfs/dbraw/zinc/97/11/27/552971127.db2.gz QWCCKXVEAARCNT-MRXNPFEDSA-N 0 3 371.485 2.093 20 10 FECDHN C[C@@H]1CCCN(CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000298725895 553464290 /nfs/dbraw/zinc/46/42/90/553464290.db2.gz OGHSCBBWZKOJCM-GOSISDBHSA-N 0 3 374.529 2.397 20 10 FECDHN CCN(CC)Cc1cccc(NC(=O)C(=O)NCc2ccccc2O)c1 ZINC000299492349 553570802 /nfs/dbraw/zinc/57/08/02/553570802.db2.gz JYBSPYHCRVSERK-UHFFFAOYSA-N 0 3 355.438 2.489 20 10 FECDHN CCCN1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000361567313 554925098 /nfs/dbraw/zinc/92/50/98/554925098.db2.gz VIECJBVQVJUNKI-RMKNXTFCSA-N 0 3 357.498 2.481 20 10 FECDHN COc1ccc(O)c([C@H](C)N2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000367355887 556026397 /nfs/dbraw/zinc/02/63/97/556026397.db2.gz HSPDNWQEIZYGDQ-AWEZNQCLSA-N 0 3 368.499 2.352 20 10 FECDHN Cc1nn(C)c(N2CCCN(C)CC2)c1CNCc1ccc(N(C)C)cc1 ZINC000369286741 556565187 /nfs/dbraw/zinc/56/51/87/556565187.db2.gz CKNFPNRUDVTNFS-UHFFFAOYSA-N 0 3 370.545 2.226 20 10 FECDHN CC(C)(O)C[N@@H+]1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000372634726 557526481 /nfs/dbraw/zinc/52/64/81/557526481.db2.gz AKQBKWILTLNXSG-UHFFFAOYSA-N 0 3 357.292 2.433 20 10 FECDHN CC(C)(O)C[N@H+]1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000372634726 557526482 /nfs/dbraw/zinc/52/64/82/557526482.db2.gz AKQBKWILTLNXSG-UHFFFAOYSA-N 0 3 357.292 2.433 20 10 FECDHN O=C(Nc1nccs1)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000376481900 558179079 /nfs/dbraw/zinc/17/90/79/558179079.db2.gz NKBFCVJFKWDJKR-UHFFFAOYSA-N 0 3 361.423 2.428 20 10 FECDHN COc1cc(Br)cc(CN2CCC3(CNC(=O)C3)CC2)c1O ZINC000378337235 558532602 /nfs/dbraw/zinc/53/26/02/558532602.db2.gz ZJAKPHONGZLQMG-UHFFFAOYSA-N 0 3 369.259 2.265 20 10 FECDHN O=C1CCCN1CC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000378340668 558533642 /nfs/dbraw/zinc/53/36/42/558533642.db2.gz ICRRGMZUPFFVEH-UHFFFAOYSA-N 0 3 357.498 2.358 20 10 FECDHN CCc1nc(CN2CCC[C@@H]([N@H+](C)Cc3cccc(OC)c3[O-])C2)no1 ZINC000378343340 558534441 /nfs/dbraw/zinc/53/44/41/558534441.db2.gz SZJPFIRVFGFNRF-OAHLLOKOSA-N 0 3 360.458 2.443 20 10 FECDHN CCc1nc(CN2CCC[C@@H]([N@@H+](C)Cc3cccc(OC)c3[O-])C2)no1 ZINC000378343340 558534442 /nfs/dbraw/zinc/53/44/42/558534442.db2.gz SZJPFIRVFGFNRF-OAHLLOKOSA-N 0 3 360.458 2.443 20 10 FECDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000472222257 561021273 /nfs/dbraw/zinc/02/12/73/561021273.db2.gz LGNDVBRMZVUJHZ-MRXNPFEDSA-N 0 3 358.486 2.133 20 10 FECDHN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000472242560 561021760 /nfs/dbraw/zinc/02/17/60/561021760.db2.gz UFDPLIRSEILFOM-UHFFFAOYSA-N 0 3 371.529 2.266 20 10 FECDHN CCC[C@H]1CN(Cc2cc(OC)c(OC)cc2O)CCN1CCOC ZINC000160526309 672291879 /nfs/dbraw/zinc/29/18/79/672291879.db2.gz SEUCIHUAONJMCA-INIZCTEOSA-N 0 3 352.475 2.342 20 10 FECDHN CN(C)c1ccc(CNCCNS(=O)(=O)Cc2ccccc2)cc1F ZINC000733325237 673410172 /nfs/dbraw/zinc/41/01/72/673410172.db2.gz FZQPTRKLNCZPCV-UHFFFAOYSA-N 0 3 365.474 2.101 20 10 FECDHN Cc1cc([O-])c(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)cc1Cl ZINC000826097335 675681831 /nfs/dbraw/zinc/68/18/31/675681831.db2.gz YUDPSLXHDPTCKH-OAHLLOKOSA-N 0 3 351.878 2.140 20 10 FECDHN COc1cc(Br)cc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827141606 675733436 /nfs/dbraw/zinc/73/34/36/675733436.db2.gz VCRANLKBZGMELJ-ZWNOBZJWSA-N 0 3 369.259 2.264 20 10 FECDHN Cc1cc(CN2CCC(S(N)(=O)=O)CC2)ccc1N1CCCCC1 ZINC000828523759 675827722 /nfs/dbraw/zinc/82/77/22/675827722.db2.gz BXOLSZZCZGVRPP-UHFFFAOYSA-N 0 3 351.516 2.238 20 10 FECDHN CCO[C@@H]1C[C@@H](NCC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1SC ZINC000830423861 677038591 /nfs/dbraw/zinc/03/85/91/677038591.db2.gz XBVIJGVSWMCOJV-LMMKCTJWSA-N 0 3 365.543 2.210 20 10 FECDHN COc1cc(Br)cc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)c1O ZINC000841892033 680916836 /nfs/dbraw/zinc/91/68/36/680916836.db2.gz SAFFZOWGEXJDAH-NEPJUHHUSA-N 0 3 373.291 2.050 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1[O-] ZINC000840961900 680857386 /nfs/dbraw/zinc/85/73/86/680857386.db2.gz FXXDYWAXRWVFDR-GXFFZTMASA-N 0 3 360.248 2.040 20 10 FECDHN CN(C)c1ccc(/C=C\CNC[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000835052832 680291494 /nfs/dbraw/zinc/29/14/94/680291494.db2.gz HWNRFORQZZHOOI-HPFMTEOYSA-N 0 3 351.516 2.170 20 10 FECDHN C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000756443485 680478962 /nfs/dbraw/zinc/47/89/62/680478962.db2.gz HWPWKSPZVSUCLT-CYBMUJFWSA-N 0 3 352.431 2.302 20 10 FECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])[C@H]1OC ZINC000775978420 681354501 /nfs/dbraw/zinc/35/45/01/681354501.db2.gz LJIIEADLGKFJES-NJZAAPMLSA-N 0 3 360.248 2.445 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCN(C)C2=O)c1[O-] ZINC000848531257 681572556 /nfs/dbraw/zinc/57/25/56/681572556.db2.gz MWSRFCOYSYBMBV-CABZTGNLSA-N 0 3 357.248 2.435 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCNC2=O)c1[O-] ZINC000848552361 681576309 /nfs/dbraw/zinc/57/63/09/681576309.db2.gz LDJSFVQWVGKXSP-VHSXEESVSA-N 0 3 357.248 2.340 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)c1[O-] ZINC000848549796 681576352 /nfs/dbraw/zinc/57/63/52/681576352.db2.gz UNTMFTRLSUZTOS-SDDRHHMPSA-N 0 3 374.275 2.459 20 10 FECDHN C[C@H](NC(=S)NC1CCN(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000920863976 683374684 /nfs/dbraw/zinc/37/46/84/683374684.db2.gz GGDORKQQENGZOR-HNNXBMFYSA-N 0 3 362.543 2.143 20 10 FECDHN O=C1C[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCCN1 ZINC000877033894 686315311 /nfs/dbraw/zinc/31/53/11/686315311.db2.gz QWRFWEPVQFDTHV-HZPDHXFCSA-N 0 3 351.878 2.268 20 10 FECDHN Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650837 686879649 /nfs/dbraw/zinc/87/96/49/686879649.db2.gz SNBITEJMOCLJOO-LBPRGKRZSA-N 0 3 351.472 2.101 20 10 FECDHN COc1ccc(CN[C@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1OC ZINC000893210130 689313747 /nfs/dbraw/zinc/31/37/47/689313747.db2.gz XPMFHXHIQAGLTO-NSHDSACASA-N 0 3 362.348 2.052 20 10 FECDHN COC(=O)[C@@H]1[C@H](CN[C@@H](C)c2ccc(N3CCOCC3)cc2)C1(F)F ZINC000894208796 689486894 /nfs/dbraw/zinc/48/68/94/689486894.db2.gz LNSJKAUMTBNFKD-RCBQFDQVSA-N 0 3 354.397 2.228 20 10 FECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)c1[O-] ZINC000897346582 690009894 /nfs/dbraw/zinc/00/98/94/690009894.db2.gz XATDWNAOGCCZPD-GFCCVEGCSA-N 0 3 351.248 2.239 20 10 FECDHN Cc1cc(CNC(=S)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000899724320 690413425 /nfs/dbraw/zinc/41/34/25/690413425.db2.gz MOONZAPUMVXJKJ-KRWDZBQOSA-N 0 3 361.515 2.316 20 10 FECDHN Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093454657 542931231 /nfs/dbraw/zinc/93/12/31/542931231.db2.gz AYLQYEDFOZZDMC-HXUWFJFHSA-N 0 3 370.497 2.202 20 10 FECDHN CN(C[C@H]1CCCN(C)C1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000115439775 543567324 /nfs/dbraw/zinc/56/73/24/543567324.db2.gz GLXNOYBSCNTHSZ-VQFGERMISA-N 0 3 357.498 2.337 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000134934376 544328565 /nfs/dbraw/zinc/32/85/65/544328565.db2.gz HVGDNNVRYWKKCO-WIYYLYMNSA-N 0 3 370.541 2.318 20 10 FECDHN CCN1CCN(C(=O)CC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)CC1 ZINC000180088112 547050104 /nfs/dbraw/zinc/05/01/04/547050104.db2.gz ARZLPYGZMZMNKY-UHFFFAOYSA-N 0 3 363.477 2.298 20 10 FECDHN COc1cc(O)c(CN2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1OC ZINC000180727862 547168299 /nfs/dbraw/zinc/16/82/99/547168299.db2.gz VSFXBVPPKJFIKL-SCLBCKFNSA-N 0 3 361.442 2.089 20 10 FECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1OC ZINC000180727862 547168302 /nfs/dbraw/zinc/16/83/02/547168302.db2.gz VSFXBVPPKJFIKL-SCLBCKFNSA-N 0 3 361.442 2.089 20 10 FECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1OC ZINC000180727862 547168306 /nfs/dbraw/zinc/16/83/06/547168306.db2.gz VSFXBVPPKJFIKL-SCLBCKFNSA-N 0 3 361.442 2.089 20 10 FECDHN CN(C)CCOc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000181028260 547233350 /nfs/dbraw/zinc/23/33/50/547233350.db2.gz RNVLEQMYCHNIMJ-UXBLZVDNSA-N 0 3 356.422 2.368 20 10 FECDHN C[C@@H](CS(C)(=O)=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000183045777 547591478 /nfs/dbraw/zinc/59/14/78/547591478.db2.gz AHBZCQITCYTDRW-QWHCGFSZSA-N 0 3 362.442 2.280 20 10 FECDHN O=C1[C@H](NCc2cc3c(cc2O)OCO3)CCN1Cc1ccc(F)cc1 ZINC000191758607 548350277 /nfs/dbraw/zinc/35/02/77/548350277.db2.gz CTMOWCQWODEBAB-OAHLLOKOSA-N 0 3 358.369 2.151 20 10 FECDHN CC(C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000264904038 550003615 /nfs/dbraw/zinc/00/36/15/550003615.db2.gz OCUJHASINZHREP-AWEZNQCLSA-N 0 3 364.467 2.308 20 10 FECDHN COc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1[O-] ZINC000265826179 550014540 /nfs/dbraw/zinc/01/45/40/550014540.db2.gz YXWYUVOGCIYJDT-RBUKOAKNSA-N 0 3 356.466 2.373 20 10 FECDHN COc1cc(N2CCN(CCn3ccnc3C)CC2)cc(OC)c1OC ZINC000273611990 550505168 /nfs/dbraw/zinc/50/51/68/550505168.db2.gz OCDZLLOWOIKBBG-UHFFFAOYSA-N 0 3 360.458 2.040 20 10 FECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1[O-] ZINC000275313818 550571537 /nfs/dbraw/zinc/57/15/37/550571537.db2.gz JSWZOOOMUTYDAW-GXTWGEPZSA-N 0 3 356.308 2.360 20 10 FECDHN CCOc1ccc([O-])c(C[NH2+]CC2(N3CCOCC3)CC(OCC)C2)c1 ZINC000277677123 550700498 /nfs/dbraw/zinc/70/04/98/550700498.db2.gz IWBWLXMTOCWOOX-UHFFFAOYSA-N 0 3 364.486 2.150 20 10 FECDHN COc1ccc(N2CCN(CCNCc3ccnn3C(C)C)CC2)cc1 ZINC000279815293 550932141 /nfs/dbraw/zinc/93/21/41/550932141.db2.gz FZUHTJHAFLTZOX-UHFFFAOYSA-N 0 3 357.502 2.384 20 10 FECDHN C[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000286868375 551935013 /nfs/dbraw/zinc/93/50/13/551935013.db2.gz BNVOHVMAYRXURA-GJZGRUSLSA-N 0 3 370.490 2.138 20 10 FECDHN CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289543699 552338291 /nfs/dbraw/zinc/33/82/91/552338291.db2.gz WZFKGQZUCIMBML-UHFFFAOYSA-N 0 3 370.881 2.412 20 10 FECDHN CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289543699 552338292 /nfs/dbraw/zinc/33/82/92/552338292.db2.gz WZFKGQZUCIMBML-UHFFFAOYSA-N 0 3 370.881 2.412 20 10 FECDHN COc1ccc([O-])c(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000290368026 552467941 /nfs/dbraw/zinc/46/79/41/552467941.db2.gz HFTKFJUUCVTXDN-PXNSSMCTSA-N 0 3 356.466 2.373 20 10 FECDHN COc1cc(O)c(CN[C@H]2CC(=O)N(c3ccccc3F)C2)cc1OC ZINC000291198924 552598947 /nfs/dbraw/zinc/59/89/47/552598947.db2.gz HJYCBELRKYFNBH-ZDUSSCGKSA-N 0 3 360.385 2.444 20 10 FECDHN C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360078396 554862096 /nfs/dbraw/zinc/86/20/96/554862096.db2.gz HXILEPZRDVBMTN-DOTOQJQBSA-N 0 3 373.476 2.325 20 10 FECDHN C[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(N2CCOCC2)cc1 ZINC000363836979 555196488 /nfs/dbraw/zinc/19/64/88/555196488.db2.gz ZEXUOLHBOQLXTD-OXQOHEQNSA-N 0 3 370.497 2.440 20 10 FECDHN Cc1ccc(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)c(O)c1O ZINC000365007655 555463356 /nfs/dbraw/zinc/46/33/56/555463356.db2.gz AYSJSBLRGQIMGW-INIZCTEOSA-N 0 3 355.438 2.443 20 10 FECDHN CC(C)N1C(=O)N[C@@]2(CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)C1=O ZINC000366529173 555869141 /nfs/dbraw/zinc/86/91/41/555869141.db2.gz NTIOQIJWXLAOIP-HXUWFJFHSA-N 0 3 353.422 2.450 20 10 FECDHN CC(C)N1C(=O)N[C@@]2(CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)C1=O ZINC000366529173 555869143 /nfs/dbraw/zinc/86/91/43/555869143.db2.gz NTIOQIJWXLAOIP-HXUWFJFHSA-N 0 3 353.422 2.450 20 10 FECDHN O=C(NC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1)C1CCC1 ZINC000367422749 556044304 /nfs/dbraw/zinc/04/43/04/556044304.db2.gz MVKTVJZVNKVHQZ-UHFFFAOYSA-N 0 3 357.498 2.404 20 10 FECDHN OCC1([C@@H](NCc2ccc(N3CCOCC3)cc2)[C@H]2CCCO2)CCC1 ZINC000367960151 556182441 /nfs/dbraw/zinc/18/24/41/556182441.db2.gz XIIOTMICVUNNHV-UXHICEINSA-N 0 3 360.498 2.323 20 10 FECDHN CCc1nc(CN2C[C@@H]3C[N@H+]([C@@H](C)c4cc(OC)ccc4[O-])C[C@@H]3C2)no1 ZINC000368017603 556196499 /nfs/dbraw/zinc/19/64/99/556196499.db2.gz HVUZCFXKTQLQDE-SOUVJXGZSA-N 0 3 372.469 2.471 20 10 FECDHN CCc1nc(CN2C[C@@H]3C[N@@H+]([C@@H](C)c4cc(OC)ccc4[O-])C[C@@H]3C2)no1 ZINC000368017603 556196501 /nfs/dbraw/zinc/19/65/01/556196501.db2.gz HVUZCFXKTQLQDE-SOUVJXGZSA-N 0 3 372.469 2.471 20 10 FECDHN COc1cc(O)c(CN2CCC(OC[C@@H]3CCOC3)CC2)cc1OC ZINC000368268708 556264265 /nfs/dbraw/zinc/26/42/65/556264265.db2.gz ZWBPWWGAOZLOFI-CQSZACIVSA-N 0 3 351.443 2.427 20 10 FECDHN c1cc(N2CCOCC2)ccc1CN1CCC(c2nnc3n2CCC3)CC1 ZINC000369410568 556594402 /nfs/dbraw/zinc/59/44/02/556594402.db2.gz XRWXQNWIKZPXTK-UHFFFAOYSA-N 0 3 367.497 2.441 20 10 FECDHN Cc1occc1C(=O)N1CCC([NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000370773086 556963486 /nfs/dbraw/zinc/96/34/86/556963486.db2.gz MBVFPAWYPFPKIX-UHFFFAOYSA-N 0 3 358.394 2.417 20 10 FECDHN CCc1nc(CN2CCC[C@@H]([N@H+](C)Cc3cc(OC)ccc3[O-])C2)no1 ZINC000374999756 557961914 /nfs/dbraw/zinc/96/19/14/557961914.db2.gz RWSVJAXMMLWSGJ-OAHLLOKOSA-N 0 3 360.458 2.443 20 10 FECDHN CCc1nc(CN2CCC[C@@H]([N@@H+](C)Cc3cc(OC)ccc3[O-])C2)no1 ZINC000374999756 557961917 /nfs/dbraw/zinc/96/19/17/557961917.db2.gz RWSVJAXMMLWSGJ-OAHLLOKOSA-N 0 3 360.458 2.443 20 10 FECDHN C[C@H](N[C@H]1CCN(c2ccn(C)n2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000375845471 558088415 /nfs/dbraw/zinc/08/84/15/558088415.db2.gz BOGVYUKRRLNPOM-RDJZCZTQSA-N 0 3 373.476 2.325 20 10 FECDHN CCOc1cccc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1[O-] ZINC000377965040 558453615 /nfs/dbraw/zinc/45/36/15/558453615.db2.gz XBKARTZTIFALHN-UHFFFAOYSA-N 0 3 368.499 2.227 20 10 FECDHN C[C@@H]1CN(C(=O)C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)C[C@@H](C)O1 ZINC000378498452 558570245 /nfs/dbraw/zinc/57/02/45/558570245.db2.gz SCQBOWCITYTCBF-ZIAGYGMSSA-N 0 3 350.434 2.379 20 10 FECDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H](C)N(C)C)C1 ZINC000412393315 559032960 /nfs/dbraw/zinc/03/29/60/559032960.db2.gz HAHQQVVLAWXEBY-INIZCTEOSA-N 0 3 356.514 2.474 20 10 FECDHN COc1cc(O)c(CNc2ccc(C(=O)NCCN(C)C)cc2)cc1OC ZINC000529645357 562380063 /nfs/dbraw/zinc/38/00/63/562380063.db2.gz SYZHFFRSIROXDH-UHFFFAOYSA-N 0 3 373.453 2.313 20 10 FECDHN C[N@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)Cc1ccccc1O ZINC000736791249 598617896 /nfs/dbraw/zinc/61/78/96/598617896.db2.gz BTZINAWTJGZBQZ-UHFFFAOYSA-N 0 3 358.427 2.094 20 10 FECDHN C[N@@H+](CCC(=O)Nc1sccc1-c1nnn[n-]1)Cc1ccccc1O ZINC000736791249 598617897 /nfs/dbraw/zinc/61/78/97/598617897.db2.gz BTZINAWTJGZBQZ-UHFFFAOYSA-N 0 3 358.427 2.094 20 10 FECDHN CCN(Cc1ccccc1)c1ccc(CNCCNS(C)(=O)=O)cc1 ZINC000051188443 670293280 /nfs/dbraw/zinc/29/32/80/670293280.db2.gz BAAVWNLKIFHIMX-UHFFFAOYSA-N 0 3 361.511 2.352 20 10 FECDHN C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825536801 675658054 /nfs/dbraw/zinc/65/80/54/675658054.db2.gz NJDKJJUYFCQAME-ZDUSSCGKSA-N 0 3 356.308 2.270 20 10 FECDHN COC(=O)N(C)CCN(C)Cc1cc(Br)cc(OC)c1O ZINC000827335758 675748897 /nfs/dbraw/zinc/74/88/97/675748897.db2.gz YDEOQWAHJALUDF-UHFFFAOYSA-N 0 3 361.236 2.293 20 10 FECDHN CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000866456942 684106872 /nfs/dbraw/zinc/10/68/72/684106872.db2.gz FUCZLJUEDOPFHV-JTQLQIEISA-N 0 3 365.293 2.053 20 10 FECDHN NC(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000830656606 677052665 /nfs/dbraw/zinc/05/26/65/677052665.db2.gz CGVSXCZGUJDNKP-CABZTGNLSA-N 0 3 367.318 2.263 20 10 FECDHN CCS(=O)(=O)CCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000840891439 680849842 /nfs/dbraw/zinc/84/98/42/680849842.db2.gz SXHSKVSKCUBEIH-AWEZNQCLSA-N 0 3 358.479 2.138 20 10 FECDHN O[C@@H]1COC[C@H]1NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000842212122 680933027 /nfs/dbraw/zinc/93/30/27/680933027.db2.gz LYTXJEUSVYCTAG-GDBMZVCRSA-N 0 3 355.276 2.289 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1[O-] ZINC000846075050 681179167 /nfs/dbraw/zinc/17/91/67/681179167.db2.gz KWABPSFICHCVID-JTQLQIEISA-N 0 3 369.259 2.264 20 10 FECDHN Cc1cc(Br)cc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000775676546 681323669 /nfs/dbraw/zinc/32/36/69/681323669.db2.gz TWQHFXADVCYTIV-CVEARBPZSA-N 0 3 369.303 2.494 20 10 FECDHN Cc1cc(Br)cc(C[NH2+]CC(=O)NCc2ccco2)c1[O-] ZINC000775928315 681349232 /nfs/dbraw/zinc/34/92/32/681349232.db2.gz LQIRLQVMPWBTFL-UHFFFAOYSA-N 0 3 353.216 2.462 20 10 FECDHN Cc1cc(Br)cc(CNCC(=O)NCc2ccco2)c1O ZINC000775928315 681349236 /nfs/dbraw/zinc/34/92/36/681349236.db2.gz LQIRLQVMPWBTFL-UHFFFAOYSA-N 0 3 353.216 2.462 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1[O-] ZINC000848528723 681571997 /nfs/dbraw/zinc/57/19/97/681571997.db2.gz NSTRKAOBKKRUFR-GXSJLCMTSA-N 0 3 357.248 2.435 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000848529464 681572202 /nfs/dbraw/zinc/57/22/02/681572202.db2.gz NWXDCUISQOHSPD-NOZJJQNGSA-N 0 3 370.247 2.281 20 10 FECDHN CCN1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2[O-])CC1=O ZINC000848553373 681576971 /nfs/dbraw/zinc/57/69/71/681576971.db2.gz KXCKJSLKNSSPKC-GXSJLCMTSA-N 0 3 357.248 2.435 20 10 FECDHN CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000851714721 682109509 /nfs/dbraw/zinc/10/95/09/682109509.db2.gz USDQFPUCOPOUTP-QGZVFWFLSA-N 0 3 372.402 2.402 20 10 FECDHN COc1cc(Br)cc(CN[C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000858343110 682959215 /nfs/dbraw/zinc/95/92/15/682959215.db2.gz SSJURBXVZKSPCT-CYBMUJFWSA-N 0 3 369.259 2.406 20 10 FECDHN COC(=O)[C@]1(OC)CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000862475235 683593813 /nfs/dbraw/zinc/59/38/13/683593813.db2.gz DIQJDUJAKMOMRQ-IBGZPJMESA-N 0 3 351.443 2.462 20 10 FECDHN COc1ccc(N2CCN(CC(C)(C)N3CCOCC3)CC2)cc1F ZINC000876807186 686273195 /nfs/dbraw/zinc/27/31/95/686273195.db2.gz YONVFSSUGATASI-UHFFFAOYSA-N 0 3 351.466 2.067 20 10 FECDHN COC(=O)/C=C1/SCC(=O)N1CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650553 686879462 /nfs/dbraw/zinc/87/94/62/686879462.db2.gz GZUUFTUXZNXFKV-SEJMYLSOSA-N 0 3 350.440 2.023 20 10 FECDHN CC(C)[NH+]1CCN(CCCC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890761462 688962992 /nfs/dbraw/zinc/96/29/92/688962992.db2.gz STJHCJUHZSHHCF-UHFFFAOYSA-N 0 3 353.894 2.468 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCSC2)N(C)C)cc1 ZINC000894509267 689544266 /nfs/dbraw/zinc/54/42/66/689544266.db2.gz BBFNLYGSLKOIHB-PBHICJAKSA-N 0 3 350.532 2.408 20 10 FECDHN C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1csnn1 ZINC000895375689 689705525 /nfs/dbraw/zinc/70/55/25/689705525.db2.gz BEGVLAVZLYREDO-BLLLJJGKSA-N 0 3 362.503 2.267 20 10 FECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)cc1Cl ZINC000895686937 689754987 /nfs/dbraw/zinc/75/49/87/689754987.db2.gz WOPGPPXVWACIES-QGZVFWFLSA-N 0 3 367.921 2.240 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C2CC(CC(N)=O)C2)c1[O-] ZINC000903253061 690875999 /nfs/dbraw/zinc/87/59/99/690875999.db2.gz HZLRHSHOOXEILJ-FKTRJACZSA-N 0 3 357.248 2.468 20 10 FECDHN CCOc1cccc(CN2CCC(N(CC)S(C)(=O)=O)CC2)c1O ZINC000093320653 542925939 /nfs/dbraw/zinc/92/59/39/542925939.db2.gz DITVBAFHXRCPEZ-UHFFFAOYSA-N 0 3 356.488 2.037 20 10 FECDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC1CCN(C2CC2)CC1 ZINC000108769976 543302051 /nfs/dbraw/zinc/30/20/51/543302051.db2.gz CNEJYLPPOBAMNZ-FPYGCLRLSA-N 0 3 355.482 2.279 20 10 FECDHN CN(C(=O)Cc1ccc(N)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000166553054 546157661 /nfs/dbraw/zinc/15/76/61/546157661.db2.gz KIGWDMRBXXOOCG-UHFFFAOYSA-N 0 3 352.482 2.372 20 10 FECDHN COc1ccc(O)c(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000179882584 547023651 /nfs/dbraw/zinc/02/36/51/547023651.db2.gz LRRVIRRGFXQANZ-GFCCVEGCSA-N 0 3 350.440 2.241 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c([O-])c1 ZINC000179893705 547025999 /nfs/dbraw/zinc/02/59/99/547025999.db2.gz QAPOTGGVCKGZPJ-QGZVFWFLSA-N 0 3 362.470 2.252 20 10 FECDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c([O-])c1 ZINC000179893705 547026002 /nfs/dbraw/zinc/02/60/02/547026002.db2.gz QAPOTGGVCKGZPJ-QGZVFWFLSA-N 0 3 362.470 2.252 20 10 FECDHN CN(C)CCOc1ccccc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180993641 547225652 /nfs/dbraw/zinc/22/56/52/547225652.db2.gz KWUDHPZYHLNZIP-CSKARUKUSA-N 0 3 356.422 2.368 20 10 FECDHN Cc1cc(Br)cc(CN2CCC(N3CCNC3=O)CC2)c1O ZINC000183388312 547648619 /nfs/dbraw/zinc/64/86/19/547648619.db2.gz UZKBISGDBJDLHS-UHFFFAOYSA-N 0 3 368.275 2.453 20 10 FECDHN O=C([C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-])N1CCOCC1 ZINC000184977949 547911178 /nfs/dbraw/zinc/91/11/78/547911178.db2.gz ZAUTZYNPHDEEJO-SFHVURJKSA-N 0 3 358.413 2.091 20 10 FECDHN CCOc1cccc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1[O-] ZINC000236901540 548788323 /nfs/dbraw/zinc/78/83/23/548788323.db2.gz FZSZREGBSWRRMW-LJQANCHMSA-N 0 3 356.466 2.300 20 10 FECDHN COc1cc(CNC(=O)Cc2ccc(N)cc2)ccc1OCCN(C)C ZINC000237344800 548819463 /nfs/dbraw/zinc/81/94/63/548819463.db2.gz DPVGFEAYGKZLQG-UHFFFAOYSA-N 0 3 357.454 2.077 20 10 FECDHN COc1cc(O)c(CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000245608185 548957301 /nfs/dbraw/zinc/95/73/01/548957301.db2.gz ACYXHKRKNQRQQJ-YQQAZPJKSA-N 0 3 364.486 2.483 20 10 FECDHN NC(=O)[C@H]1CCCN1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000264639051 549998976 /nfs/dbraw/zinc/99/89/76/549998976.db2.gz VKRCOXFBJQUYDU-LJQANCHMSA-N 0 3 353.466 2.489 20 10 FECDHN CCCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(C)C)CC2)c([O-])c1 ZINC000266163050 550017795 /nfs/dbraw/zinc/01/77/95/550017795.db2.gz JAJMHCCZUZTSIP-UHFFFAOYSA-N 0 3 370.515 2.473 20 10 FECDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000268165388 550037015 /nfs/dbraw/zinc/03/70/15/550037015.db2.gz PMNWRBWZVQYLPU-OXJNMPFZSA-N 0 3 372.513 2.147 20 10 FECDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000268197470 550037899 /nfs/dbraw/zinc/03/78/99/550037899.db2.gz NZHXABINNPQSBF-NWTWXJSOSA-N 0 3 355.482 2.135 20 10 FECDHN CCOc1ccc([O-])c(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1 ZINC000276905508 550609286 /nfs/dbraw/zinc/60/92/86/550609286.db2.gz IKZOPNBANZBDIG-UHFFFAOYSA-N 0 3 370.515 2.473 20 10 FECDHN C[C@@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000280972312 551050714 /nfs/dbraw/zinc/05/07/14/551050714.db2.gz LJRRETPUONNAMC-CQSZACIVSA-N 0 3 370.490 2.280 20 10 FECDHN Cc1cc(Br)cc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O ZINC000281179570 551071508 /nfs/dbraw/zinc/07/15/08/551071508.db2.gz HOFPZPORYOCLAP-YPMHNXCESA-N 0 3 355.232 2.393 20 10 FECDHN CCN1CCC(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000283301921 551344559 /nfs/dbraw/zinc/34/45/59/551344559.db2.gz DWBJGCWKGHOGKH-UHFFFAOYSA-N 0 3 374.529 2.090 20 10 FECDHN CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289262661 552291064 /nfs/dbraw/zinc/29/10/64/552291064.db2.gz FUPORVHAPVNIQN-XLIONFOSSA-N 0 3 358.486 2.485 20 10 FECDHN CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289262661 552291067 /nfs/dbraw/zinc/29/10/67/552291067.db2.gz FUPORVHAPVNIQN-XLIONFOSSA-N 0 3 358.486 2.485 20 10 FECDHN COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC1CC[NH+](C)CC1 ZINC000291717238 552654465 /nfs/dbraw/zinc/65/44/65/552654465.db2.gz QMNDBFBZZCSYHR-UHFFFAOYSA-N 0 3 368.861 2.279 20 10 FECDHN CC(C)(C)CCN1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301681757 553671423 /nfs/dbraw/zinc/67/14/23/553671423.db2.gz JZXVJSMLUMWSTM-UHFFFAOYSA-N 0 3 362.430 2.484 20 10 FECDHN COc1cccc(CNC(=O)c2cnn(CCN3CCCCC3)c2)c1O ZINC000362884287 554995797 /nfs/dbraw/zinc/99/57/97/554995797.db2.gz IHJCHWKXTAGJMK-UHFFFAOYSA-N 0 3 358.442 2.013 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000363867385 555202688 /nfs/dbraw/zinc/20/26/88/555202688.db2.gz QEZPLLXGJFWAJF-NFOMZHRRSA-N 0 3 368.499 2.398 20 10 FECDHN CN1CCC([NH+]2CCC(CCNC(=O)c3cccc(O)c3[O-])CC2)CC1 ZINC000365311697 555538951 /nfs/dbraw/zinc/53/89/51/555538951.db2.gz DJZYNHXVEBJHSH-UHFFFAOYSA-N 0 3 361.486 2.024 20 10 FECDHN CC(C)N1C(=O)N[C@]2(CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)C1=O ZINC000366529172 555868981 /nfs/dbraw/zinc/86/89/81/555868981.db2.gz NTIOQIJWXLAOIP-FQEVSTJZSA-N 0 3 353.422 2.450 20 10 FECDHN CC(C)N1C(=O)N[C@]2(CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)C1=O ZINC000366529172 555868986 /nfs/dbraw/zinc/86/89/86/555868986.db2.gz NTIOQIJWXLAOIP-FQEVSTJZSA-N 0 3 353.422 2.450 20 10 FECDHN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000368049630 556204032 /nfs/dbraw/zinc/20/40/32/556204032.db2.gz XCIZAZSTNKIBBB-QYVUUFRMSA-N 0 3 350.418 2.358 20 10 FECDHN C[C@@H](N[C@H]1CCN(c2ccn(C)n2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000368318983 556276680 /nfs/dbraw/zinc/27/66/80/556276680.db2.gz OXFYLZYOCIIBIS-DYVFJYSZSA-N 0 3 354.454 2.461 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c1[O-] ZINC000370261134 556823782 /nfs/dbraw/zinc/82/37/82/556823782.db2.gz LMWGPVSSVRDQFP-IUODEOHRSA-N 0 3 369.259 2.310 20 10 FECDHN CN(C)CCNC(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000371258302 557121880 /nfs/dbraw/zinc/12/18/80/557121880.db2.gz NAHFLWKTANMTIR-ZDUSSCGKSA-N 0 3 374.407 2.272 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1[O-] ZINC000371300943 557137180 /nfs/dbraw/zinc/13/71/80/557137180.db2.gz RLMJMMRYYLGHBM-RYQLBKOJSA-N 0 3 350.434 2.417 20 10 FECDHN CN(C)c1ccc(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821589406 599450652 /nfs/dbraw/zinc/45/06/52/599450652.db2.gz METWZGFVXXXWML-UHFFFAOYSA-N 0 3 356.405 2.240 20 10 FECDHN CCOC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])o1 ZINC000809742818 674508269 /nfs/dbraw/zinc/50/82/69/674508269.db2.gz FUVQVUNJFRVJJG-UHFFFAOYSA-N 0 3 350.327 2.369 20 10 FECDHN CCOc1ccc(O)c(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000809785318 674509917 /nfs/dbraw/zinc/50/99/17/674509917.db2.gz VFQVFNNTJLTRHE-CQSZACIVSA-N 0 3 368.499 2.085 20 10 FECDHN COCCN(C)CCOc1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000732285076 673361842 /nfs/dbraw/zinc/36/18/42/673361842.db2.gz QBVJIPBYYNSXQE-UHFFFAOYSA-N 0 3 364.467 2.341 20 10 FECDHN CC(C)C[C@@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000827365410 675751168 /nfs/dbraw/zinc/75/11/68/675751168.db2.gz ROKRMVLUAAFBMP-JKIFEVAISA-N 0 3 351.466 2.429 20 10 FECDHN COCCS(=O)(=O)c1ccc(CNCc2ccc(N(C)C)cc2)cc1 ZINC000758502768 680587533 /nfs/dbraw/zinc/58/75/33/680587533.db2.gz SSGURHJRKXOAQK-UHFFFAOYSA-N 0 3 362.495 2.463 20 10 FECDHN CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000759172826 680633034 /nfs/dbraw/zinc/63/30/34/680633034.db2.gz IYEMJBCPWNYEFM-JSGCOSHPSA-N 0 3 360.248 2.447 20 10 FECDHN CCOc1ccc(CN2CCC(N(CC)S(C)(=O)=O)CC2)c(O)c1 ZINC000769388830 680980546 /nfs/dbraw/zinc/98/05/46/680980546.db2.gz IFIILQDOZDYCSL-UHFFFAOYSA-N 0 3 356.488 2.037 20 10 FECDHN CC(=O)c1cc(Cl)cc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1[O-] ZINC000843387169 681000835 /nfs/dbraw/zinc/00/08/35/681000835.db2.gz FNPOFUUXCIKENA-AWEZNQCLSA-N 0 3 352.862 2.436 20 10 FECDHN C[C@H]1CN(c2ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc2F)C[C@H](C)O1 ZINC000844173435 681043087 /nfs/dbraw/zinc/04/30/87/681043087.db2.gz BFGGYASFFRZGRA-GDZNZVCISA-N 0 3 351.466 2.429 20 10 FECDHN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000776810558 681438208 /nfs/dbraw/zinc/43/82/08/681438208.db2.gz ZKNANAMKRCOSCA-STQMWFEESA-N 0 3 350.415 2.468 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1[O-] ZINC000848535206 681573339 /nfs/dbraw/zinc/57/33/39/681573339.db2.gz BMCDMGPMYQQERV-BDAKNGLRSA-N 0 3 366.277 2.247 20 10 FECDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@H]3CCN(S(C)(=O)=O)C3)c2c1 ZINC000793565816 682895866 /nfs/dbraw/zinc/89/58/66/682895866.db2.gz FPOIXTJIHLSQLT-AWEZNQCLSA-N 0 3 364.467 2.020 20 10 FECDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@H]3CCN(S(C)(=O)=O)C3)c2c1 ZINC000793565816 682895869 /nfs/dbraw/zinc/89/58/69/682895869.db2.gz FPOIXTJIHLSQLT-AWEZNQCLSA-N 0 3 364.467 2.020 20 10 FECDHN COc1ccc(N2CCCN(C(=S)NC3CCN(C)CC3)CC2)cc1 ZINC000920310788 683333301 /nfs/dbraw/zinc/33/33/01/683333301.db2.gz FPSWGKFFNATBHV-UHFFFAOYSA-N 0 3 362.543 2.176 20 10 FECDHN COc1c([O-])c(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645086 683756760 /nfs/dbraw/zinc/75/67/60/683756760.db2.gz AXANTGZNGTUDNC-GHMZBOCLSA-N 0 3 363.336 2.268 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CC2CC3(C2)OCCO3)c1[O-] ZINC000922800039 683785800 /nfs/dbraw/zinc/78/58/00/683785800.db2.gz UGVDQGBVOHYBNV-UHFFFAOYSA-N 0 3 358.232 2.406 20 10 FECDHN Cc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c([O-])c1 ZINC000877622618 686424355 /nfs/dbraw/zinc/42/43/55/686424355.db2.gz RHCFMZJIZBQRTB-UHFFFAOYSA-N 0 3 364.243 2.378 20 10 FECDHN C[C@H](CO)CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893875717 689421966 /nfs/dbraw/zinc/42/19/66/689421966.db2.gz PJETWKKQZGSRCC-MAUKXSAKSA-N 0 3 350.507 2.063 20 10 FECDHN COC(=O)c1c(CN[C@H](C)[C@H](CO)SC)c2cc(F)ccc2n1C ZINC000894279812 689499371 /nfs/dbraw/zinc/49/93/71/689499371.db2.gz AJVRPEKXTWROQY-BMIGLBTASA-N 0 3 354.447 2.306 20 10 FECDHN C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1csnn1 ZINC000895375693 689705491 /nfs/dbraw/zinc/70/54/91/689705491.db2.gz BEGVLAVZLYREDO-MLGOLLRUSA-N 0 3 362.503 2.267 20 10 FECDHN Fc1cc(CN2CCC3(CC2)COCCO3)ccc1N1CCOCC1 ZINC000895695966 689755852 /nfs/dbraw/zinc/75/58/52/689755852.db2.gz KLPPYMNLRXKZIU-UHFFFAOYSA-N 0 3 350.434 2.044 20 10 FECDHN COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1[O-] ZINC000896386001 689866761 /nfs/dbraw/zinc/86/67/61/689866761.db2.gz WJNNYKDIMSOGCS-SNVBAGLBSA-N 0 3 358.232 2.358 20 10 FECDHN COc1cc(Br)cc(C[N@H+]2CC[C@@H](C3OCCO3)C2)c1[O-] ZINC000896386001 689866764 /nfs/dbraw/zinc/86/67/64/689866764.db2.gz WJNNYKDIMSOGCS-SNVBAGLBSA-N 0 3 358.232 2.358 20 10 FECDHN CC(C)N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000067592088 541485668 /nfs/dbraw/zinc/48/56/68/541485668.db2.gz MDECIXHZJOYGAC-HUUCEWRRSA-N 0 3 351.466 2.396 20 10 FECDHN Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000328628859 132371610 /nfs/dbraw/zinc/37/16/10/132371610.db2.gz HQYQQBMLAULMOX-QUCCMNQESA-N 0 3 369.469 2.207 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CCN(C3CCCCC3)CC2)cc1 ZINC000141822301 544414496 /nfs/dbraw/zinc/41/44/96/544414496.db2.gz IBASQHSAPDHCQT-UHFFFAOYSA-N 0 3 358.530 2.319 20 10 FECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000157064055 545696520 /nfs/dbraw/zinc/69/65/20/545696520.db2.gz YMGVMISZCSRLBX-HNNXBMFYSA-N 0 3 362.470 2.404 20 10 FECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000157064055 545696525 /nfs/dbraw/zinc/69/65/25/545696525.db2.gz YMGVMISZCSRLBX-HNNXBMFYSA-N 0 3 362.470 2.404 20 10 FECDHN COc1ccc(N2CCCN(C(=O)C3(N)Cc4ccccc4C3)CC2)cc1 ZINC000178724326 546839436 /nfs/dbraw/zinc/83/94/36/546839436.db2.gz QXWFYVCQXHSAGF-UHFFFAOYSA-N 0 3 365.477 2.230 20 10 FECDHN C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1cc(F)ccc1[O-] ZINC000184981100 547911200 /nfs/dbraw/zinc/91/12/00/547911200.db2.gz KOWNPODNZOXLMW-HNNXBMFYSA-N 0 3 359.449 2.184 20 10 FECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c1 ZINC000184980774 547911226 /nfs/dbraw/zinc/91/12/26/547911226.db2.gz MUSWTFDHMUPMRR-QGZVFWFLSA-N 0 3 355.486 2.354 20 10 FECDHN COc1ccc(O)c([C@@H](C)NCCN(C)S(=O)(=O)c2cccs2)c1 ZINC000186141249 548090451 /nfs/dbraw/zinc/09/04/51/548090451.db2.gz OOUAZVYJXAUVIH-GFCCVEGCSA-N 0 3 370.496 2.434 20 10 FECDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000186147459 548091826 /nfs/dbraw/zinc/09/18/26/548091826.db2.gz LYIZAIWOFGFIDK-MRXNPFEDSA-N 0 3 374.529 2.096 20 10 FECDHN Cc1ccc(CN2CC[C@@H](NCc3cc4c(cc3O)OCO4)C2=O)cc1 ZINC000191797626 548351191 /nfs/dbraw/zinc/35/11/91/548351191.db2.gz ZBNFBBBEPLBHEB-MRXNPFEDSA-N 0 3 354.406 2.320 20 10 FECDHN CCOc1cccc(CNCCS(=O)(=O)NCc2ccccc2)c1O ZINC000236932835 548788987 /nfs/dbraw/zinc/78/89/87/548788987.db2.gz KQVRVRBFNDARMD-UHFFFAOYSA-N 0 3 364.467 2.000 20 10 FECDHN COc1cccc(CNC(=O)NCc2ccccc2OCCN(C)C)c1O ZINC000266685815 550022978 /nfs/dbraw/zinc/02/29/78/550022978.db2.gz DKJBUECLUKWNKE-UHFFFAOYSA-N 0 3 373.453 2.341 20 10 FECDHN CCOc1cccc(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1[O-] ZINC000271136148 550343834 /nfs/dbraw/zinc/34/38/34/550343834.db2.gz MRKPFHVBQNZHHX-GOEBONIOSA-N 0 3 350.459 2.154 20 10 FECDHN CCOc1cccc(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1[O-] ZINC000271136148 550343836 /nfs/dbraw/zinc/34/38/36/550343836.db2.gz MRKPFHVBQNZHHX-GOEBONIOSA-N 0 3 350.459 2.154 20 10 FECDHN CCCN(CCC)c1ccc(CN2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000272882721 550475159 /nfs/dbraw/zinc/47/51/59/550475159.db2.gz YAGVOXDKIHXDHD-UHFFFAOYSA-N 0 3 358.486 2.487 20 10 FECDHN CCCN(CCC)c1ccc(C[NH+]2CCC3(CC2)NC(=O)[N-]C3=O)cc1 ZINC000272882721 550475160 /nfs/dbraw/zinc/47/51/60/550475160.db2.gz YAGVOXDKIHXDHD-UHFFFAOYSA-N 0 3 358.486 2.487 20 10 FECDHN CCN(CC)c1ccc(CN2C[C@@H](CO)C[C@H](OCCOC)C2)cc1 ZINC000278748131 550818016 /nfs/dbraw/zinc/81/80/16/550818016.db2.gz RWCBKLOZIXHUGZ-ICSRJNTNSA-N 0 3 350.503 2.379 20 10 FECDHN COc1cccc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1[O-] ZINC000282972795 551291630 /nfs/dbraw/zinc/29/16/30/551291630.db2.gz LMMDAWANPPPHJZ-MRXNPFEDSA-N 0 3 356.422 2.170 20 10 FECDHN COc1ccc(N2CCN(CCCNCc3c(C)cnn3C)CC2)cc1 ZINC000285448965 551758349 /nfs/dbraw/zinc/75/83/49/551758349.db2.gz MACHFLVVTIFOFZ-UHFFFAOYSA-N 0 3 357.502 2.039 20 10 FECDHN C[NH+](C)CCCOc1cnccc1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000288465993 552158237 /nfs/dbraw/zinc/15/82/37/552158237.db2.gz FFUKSWIQTMWHTH-UHFFFAOYSA-N 0 3 360.414 2.316 20 10 FECDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000289250057 552289202 /nfs/dbraw/zinc/28/92/02/552289202.db2.gz FCSXBEVDZSGGOX-INIZCTEOSA-N 0 3 373.497 2.288 20 10 FECDHN COc1cccc(CNCc2c(C)n(C)n(-c3ccccc3)c2=O)c1O ZINC000289415844 552317232 /nfs/dbraw/zinc/31/72/32/552317232.db2.gz IKZXXYJMMMPNLQ-UHFFFAOYSA-N 0 3 353.422 2.488 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c([O-])c1 ZINC000289947852 552404124 /nfs/dbraw/zinc/40/41/24/552404124.db2.gz YPAUSVZNYCPWLC-KUHUBIRLSA-N 0 3 361.442 2.134 20 10 FECDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c([O-])c1 ZINC000289947852 552404125 /nfs/dbraw/zinc/40/41/25/552404125.db2.gz YPAUSVZNYCPWLC-KUHUBIRLSA-N 0 3 361.442 2.134 20 10 FECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCS(=O)(=O)N(C)C)c1[O-] ZINC000290095639 552426666 /nfs/dbraw/zinc/42/66/66/552426666.db2.gz HRPOQOCCVPSPOR-JTQLQIEISA-N 0 3 365.293 2.005 20 10 FECDHN COC1CCN(c2ccc(CN3CCN(C[C@H](C)O)C[C@H]3C)cc2)CC1 ZINC000295653029 553039415 /nfs/dbraw/zinc/03/94/15/553039415.db2.gz DEYQDVHEPVTABK-MSOLQXFVSA-N 0 3 361.530 2.189 20 10 FECDHN COc1ccc(N2CCN(CCCNCc3c(C)n[nH]c3C)CC2)cc1 ZINC000298945345 553493110 /nfs/dbraw/zinc/49/31/10/553493110.db2.gz BHGJUAKHOCORPI-UHFFFAOYSA-N 0 3 357.502 2.337 20 10 FECDHN C[C@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000367698580 556117528 /nfs/dbraw/zinc/11/75/28/556117528.db2.gz QAPCQDKVJYELOE-GOEBONIOSA-N 0 3 351.516 2.360 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1[O-] ZINC000369083891 556500568 /nfs/dbraw/zinc/50/05/68/556500568.db2.gz KRAMUHTULWMBDQ-CQSZACIVSA-N 0 3 371.275 2.116 20 10 FECDHN CCOc1ccc([O-])c(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)c1 ZINC000371371395 557164932 /nfs/dbraw/zinc/16/49/32/557164932.db2.gz BOIZUOZBXXIQDV-UHFFFAOYSA-N 0 3 362.470 2.252 20 10 FECDHN CCOc1ccc(O)c(CN2CCC(CC(=O)N3CCOCC3)CC2)c1 ZINC000371371395 557164936 /nfs/dbraw/zinc/16/49/36/557164936.db2.gz BOIZUOZBXXIQDV-UHFFFAOYSA-N 0 3 362.470 2.252 20 10 FECDHN CCCOc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c([O-])c1 ZINC000372006734 557354289 /nfs/dbraw/zinc/35/42/89/557354289.db2.gz NNOHSLXXYOXXKK-HXUWFJFHSA-N 0 3 364.486 2.152 20 10 FECDHN CCOc1cccc(CN2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c1O ZINC000372037132 557362806 /nfs/dbraw/zinc/36/28/06/557362806.db2.gz KMEPXGJOHOYEKW-CQSZACIVSA-N 0 3 360.414 2.006 20 10 FECDHN CN1CCN(C2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)C(=O)C1 ZINC000374753701 557925891 /nfs/dbraw/zinc/92/58/91/557925891.db2.gz LVOSMOXPARSRQQ-UHFFFAOYSA-N 0 3 370.541 2.415 20 10 FECDHN CC(C)(O)CN1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000375279585 558003492 /nfs/dbraw/zinc/00/34/92/558003492.db2.gz NWPDDMFBMQILCN-UHFFFAOYSA-N 0 3 374.529 2.275 20 10 FECDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)cc1C ZINC000378193509 558499870 /nfs/dbraw/zinc/49/98/70/558499870.db2.gz SRRAUZGJOHXZLK-MRXNPFEDSA-N 0 3 366.469 2.453 20 10 FECDHN CCc1nc(CN2CCC[C@H]([N@H+](C)Cc3cc4c(cc3[O-])OCO4)C2)no1 ZINC000378343181 558534345 /nfs/dbraw/zinc/53/43/45/558534345.db2.gz RQNNHKDATVASDQ-AWEZNQCLSA-N 0 3 374.441 2.163 20 10 FECDHN CCc1nc(CN2CCC[C@H]([N@@H+](C)Cc3cc4c(cc3[O-])OCO4)C2)no1 ZINC000378343181 558534347 /nfs/dbraw/zinc/53/43/47/558534347.db2.gz RQNNHKDATVASDQ-AWEZNQCLSA-N 0 3 374.441 2.163 20 10 FECDHN C[C@@H]([NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1)c1ccccc1[O-] ZINC000378626186 558596773 /nfs/dbraw/zinc/59/67/73/558596773.db2.gz RRZFVQOVEQVOHZ-CABCVRRESA-N 0 3 352.442 2.397 20 10 FECDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000525925208 562259921 /nfs/dbraw/zinc/25/99/21/562259921.db2.gz GFDIEWVSJYIKBC-INIZCTEOSA-N 0 3 371.529 2.312 20 10 FECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c([O-])c1 ZINC000809785414 674509977 /nfs/dbraw/zinc/50/99/77/674509977.db2.gz WHSJBMYPYOWRJZ-CQSZACIVSA-N 0 3 368.499 2.085 20 10 FECDHN CCOc1ccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c([O-])c1 ZINC000809785414 674509979 /nfs/dbraw/zinc/50/99/79/674509979.db2.gz WHSJBMYPYOWRJZ-CQSZACIVSA-N 0 3 368.499 2.085 20 10 FECDHN Cc1cc(CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)ccc1N(C)C ZINC000815116466 674920826 /nfs/dbraw/zinc/92/08/26/674920826.db2.gz ORNCTJISBYCALD-KRWDZBQOSA-N 0 3 353.532 2.164 20 10 FECDHN CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)c([O-])c1 ZINC000725848726 673094143 /nfs/dbraw/zinc/09/41/43/673094143.db2.gz FBQLDYDAGMNVJY-UHFFFAOYSA-N 0 3 364.467 2.167 20 10 FECDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000818360765 675216173 /nfs/dbraw/zinc/21/61/73/675216173.db2.gz CFAPIJFMVPEPPQ-SKDRFNHKSA-N 0 3 355.232 2.261 20 10 FECDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCN2CCCO)c1[O-] ZINC000824563674 675610729 /nfs/dbraw/zinc/61/07/29/675610729.db2.gz AELIDZCBKXDVRU-OAHLLOKOSA-N 0 3 357.292 2.400 20 10 FECDHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCCSc1nccs1 ZINC000829528642 675881840 /nfs/dbraw/zinc/88/18/40/675881840.db2.gz UXTGMMUJMHZBPN-XHBSWPGZSA-N 0 3 355.529 2.274 20 10 FECDHN NCC(=O)N1CCC[C@@H](CN2CCCc3cc(OC(F)F)ccc32)C1 ZINC000841011255 680859406 /nfs/dbraw/zinc/85/94/06/680859406.db2.gz FYVZGPHJKWYCSH-ZDUSSCGKSA-N 0 3 353.413 2.238 20 10 FECDHN COCCNC(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000750037232 680097235 /nfs/dbraw/zinc/09/72/35/680097235.db2.gz XHDDSLFZQLAJHF-UHFFFAOYSA-N 0 3 368.861 2.223 20 10 FECDHN O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834803280 680270285 /nfs/dbraw/zinc/27/02/85/680270285.db2.gz OWQPUEBVCSTLTN-RDJZCZTQSA-N 0 3 358.463 2.432 20 10 FECDHN CCN1C[C@H](C[NH2+]Cc2cc(Br)cc(OC)c2[O-])CC1=O ZINC000846092913 681182192 /nfs/dbraw/zinc/18/21/92/681182192.db2.gz KIPPTODMCVNNAN-JTQLQIEISA-N 0 3 357.248 2.121 20 10 FECDHN Cc1cc(Br)cc(CN2CCN(C(C)(C)CO)CC2)c1O ZINC000775703365 681325872 /nfs/dbraw/zinc/32/58/72/681325872.db2.gz PAYMAJVNLYZDDP-UHFFFAOYSA-N 0 3 357.292 2.352 20 10 FECDHN COC(=O)N1CC(N[C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848536931 681574113 /nfs/dbraw/zinc/57/41/13/681574113.db2.gz YFBNCGXXVLPNSE-QMMMGPOBSA-N 0 3 359.220 2.265 20 10 FECDHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000849605800 681763554 /nfs/dbraw/zinc/76/35/54/681763554.db2.gz JXJAJWWGDZHYTB-CVEARBPZSA-N 0 3 362.861 2.131 20 10 FECDHN CS(=O)(=O)C1(CNCc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000850376237 681894496 /nfs/dbraw/zinc/89/44/96/681894496.db2.gz DEVQCPWWQDYKAN-UHFFFAOYSA-N 0 3 366.527 2.360 20 10 FECDHN Cc1cc(Br)cc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1O ZINC000793591834 682898029 /nfs/dbraw/zinc/89/80/29/682898029.db2.gz RJIZVHHNHOCNBZ-CHWSQXEVSA-N 0 3 357.292 2.350 20 10 FECDHN CCN1CCN([C@@H](C)C[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858097656 682933997 /nfs/dbraw/zinc/93/39/97/682933997.db2.gz USCVZIBHAREMNC-ZDUSSCGKSA-N 0 3 356.308 2.270 20 10 FECDHN [O-]c1cccc(Br)c1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000862418307 683588262 /nfs/dbraw/zinc/58/82/62/683588262.db2.gz MQKZULLGCBSWLP-CYBMUJFWSA-N 0 3 355.276 2.186 20 10 FECDHN [O-]c1cccc(Br)c1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000862418307 683588267 /nfs/dbraw/zinc/58/82/67/683588267.db2.gz MQKZULLGCBSWLP-CYBMUJFWSA-N 0 3 355.276 2.186 20 10 FECDHN CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000866579960 684122626 /nfs/dbraw/zinc/12/26/26/684122626.db2.gz VTMCGXMKSZPOPT-GFCCVEGCSA-N 0 3 352.431 2.333 20 10 FECDHN O[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)C(F)(F)F ZINC000883367389 687615504 /nfs/dbraw/zinc/61/55/04/687615504.db2.gz OEGLMVYRCGZWHV-CYBMUJFWSA-N 0 3 372.309 2.310 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CSCCS2)N(C)C)cc1 ZINC000891252660 689040546 /nfs/dbraw/zinc/04/05/46/689040546.db2.gz LXNSQMTYNRNWGX-CVEARBPZSA-N 0 3 353.557 2.320 20 10 FECDHN C[C@@H](CO)CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000893875718 689421992 /nfs/dbraw/zinc/42/19/92/689421992.db2.gz PJETWKKQZGSRCC-QAPCUYQASA-N 0 3 350.507 2.063 20 10 FECDHN COc1ccc(CN2CCCC[C@H]2COC(=O)N(C)C)c(O)c1OC ZINC000894426682 689529905 /nfs/dbraw/zinc/52/99/05/689529905.db2.gz BIFSJCCTYBJSAH-AWEZNQCLSA-N 0 3 352.431 2.462 20 10 FECDHN C[C@H](CCCO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098602 690303224 /nfs/dbraw/zinc/30/32/24/690303224.db2.gz PTKXTMVHYMBUOB-CRAIPNDOSA-N 0 3 350.507 2.063 20 10 FECDHN CC(C)[C@@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102477 690304449 /nfs/dbraw/zinc/30/44/49/690304449.db2.gz PUUAKHDOGAPSLO-MSOLQXFVSA-N 0 3 350.507 2.062 20 10 FECDHN CC(C)[C@@](C)(CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100918 690304500 /nfs/dbraw/zinc/30/45/00/690304500.db2.gz CZVJKYRCKUSUIX-IEBWSBKVSA-N 0 3 350.507 2.062 20 10 FECDHN CC(C)C[C@@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000906082458 691229547 /nfs/dbraw/zinc/22/95/47/691229547.db2.gz ROKRMVLUAAFBMP-CKEIUWERSA-N 0 3 351.466 2.429 20 10 FECDHN Cc1cc([O-])c(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1C ZINC000066859617 541381899 /nfs/dbraw/zinc/38/18/99/541381899.db2.gz ZREOGAFNTVEDFV-UHFFFAOYSA-N 0 3 359.514 2.385 20 10 FECDHN CN(C)C/C=C/C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203253 542638744 /nfs/dbraw/zinc/63/87/44/542638744.db2.gz UJPHIFNDKNYODT-YVARQFDVSA-N 0 3 353.413 2.491 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC(C)(N3CCOCC3)CC2)c1O ZINC000528729531 562344392 /nfs/dbraw/zinc/34/43/92/562344392.db2.gz SSQFYOOYXWMKCX-UHFFFAOYSA-N 0 3 350.434 2.421 20 10 FECDHN C[C@H](N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1(C)CC1 ZINC000177231120 546576438 /nfs/dbraw/zinc/57/64/38/546576438.db2.gz FMTNAFNKEDZWCP-HNNXBMFYSA-N 0 3 363.477 2.399 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000177952833 546713217 /nfs/dbraw/zinc/71/32/17/546713217.db2.gz FFESYKUHQKGKKW-QKNQBKEWSA-N 0 3 370.541 2.175 20 10 FECDHN COc1cc(O)c(CN2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000179859662 547021569 /nfs/dbraw/zinc/02/15/69/547021569.db2.gz ACYXHKRKNQRQQJ-UXLLHSPISA-N 0 3 364.486 2.483 20 10 FECDHN C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(F)ccc1[O-] ZINC000185686060 548020600 /nfs/dbraw/zinc/02/06/00/548020600.db2.gz VHWIFJDTKPYROI-SECBINFHSA-N 0 3 370.368 2.496 20 10 FECDHN CCOC1CC(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])(N2CCOCC2)C1 ZINC000193407609 548386798 /nfs/dbraw/zinc/38/67/98/548386798.db2.gz HKIQXPOYCYJFQQ-FVWXCPNNSA-N 0 3 364.486 2.321 20 10 FECDHN CCOc1cccc(C[NH2+]CC2(N3CCOCC3)CC(OCC)C2)c1[O-] ZINC000195459636 548643060 /nfs/dbraw/zinc/64/30/60/548643060.db2.gz QIMUCQCNRVVGLY-UHFFFAOYSA-N 0 3 364.486 2.150 20 10 FECDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1 ZINC000271115800 550341878 /nfs/dbraw/zinc/34/18/78/550341878.db2.gz BOVLQJNXONOCGB-LSDHHAIUSA-N 0 3 350.459 2.154 20 10 FECDHN CCOc1ccc([O-])c(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1 ZINC000271115800 550341880 /nfs/dbraw/zinc/34/18/80/550341880.db2.gz BOVLQJNXONOCGB-LSDHHAIUSA-N 0 3 350.459 2.154 20 10 FECDHN COc1cc([O-])c(C[NH2+]CCCN2C(=O)COc3ccccc32)cc1OC ZINC000271788244 550402076 /nfs/dbraw/zinc/40/20/76/550402076.db2.gz GCYDTJXEDINKKC-UHFFFAOYSA-N 0 3 372.421 2.315 20 10 FECDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000272594549 550459764 /nfs/dbraw/zinc/45/97/64/550459764.db2.gz IEZCHTQVWBJILJ-UYLUUYTCSA-N 0 3 355.482 2.089 20 10 FECDHN CCOc1cccc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1[O-] ZINC000276966871 550616334 /nfs/dbraw/zinc/61/63/34/550616334.db2.gz QPLACGPZFVZYLV-UHFFFAOYSA-N 0 3 370.515 2.473 20 10 FECDHN Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000280046649 550955713 /nfs/dbraw/zinc/95/57/13/550955713.db2.gz XEWNFJYCEGHKHL-RDJZCZTQSA-N 0 3 350.413 2.309 20 10 FECDHN Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000280046649 550955714 /nfs/dbraw/zinc/95/57/14/550955714.db2.gz XEWNFJYCEGHKHL-RDJZCZTQSA-N 0 3 350.413 2.309 20 10 FECDHN C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cc2c(cc1[O-])CCCC2 ZINC000280888255 551042877 /nfs/dbraw/zinc/04/28/77/551042877.db2.gz DWQCJJVGXAKXFW-KBPBESRZSA-N 0 3 368.481 2.480 20 10 FECDHN COc1cc([O-])c(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1OC ZINC000289731903 552369371 /nfs/dbraw/zinc/36/93/71/552369371.db2.gz PVOWLEOGXVDZSD-OAHLLOKOSA-N 0 3 363.458 2.179 20 10 FECDHN OC1CCN(c2ccc(CNCc3c[nH]c4nccnc34)cc2F)CC1 ZINC000290976254 552571399 /nfs/dbraw/zinc/57/13/99/552571399.db2.gz YCBFEBIDZFMOGY-UHFFFAOYSA-N 0 3 355.417 2.348 20 10 FECDHN C[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@H](C)CO ZINC000295711398 553048185 /nfs/dbraw/zinc/04/81/85/553048185.db2.gz KEKMUHABXRNYPE-CHWSQXEVSA-N 0 3 366.417 2.007 20 10 FECDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000298445358 553425650 /nfs/dbraw/zinc/42/56/50/553425650.db2.gz VLBAMZDRVMXGDO-UHFFFAOYSA-N 0 3 374.529 2.042 20 10 FECDHN Cn1ccc(N2CC[C@@H](NCc3ccc(N4CCCCC4)cc3)C2=O)n1 ZINC000360091169 554862478 /nfs/dbraw/zinc/86/24/78/554862478.db2.gz ARHJWTDNNRUMOE-GOSISDBHSA-N 0 3 353.470 2.306 20 10 FECDHN CN1CCCc2cc(CNC(=O)[C@]3(N)[C@@H]4CCCO[C@@H]4C3(C)C)ccc21 ZINC000364200779 555268444 /nfs/dbraw/zinc/26/84/44/555268444.db2.gz LAKWHVGKKVKTBH-PLMTUMEDSA-N 0 3 357.498 2.218 20 10 FECDHN COc1ccc(O)c([C@@H](C)N2CCCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000364641370 555360456 /nfs/dbraw/zinc/36/04/56/555360456.db2.gz YJRMVZGPZVRFRH-OAHLLOKOSA-N 0 3 363.502 2.384 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)c1 ZINC000372713615 557544593 /nfs/dbraw/zinc/54/45/93/557544593.db2.gz JQRUXBWBTHHUDH-CQSZACIVSA-N 0 3 370.453 2.168 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)c1 ZINC000372713615 557544596 /nfs/dbraw/zinc/54/45/96/557544596.db2.gz JQRUXBWBTHHUDH-CQSZACIVSA-N 0 3 370.453 2.168 20 10 FECDHN O=C1C[C@H](NCc2ccc(N3CCOCC3)cc2)CN1Cc1ccccc1 ZINC000375957816 558105297 /nfs/dbraw/zinc/10/52/97/558105297.db2.gz AQSJXZYZZHOMQC-FQEVSTJZSA-N 0 3 365.477 2.414 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)c1 ZINC000377721160 558405418 /nfs/dbraw/zinc/40/54/18/558405418.db2.gz SQBQKKSSZKFWQS-WXHSDQCUSA-N 0 3 350.394 2.360 20 10 FECDHN COCCc1noc(CC2CC[NH+](Cc3cc(OC)ccc3[O-])CC2)n1 ZINC000529639345 562379723 /nfs/dbraw/zinc/37/97/23/562379723.db2.gz AWNWLCIBBWYYCO-UHFFFAOYSA-N 0 3 361.442 2.427 20 10 FECDHN COCCc1noc(CC2CCN(Cc3cc(OC)ccc3O)CC2)n1 ZINC000529639345 562379724 /nfs/dbraw/zinc/37/97/24/562379724.db2.gz AWNWLCIBBWYYCO-UHFFFAOYSA-N 0 3 361.442 2.427 20 10 FECDHN COc1ccc(O)c([C@@H](C)[NH2+]CCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826210275 608502176 /nfs/dbraw/zinc/50/21/76/608502176.db2.gz KWBDHQHFGGRLHQ-GFCCVEGCSA-N 0 3 355.398 2.311 20 10 FECDHN Cc1cc(S(=O)(=O)NCCNCc2ccc(N(C)C)cc2)c(C)s1 ZINC000158376339 672269058 /nfs/dbraw/zinc/26/90/58/672269058.db2.gz FHINGROGTCYETO-UHFFFAOYSA-N 0 3 367.540 2.499 20 10 FECDHN COc1cc(Br)cc(CN2C[C@H](C(N)=O)CC[C@H]2C)c1O ZINC000159534188 672283117 /nfs/dbraw/zinc/28/31/17/672283117.db2.gz PUTMESBZBLWACS-NXEZZACHSA-N 0 3 357.248 2.249 20 10 FECDHN CCS(=O)(=O)NC1CCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000179438389 672402109 /nfs/dbraw/zinc/40/21/09/672402109.db2.gz DAFGEPOGWODXML-UHFFFAOYSA-N 0 3 352.500 2.175 20 10 FECDHN CN(C)c1ccc(CNC[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000818985597 675249752 /nfs/dbraw/zinc/24/97/52/675249752.db2.gz VYXZRWFXFYCCLK-GOSISDBHSA-N 0 3 366.458 2.118 20 10 FECDHN COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000824502316 675607011 /nfs/dbraw/zinc/60/70/11/675607011.db2.gz ZYKQIDSWTUWYNG-HIFRSBDPSA-N 0 3 371.275 2.068 20 10 FECDHN COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000824502316 675607013 /nfs/dbraw/zinc/60/70/13/675607013.db2.gz ZYKQIDSWTUWYNG-HIFRSBDPSA-N 0 3 371.275 2.068 20 10 FECDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](N)CC(F)F ZINC000830804315 677061792 /nfs/dbraw/zinc/06/17/92/677061792.db2.gz TXMXEGACQMCEJA-JTQLQIEISA-N 0 3 351.191 2.486 20 10 FECDHN O=S1(=O)CC[C@@H](CCN(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000760855658 680703422 /nfs/dbraw/zinc/70/34/22/680703422.db2.gz HAQHIHIGNNPZRR-NVXWUHKLSA-N 0 3 353.484 2.198 20 10 FECDHN COc1cc(Br)cc(CN2CC[C@@H](C(=O)N(C)C)C2)c1O ZINC000840957528 680857114 /nfs/dbraw/zinc/85/71/14/680857114.db2.gz IZUSYSDWPITOSR-SNVBAGLBSA-N 0 3 357.248 2.073 20 10 FECDHN COc1cc(Br)cc(CN(CC(N)=O)C2CCCC2)c1O ZINC000768258157 680942155 /nfs/dbraw/zinc/94/21/55/680942155.db2.gz RDEUUYNOCVEATD-UHFFFAOYSA-N 0 3 357.248 2.393 20 10 FECDHN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1[O-] ZINC000843387172 681000855 /nfs/dbraw/zinc/00/08/55/681000855.db2.gz FNPOFUUXCIKENA-CQSZACIVSA-N 0 3 352.862 2.436 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cn2cncn2)c1[O-] ZINC000848525270 681571429 /nfs/dbraw/zinc/57/14/29/681571429.db2.gz LCASKVFTUQNQHX-UWVGGRQHSA-N 0 3 355.236 2.494 20 10 FECDHN CCOc1ccc(C[NH2+]CCc2ccc(S(=O)(=O)NC)cc2)c([O-])c1 ZINC000865818508 684033523 /nfs/dbraw/zinc/03/35/23/684033523.db2.gz AMODAHWQGSLJHR-UHFFFAOYSA-N 0 3 364.467 2.031 20 10 FECDHN Cc1cccc([O-])c1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000877029320 686314216 /nfs/dbraw/zinc/31/42/16/686314216.db2.gz ZLOOIKHISIPJOW-UHFFFAOYSA-N 0 3 366.405 2.352 20 10 FECDHN COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000877727027 686446502 /nfs/dbraw/zinc/44/65/02/686446502.db2.gz PJPMSSDKEAUOME-QMTHXVAHSA-N 0 3 358.232 2.131 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1[O-] ZINC000880208627 687015608 /nfs/dbraw/zinc/01/56/08/687015608.db2.gz UCNFBIXJKIABTH-QGZVFWFLSA-N 0 3 350.434 2.467 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(N)nc(Cl)c2)N(C)C)cc1 ZINC000891253389 689040385 /nfs/dbraw/zinc/04/03/85/689040385.db2.gz SBGHLCMPYPSZOL-HNNXBMFYSA-N 0 3 361.877 2.416 20 10 FECDHN C[C@@H]1CN(c2ccc(CNC3CC(S(C)(=O)=O)C3)cc2F)C[C@H](C)O1 ZINC000892621506 689219729 /nfs/dbraw/zinc/21/97/29/689219729.db2.gz JQRVFOSIGBLAIX-YPXDRJKUSA-N 0 3 370.490 2.105 20 10 FECDHN CS[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1N(C)C ZINC000897238005 689992942 /nfs/dbraw/zinc/99/29/42/689992942.db2.gz SZNFMXOUCNJAOX-BONVTDFDSA-N 0 3 352.481 2.430 20 10 FECDHN COc1cc(O)c(CN2CCC(N3CCCOC3=O)CC2)cc1OC ZINC000897591961 690044954 /nfs/dbraw/zinc/04/49/54/690044954.db2.gz IBNVFMZXZIXMJE-UHFFFAOYSA-N 0 3 350.415 2.216 20 10 FECDHN CCC[C@H](O)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899095969 690302756 /nfs/dbraw/zinc/30/27/56/690302756.db2.gz NYZDMFLAHDTLQO-ROUUACIJSA-N 0 3 350.507 2.206 20 10 FECDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)COc1ccccc1 ZINC000073021410 541909413 /nfs/dbraw/zinc/90/94/13/541909413.db2.gz BOQWRDMJHLYTGE-FQEVSTJZSA-N 0 3 356.466 2.395 20 10 FECDHN [O-]c1cc(Br)ccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827698649 675773420 /nfs/dbraw/zinc/77/34/20/675773420.db2.gz ADTMYXPUBVOMRF-HNNXBMFYSA-N 0 3 355.276 2.186 20 10 FECDHN [O-]c1cc(Br)ccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000827698649 675773424 /nfs/dbraw/zinc/77/34/24/675773424.db2.gz ADTMYXPUBVOMRF-HNNXBMFYSA-N 0 3 355.276 2.186 20 10 FECDHN Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000328624558 132371574 /nfs/dbraw/zinc/37/15/74/132371574.db2.gz CNBLZYYMUVPCTP-VQTJNVASSA-N 0 3 356.470 2.267 20 10 FECDHN C[C@@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000089682342 542769006 /nfs/dbraw/zinc/76/90/06/542769006.db2.gz ZZDLUKFFDHLQLP-CRAIPNDOSA-N 0 3 363.477 2.176 20 10 FECDHN C[C@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000089682347 542769425 /nfs/dbraw/zinc/76/94/25/542769425.db2.gz ZZDLUKFFDHLQLP-YJBOKZPZSA-N 0 3 363.477 2.176 20 10 FECDHN CCOc1ccc(O)c(CN2CCC(N(C)S(=O)(=O)CC)CC2)c1 ZINC000093321146 542925859 /nfs/dbraw/zinc/92/58/59/542925859.db2.gz SFVUNIJYWISLLZ-UHFFFAOYSA-N 0 3 356.488 2.037 20 10 FECDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000093613644 542935885 /nfs/dbraw/zinc/93/58/85/542935885.db2.gz LYNHQVCQFKCGGR-UXHICEINSA-N 0 3 360.498 2.275 20 10 FECDHN COc1ccc(N2CCN(CCCNCc3cn(C)nc3C)CC2)cc1 ZINC000159635712 545969583 /nfs/dbraw/zinc/96/95/83/545969583.db2.gz FHJYNIILUBOJPX-UHFFFAOYSA-N 0 3 357.502 2.039 20 10 FECDHN Cc1cc(C(=O)NC[C@H](O)CN2CCCCC2)c(C)n1-c1ccccn1 ZINC000160616815 546056904 /nfs/dbraw/zinc/05/69/04/546056904.db2.gz PKUVWIAZAUYSMI-KRWDZBQOSA-N 0 3 356.470 2.066 20 10 FECDHN C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H](N)c1ccccc1 ZINC000165184958 546152699 /nfs/dbraw/zinc/15/26/99/546152699.db2.gz HUUMOEVRHNTBLA-JXFKEZNVSA-N 0 3 353.466 2.476 20 10 FECDHN C[C@H](NCc1cccnc1-n1cncn1)c1ccc(N2CCOCC2)cc1 ZINC000178047848 546730823 /nfs/dbraw/zinc/73/08/23/546730823.db2.gz KEOZRGNKVAZPME-INIZCTEOSA-N 0 3 364.453 2.350 20 10 FECDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000182381880 547482547 /nfs/dbraw/zinc/48/25/47/547482547.db2.gz HIQLYWDJSPZBBN-INIZCTEOSA-N 0 3 369.465 2.400 20 10 FECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c([O-])c1 ZINC000186158991 548092148 /nfs/dbraw/zinc/09/21/48/548092148.db2.gz RXMIMLQDRVOZQU-STQMWFEESA-N 0 3 355.481 2.248 20 10 FECDHN Cc1ccc([C@@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)N2CCOCC2)o1 ZINC000237973719 548868610 /nfs/dbraw/zinc/86/86/10/548868610.db2.gz VXZPUWMPVRSLGZ-OAHLLOKOSA-N 0 3 360.410 2.185 20 10 FECDHN N[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000238018770 548872388 /nfs/dbraw/zinc/87/23/88/548872388.db2.gz SQQVRHNGKTZZGV-ZBWUASRJSA-N 0 3 351.450 2.353 20 10 FECDHN Nc1ccc(CC(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)cc1 ZINC000262668099 549837102 /nfs/dbraw/zinc/83/71/02/549837102.db2.gz LNCGQDWPMJXEBB-NRFANRHFSA-N 0 3 367.493 2.373 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000266797303 550024138 /nfs/dbraw/zinc/02/41/38/550024138.db2.gz YJBNUCCPTXUTST-UHFFFAOYSA-N 0 3 355.486 2.314 20 10 FECDHN CC[C@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)N(C)C ZINC000268865094 550124937 /nfs/dbraw/zinc/12/49/37/550124937.db2.gz ZWPYGKGRVCTTRC-GRDNDAEWSA-N 0 3 351.466 2.396 20 10 FECDHN CCN(CC)c1ccc(CN2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000269440367 550195966 /nfs/dbraw/zinc/19/59/66/550195966.db2.gz FKTVONJEEBGIBL-QGZVFWFLSA-N 0 3 353.532 2.294 20 10 FECDHN CS(=O)(=O)NC[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000269455152 550197974 /nfs/dbraw/zinc/19/79/74/550197974.db2.gz IEKKHJIYPKGSBA-GOSISDBHSA-N 0 3 365.543 2.438 20 10 FECDHN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CCCCN1C1CC1 ZINC000277394774 550665151 /nfs/dbraw/zinc/66/51/51/550665151.db2.gz JKWNNRWJRPWZGG-FQEVSTJZSA-N 0 3 372.513 2.339 20 10 FECDHN CC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(C)cc1[O-] ZINC000280278013 550976184 /nfs/dbraw/zinc/97/61/84/550976184.db2.gz YIESVJRBWNBQCP-KRWDZBQOSA-N 0 3 355.438 2.157 20 10 FECDHN CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c([O-])c1 ZINC000284592406 551584651 /nfs/dbraw/zinc/58/46/51/551584651.db2.gz QHCOYVBNJRUJJY-OXQOHEQNSA-N 0 3 372.469 2.366 20 10 FECDHN Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCC(=O)N1C1CC1 ZINC000284816951 551641118 /nfs/dbraw/zinc/64/11/18/551641118.db2.gz LMDIJCIZVKKLMD-DNVCBOLYSA-N 0 3 358.417 2.249 20 10 FECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289570213 552342390 /nfs/dbraw/zinc/34/23/90/552342390.db2.gz JLXYLMKHJGRLSH-SUMWQHHRSA-N 0 3 351.834 2.307 20 10 FECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289570213 552342393 /nfs/dbraw/zinc/34/23/93/552342393.db2.gz JLXYLMKHJGRLSH-SUMWQHHRSA-N 0 3 351.834 2.307 20 10 FECDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000363711242 555168873 /nfs/dbraw/zinc/16/88/73/555168873.db2.gz GRVHMQJSXXQLTP-HNNXBMFYSA-N 0 3 372.469 2.141 20 10 FECDHN CCN(CC)c1ccc(CN2CC[C@H](n3cc(C(=O)OC)nn3)C2)cc1 ZINC000363935951 555217459 /nfs/dbraw/zinc/21/74/59/555217459.db2.gz XTMGCPCKSSRCJV-KRWDZBQOSA-N 0 3 357.458 2.358 20 10 FECDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCCN(c3nccc(OC)n3)CC2)c1 ZINC000370063724 556771305 /nfs/dbraw/zinc/77/13/05/556771305.db2.gz SBDWAJQJTNVORV-AWEZNQCLSA-N 0 3 358.442 2.473 20 10 FECDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCCN(c3nccc(OC)n3)CC2)c1 ZINC000370063724 556771307 /nfs/dbraw/zinc/77/13/07/556771307.db2.gz SBDWAJQJTNVORV-AWEZNQCLSA-N 0 3 358.442 2.473 20 10 FECDHN COc1ccc(O)c([C@H](C)N2CCCN(c3nccc(OC)n3)CC2)c1 ZINC000370063724 556771310 /nfs/dbraw/zinc/77/13/10/556771310.db2.gz SBDWAJQJTNVORV-AWEZNQCLSA-N 0 3 358.442 2.473 20 10 FECDHN CCCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c([O-])c1 ZINC000370636270 556926621 /nfs/dbraw/zinc/92/66/21/556926621.db2.gz SIPNRRNQAIHQII-MGPUTAFESA-N 0 3 372.469 2.224 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000370865208 556995244 /nfs/dbraw/zinc/99/52/44/556995244.db2.gz OOQBBTNCZHMPCQ-DFQSSKMNSA-N 0 3 359.514 2.456 20 10 FECDHN Cc1cc(O)c(CN[C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)cc1C ZINC000371946918 557335550 /nfs/dbraw/zinc/33/55/50/557335550.db2.gz JNKNEVBXTWDEJF-GOSISDBHSA-N 0 3 354.454 2.388 20 10 FECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)cc1C ZINC000371946918 557335551 /nfs/dbraw/zinc/33/55/51/557335551.db2.gz JNKNEVBXTWDEJF-GOSISDBHSA-N 0 3 354.454 2.388 20 10 FECDHN COC(=O)c1ccnc(N2CCCN(Cc3cc(OC)ccc3O)CC2)c1 ZINC000373223567 557653151 /nfs/dbraw/zinc/65/31/51/557653151.db2.gz JMYRJZAMQSNTMO-UHFFFAOYSA-N 0 3 371.437 2.295 20 10 FECDHN COC(=O)c1ccnc(N2CCC[N@H+](Cc3cc(OC)ccc3[O-])CC2)c1 ZINC000373223567 557653154 /nfs/dbraw/zinc/65/31/54/557653154.db2.gz JMYRJZAMQSNTMO-UHFFFAOYSA-N 0 3 371.437 2.295 20 10 FECDHN COC(=O)c1ccnc(N2CCC[N@@H+](Cc3cc(OC)ccc3[O-])CC2)c1 ZINC000373223567 557653157 /nfs/dbraw/zinc/65/31/57/557653157.db2.gz JMYRJZAMQSNTMO-UHFFFAOYSA-N 0 3 371.437 2.295 20 10 FECDHN O[C@@H](c1ncc[nH]1)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000373347078 557677061 /nfs/dbraw/zinc/67/70/61/557677061.db2.gz VXPOEBUZHBEBEX-LJQANCHMSA-N 0 3 356.470 2.192 20 10 FECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1OC ZINC000375407040 558022194 /nfs/dbraw/zinc/02/21/94/558022194.db2.gz VUVZHCALPPMZOJ-SPYBWZPUSA-N 0 3 351.443 2.161 20 10 FECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1OC ZINC000375407040 558022195 /nfs/dbraw/zinc/02/21/95/558022195.db2.gz VUVZHCALPPMZOJ-SPYBWZPUSA-N 0 3 351.443 2.161 20 10 FECDHN Cc1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c(C)n1-c1ccccn1 ZINC000377513574 558354874 /nfs/dbraw/zinc/35/48/74/558354874.db2.gz UQBNRBCXFPCXRV-DLBZAZTESA-N 0 3 354.454 2.082 20 10 FECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1OC ZINC000378440244 558558264 /nfs/dbraw/zinc/55/82/64/558558264.db2.gz AQOMWJUTFFFGQW-JKSUJKDBSA-N 0 3 361.442 2.231 20 10 FECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1OC ZINC000378440244 558558265 /nfs/dbraw/zinc/55/82/65/558558265.db2.gz AQOMWJUTFFFGQW-JKSUJKDBSA-N 0 3 361.442 2.231 20 10 FECDHN COCCN1CCC[C@@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471866631 561013339 /nfs/dbraw/zinc/01/33/39/561013339.db2.gz VXZYZMIBTRKYAN-MRXNPFEDSA-N 0 3 358.486 2.397 20 10 FECDHN CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cccc(OC)c2[O-])CC1 ZINC000809784287 674509923 /nfs/dbraw/zinc/50/99/23/674509923.db2.gz FCQOJGOAMMZRML-AWEZNQCLSA-N 0 3 370.515 2.283 20 10 FECDHN CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2cccc(OC)c2[O-])CC1 ZINC000809784287 674509925 /nfs/dbraw/zinc/50/99/25/674509925.db2.gz FCQOJGOAMMZRML-AWEZNQCLSA-N 0 3 370.515 2.283 20 10 FECDHN COc1cc(Br)cc(CN(C)CCNC(=O)C(C)C)c1O ZINC000092103754 670734780 /nfs/dbraw/zinc/73/47/80/670734780.db2.gz SYOQOQKEZSTGPR-UHFFFAOYSA-N 0 3 359.264 2.367 20 10 FECDHN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000819824453 675316402 /nfs/dbraw/zinc/31/64/02/675316402.db2.gz KSYJYXXHPLTZCG-HZPDHXFCSA-N 0 3 359.495 2.437 20 10 FECDHN COc1cc(N2CCN(C[C@@H](OC)C3CC3)CC2)cc(OC)c1OC ZINC000822852477 675511440 /nfs/dbraw/zinc/51/14/40/675511440.db2.gz UAYODAGXZQIXJD-GOSISDBHSA-N 0 3 350.459 2.259 20 10 FECDHN O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cc(F)ccc3[O-])cc2)CC1 ZINC000826936627 675716936 /nfs/dbraw/zinc/71/69/36/675716936.db2.gz AYLUJNGYSQQFQM-UHFFFAOYSA-N 0 3 364.442 2.056 20 10 FECDHN CSCC[C@@H](N)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828359315 675815352 /nfs/dbraw/zinc/81/53/52/675815352.db2.gz RLKUTLQFEQTHSH-OAHLLOKOSA-N 0 3 373.469 2.453 20 10 FECDHN C[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCN(CC(F)(F)F)C1 ZINC000840141728 680801721 /nfs/dbraw/zinc/80/17/21/680801721.db2.gz XEQFPVULUIQBPL-XHDPSFHLSA-N 0 3 360.376 2.134 20 10 FECDHN C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000756443489 680479208 /nfs/dbraw/zinc/47/92/08/680479208.db2.gz HWPWKSPZVSUCLT-ZDUSSCGKSA-N 0 3 352.431 2.302 20 10 FECDHN C[C@](O)(C1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1)C(F)(F)F ZINC000767513902 680914809 /nfs/dbraw/zinc/91/48/09/680914809.db2.gz MQYSZFHQLFYIMM-HOCLYGCPSA-N 0 3 361.360 2.343 20 10 FECDHN Cc1cc(Br)cc(CN2C[C@H](C)N(CCO)C[C@@H]2C)c1O ZINC000841891830 680916740 /nfs/dbraw/zinc/91/67/40/680916740.db2.gz PSFPVVYRNONGTB-STQMWFEESA-N 0 3 357.292 2.350 20 10 FECDHN Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000842784447 680966114 /nfs/dbraw/zinc/96/61/14/680966114.db2.gz JUJBOLTZAKQILA-INIZCTEOSA-N 0 3 369.437 2.318 20 10 FECDHN COc1cc(O)c(CNCc2ccc3c(c2)CCS3(=O)=O)cc1OC ZINC000776250032 681376768 /nfs/dbraw/zinc/37/67/68/681376768.db2.gz CXCFLFGHHYXHFA-UHFFFAOYSA-N 0 3 363.435 2.029 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)c1[O-] ZINC000848518452 681570429 /nfs/dbraw/zinc/57/04/29/681570429.db2.gz LSWBBBGZPQRWHU-BXKDBHETSA-N 0 3 357.248 2.483 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCn2ccnn2)c1[O-] ZINC000848545536 681575864 /nfs/dbraw/zinc/57/58/64/681575864.db2.gz YINOXGXNMIFVTG-SNVBAGLBSA-N 0 3 355.236 2.496 20 10 FECDHN CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779031543 681673710 /nfs/dbraw/zinc/67/37/10/681673710.db2.gz JNBCIZVRBNDMPB-JTQLQIEISA-N 0 3 365.293 2.053 20 10 FECDHN COc1cc(Br)cc([C@H](C)N[C@@H](C)C(=O)N(C)OC)c1O ZINC000858580931 682981722 /nfs/dbraw/zinc/98/17/22/682981722.db2.gz ZXTSJFWSFQHCDI-IUCAKERBSA-N 0 3 361.236 2.222 20 10 FECDHN CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000797605374 683261432 /nfs/dbraw/zinc/26/14/32/683261432.db2.gz QAOSFNJBUJUKLR-OAHLLOKOSA-N 0 3 357.248 2.121 20 10 FECDHN CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000797605374 683261436 /nfs/dbraw/zinc/26/14/36/683261436.db2.gz QAOSFNJBUJUKLR-OAHLLOKOSA-N 0 3 357.248 2.121 20 10 FECDHN CN(CC[NH2+]Cc1cc(F)ccc1[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000798086890 683307554 /nfs/dbraw/zinc/30/75/54/683307554.db2.gz XJWVMWWKNXWKAF-UHFFFAOYSA-N 0 3 356.394 2.081 20 10 FECDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1[O-] ZINC000862481196 683594815 /nfs/dbraw/zinc/59/48/15/683594815.db2.gz CKTRFFSCLUXJSR-AWEZNQCLSA-N 0 3 358.833 2.160 20 10 FECDHN COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648260 686879557 /nfs/dbraw/zinc/87/95/57/686879557.db2.gz GZUUFTUXZNXFKV-YUSFRKCESA-N 0 3 350.440 2.023 20 10 FECDHN COCC[C@@H](C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895339331 689698942 /nfs/dbraw/zinc/69/89/42/689698942.db2.gz LWJZEAILKUXFCP-CRAIPNDOSA-N 0 3 350.507 2.327 20 10 FECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898723606 690237866 /nfs/dbraw/zinc/23/78/66/690237866.db2.gz GRRWBNVVVRHSMK-SNVBAGLBSA-N 0 3 352.232 2.464 20 10 FECDHN CCC[C@H](O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899095971 690302920 /nfs/dbraw/zinc/30/29/20/690302920.db2.gz NYZDMFLAHDTLQO-ZWKOTPCHSA-N 0 3 350.507 2.206 20 10 FECDHN CC[C@@](O)(CNCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000905054657 691062264 /nfs/dbraw/zinc/06/22/64/691062264.db2.gz KNGKNZIYLOTGOU-OAHLLOKOSA-N 0 3 350.356 2.455 20 10 FECDHN O=C(Nc1nccs1)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000057088924 540767620 /nfs/dbraw/zinc/76/76/20/540767620.db2.gz AZIGIWOURYZGBY-LLVKDONJSA-N 0 3 361.423 2.428 20 10 FECDHN CC1CCN(CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000079050608 542496542 /nfs/dbraw/zinc/49/65/42/542496542.db2.gz CUGZESBXUPZSOZ-UHFFFAOYSA-N 0 3 374.529 2.397 20 10 FECDHN CC[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C)cc1[O-] ZINC000806171038 674369719 /nfs/dbraw/zinc/36/97/19/674369719.db2.gz PRBAJXATCDDCSD-GDBMZVCRSA-N 0 3 355.504 2.012 20 10 FECDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000182381901 547482067 /nfs/dbraw/zinc/48/20/67/547482067.db2.gz HIQLYWDJSPZBBN-MRXNPFEDSA-N 0 3 369.465 2.400 20 10 FECDHN C[C@@H](CS(C)(=O)=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000183045820 547591323 /nfs/dbraw/zinc/59/13/23/547591323.db2.gz AHBZCQITCYTDRW-STQMWFEESA-N 0 3 362.442 2.280 20 10 FECDHN CN(C)CCOc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccn1 ZINC000183081795 547598329 /nfs/dbraw/zinc/59/83/29/547598329.db2.gz FWZGOHHHTWRCMV-UHFFFAOYSA-N 0 3 356.470 2.360 20 10 FECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000184677057 547863924 /nfs/dbraw/zinc/86/39/24/547863924.db2.gz OWZSAIHFQKKIQW-CYBMUJFWSA-N 0 3 368.861 2.125 20 10 FECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000184677057 547863927 /nfs/dbraw/zinc/86/39/27/547863927.db2.gz OWZSAIHFQKKIQW-CYBMUJFWSA-N 0 3 368.861 2.125 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000185140728 547938854 /nfs/dbraw/zinc/93/88/54/547938854.db2.gz NXSWYDBMHGXERM-KBXCAEBGSA-N 0 3 352.500 2.259 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000185140767 547938964 /nfs/dbraw/zinc/93/89/64/547938964.db2.gz NXSWYDBMHGXERM-KSSFIOAISA-N 0 3 352.500 2.259 20 10 FECDHN CCn1nccc1N1CCC[C@@H](NCc2ccc3c(c2)CCN3C)C1=O ZINC000191640398 548348069 /nfs/dbraw/zinc/34/80/69/548348069.db2.gz IHUMFOMZSGYXGU-QGZVFWFLSA-N 0 3 353.470 2.181 20 10 FECDHN COc1cccc(CNC(=O)NC2CCN(CCOC(C)C)CC2)c1O ZINC000267006804 550026453 /nfs/dbraw/zinc/02/64/53/550026453.db2.gz FLWAKSXGZAIEFJ-UHFFFAOYSA-N 0 3 365.474 2.089 20 10 FECDHN N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269230455 550169886 /nfs/dbraw/zinc/16/98/86/550169886.db2.gz CSAHJMSTQJRFOB-NRFANRHFSA-N 0 3 367.493 2.082 20 10 FECDHN Cc1cc(O)c(CN2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1C ZINC000269314077 550179716 /nfs/dbraw/zinc/17/97/16/550179716.db2.gz GVFYRYNHFOGWQQ-HNNXBMFYSA-N 0 3 352.442 2.157 20 10 FECDHN CCCOc1ccc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c([O-])c1 ZINC000271162406 550347311 /nfs/dbraw/zinc/34/73/11/550347311.db2.gz YAWMTUHPVXJRMW-QGZVFWFLSA-N 0 3 355.475 2.415 20 10 FECDHN CCCOc1ccc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c([O-])c1 ZINC000271162406 550347312 /nfs/dbraw/zinc/34/73/12/550347312.db2.gz YAWMTUHPVXJRMW-QGZVFWFLSA-N 0 3 355.475 2.415 20 10 FECDHN COc1cc(O)c(CN(C)C[C@H](O)COCc2ccccc2)cc1OC ZINC000271718451 550397461 /nfs/dbraw/zinc/39/74/61/550397461.db2.gz IZNDFMQTQKDPEY-KRWDZBQOSA-N 0 3 361.438 2.419 20 10 FECDHN COc1cc(O)c(CN(C)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000271718453 550397497 /nfs/dbraw/zinc/39/74/97/550397497.db2.gz IZNDFMQTQKDPEY-QGZVFWFLSA-N 0 3 361.438 2.419 20 10 FECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1[O-] ZINC000289238567 552287044 /nfs/dbraw/zinc/28/70/44/552287044.db2.gz DNZZNRFJZUQMSL-CYBMUJFWSA-N 0 3 368.783 2.407 20 10 FECDHN CN1CCC[C@]2(CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000297316207 553277601 /nfs/dbraw/zinc/27/76/01/553277601.db2.gz IPNJXDSLLCUDFY-NRFANRHFSA-N 0 3 372.513 2.151 20 10 FECDHN O=S1(=O)CCC[C@@H](NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000362252998 554958219 /nfs/dbraw/zinc/95/82/19/554958219.db2.gz DWOZUWWTKZLIMK-CQSZACIVSA-N 0 3 374.453 2.424 20 10 FECDHN CN1CCc2cc(CNCC(=O)N[C@@H]3CCOc4ccccc43)ccc21 ZINC000367057583 556000781 /nfs/dbraw/zinc/00/07/81/556000781.db2.gz KWVCDYGMIPYFSV-GOSISDBHSA-N 0 3 351.450 2.409 20 10 FECDHN CCOc1cccc(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1[O-] ZINC000370829692 556982104 /nfs/dbraw/zinc/98/21/04/556982104.db2.gz IFHUBHVNUQGWMO-HNNXBMFYSA-N 0 3 355.438 2.258 20 10 FECDHN CCN(CC)c1ccc(CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1 ZINC000371331601 557148578 /nfs/dbraw/zinc/14/85/78/557148578.db2.gz JGEKYWCNTATKMU-HXUWFJFHSA-N 0 3 358.486 2.343 20 10 FECDHN COCCn1ncc2c1[C@H](NCc1cc(OC)c(OC)cc1O)CCC2 ZINC000375210105 557992389 /nfs/dbraw/zinc/99/23/89/557992389.db2.gz XZWGPXSDVUEVPK-OAHLLOKOSA-N 0 3 361.442 2.420 20 10 FECDHN COc1ccc(O)c(CN2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1 ZINC000377708716 558402485 /nfs/dbraw/zinc/40/24/85/558402485.db2.gz XQMYSFWIUKITSW-JKSUJKDBSA-N 0 3 364.442 2.270 20 10 FECDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000527467021 562289121 /nfs/dbraw/zinc/28/91/21/562289121.db2.gz PYIWLYRHRRUVFL-MRXNPFEDSA-N 0 3 371.529 2.169 20 10 FECDHN CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000736768322 598727749 /nfs/dbraw/zinc/72/77/49/598727749.db2.gz DLVNPIDXAYAGKZ-UHFFFAOYSA-N 0 3 352.442 2.444 20 10 FECDHN CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC000809785960 674509856 /nfs/dbraw/zinc/50/98/56/674509856.db2.gz IZVFTGZFPCHLFP-ZDUSSCGKSA-N 0 3 358.479 2.413 20 10 FECDHN CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC000809785960 674509857 /nfs/dbraw/zinc/50/98/57/674509857.db2.gz IZVFTGZFPCHLFP-ZDUSSCGKSA-N 0 3 358.479 2.413 20 10 FECDHN COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826210296 608500461 /nfs/dbraw/zinc/50/04/61/608500461.db2.gz LVBQXVSXBGGGFW-LBPRGKRZSA-N 0 3 355.398 2.311 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CCCc2cnn(C)n2)c1[O-] ZINC000815145467 674923644 /nfs/dbraw/zinc/92/36/44/674923644.db2.gz VCBCWTUUGOWZQC-UHFFFAOYSA-N 0 3 355.236 2.014 20 10 FECDHN CCN(Cc1ccccc1)c1ccc(CNCCS(=O)(=O)NC)cc1 ZINC000190304321 672636495 /nfs/dbraw/zinc/63/64/95/672636495.db2.gz YUFPDBXTECUDSY-UHFFFAOYSA-N 0 3 361.511 2.352 20 10 FECDHN C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(Br)cc1[O-] ZINC000825621631 675661295 /nfs/dbraw/zinc/66/12/95/675661295.db2.gz NHOQDXNOUXEBAS-LBPRGKRZSA-N 0 3 357.292 2.432 20 10 FECDHN C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(Br)cc1[O-] ZINC000825621631 675661296 /nfs/dbraw/zinc/66/12/96/675661296.db2.gz NHOQDXNOUXEBAS-LBPRGKRZSA-N 0 3 357.292 2.432 20 10 FECDHN NC(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000830656607 677052553 /nfs/dbraw/zinc/05/25/53/677052553.db2.gz CGVSXCZGUJDNKP-JOYOIKCWSA-N 0 3 367.318 2.263 20 10 FECDHN CCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c([O-])c1 ZINC000755218976 680405323 /nfs/dbraw/zinc/40/53/23/680405323.db2.gz BMKPAKRZODKFKV-UHFFFAOYSA-N 0 3 370.515 2.473 20 10 FECDHN CCC[C@H](O)[C@@H](CO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000842225084 680933678 /nfs/dbraw/zinc/93/36/78/680933678.db2.gz HDMGRGYGAWYTIJ-QAPCUYQASA-N 0 3 351.447 2.197 20 10 FECDHN CN(CCN(C)C(=O)OC(C)(C)C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768459965 680947629 /nfs/dbraw/zinc/94/76/29/680947629.db2.gz IPSINAJCURFOMV-HNNXBMFYSA-N 0 3 352.431 2.117 20 10 FECDHN CN(CC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)C(=O)OC(C)(C)C ZINC000768459965 680947630 /nfs/dbraw/zinc/94/76/30/680947630.db2.gz IPSINAJCURFOMV-HNNXBMFYSA-N 0 3 352.431 2.117 20 10 FECDHN CN(CC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)C(=O)OC(C)(C)C ZINC000768459965 680947631 /nfs/dbraw/zinc/94/76/31/680947631.db2.gz IPSINAJCURFOMV-HNNXBMFYSA-N 0 3 352.431 2.117 20 10 FECDHN C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)ccc1[O-] ZINC000842885175 680973479 /nfs/dbraw/zinc/97/34/79/680973479.db2.gz WKHWAXLHMRQBPQ-YPMHNXCESA-N 0 3 351.399 2.417 20 10 FECDHN COc1cccc([C@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)c1O ZINC000846163441 681192838 /nfs/dbraw/zinc/19/28/38/681192838.db2.gz AJKMEFWNYJRXBO-ZDUSSCGKSA-N 0 3 365.451 2.018 20 10 FECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])[C@H]1OC ZINC000775978421 681354465 /nfs/dbraw/zinc/35/44/65/681354465.db2.gz LJIIEADLGKFJES-UXIGCNINSA-N 0 3 360.248 2.445 20 10 FECDHN O=C(NCCCSc1nccs1)NC1CCN([C@H]2CCOC2)CC1 ZINC000853857394 682480017 /nfs/dbraw/zinc/48/00/17/682480017.db2.gz BAFUBPOJPSTPLI-AWEZNQCLSA-N 0 3 370.544 2.178 20 10 FECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000858280460 682952292 /nfs/dbraw/zinc/95/22/92/682952292.db2.gz SYQCPIZWPLETPB-ZDUSSCGKSA-N 0 3 352.431 2.126 20 10 FECDHN COc1cc(Br)cc(CN[C@H]2CCN(C3CCC3)C2=O)c1O ZINC000858343111 682959286 /nfs/dbraw/zinc/95/92/86/682959286.db2.gz SSJURBXVZKSPCT-ZDUSSCGKSA-N 0 3 369.259 2.406 20 10 FECDHN COc1cc(N2CCN(CC3CC(OC)C3)CC2)cc(OC)c1OC ZINC000859252148 683065373 /nfs/dbraw/zinc/06/53/73/683065373.db2.gz KNCWYNRDACHGOT-UHFFFAOYSA-N 0 3 350.459 2.259 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1[O-] ZINC000922724098 683773130 /nfs/dbraw/zinc/77/31/30/683773130.db2.gz DLNHLZMGTVMBHY-OSMZGAPFSA-N 0 3 358.232 2.057 20 10 FECDHN COC(=O)C[C@@H]1CSCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876758972 686262080 /nfs/dbraw/zinc/26/20/80/686262080.db2.gz MASNUPQQXDVMMI-QGZVFWFLSA-N 0 3 364.511 2.128 20 10 FECDHN O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877799000 686465783 /nfs/dbraw/zinc/46/57/83/686465783.db2.gz HDTBQDHWTUVPAG-COXVUDFISA-N 0 3 350.434 2.163 20 10 FECDHN O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877799000 686465788 /nfs/dbraw/zinc/46/57/88/686465788.db2.gz HDTBQDHWTUVPAG-COXVUDFISA-N 0 3 350.434 2.163 20 10 FECDHN Cc1nn(C)c(Cl)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255992 689040852 /nfs/dbraw/zinc/04/08/52/689040852.db2.gz USLWCPXKNIOTLI-HNNXBMFYSA-N 0 3 363.893 2.481 20 10 FECDHN COC(=O)c1c(CNCC[C@H](C)[S@](C)=O)c2cc(F)ccc2n1C ZINC000894410606 689526674 /nfs/dbraw/zinc/52/66/74/689526674.db2.gz RRCWWZUACTVHNB-BUBHHJDNSA-N 0 3 354.447 2.351 20 10 FECDHN COCCN1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895887544 689789159 /nfs/dbraw/zinc/78/91/59/689789159.db2.gz BEFBPFSZCVPMGF-UHFFFAOYSA-N 0 3 350.440 2.153 20 10 FECDHN Cc1cc(Br)c([O-])c(CN2CCN(C)CC[N@@H+](C)CC2)c1 ZINC000897856525 690091694 /nfs/dbraw/zinc/09/16/94/690091694.db2.gz OXVZKYKYCRVTCV-UHFFFAOYSA-N 0 3 356.308 2.142 20 10 FECDHN Cc1cc(Br)c([O-])c(CN2CCN(C)CC[N@H+](C)CC2)c1 ZINC000897856525 690091698 /nfs/dbraw/zinc/09/16/98/690091698.db2.gz OXVZKYKYCRVTCV-UHFFFAOYSA-N 0 3 356.308 2.142 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)N2C[C@H]3[C@@H](C2)C3(F)F)N(C)C)cc1 ZINC000899097842 690303170 /nfs/dbraw/zinc/30/31/70/690303170.db2.gz HUZOYLKERLBDNP-XHSDSOJGSA-N 0 3 352.429 2.262 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)N(C)OCC(F)(F)F)N(C)C)cc1 ZINC000899099255 690303848 /nfs/dbraw/zinc/30/38/48/690303848.db2.gz XPTGGKFERZJIOA-AWEZNQCLSA-N 0 3 362.396 2.491 20 10 FECDHN CC(C)[C@](C)(CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100917 690304445 /nfs/dbraw/zinc/30/44/45/690304445.db2.gz CZVJKYRCKUSUIX-HKUYNNGSSA-N 0 3 350.507 2.062 20 10 FECDHN CCOCc1cc(CNCCC(=O)NCc2cccnc2)ccc1OC ZINC000051188542 540425699 /nfs/dbraw/zinc/42/56/99/540425699.db2.gz DWGADBYRSOKYBU-UHFFFAOYSA-N 0 3 357.454 2.423 20 10 FECDHN CCC[C@@H](C)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051686465 540441222 /nfs/dbraw/zinc/44/12/22/540441222.db2.gz PDJWWXXYCIXYGS-OAHLLOKOSA-N 0 3 351.466 2.399 20 10 FECDHN CC(C)N(C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000063582185 541174106 /nfs/dbraw/zinc/17/41/06/541174106.db2.gz MDECIXHZJOYGAC-GJZGRUSLSA-N 0 3 351.466 2.396 20 10 FECDHN O=S(=O)(N1CCC(C[NH2+]Cc2ccccc2[O-])CC1)C(F)(F)F ZINC000069876155 541721984 /nfs/dbraw/zinc/72/19/84/541721984.db2.gz XODWKABZUQJWBB-UHFFFAOYSA-N 0 3 352.378 2.043 20 10 FECDHN c1nc2ncnc(NCc3ccc(N4CCN(CC5CC5)CC4)cc3)c2[nH]1 ZINC000091676902 542819717 /nfs/dbraw/zinc/81/97/17/542819717.db2.gz MDSUJMCKCPFVLQ-UHFFFAOYSA-N 0 3 363.469 2.497 20 10 FECDHN CCOc1cccc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c1O ZINC000093533988 542932798 /nfs/dbraw/zinc/93/27/98/542932798.db2.gz ACWCZTGBRMYSCF-UHFFFAOYSA-N 0 3 355.438 2.212 20 10 FECDHN CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1[O-] ZINC000156868766 545671600 /nfs/dbraw/zinc/67/16/00/545671600.db2.gz YALGBCXPUSSTNJ-JSGCOSHPSA-N 0 3 355.481 2.329 20 10 FECDHN CCOc1ccc(O)c(CN2CCCC[C@@H]2CCNS(C)(=O)=O)c1 ZINC000159448860 545954366 /nfs/dbraw/zinc/95/43/66/545954366.db2.gz SLDMYUKTOYVJQW-OAHLLOKOSA-N 0 3 356.488 2.085 20 10 FECDHN COc1cc(O)c(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1OC ZINC000180727881 547168640 /nfs/dbraw/zinc/16/86/40/547168640.db2.gz VSFXBVPPKJFIKL-UGSOOPFHSA-N 0 3 361.442 2.089 20 10 FECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1OC ZINC000180727881 547168645 /nfs/dbraw/zinc/16/86/45/547168645.db2.gz VSFXBVPPKJFIKL-UGSOOPFHSA-N 0 3 361.442 2.089 20 10 FECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1OC ZINC000180727881 547168649 /nfs/dbraw/zinc/16/86/49/547168649.db2.gz VSFXBVPPKJFIKL-UGSOOPFHSA-N 0 3 361.442 2.089 20 10 FECDHN COCCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183519328 547674648 /nfs/dbraw/zinc/67/46/48/547674648.db2.gz UCTKQRKQYXKBEV-CQSZACIVSA-N 0 3 364.467 2.168 20 10 FECDHN CCN1CCN(c2cccc(NC(=O)c3ccc(C(N)=O)cc3)c2)CC1 ZINC000187398470 548257763 /nfs/dbraw/zinc/25/77/63/548257763.db2.gz JAGHUTDQTQLKAZ-UHFFFAOYSA-N 0 3 352.438 2.180 20 10 FECDHN Cc1ccc([C@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)N2CCOCC2)o1 ZINC000237652197 548842167 /nfs/dbraw/zinc/84/21/67/548842167.db2.gz VXZPUWMPVRSLGZ-HNNXBMFYSA-N 0 3 360.410 2.185 20 10 FECDHN CC(C)[NH+](CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C ZINC000266801089 550024156 /nfs/dbraw/zinc/02/41/56/550024156.db2.gz BWCZXRAPBJKTIP-UHFFFAOYSA-N 0 3 371.503 2.002 20 10 FECDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000268197472 550038230 /nfs/dbraw/zinc/03/82/30/550038230.db2.gz NZHXABINNPQSBF-OHXZLLPFSA-N 0 3 355.482 2.135 20 10 FECDHN CCN(CC)c1ccc(CN2CCC(C(=O)NCCCO)CC2)cc1F ZINC000271045043 550334754 /nfs/dbraw/zinc/33/47/54/550334754.db2.gz KYDZJTHKXNNEFU-UHFFFAOYSA-N 0 3 365.493 2.383 20 10 FECDHN CCn1nccc1N1CCC[C@H](NCc2ccc(N(C)C)c(F)c2)C1=O ZINC000276590384 550579357 /nfs/dbraw/zinc/57/93/57/550579357.db2.gz DIYLNCBBGANJAL-INIZCTEOSA-N 0 3 359.449 2.393 20 10 FECDHN CS(=O)(=O)c1ccc(CNCc2cc3c(cc2O)OCO3)cc1Cl ZINC000276996186 550619675 /nfs/dbraw/zinc/61/96/75/550619675.db2.gz IZYIJEBZACUUMH-UHFFFAOYSA-N 0 3 369.826 2.468 20 10 FECDHN Cn1nccc1[C@H]1[C@H](NCc2ccc3c(c2)CCO3)CCC(=O)N1C1CC1 ZINC000284553953 551575746 /nfs/dbraw/zinc/57/57/46/551575746.db2.gz NVXPOYRDQJFKED-DYESRHJHSA-N 0 3 366.465 2.339 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000285619242 551784003 /nfs/dbraw/zinc/78/40/03/551784003.db2.gz JRAQFULSLAVAFO-QWHCGFSZSA-N 0 3 354.472 2.008 20 10 FECDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000285619242 551784004 /nfs/dbraw/zinc/78/40/04/551784004.db2.gz JRAQFULSLAVAFO-QWHCGFSZSA-N 0 3 354.472 2.008 20 10 FECDHN COc1cc(O)c(CNCc2ccc(Cn3cncn3)cc2)cc1OC ZINC000290272483 552452072 /nfs/dbraw/zinc/45/20/72/552452072.db2.gz YCCMDPBVUIMEAK-UHFFFAOYSA-N 0 3 354.410 2.339 20 10 FECDHN COc1cc([O-])c(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1OC ZINC000290272483 552452073 /nfs/dbraw/zinc/45/20/73/552452073.db2.gz YCCMDPBVUIMEAK-UHFFFAOYSA-N 0 3 354.410 2.339 20 10 FECDHN COC(=O)c1cc(CNCc2ccc(N3CCOCC3)cc2)n(C)c1C ZINC000291286442 552610421 /nfs/dbraw/zinc/61/04/21/552610421.db2.gz VFZZSABNIWPMQL-UHFFFAOYSA-N 0 3 357.454 2.247 20 10 FECDHN CCCNC(=O)C[C@@H](C(N)=O)N(CCC)Cc1ccc(N(C)C)c(C)c1 ZINC000294363128 552900433 /nfs/dbraw/zinc/90/04/33/552900433.db2.gz ASZYPJDDQJTKPP-SFHVURJKSA-N 0 3 362.518 2.043 20 10 FECDHN COC1CCN(c2ccc(CN3CCN(C[C@@H](C)O)C[C@H]3C)cc2)CC1 ZINC000295653035 553039600 /nfs/dbraw/zinc/03/96/00/553039600.db2.gz DEYQDVHEPVTABK-QZTJIDSGSA-N 0 3 361.530 2.189 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000296286045 553135173 /nfs/dbraw/zinc/13/51/73/553135173.db2.gz OXVBJDVNJFKHKP-DFQSSKMNSA-N 0 3 357.498 2.258 20 10 FECDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000298033645 553374496 /nfs/dbraw/zinc/37/44/96/553374496.db2.gz NYUARHXNSBIGRA-UHFFFAOYSA-N 0 3 361.486 2.074 20 10 FECDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@H]1COc2ccccc21 ZINC000361734478 554931993 /nfs/dbraw/zinc/93/19/93/554931993.db2.gz QYJKMUQITIZUBI-INIZCTEOSA-N 0 3 355.413 2.028 20 10 FECDHN Cc1ccc(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)c(O)c1O ZINC000365007656 555462902 /nfs/dbraw/zinc/46/29/02/555462902.db2.gz AYSJSBLRGQIMGW-MRXNPFEDSA-N 0 3 355.438 2.443 20 10 FECDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000368038055 556201026 /nfs/dbraw/zinc/20/10/26/556201026.db2.gz BRUKNIHJFAJEHM-KRWDZBQOSA-N 0 3 352.500 2.038 20 10 FECDHN CN1CCCc2cc(CNC(=O)N3CCCN(CC(C)(C)O)CC3)ccc21 ZINC000368703645 556391028 /nfs/dbraw/zinc/39/10/28/556391028.db2.gz JHJUUKKEWMAZOE-UHFFFAOYSA-N 0 3 374.529 2.057 20 10 FECDHN COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000369025169 556479876 /nfs/dbraw/zinc/47/98/76/556479876.db2.gz KEJLXURLPQQCOI-OAHLLOKOSA-N 0 3 372.469 2.180 20 10 FECDHN COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000369025169 556479879 /nfs/dbraw/zinc/47/98/79/556479879.db2.gz KEJLXURLPQQCOI-OAHLLOKOSA-N 0 3 372.469 2.180 20 10 FECDHN COc1ccc(N2CCC(N(C)CC(=O)NCc3cccnc3)CC2)cc1 ZINC000369816254 556703211 /nfs/dbraw/zinc/70/32/11/556703211.db2.gz QTJRTPHVGJJXOR-UHFFFAOYSA-N 0 3 368.481 2.307 20 10 FECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c1[O-] ZINC000370618658 556922394 /nfs/dbraw/zinc/92/23/94/556922394.db2.gz SAKGKXREPPHDDR-YVEFUNNKSA-N 0 3 362.861 2.397 20 10 FECDHN CN(C)c1ccc(C2=CCN(C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)cc1 ZINC000374782862 557930852 /nfs/dbraw/zinc/93/08/52/557930852.db2.gz PZCBLUUORDDRAS-INIZCTEOSA-N 0 3 363.527 2.123 20 10 FECDHN Fc1cc(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)ccc1N1CCOCC1 ZINC000822748094 606212028 /nfs/dbraw/zinc/21/20/28/606212028.db2.gz HOAPFTHQIRIXSS-UHFFFAOYSA-N 0 3 374.445 2.194 20 10 FECDHN COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccccc2-c2nnn[n-]2)c1 ZINC000826210391 608502343 /nfs/dbraw/zinc/50/23/43/608502343.db2.gz PNVKLLXBOFXSLN-GFCCVEGCSA-N 0 3 355.398 2.311 20 10 FECDHN COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccccc2-c2nn[n-]n2)c1 ZINC000826210391 608502346 /nfs/dbraw/zinc/50/23/46/608502346.db2.gz PNVKLLXBOFXSLN-GFCCVEGCSA-N 0 3 355.398 2.311 20 10 FECDHN CC[C@H](CSC)N(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000091098519 670718946 /nfs/dbraw/zinc/71/89/46/670718946.db2.gz HRWNIUFMWKOXNJ-MRXNPFEDSA-N 0 3 365.543 2.417 20 10 FECDHN CC[C@H](C)CN(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000111254183 670856496 /nfs/dbraw/zinc/85/64/96/670856496.db2.gz SKPIGTIZJBGCHS-HNNXBMFYSA-N 0 3 351.466 2.256 20 10 FECDHN COC1CCN(CCNC(=O)NCCCSc2nccs2)CC1 ZINC000154605722 672219203 /nfs/dbraw/zinc/21/92/03/672219203.db2.gz QAZWODMVTHQMEE-UHFFFAOYSA-N 0 3 358.533 2.035 20 10 FECDHN COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)NCc2ccccc2)c1 ZINC000185161310 672521584 /nfs/dbraw/zinc/52/15/84/672521584.db2.gz YQAVSKNMCLTZNQ-CQSZACIVSA-N 0 3 364.467 2.171 20 10 FECDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000818360753 675216294 /nfs/dbraw/zinc/21/62/94/675216294.db2.gz CFAPIJFMVPEPPQ-BXKDBHETSA-N 0 3 355.232 2.261 20 10 FECDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCN2CCCO)c1[O-] ZINC000824563673 675610659 /nfs/dbraw/zinc/61/06/59/675610659.db2.gz AELIDZCBKXDVRU-HNNXBMFYSA-N 0 3 357.292 2.400 20 10 FECDHN [O-]c1c(Br)cccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000768192038 680940162 /nfs/dbraw/zinc/94/01/62/680940162.db2.gz MTOGTOUZTPGYJZ-AWEZNQCLSA-N 0 3 355.276 2.451 20 10 FECDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000775373771 681302316 /nfs/dbraw/zinc/30/23/16/681302316.db2.gz WVXGUWYWEFLECQ-VHSXEESVSA-N 0 3 363.439 2.239 20 10 FECDHN CC(=O)c1cc(Cl)cc(CN2CCC(CN3CCNC3=O)CC2)c1O ZINC000933583965 681436944 /nfs/dbraw/zinc/43/69/44/681436944.db2.gz APCAYMBRWLSVCX-UHFFFAOYSA-N 0 3 365.861 2.485 20 10 FECDHN COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000777219267 681473290 /nfs/dbraw/zinc/47/32/90/681473290.db2.gz IVMXEHMEYXAFEW-CABCVRRESA-N 0 3 374.275 2.373 20 10 FECDHN COc1cccc([O-])c1C[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC000865776384 684027213 /nfs/dbraw/zinc/02/72/13/684027213.db2.gz UNAYTFRTKHYZIA-UHFFFAOYSA-N 0 3 350.459 2.297 20 10 FECDHN CN(C)c1ccc([C@@H]([NH3+])C[N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1 ZINC000866757368 684146167 /nfs/dbraw/zinc/14/61/67/684146167.db2.gz RNKJPEUQPCUIEH-LBPRGKRZSA-N 0 3 359.398 2.262 20 10 FECDHN COc1cc(Br)cc(CN2CCC3(CCNC3=O)CC2)c1O ZINC000877783285 686456839 /nfs/dbraw/zinc/45/68/39/686456839.db2.gz NIRGGPXPPAZVRP-UHFFFAOYSA-N 0 3 369.259 2.265 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)c2cc(C(F)F)n[nH]2)N(C)C)cc1 ZINC000891247921 689039576 /nfs/dbraw/zinc/03/95/76/689039576.db2.gz LNHLTSBLZFHIFV-HNNXBMFYSA-N 0 3 351.401 2.446 20 10 FECDHN Cc1c(Cl)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)nn1C ZINC000891250677 689040096 /nfs/dbraw/zinc/04/00/96/689040096.db2.gz YZJNYQGIFIJPFW-HNNXBMFYSA-N 0 3 363.893 2.481 20 10 FECDHN F[C@H]1CC2(CC[C@H]1NCc1ccc(N3CCOCC3)cc1)OCCO2 ZINC000892668909 689225896 /nfs/dbraw/zinc/22/58/96/689225896.db2.gz UEYUBGURFHNNET-ZWKOTPCHSA-N 0 3 350.434 2.247 20 10 FECDHN CCN(CC)C(=O)CN1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893928076 689432229 /nfs/dbraw/zinc/43/22/29/689432229.db2.gz OABMHDLEXOYATL-UHFFFAOYSA-N 0 3 355.429 2.047 20 10 FECDHN CCN(CC)C(=O)CN1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893928076 689432232 /nfs/dbraw/zinc/43/22/32/689432232.db2.gz OABMHDLEXOYATL-UHFFFAOYSA-N 0 3 355.429 2.047 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)NCCCOC(F)F)N(C)C)cc1 ZINC000894658898 689574401 /nfs/dbraw/zinc/57/44/01/689574401.db2.gz PBURASKGPVPMKQ-HNNXBMFYSA-N 0 3 358.433 2.284 20 10 FECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898723604 690237759 /nfs/dbraw/zinc/23/77/59/690237759.db2.gz GRRWBNVVVRHSMK-JTQLQIEISA-N 0 3 352.232 2.464 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)NCC(C)(C)CCO)N(C)C)cc1 ZINC000899100507 690304369 /nfs/dbraw/zinc/30/43/69/690304369.db2.gz AJVAIQSBDLBAJG-KRWDZBQOSA-N 0 3 350.507 2.063 20 10 FECDHN CCN(C[C@@H](C)OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105516 690304891 /nfs/dbraw/zinc/30/48/91/690304891.db2.gz XTFHJHPLYVNGRQ-QAPCUYQASA-N 0 3 350.507 2.422 20 10 FECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCc2nnnn2C)c1[O-] ZINC000903348451 690883796 /nfs/dbraw/zinc/88/37/96/690883796.db2.gz CQVKJPSPBSTVRE-JTQLQIEISA-N 0 3 354.252 2.270 20 10 FECDHN COc1cc(CNCc2ccc3c(c2)CCO3)ccc1OCC(=O)N(C)C ZINC000054175236 540572945 /nfs/dbraw/zinc/57/29/45/540572945.db2.gz CHRBGWKRYLQNSI-UHFFFAOYSA-N 0 3 370.449 2.387 20 10 FECDHN CS(=O)(=O)Nc1ccc(OCCNCc2ccc3c(c2)CCO3)cc1 ZINC000091069925 542793249 /nfs/dbraw/zinc/79/32/49/542793249.db2.gz XTQFJEXZFDWCPT-UHFFFAOYSA-N 0 3 362.451 2.162 20 10 FECDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@@H]1C[C@@H]1c1cccnc1 ZINC000131353010 544186769 /nfs/dbraw/zinc/18/67/69/544186769.db2.gz MEUQZOCNFZUCLL-IAGOWNOFSA-N 0 3 354.429 2.050 20 10 FECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000157061948 545695304 /nfs/dbraw/zinc/69/53/04/545695304.db2.gz OBJMFLXRSMBXTC-NSHDSACASA-N 0 3 361.364 2.381 20 10 FECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000157061948 545695306 /nfs/dbraw/zinc/69/53/06/545695306.db2.gz OBJMFLXRSMBXTC-NSHDSACASA-N 0 3 361.364 2.381 20 10 FECDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000160557870 546051568 /nfs/dbraw/zinc/05/15/68/546051568.db2.gz HRODTCOHRUMOLX-BBRMVZONSA-N 0 3 359.449 2.228 20 10 FECDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000177071082 546539055 /nfs/dbraw/zinc/53/90/55/546539055.db2.gz XZFZZLIGSSMNID-ZBBZLKSMSA-N 0 3 355.482 2.278 20 10 FECDHN COc1cc(O)c(CN2CCC([C@H](O)c3nccn3C)CC2)cc1OC ZINC000180280089 547078887 /nfs/dbraw/zinc/07/88/87/547078887.db2.gz BLTAIKQIZAMHDY-SFHVURJKSA-N 0 3 361.442 2.089 20 10 FECDHN CN(Cc1ccccc1O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000182899337 547569915 /nfs/dbraw/zinc/56/99/15/547569915.db2.gz IFRLWLVTLYUWBZ-IBGZPJMESA-N 0 3 369.465 2.300 20 10 FECDHN CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000263799132 549938777 /nfs/dbraw/zinc/93/87/77/549938777.db2.gz LMPFRLRZVFGMKH-GFCCVEGCSA-N 0 3 350.415 2.468 20 10 FECDHN CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000263799132 549938779 /nfs/dbraw/zinc/93/87/79/549938779.db2.gz LMPFRLRZVFGMKH-GFCCVEGCSA-N 0 3 350.415 2.468 20 10 FECDHN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000263799132 549938782 /nfs/dbraw/zinc/93/87/82/549938782.db2.gz LMPFRLRZVFGMKH-GFCCVEGCSA-N 0 3 350.415 2.468 20 10 FECDHN CC[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)N(CC)CC ZINC000265603447 550012045 /nfs/dbraw/zinc/01/20/45/550012045.db2.gz MUZKLZCBCCBIOT-QGZVFWFLSA-N 0 3 351.466 2.399 20 10 FECDHN Cc1nnc([C@H]2CCCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)[nH]1 ZINC000268417455 550062054 /nfs/dbraw/zinc/06/20/54/550062054.db2.gz CATHCSXJPBODGU-KRWDZBQOSA-N 0 3 370.501 2.017 20 10 FECDHN N[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269230459 550169940 /nfs/dbraw/zinc/16/99/40/550169940.db2.gz CSAHJMSTQJRFOB-OAQYLSRUSA-N 0 3 367.493 2.082 20 10 FECDHN CSCC[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272326964 550437720 /nfs/dbraw/zinc/43/77/20/550437720.db2.gz MDPRPWUEQBDAOG-ZENOOKHLSA-N 0 3 369.506 2.136 20 10 FECDHN CCN1CCN(CCCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273374678 550496218 /nfs/dbraw/zinc/49/62/18/550496218.db2.gz GXMGKOVWXJXUED-OAHLLOKOSA-N 0 3 350.463 2.369 20 10 FECDHN Cc1cc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c([O-])c1 ZINC000294652584 552923876 /nfs/dbraw/zinc/92/38/76/552923876.db2.gz GUPCUVNYBPVWRL-CVEARBPZSA-N 0 3 370.515 2.148 20 10 FECDHN C[C@@H](NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000296417497 553156739 /nfs/dbraw/zinc/15/67/39/553156739.db2.gz LEIROULWIMUALB-APWZRJJASA-N 0 3 366.527 2.267 20 10 FECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(Cc3noc(C)n3)C2)c1[O-] ZINC000359954519 554857435 /nfs/dbraw/zinc/85/74/35/554857435.db2.gz BTLSTQBCIXYVGH-CQSZACIVSA-N 0 3 366.849 2.500 20 10 FECDHN COC(=O)c1cn([C@H]2CCN(Cc3cc(Cl)cc(C)c3O)C2)nn1 ZINC000363910285 555211819 /nfs/dbraw/zinc/21/18/19/555211819.db2.gz UYINFAILUHSLNQ-ZDUSSCGKSA-N 0 3 350.806 2.179 20 10 FECDHN COc1ccc(O)c([C@@H](C)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 ZINC000367701445 556118076 /nfs/dbraw/zinc/11/80/76/556118076.db2.gz KUZQKGVTMHYPIB-CYBMUJFWSA-N 0 3 371.437 2.499 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 ZINC000367701445 556118078 /nfs/dbraw/zinc/11/80/78/556118078.db2.gz KUZQKGVTMHYPIB-CYBMUJFWSA-N 0 3 371.437 2.499 20 10 FECDHN CN(C)C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc2O1 ZINC000368033018 556199501 /nfs/dbraw/zinc/19/95/01/556199501.db2.gz BJKFCLNEEVOFNY-HQPKTYMTSA-N 0 3 354.406 2.467 20 10 FECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000369050584 556489352 /nfs/dbraw/zinc/48/93/52/556489352.db2.gz IVVISHZWPMGLJX-OALUTQOASA-N 0 3 360.502 2.147 20 10 FECDHN COc1cc([O-])c(C[N@H+](C)C2CCN(c3cnccn3)CC2)cc1OC ZINC000369492064 556610402 /nfs/dbraw/zinc/61/04/02/556610402.db2.gz GYWPFMOFPBFRMD-UHFFFAOYSA-N 0 3 358.442 2.300 20 10 FECDHN COc1cc([O-])c(C[N@@H+](C)C2CCN(c3cnccn3)CC2)cc1OC ZINC000369492064 556610405 /nfs/dbraw/zinc/61/04/05/556610405.db2.gz GYWPFMOFPBFRMD-UHFFFAOYSA-N 0 3 358.442 2.300 20 10 FECDHN CN(C)CCNC(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000371258301 557121477 /nfs/dbraw/zinc/12/14/77/557121477.db2.gz NAHFLWKTANMTIR-CYBMUJFWSA-N 0 3 374.407 2.272 20 10 FECDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000372312991 557437066 /nfs/dbraw/zinc/43/70/66/557437066.db2.gz GGPAUZYKXQICAK-HXUWFJFHSA-N 0 3 356.514 2.025 20 10 FECDHN O=C(Cc1ccccc1)N1CC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000376727967 558214018 /nfs/dbraw/zinc/21/40/18/558214018.db2.gz HSLKOLVQWZIEHY-INIZCTEOSA-N 0 3 354.406 2.054 20 10 FECDHN Cc1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c(C)n1-c1ccccn1 ZINC000377513578 558354761 /nfs/dbraw/zinc/35/47/61/558354761.db2.gz UQBNRBCXFPCXRV-IRXDYDNUSA-N 0 3 354.454 2.082 20 10 FECDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 ZINC000378450687 558560413 /nfs/dbraw/zinc/56/04/13/558560413.db2.gz CLHJBLUVMCKIJS-HNNXBMFYSA-N 0 3 358.442 2.415 20 10 FECDHN CCNC(=O)[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])C(C)C ZINC000815143315 674923640 /nfs/dbraw/zinc/92/36/40/674923640.db2.gz HDYDVEVYCXYZFJ-ZDUSSCGKSA-N 0 3 359.264 2.414 20 10 FECDHN O=C(CNCc1cc(Cl)cc(F)c1[O-])NCC[NH+]1CCCCCC1 ZINC000816620230 675069016 /nfs/dbraw/zinc/06/90/16/675069016.db2.gz MWIWSTKGHUWRCV-UHFFFAOYSA-N 0 3 357.857 2.267 20 10 FECDHN CC(C)CCN(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000052246338 670310559 /nfs/dbraw/zinc/31/05/59/670310559.db2.gz LCAQKAHGFPKPSQ-UHFFFAOYSA-N 0 3 351.466 2.256 20 10 FECDHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000824679180 675616228 /nfs/dbraw/zinc/61/62/28/675616228.db2.gz XZGAKYQQJFKFDO-LBPRGKRZSA-N 0 3 367.437 2.189 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c1[O-] ZINC000824708956 675617353 /nfs/dbraw/zinc/61/73/53/675617353.db2.gz LOOGCLAVQGDDLO-YGRLFVJLSA-N 0 3 360.248 2.304 20 10 FECDHN N[C@H](CC(F)F)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665333 677053385 /nfs/dbraw/zinc/05/33/85/677053385.db2.gz UNLIRPWCCSHWCD-ZWNOBZJWSA-N 0 3 363.355 2.356 20 10 FECDHN C[C@H](C1=CCN(C)CC1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762314655 680747336 /nfs/dbraw/zinc/74/73/36/680747336.db2.gz DKKFRPPSARFMGI-GFCCVEGCSA-N 0 3 363.845 2.460 20 10 FECDHN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000765794521 680855441 /nfs/dbraw/zinc/85/54/41/680855441.db2.gz CYSNMKKQWLNHPI-NWDGAFQWSA-N 0 3 357.248 2.168 20 10 FECDHN C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756459422 680480049 /nfs/dbraw/zinc/48/00/49/680480049.db2.gz NZMWWQMPUOYJOS-MNOVXSKESA-N 0 3 361.255 2.401 20 10 FECDHN C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756459422 680480055 /nfs/dbraw/zinc/48/00/55/680480055.db2.gz NZMWWQMPUOYJOS-MNOVXSKESA-N 0 3 361.255 2.401 20 10 FECDHN CCOc1cccc(CNC[C@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000842722325 680962113 /nfs/dbraw/zinc/96/21/13/680962113.db2.gz PFPDLBMTUOTSFA-AWEZNQCLSA-N 0 3 363.435 2.115 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1[O-] ZINC000848528725 681572075 /nfs/dbraw/zinc/57/20/75/681572075.db2.gz NSTRKAOBKKRUFR-MWLCHTKSSA-N 0 3 357.248 2.435 20 10 FECDHN O=C(NCc1cc(Cl)ccc1O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000852638876 682312363 /nfs/dbraw/zinc/31/23/63/682312363.db2.gz PUGQPNVVZJATMH-OAHLLOKOSA-N 0 3 353.850 2.098 20 10 FECDHN CN(C)Cc1ccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000788613067 682542785 /nfs/dbraw/zinc/54/27/85/682542785.db2.gz WGACJPXXKTYXNF-UHFFFAOYSA-N 0 3 365.474 2.432 20 10 FECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000797095686 683222109 /nfs/dbraw/zinc/22/21/09/683222109.db2.gz FMHDUNUZQQKKQY-DYEKYZERSA-N 0 3 356.463 2.483 20 10 FECDHN OCCN(CCO)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000862429843 683591053 /nfs/dbraw/zinc/59/10/53/683591053.db2.gz KYBCEKPGXNEGFA-UHFFFAOYSA-N 0 3 357.292 2.226 20 10 FECDHN CO[C@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCS(=O)(=O)C1 ZINC000922613997 683753697 /nfs/dbraw/zinc/75/36/97/683753697.db2.gz ANQOPOSVPAZIJH-IBGZPJMESA-N 0 3 361.463 2.353 20 10 FECDHN O=C1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCN1 ZINC000873049333 685059200 /nfs/dbraw/zinc/05/92/00/685059200.db2.gz GBQQRFVQNFLEGX-JKSUJKDBSA-N 0 3 351.878 2.268 20 10 FECDHN CC(C)CC[C@@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000876732190 686255987 /nfs/dbraw/zinc/25/59/87/686255987.db2.gz YKJASFDVRAYOOV-QGZVFWFLSA-N 0 3 351.466 2.167 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c1[O-] ZINC000883403502 687622537 /nfs/dbraw/zinc/62/25/37/687622537.db2.gz VEHFQVZRVVTXMA-CYBMUJFWSA-N 0 3 369.259 2.264 20 10 FECDHN F[C@@H]1CC2(CC[C@@H]1NCc1ccc(N3CCOCC3)cc1)OCCO2 ZINC000892668906 689225920 /nfs/dbraw/zinc/22/59/20/689225920.db2.gz UEYUBGURFHNNET-MSOLQXFVSA-N 0 3 350.434 2.247 20 10 FECDHN CCS(=O)(=O)c1ccc(CNCc2ccc(OC)c(OC)c2O)cc1 ZINC000893316314 689330896 /nfs/dbraw/zinc/33/08/96/689330896.db2.gz CCXYGHZBPGYGPJ-UHFFFAOYSA-N 0 3 365.451 2.493 20 10 FECDHN COc1cc(Cl)cc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)c1[O-] ZINC000896690661 689917226 /nfs/dbraw/zinc/91/72/26/689917226.db2.gz RAGMZNYWDHZULM-UHFFFAOYSA-N 0 3 357.834 2.192 20 10 FECDHN CCOc1ccc([O-])c(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c1 ZINC000092759659 542885449 /nfs/dbraw/zinc/88/54/49/542885449.db2.gz RXZFWPAEHSHDHF-UHFFFAOYSA-N 0 3 372.469 2.166 20 10 FECDHN c1cnc(N2CCCN(Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000093056512 542906055 /nfs/dbraw/zinc/90/60/55/542906055.db2.gz IZGOIIFDIVLEBX-UHFFFAOYSA-N 0 3 353.470 2.026 20 10 FECDHN c1cc(N2CCOCC2)ccc1CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093134096 542910686 /nfs/dbraw/zinc/91/06/86/542910686.db2.gz UMXLBTXESUBOKG-GOSISDBHSA-N 0 3 367.497 2.441 20 10 FECDHN CCCOc1ccc(CN2CCC(N(C)S(=O)(=O)CC)CC2)c(O)c1 ZINC000093321111 542926075 /nfs/dbraw/zinc/92/60/75/542926075.db2.gz WBAGUDQTNYQMPV-UHFFFAOYSA-N 0 3 370.515 2.427 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@H](N3CCCCC3)C2)cc1 ZINC000108377798 543288105 /nfs/dbraw/zinc/28/81/05/543288105.db2.gz PCXTURHZHUMDMI-FQEVSTJZSA-N 0 3 358.530 2.319 20 10 FECDHN C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000114750592 543534931 /nfs/dbraw/zinc/53/49/31/543534931.db2.gz YLLLQIHNPVWQNC-BBRMVZONSA-N 0 3 371.403 2.337 20 10 FECDHN C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000114750593 543535014 /nfs/dbraw/zinc/53/50/14/543535014.db2.gz YLLLQIHNPVWQNC-CJNGLKHVSA-N 0 3 371.403 2.337 20 10 FECDHN CCCOc1ccc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)c([O-])c1 ZINC000124652710 543834669 /nfs/dbraw/zinc/83/46/69/543834669.db2.gz LKSPAXHTDLJGQT-UHFFFAOYSA-N 0 3 370.453 2.365 20 10 FECDHN CC1CCN(c2ccc(CNC(=O)NC[C@](C)(O)CN(C)C)cc2)CC1 ZINC000126117929 543919104 /nfs/dbraw/zinc/91/91/04/543919104.db2.gz JMBAZTBOFHHVHS-FQEVSTJZSA-N 0 3 362.518 2.035 20 10 FECDHN O=C(CN1CCC[N@@H+](Cc2c([O-])cccc2Cl)CC1)N1CCCC1 ZINC000129308571 544104314 /nfs/dbraw/zinc/10/43/14/544104314.db2.gz QENKVYLFKQXKJD-UHFFFAOYSA-N 0 3 351.878 2.176 20 10 FECDHN O=C(CN1CCC[N@H+](Cc2c([O-])cccc2Cl)CC1)N1CCCC1 ZINC000129308571 544104316 /nfs/dbraw/zinc/10/43/16/544104316.db2.gz QENKVYLFKQXKJD-UHFFFAOYSA-N 0 3 351.878 2.176 20 10 FECDHN COc1cc(O)c(CN2CCC[C@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000179859691 547022035 /nfs/dbraw/zinc/02/20/35/547022035.db2.gz ACYXHKRKNQRQQJ-INMHGKMJSA-N 0 3 364.486 2.483 20 10 FECDHN O=S(=O)(N1CCC(C[NH2+]Cc2cc(F)ccc2[O-])CC1)C(F)(F)F ZINC000180708417 547163128 /nfs/dbraw/zinc/16/31/28/547163128.db2.gz CUEZZJLFPBPXCX-UHFFFAOYSA-N 0 3 370.368 2.183 20 10 FECDHN COc1cc(Cl)cc(CN2CCN(CC[NH+]3CCCC3)CC2)c1[O-] ZINC000184675059 547863358 /nfs/dbraw/zinc/86/33/58/547863358.db2.gz NKCHWUWFGDBJQN-UHFFFAOYSA-N 0 3 353.894 2.268 20 10 FECDHN O=C([C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-])N1CCOCC1 ZINC000184977968 547911365 /nfs/dbraw/zinc/91/13/65/547911365.db2.gz ZAUTZYNPHDEEJO-GOSISDBHSA-N 0 3 358.413 2.091 20 10 FECDHN C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000185391587 547978375 /nfs/dbraw/zinc/97/83/75/547978375.db2.gz IPKQGWXNBDDRKF-QWHCGFSZSA-N 0 3 356.308 2.441 20 10 FECDHN C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(F)ccc1[O-] ZINC000185686040 548020177 /nfs/dbraw/zinc/02/01/77/548020177.db2.gz VHWIFJDTKPYROI-VIFPVBQESA-N 0 3 370.368 2.496 20 10 FECDHN CCN1CCN(c2cccc(NC(=O)c3cccc(C(N)=O)c3)c2)CC1 ZINC000187400378 548257860 /nfs/dbraw/zinc/25/78/60/548257860.db2.gz QEJAHTLNJVLYSH-UHFFFAOYSA-N 0 3 352.438 2.180 20 10 FECDHN COc1cc(O)c(CN2CCC(c3nc(N(C)C)no3)CC2)cc1OC ZINC000191907987 548352851 /nfs/dbraw/zinc/35/28/51/548352851.db2.gz QLJFCPLMYFTCQY-UHFFFAOYSA-N 0 3 362.430 2.238 20 10 FECDHN CCOC1CC(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])(N2CCOCC2)C1 ZINC000193404180 548386706 /nfs/dbraw/zinc/38/67/06/548386706.db2.gz GHSNFRWZJZLWBT-ASFAAARLSA-N 0 3 352.450 2.452 20 10 FECDHN CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000265849411 550014942 /nfs/dbraw/zinc/01/49/42/550014942.db2.gz HXGBSUNIMAXKGV-HOTGVXAUSA-N 0 3 370.490 2.108 20 10 FECDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000268165381 550037009 /nfs/dbraw/zinc/03/70/09/550037009.db2.gz PMNWRBWZVQYLPU-JXFKEZNVSA-N 0 3 372.513 2.147 20 10 FECDHN CCCOc1ccc(C[N@H+](C)C[C@H](O)COCCOC(C)C)c([O-])c1 ZINC000271162403 550347038 /nfs/dbraw/zinc/34/70/38/550347038.db2.gz YAWMTUHPVXJRMW-KRWDZBQOSA-N 0 3 355.475 2.415 20 10 FECDHN CCCOc1ccc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c([O-])c1 ZINC000271162403 550347041 /nfs/dbraw/zinc/34/70/41/550347041.db2.gz YAWMTUHPVXJRMW-KRWDZBQOSA-N 0 3 355.475 2.415 20 10 FECDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000272296237 550435735 /nfs/dbraw/zinc/43/57/35/550435735.db2.gz GCAAFABUJVIRKH-LWGWVAHUSA-N 0 3 351.466 2.429 20 10 FECDHN CCN1CCN(CCCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273374675 550496252 /nfs/dbraw/zinc/49/62/52/550496252.db2.gz GXMGKOVWXJXUED-HNNXBMFYSA-N 0 3 350.463 2.369 20 10 FECDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc1OC ZINC000275483867 550572699 /nfs/dbraw/zinc/57/26/99/550572699.db2.gz INYMTMACWZSKPW-LIRRHRJNSA-N 0 3 361.442 2.380 20 10 FECDHN COC(=O)C[C@](C)(NCc1cc(OC)c(OC)cc1O)c1ccncc1 ZINC000276472013 550578880 /nfs/dbraw/zinc/57/88/80/550578880.db2.gz MYNIHKVWNBESMO-IBGZPJMESA-N 0 3 360.410 2.373 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c([O-])c1 ZINC000285521201 551769176 /nfs/dbraw/zinc/76/91/76/551769176.db2.gz OKIOWUXGHGOXDC-IBGZPJMESA-N 0 3 360.458 2.447 20 10 FECDHN CCCOc1ccc(C[N@H+]2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c([O-])c1 ZINC000285521201 551769177 /nfs/dbraw/zinc/76/91/77/551769177.db2.gz OKIOWUXGHGOXDC-IBGZPJMESA-N 0 3 360.458 2.447 20 10 FECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCS(=O)(=O)N(C)C)c1[O-] ZINC000290095644 552426469 /nfs/dbraw/zinc/42/64/69/552426469.db2.gz HRPOQOCCVPSPOR-SNVBAGLBSA-N 0 3 365.293 2.005 20 10 FECDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1CCCO1 ZINC000293013114 552780359 /nfs/dbraw/zinc/78/03/59/552780359.db2.gz UPMXMQBXOURLDM-LSDHHAIUSA-N 0 3 363.376 2.313 20 10 FECDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1CCCO1 ZINC000293013114 552780360 /nfs/dbraw/zinc/78/03/60/552780360.db2.gz UPMXMQBXOURLDM-LSDHHAIUSA-N 0 3 363.376 2.313 20 10 FECDHN Cc1nccc(CN2CCC[C@@H](NCc3ccc4c(c3)CCO4)C2=O)n1 ZINC000363960213 555222521 /nfs/dbraw/zinc/22/25/21/555222521.db2.gz GCELMOQWBOJILV-GOSISDBHSA-N 0 3 352.438 2.001 20 10 FECDHN COC(=O)CCn1nc(C)c(CNCc2ccc3c(c2)CCN3C)c1C ZINC000369807998 556700753 /nfs/dbraw/zinc/70/07/53/556700753.db2.gz GPGSBDYIJKOJIT-UHFFFAOYSA-N 0 3 356.470 2.345 20 10 FECDHN C[C@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000370376073 556854131 /nfs/dbraw/zinc/85/41/31/556854131.db2.gz ZLVDMRAHNCKMHU-ZDUSSCGKSA-N 0 3 356.474 2.114 20 10 FECDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)c1 ZINC000372713609 557544665 /nfs/dbraw/zinc/54/46/65/557544665.db2.gz JQRUXBWBTHHUDH-AWEZNQCLSA-N 0 3 370.453 2.168 20 10 FECDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)c1 ZINC000372713609 557544667 /nfs/dbraw/zinc/54/46/67/557544667.db2.gz JQRUXBWBTHHUDH-AWEZNQCLSA-N 0 3 370.453 2.168 20 10 FECDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000373259127 557660675 /nfs/dbraw/zinc/66/06/75/557660675.db2.gz HVPZWUYVSIPWOX-MRXNPFEDSA-N 0 3 372.513 2.074 20 10 FECDHN Cc1cc(Cl)cc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1[O-] ZINC000375025574 557966139 /nfs/dbraw/zinc/96/61/39/557966139.db2.gz ZHPAYDHUUDISCN-QGZVFWFLSA-N 0 3 351.834 2.164 20 10 FECDHN COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CN1C(=O)OC(C)(C)C ZINC000376086321 558124821 /nfs/dbraw/zinc/12/48/21/558124821.db2.gz YVFHBIFQXPYNNT-UONOGXRCSA-N 0 3 350.415 2.033 20 10 FECDHN CCN1CCN(CCC(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)CC1 ZINC000378546996 558580425 /nfs/dbraw/zinc/58/04/25/558580425.db2.gz XHXSJLUXRYZHPX-UHFFFAOYSA-N 0 3 356.514 2.006 20 10 FECDHN CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cccc(OC)c2[O-])CC1 ZINC000809784299 674509951 /nfs/dbraw/zinc/50/99/51/674509951.db2.gz FCQOJGOAMMZRML-CQSZACIVSA-N 0 3 370.515 2.283 20 10 FECDHN CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2cccc(OC)c2[O-])CC1 ZINC000809784299 674509953 /nfs/dbraw/zinc/50/99/53/674509953.db2.gz FCQOJGOAMMZRML-CQSZACIVSA-N 0 3 370.515 2.283 20 10 FECDHN Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cc(F)ccc2[O-])c(C)s1 ZINC000180868639 672419103 /nfs/dbraw/zinc/41/91/03/672419103.db2.gz CIFXMKWSBOPLNY-UHFFFAOYSA-N 0 3 358.460 2.278 20 10 FECDHN C[C@@](O)(CNCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F ZINC000819121194 675262603 /nfs/dbraw/zinc/26/26/03/675262603.db2.gz ITRRLGSKTFCOJE-OAHLLOKOSA-N 0 3 350.356 2.190 20 10 FECDHN N[C@@H](CC(F)F)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828358880 675815248 /nfs/dbraw/zinc/81/52/48/675815248.db2.gz OEWIXTKJOADHCY-ZDUSSCGKSA-N 0 3 363.355 2.356 20 10 FECDHN Cc1ccc(S(=O)(=O)NCCNCc2ccc(N(C)C)cc2C)s1 ZINC000840937473 680855122 /nfs/dbraw/zinc/85/51/22/680855122.db2.gz UOTSCPLLARJYJP-UHFFFAOYSA-N 0 3 367.540 2.499 20 10 FECDHN COc1cccc([O-])c1C[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000755221172 680405841 /nfs/dbraw/zinc/40/58/41/680405841.db2.gz VOJQPXJKXGXYMD-UHFFFAOYSA-N 0 3 356.488 2.083 20 10 FECDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC(=O)NCc2cccs2)c1 ZINC000775370350 681301582 /nfs/dbraw/zinc/30/15/82/681301582.db2.gz LTFCQTOZRIJHRN-LLVKDONJSA-N 0 3 363.439 2.139 20 10 FECDHN Cc1cc(Br)cc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1O ZINC000775676549 681323404 /nfs/dbraw/zinc/32/34/04/681323404.db2.gz TWQHFXADVCYTIV-JKSUJKDBSA-N 0 3 369.303 2.494 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c1[O-] ZINC000848549759 681576333 /nfs/dbraw/zinc/57/63/33/681576333.db2.gz SWIBFYGLFVQREY-AMJWSMQMSA-N 0 3 360.248 2.354 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)c1[O-] ZINC000858472340 682971361 /nfs/dbraw/zinc/97/13/61/682971361.db2.gz YFCKWRKQAOKTOH-BIMULSAOSA-N 0 3 360.248 2.354 20 10 FECDHN CS(=O)(=O)C[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000927026845 683199658 /nfs/dbraw/zinc/19/96/58/683199658.db2.gz RCPHOYCZRARBDL-SJLPKXTDSA-N 0 3 363.479 2.061 20 10 FECDHN CN(C)CCCS(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000866428668 684102779 /nfs/dbraw/zinc/10/27/79/684102779.db2.gz DLYJSMDTYJXNOD-UHFFFAOYSA-N 0 3 353.532 2.390 20 10 FECDHN C[C@H]([NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1[O-] ZINC000931553312 684301985 /nfs/dbraw/zinc/30/19/85/684301985.db2.gz BKUADNSIGKQSIV-BBRMVZONSA-N 0 3 370.515 2.044 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)CSc2nncs2)N(C)C)cc1 ZINC000891256290 689040797 /nfs/dbraw/zinc/04/07/97/689040797.db2.gz XCVHJQKUKIQGDF-AWEZNQCLSA-N 0 3 365.528 2.115 20 10 FECDHN CCOC(=O)N(C)C1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891913168 689125978 /nfs/dbraw/zinc/12/59/78/689125978.db2.gz RGEMHEBMKDGZCV-UHFFFAOYSA-N 0 3 352.431 2.462 20 10 FECDHN COC(=O)[C@H]1[C@@H](CN(C)Cc2ccc(N3CCOCC3)cc2)C1(F)F ZINC000893910909 689427520 /nfs/dbraw/zinc/42/75/20/689427520.db2.gz QDAGRRJTPATOMD-HZPDHXFCSA-N 0 3 354.397 2.009 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCSC2)N(C)C)cc1 ZINC000894509274 689545013 /nfs/dbraw/zinc/54/50/13/689545013.db2.gz BBFNLYGSLKOIHB-YOEHRIQHSA-N 0 3 350.532 2.408 20 10 FECDHN COc1cc(O)c(CN[C@H]2CON(C(=O)OC(C)(C)C)C2)cc1OC ZINC000897000328 689960815 /nfs/dbraw/zinc/96/08/15/689960815.db2.gz WIULSZNPDVMHPV-GFCCVEGCSA-N 0 3 354.403 2.050 20 10 FECDHN COc1cc(Br)cc(CNCc2cnc3n2CCOC3)c1O ZINC000898271232 690152152 /nfs/dbraw/zinc/15/21/52/690152152.db2.gz VYWCUPCZHCNFCQ-UHFFFAOYSA-N 0 3 368.231 2.180 20 10 FECDHN CC(C)[C@@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100991 690304457 /nfs/dbraw/zinc/30/44/57/690304457.db2.gz GBAVLYFBHTUHPP-HKUYNNGSSA-N 0 3 350.507 2.062 20 10 FECDHN c1[nH]nc2ncnc(NCc3ccc(N4CCN(CC5CC5)CC4)cc3)c12 ZINC000091675826 542819539 /nfs/dbraw/zinc/81/95/39/542819539.db2.gz UQCYQOXZRMDLSP-UHFFFAOYSA-N 0 3 363.469 2.497 20 10 FECDHN C[C@@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)N(C)C1CC1 ZINC000105162971 543162721 /nfs/dbraw/zinc/16/27/21/543162721.db2.gz GGMNXVXOVVRHSB-INIZCTEOSA-N 0 3 374.529 2.177 20 10 FECDHN CCN1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000111475927 543403074 /nfs/dbraw/zinc/40/30/74/543403074.db2.gz IXXBESFFGZXICA-IBGZPJMESA-N 0 3 360.502 2.197 20 10 FECDHN CC(C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)S(C)(=O)=O ZINC000112815015 543464299 /nfs/dbraw/zinc/46/42/99/543464299.db2.gz YLEMKNXWNRJHPC-LLVKDONJSA-N 0 3 366.405 2.077 20 10 FECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1OC ZINC000180070782 547047446 /nfs/dbraw/zinc/04/74/46/547047446.db2.gz VBMNGOPJGSURRH-CYBMUJFWSA-N 0 3 358.442 2.327 20 10 FECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1OC ZINC000180070782 547047448 /nfs/dbraw/zinc/04/74/48/547047448.db2.gz VBMNGOPJGSURRH-CYBMUJFWSA-N 0 3 358.442 2.327 20 10 FECDHN COc1cc(O)c(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1OC ZINC000180070782 547047452 /nfs/dbraw/zinc/04/74/52/547047452.db2.gz VBMNGOPJGSURRH-CYBMUJFWSA-N 0 3 358.442 2.327 20 10 FECDHN CN(C)c1noc([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000194931822 548553677 /nfs/dbraw/zinc/55/36/77/548553677.db2.gz CBXIOZUWXJJHQL-QGZVFWFLSA-N 0 3 371.485 2.352 20 10 FECDHN CN(C)C/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000265662690 550013379 /nfs/dbraw/zinc/01/33/79/550013379.db2.gz RDNHTDCPTKIGCV-ONEGZZNKSA-N 0 3 371.403 2.276 20 10 FECDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000268165402 550037088 /nfs/dbraw/zinc/03/70/88/550037088.db2.gz PMNWRBWZVQYLPU-UZLBHIALSA-N 0 3 372.513 2.147 20 10 FECDHN CCOCc1cc(CNC2(CC(=O)OC)CCOCC2)ccc1OC ZINC000268049750 550037169 /nfs/dbraw/zinc/03/71/69/550037169.db2.gz RUOUIJJWCAWSNE-UHFFFAOYSA-N 0 3 351.443 2.434 20 10 FECDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1cc(OC)ccc1O ZINC000271771723 550400515 /nfs/dbraw/zinc/40/05/15/550400515.db2.gz BSNITZWCXKQFOR-SFHVURJKSA-N 0 3 353.422 2.329 20 10 FECDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000272282512 550433770 /nfs/dbraw/zinc/43/37/70/550433770.db2.gz BVIPNULNLYHMSI-UYAOXDASSA-N 0 3 372.513 2.149 20 10 FECDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000272594553 550459774 /nfs/dbraw/zinc/45/97/74/550459774.db2.gz IEZCHTQVWBJILJ-WESDXNOOSA-N 0 3 355.482 2.089 20 10 FECDHN C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000273582429 550504012 /nfs/dbraw/zinc/50/40/12/550504012.db2.gz MYFOITIWUYSPEV-OAHLLOKOSA-N 0 3 359.514 2.474 20 10 FECDHN CN(C)C1(CN(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CCC1 ZINC000275398013 550572316 /nfs/dbraw/zinc/57/23/16/550572316.db2.gz DJDWTOLXMVDUGU-UHFFFAOYSA-N 0 3 360.502 2.149 20 10 FECDHN CN(Cc1cccs1)c1ccc(CNCCNS(C)(=O)=O)cc1 ZINC000294676912 552925973 /nfs/dbraw/zinc/92/59/73/552925973.db2.gz DTNREVOOVDYVTP-UHFFFAOYSA-N 0 3 353.513 2.023 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CCC3(CCC(O)CC3)CC2)cc1 ZINC000295689859 553044802 /nfs/dbraw/zinc/04/48/02/553044802.db2.gz LNBDPGDFGJRNPY-UHFFFAOYSA-N 0 3 359.514 2.386 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000295963469 553082251 /nfs/dbraw/zinc/08/22/51/553082251.db2.gz JRXAJZRTTIGZMW-MISYRCLQSA-N 0 3 357.498 2.306 20 10 FECDHN O=C([C@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000296548101 553177967 /nfs/dbraw/zinc/17/79/67/553177967.db2.gz SRVNDKITTQBRNX-OALUTQOASA-N 0 3 366.461 2.439 20 10 FECDHN CNS(=O)(=O)CCNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296678787 553197415 /nfs/dbraw/zinc/19/74/15/553197415.db2.gz GRUSHTZQEBGQOV-UHFFFAOYSA-N 0 3 353.513 2.023 20 10 FECDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000297588304 553312278 /nfs/dbraw/zinc/31/22/78/553312278.db2.gz CCZAPQIDXSHAOY-QGZVFWFLSA-N 0 3 361.486 2.074 20 10 FECDHN COc1cc(Cl)cc(CN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC000363909061 555211442 /nfs/dbraw/zinc/21/14/42/555211442.db2.gz MUAKMGDJNWQKID-HOTGVXAUSA-N 0 3 354.878 2.475 20 10 FECDHN COc1cc(Cl)cc(CN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c1[O-] ZINC000363909061 555211445 /nfs/dbraw/zinc/21/14/45/555211445.db2.gz MUAKMGDJNWQKID-HOTGVXAUSA-N 0 3 354.878 2.475 20 10 FECDHN O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])CC[C@H]12 ZINC000366481804 555856475 /nfs/dbraw/zinc/85/64/75/555856475.db2.gz LMPZNRNGSPVOHA-ZWKOTPCHSA-N 0 3 366.417 2.066 20 10 FECDHN O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])CC[C@H]12 ZINC000366481804 555856476 /nfs/dbraw/zinc/85/64/76/555856476.db2.gz LMPZNRNGSPVOHA-ZWKOTPCHSA-N 0 3 366.417 2.066 20 10 FECDHN COC(=O)c1cn([C@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)nn1 ZINC000368106397 556220360 /nfs/dbraw/zinc/22/03/60/556220360.db2.gz FFAMWGWADOQSCR-AWEZNQCLSA-N 0 3 352.394 2.371 20 10 FECDHN COC(=O)c1cn([C@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)nn1 ZINC000368106397 556220361 /nfs/dbraw/zinc/22/03/61/556220361.db2.gz FFAMWGWADOQSCR-AWEZNQCLSA-N 0 3 352.394 2.371 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCCN(c3nccc(OC)n3)CC2)c1 ZINC000370063725 556771484 /nfs/dbraw/zinc/77/14/84/556771484.db2.gz SBDWAJQJTNVORV-CQSZACIVSA-N 0 3 358.442 2.473 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCCN(c3nccc(OC)n3)CC2)c1 ZINC000370063725 556771488 /nfs/dbraw/zinc/77/14/88/556771488.db2.gz SBDWAJQJTNVORV-CQSZACIVSA-N 0 3 358.442 2.473 20 10 FECDHN COc1ccc(O)c([C@@H](C)N2CCCN(c3nccc(OC)n3)CC2)c1 ZINC000370063725 556771491 /nfs/dbraw/zinc/77/14/91/556771491.db2.gz SBDWAJQJTNVORV-CQSZACIVSA-N 0 3 358.442 2.473 20 10 FECDHN COC(=O)[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)C[C@H]1C ZINC000370482179 556885921 /nfs/dbraw/zinc/88/59/21/556885921.db2.gz CFLKCKHTRZIFQE-BXKDBHETSA-N 0 3 358.232 2.404 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000374340544 557868327 /nfs/dbraw/zinc/86/83/27/557868327.db2.gz KQIBRACQAHYSFF-LJQANCHMSA-N 0 3 359.514 2.460 20 10 FECDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000374805374 557934203 /nfs/dbraw/zinc/93/42/03/557934203.db2.gz IOQBDQACLRZZDY-OTIUETMYSA-N 0 3 360.454 2.117 20 10 FECDHN O=C(NC[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1)c1ccco1 ZINC000375693030 558068429 /nfs/dbraw/zinc/06/84/29/558068429.db2.gz NVUILEBIOIVLGE-ZDUSSCGKSA-N 0 3 358.394 2.356 20 10 FECDHN O=C1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CN1Cc1ccccc1 ZINC000375957817 558105219 /nfs/dbraw/zinc/10/52/19/558105219.db2.gz AQSJXZYZZHOMQC-HXUWFJFHSA-N 0 3 365.477 2.414 20 10 FECDHN Cc1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c(C)n1-c1ccccn1 ZINC000377513575 558354713 /nfs/dbraw/zinc/35/47/13/558354713.db2.gz UQBNRBCXFPCXRV-IAGOWNOFSA-N 0 3 354.454 2.082 20 10 FECDHN COc1cc(Br)cc(CN2CCC[C@H](CC(N)=O)C2)c1O ZINC000093808531 670756045 /nfs/dbraw/zinc/75/60/45/670756045.db2.gz IFRNOBAOYWXLLQ-SNVBAGLBSA-N 0 3 357.248 2.251 20 10 FECDHN COc1ccc(N2CC[C@H](CNC(=S)NC3CCN(C)CC3)C2)cc1 ZINC000819021612 675253213 /nfs/dbraw/zinc/25/32/13/675253213.db2.gz UFTYIKYJCSDOGU-OAHLLOKOSA-N 0 3 362.543 2.080 20 10 FECDHN C[C@@H](NC[C@@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000840827390 680845139 /nfs/dbraw/zinc/84/51/39/680845139.db2.gz ISTRYCLQFCWDGL-KGLIPLIRSA-N 0 3 351.878 2.353 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1[O-] ZINC000840961898 680857455 /nfs/dbraw/zinc/85/74/55/680857455.db2.gz FXXDYWAXRWVFDR-GWCFXTLKSA-N 0 3 360.248 2.040 20 10 FECDHN CCS(=O)(=O)CCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840974005 680858127 /nfs/dbraw/zinc/85/81/27/680858127.db2.gz ZOJDHISLHNOZJS-UHFFFAOYSA-N 0 3 369.487 2.500 20 10 FECDHN C[C@H]1C[C@H]([NH2+]C2CCN(CCS(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000756562002 680485871 /nfs/dbraw/zinc/48/58/71/680485871.db2.gz DKWNTOCYXCDRDR-WFASDCNBSA-N 0 3 370.490 2.178 20 10 FECDHN Cc1ccncc1[C@@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000772454679 681098148 /nfs/dbraw/zinc/09/81/48/681098148.db2.gz JDURGIXVYBEEJX-MRXNPFEDSA-N 0 3 359.495 2.476 20 10 FECDHN O=S1(=O)CCC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000775396393 681303836 /nfs/dbraw/zinc/30/38/36/681303836.db2.gz SXHBYKNCJGIILJ-HOTGVXAUSA-N 0 3 372.918 2.177 20 10 FECDHN COc1cc(Br)cc([C@@H](C)N[C@@H](C)C(=O)NCCF)c1O ZINC000848548914 681575756 /nfs/dbraw/zinc/57/57/56/681575756.db2.gz MCZHKJIETGHDQJ-BDAKNGLRSA-N 0 3 363.227 2.288 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1[O-] ZINC000848548914 681575761 /nfs/dbraw/zinc/57/57/61/681575761.db2.gz MCZHKJIETGHDQJ-BDAKNGLRSA-N 0 3 363.227 2.288 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c1[O-] ZINC000848552108 681576211 /nfs/dbraw/zinc/57/62/11/681576211.db2.gz HETPSYVIAKGIFQ-PSLIRLAXSA-N 0 3 357.248 2.483 20 10 FECDHN O=[N+]([O-])c1cc(CNC[C@H]2CCS(=O)(=O)C2)ccc1N1CCCCC1 ZINC000913173162 685473676 /nfs/dbraw/zinc/47/36/76/685473676.db2.gz SEMYOXSAJAOVKG-OAHLLOKOSA-N 0 3 367.471 2.109 20 10 FECDHN C[C@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000927033720 683201143 /nfs/dbraw/zinc/20/11/43/683201143.db2.gz PZRGFOLXQNAPBA-MAUKXSAKSA-N 0 3 354.516 2.123 20 10 FECDHN CN1CCN(CC[NH2+]Cc2cccc(Br)c2[O-])CC1(C)C ZINC000799346759 683447744 /nfs/dbraw/zinc/44/77/44/683447744.db2.gz RMTIWISGPOLYSZ-UHFFFAOYSA-N 0 3 356.308 2.270 20 10 FECDHN COc1cc(N2CCN(CC[C@@H](O)C(C)C)CC2)cc(OC)c1OC ZINC000878430888 686583870 /nfs/dbraw/zinc/58/38/70/686583870.db2.gz VWGWCIKXYLTJOI-MRXNPFEDSA-N 0 3 352.475 2.241 20 10 FECDHN CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccc(Cl)c3[O-])C2)CC1 ZINC000893023443 689282742 /nfs/dbraw/zinc/28/27/42/689282742.db2.gz QWHAJXUVHFEACD-AWEZNQCLSA-N 0 3 366.893 2.013 20 10 FECDHN CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3cccc(Cl)c3[O-])C2)CC1 ZINC000893023443 689282748 /nfs/dbraw/zinc/28/27/48/689282748.db2.gz QWHAJXUVHFEACD-AWEZNQCLSA-N 0 3 366.893 2.013 20 10 FECDHN COC(=O)c1c(CNC[C@@]2(O)CCSC2)c2cc(F)ccc2n1C ZINC000894325210 689509613 /nfs/dbraw/zinc/50/96/13/689509613.db2.gz GDMWIOHCKGWQOD-KRWDZBQOSA-N 0 3 352.431 2.062 20 10 FECDHN COc1cc(Br)cc(CN2C[C@@H]3CN(C(C)=O)C[C@@H]3C2)c1O ZINC000895575778 689738560 /nfs/dbraw/zinc/73/85/60/689738560.db2.gz IYBHQAOGUARRHL-BETUJISGSA-N 0 3 369.259 2.073 20 10 FECDHN CC(C)[C@@](C)(CO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100920 690304355 /nfs/dbraw/zinc/30/43/55/690304355.db2.gz CZVJKYRCKUSUIX-PKOBYXMFSA-N 0 3 350.507 2.062 20 10 FECDHN CCCCN(CCO)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101065 690304454 /nfs/dbraw/zinc/30/44/54/690304454.db2.gz HQPWUTOTXYAQMO-GOSISDBHSA-N 0 3 350.507 2.159 20 10 FECDHN CCN(C[C@H](C)OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105513 690304866 /nfs/dbraw/zinc/30/48/66/690304866.db2.gz XTFHJHPLYVNGRQ-MAUKXSAKSA-N 0 3 350.507 2.422 20 10 FECDHN COCCn1cc(CNCc2cc(Br)cc(OC)c2O)cn1 ZINC000800287626 674038473 /nfs/dbraw/zinc/03/84/73/674038473.db2.gz NAEXKWCRVOMZEG-UHFFFAOYSA-N 0 3 370.247 2.296 20 10 FECDHN N[C@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000129743435 544125820 /nfs/dbraw/zinc/12/58/20/544125820.db2.gz SASPNSACJSCTCM-GOSISDBHSA-N 0 3 357.429 2.369 20 10 FECDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000151073798 544502296 /nfs/dbraw/zinc/50/22/96/544502296.db2.gz AIIVWLAKMLBPQZ-MRXNPFEDSA-N 0 3 364.453 2.350 20 10 FECDHN CCN1CCN(c2cccc(NC(=O)c3ccc4c(c3)nnn4C)c2)CC1 ZINC000184265798 547796867 /nfs/dbraw/zinc/79/68/67/547796867.db2.gz VZSMYALDEQJFBY-UHFFFAOYSA-N 0 3 364.453 2.363 20 10 FECDHN COc1cc(O)c(CN2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1OC ZINC000194924046 548552240 /nfs/dbraw/zinc/55/22/40/548552240.db2.gz RBARZDZCTKWKNW-GFCCVEGCSA-N 0 3 362.430 2.238 20 10 FECDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](CN)c1ccccc1 ZINC000237222318 548809996 /nfs/dbraw/zinc/80/99/96/548809996.db2.gz IDIRFSDCFYJRDJ-HXUWFJFHSA-N 0 3 353.466 2.224 20 10 FECDHN CC[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)N(CC)CC ZINC000265603444 550011905 /nfs/dbraw/zinc/01/19/05/550011905.db2.gz MUZKLZCBCCBIOT-KRWDZBQOSA-N 0 3 351.466 2.399 20 10 FECDHN CN1CCN(CCCNC(=O)Cc2ccc(N)cc2)[C@@H](c2ccccc2)C1 ZINC000269244903 550171691 /nfs/dbraw/zinc/17/16/91/550171691.db2.gz DBJVSZBLAMIXOS-OAQYLSRUSA-N 0 3 366.509 2.306 20 10 FECDHN CCN1CCN(Cc2ccccc2CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000269312247 550179728 /nfs/dbraw/zinc/17/97/28/550179728.db2.gz XFGKROPASKKJAO-UHFFFAOYSA-N 0 3 366.509 2.265 20 10 FECDHN COc1cc(C[NH2+]Cc2cc(F)ccc2[O-])ccc1OCC(=O)N(C)C ZINC000272525841 550455789 /nfs/dbraw/zinc/45/57/89/550455789.db2.gz YXAIDBMRFBQCTH-UHFFFAOYSA-N 0 3 362.401 2.297 20 10 FECDHN COC(=O)COc1ccc(CN(C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000274832261 550558247 /nfs/dbraw/zinc/55/82/47/550558247.db2.gz VBAUKRGZZZFPCN-UHFFFAOYSA-N 0 3 359.378 2.305 20 10 FECDHN COc1cc([O-])c(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)cc1OC ZINC000278763456 550819667 /nfs/dbraw/zinc/81/96/67/550819667.db2.gz UBIXXKVZLQXKQP-HNNXBMFYSA-N 0 3 360.458 2.210 20 10 FECDHN CCOC(=O)[C@]1(COC)CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000281381031 551090317 /nfs/dbraw/zinc/09/03/17/551090317.db2.gz WEGVFIFAEMTDMF-LJQANCHMSA-N 0 3 367.442 2.201 20 10 FECDHN CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000281381031 551090319 /nfs/dbraw/zinc/09/03/19/551090319.db2.gz WEGVFIFAEMTDMF-LJQANCHMSA-N 0 3 367.442 2.201 20 10 FECDHN CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000281381031 551090320 /nfs/dbraw/zinc/09/03/20/551090320.db2.gz WEGVFIFAEMTDMF-LJQANCHMSA-N 0 3 367.442 2.201 20 10 FECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000282540524 551244032 /nfs/dbraw/zinc/24/40/32/551244032.db2.gz VYXPGVPACZTRJT-OAHLLOKOSA-N 0 3 361.486 2.107 20 10 FECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000282540524 551244034 /nfs/dbraw/zinc/24/40/34/551244034.db2.gz VYXPGVPACZTRJT-OAHLLOKOSA-N 0 3 361.486 2.107 20 10 FECDHN COc1cc(O)c(CN2CCCC[C@@H]2COC(=O)N(C)C)cc1OC ZINC000289529585 552335970 /nfs/dbraw/zinc/33/59/70/552335970.db2.gz HOLDAJGFTGXQCS-CQSZACIVSA-N 0 3 352.431 2.462 20 10 FECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000290368017 552468033 /nfs/dbraw/zinc/46/80/33/552468033.db2.gz HFTKFJUUCVTXDN-FXAWDEMLSA-N 0 3 356.466 2.373 20 10 FECDHN Cc1ccc(C(=O)NCc2ccncc2OCCC[NH+](C)C)c([O-])c1O ZINC000293244760 552802989 /nfs/dbraw/zinc/80/29/89/552802989.db2.gz FMUREISMVWTWES-UHFFFAOYSA-N 0 3 359.426 2.062 20 10 FECDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000294820770 552936480 /nfs/dbraw/zinc/93/64/80/552936480.db2.gz GCUAVCXBXHYHEV-UHFFFAOYSA-N 0 3 367.449 2.486 20 10 FECDHN COCCCN1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000363117732 555033983 /nfs/dbraw/zinc/03/39/83/555033983.db2.gz KVVIXAVZRVBUTH-UHFFFAOYSA-N 0 3 374.529 2.323 20 10 FECDHN CCCOc1ccc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c(O)c1 ZINC000366536749 555870661 /nfs/dbraw/zinc/87/06/61/555870661.db2.gz SUPXJCGGPNPFLZ-IBGZPJMESA-N 0 3 361.442 2.086 20 10 FECDHN COCCCN1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000369660051 556661360 /nfs/dbraw/zinc/66/13/60/556661360.db2.gz FMEJYKJATXBRGB-UHFFFAOYSA-N 0 3 372.513 2.317 20 10 FECDHN COC(=O)c1ccnc(N2CCC([NH2+]Cc3cccc(OC)c3[O-])CC2)c1 ZINC000371831755 557306014 /nfs/dbraw/zinc/30/60/14/557306014.db2.gz BNVWHEIFVYUPFR-UHFFFAOYSA-N 0 3 371.437 2.341 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)c1 ZINC000377725599 558405877 /nfs/dbraw/zinc/40/58/77/558405877.db2.gz ZQYMMGMDNLJAJH-BPUTZDHNSA-N 0 3 362.449 2.398 20 10 FECDHN COc1cc(O)c(CN[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC ZINC000378451030 558560506 /nfs/dbraw/zinc/56/05/06/558560506.db2.gz IRPSIYXKHNWZLE-MRXNPFEDSA-N 0 3 356.422 2.300 20 10 FECDHN CC[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213806 674537308 /nfs/dbraw/zinc/53/73/08/674537308.db2.gz HXFGDNLDQCEYSV-AWEZNQCLSA-N 0 3 359.392 2.226 20 10 FECDHN CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000092303776 670737326 /nfs/dbraw/zinc/73/73/26/670737326.db2.gz KJZOPEKGKRORHS-HNNXBMFYSA-N 0 3 364.467 2.068 20 10 FECDHN CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000092303776 670737329 /nfs/dbraw/zinc/73/73/29/670737329.db2.gz KJZOPEKGKRORHS-HNNXBMFYSA-N 0 3 364.467 2.068 20 10 FECDHN CCCN(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000123532863 671981353 /nfs/dbraw/zinc/98/13/53/671981353.db2.gz WTQSKJNOYPPDOR-GASCZTMLSA-N 0 3 351.466 2.397 20 10 FECDHN CN(C)c1ccc(CNC[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000818985598 675249937 /nfs/dbraw/zinc/24/99/37/675249937.db2.gz VYXZRWFXFYCCLK-SFHVURJKSA-N 0 3 366.458 2.118 20 10 FECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824828179 675623853 /nfs/dbraw/zinc/62/38/53/675623853.db2.gz LUJXAVSJZPLHQJ-VXGBXAGGSA-N 0 3 358.360 2.243 20 10 FECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824828179 675623857 /nfs/dbraw/zinc/62/38/57/675623857.db2.gz LUJXAVSJZPLHQJ-VXGBXAGGSA-N 0 3 358.360 2.243 20 10 FECDHN COc1ccc(O)c(CNCc2cccc(S(=O)(=O)NC(C)C)c2)c1 ZINC000839148842 680741650 /nfs/dbraw/zinc/74/16/50/680741650.db2.gz NLKVHSAGYLLHHQ-UHFFFAOYSA-N 0 3 364.467 2.377 20 10 FECDHN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H](O)C(F)(F)F ZINC000765787277 680855144 /nfs/dbraw/zinc/85/51/44/680855144.db2.gz KJLMUVYUWKNXNX-HIFRSBDPSA-N 0 3 350.356 2.454 20 10 FECDHN CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000756446567 680479399 /nfs/dbraw/zinc/47/93/99/680479399.db2.gz SCCGRAUWMTYNNX-GFCCVEGCSA-N 0 3 352.431 2.431 20 10 FECDHN C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756450954 680479771 /nfs/dbraw/zinc/47/97/71/680479771.db2.gz WPVKQDATQSNYRL-PWSUYJOCSA-N 0 3 361.255 2.401 20 10 FECDHN C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756459426 680479999 /nfs/dbraw/zinc/47/99/99/680479999.db2.gz NZMWWQMPUOYJOS-QWRGUYRKSA-N 0 3 361.255 2.401 20 10 FECDHN C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756459426 680480000 /nfs/dbraw/zinc/48/00/00/680480000.db2.gz NZMWWQMPUOYJOS-QWRGUYRKSA-N 0 3 361.255 2.401 20 10 FECDHN C[C@H]1C[C@@H]([NH2+]C2CCN(CCS(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000756562001 680485674 /nfs/dbraw/zinc/48/56/74/680485674.db2.gz DKWNTOCYXCDRDR-SWLSCSKDSA-N 0 3 370.490 2.178 20 10 FECDHN Cc1cncc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000768226742 680941402 /nfs/dbraw/zinc/94/14/02/680941402.db2.gz YUTLVEQQFVIXGN-MRXNPFEDSA-N 0 3 359.495 2.476 20 10 FECDHN O=C(NC[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1)[C@@H]1CCC[NH2+]1 ZINC000843058320 680985050 /nfs/dbraw/zinc/98/50/50/680985050.db2.gz RQAVQZRAFVVKCN-DOMZBBRYSA-N 0 3 369.868 2.265 20 10 FECDHN Cc1cc(N(C)C)ccc1CNC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000843417323 681002952 /nfs/dbraw/zinc/00/29/52/681002952.db2.gz AYKSSJQSDDPXTC-KRWDZBQOSA-N 0 3 360.479 2.386 20 10 FECDHN CCN1C[C@@H](C[NH2+]Cc2cc(Br)cc(OC)c2[O-])CC1=O ZINC000846092914 681182062 /nfs/dbraw/zinc/18/20/62/681182062.db2.gz KIPPTODMCVNNAN-SNVBAGLBSA-N 0 3 357.248 2.121 20 10 FECDHN COc1cccc([C@@H](C)NCCS(=O)(=O)NCc2ccccc2)c1O ZINC000846146616 681189108 /nfs/dbraw/zinc/18/91/08/681189108.db2.gz SSNLOLIYKKPVCB-CQSZACIVSA-N 0 3 364.467 2.171 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1[O-] ZINC000848549798 681576298 /nfs/dbraw/zinc/57/62/98/681576298.db2.gz UNTMFTRLSUZTOS-TUAOUCFPSA-N 0 3 374.275 2.459 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c1[O-] ZINC000848549760 681576315 /nfs/dbraw/zinc/57/63/15/681576315.db2.gz SWIBFYGLFVQREY-FEUHOPSXSA-N 0 3 360.248 2.354 20 10 FECDHN CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCN(C)C1 ZINC000853434712 682413111 /nfs/dbraw/zinc/41/31/11/682413111.db2.gz CQLZPAFFGISJFN-SFHVURJKSA-N 0 3 362.543 2.475 20 10 FECDHN CNS(=O)(=O)C[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000862550684 683600245 /nfs/dbraw/zinc/60/02/45/683600245.db2.gz GTCOFBPNEUHEOA-SFHVURJKSA-N 0 3 365.543 2.438 20 10 FECDHN COc1nnc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000931029855 683821075 /nfs/dbraw/zinc/82/10/75/683821075.db2.gz DURXJNPWFPEYNY-CYBMUJFWSA-N 0 3 364.475 2.037 20 10 FECDHN COc1ncc(CNCCN2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000876980743 686305034 /nfs/dbraw/zinc/30/50/34/686305034.db2.gz NHKSUTRNDKHLRH-UHFFFAOYSA-N 0 3 362.499 2.072 20 10 FECDHN Cc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c([O-])c1 ZINC000877031076 686314431 /nfs/dbraw/zinc/31/44/31/686314431.db2.gz QRVGEQHWUOTTRA-UHFFFAOYSA-N 0 3 360.479 2.225 20 10 FECDHN C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1[O-] ZINC000879647737 686879848 /nfs/dbraw/zinc/87/98/48/686879848.db2.gz JRGWSXZMPJBLMA-CQSZACIVSA-N 0 3 364.467 2.372 20 10 FECDHN NC(=O)C1(N2CCCCC2)CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000895550767 689733976 /nfs/dbraw/zinc/73/39/76/689733976.db2.gz KMSKSOHCJVDSPM-UHFFFAOYSA-N 0 3 369.868 2.491 20 10 FECDHN COc1ccc(N2CCC(N(C)C(=O)NC3CCN(C)CC3)CC2)cc1 ZINC000066174570 541286034 /nfs/dbraw/zinc/28/60/34/541286034.db2.gz FUXNMUWZWBWPIN-UHFFFAOYSA-N 0 3 360.502 2.400 20 10 FECDHN CS(=O)(=O)N1CC[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2[O-])C1 ZINC000801522976 674133709 /nfs/dbraw/zinc/13/37/09/674133709.db2.gz HXWCDPYNNJSBKZ-HNNXBMFYSA-N 0 3 364.467 2.269 20 10 FECDHN CS(=O)(=O)N1CC[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2[O-])C1 ZINC000801522976 674133712 /nfs/dbraw/zinc/13/37/12/674133712.db2.gz HXWCDPYNNJSBKZ-HNNXBMFYSA-N 0 3 364.467 2.269 20 10 FECDHN COc1cccc(C[NH+]2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1[O-] ZINC000091921414 542832706 /nfs/dbraw/zinc/83/27/06/542832706.db2.gz HFMRODWMFJPXKU-GJZGRUSLSA-N 0 3 362.470 2.249 20 10 FECDHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092011057 542838061 /nfs/dbraw/zinc/83/80/61/542838061.db2.gz XJGKEKJYLPDZAY-UYAOXDASSA-N 0 3 370.497 2.202 20 10 FECDHN CCOc1ccc(O)c(CN2CCC(NC(=O)C3CCOCC3)CC2)c1 ZINC000120099417 543675321 /nfs/dbraw/zinc/67/53/21/543675321.db2.gz HGVOCDIRTDZEKL-UHFFFAOYSA-N 0 3 362.470 2.298 20 10 FECDHN COCCN1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000173398713 546280676 /nfs/dbraw/zinc/28/06/76/546280676.db2.gz IFFWRFZXQYJMPL-UHFFFAOYSA-N 0 3 361.486 2.181 20 10 FECDHN COc1ccc(O)c(CN2CCN(CCCOCC(F)(F)F)CC2)c1 ZINC000179858227 547021356 /nfs/dbraw/zinc/02/13/56/547021356.db2.gz TXARPSLJWFALOI-UHFFFAOYSA-N 0 3 362.392 2.487 20 10 FECDHN CN(CCCN1CCN(C)CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000182374687 547481032 /nfs/dbraw/zinc/48/10/32/547481032.db2.gz JSPSNTWLRKXWMT-UHFFFAOYSA-N 0 3 373.545 2.066 20 10 FECDHN O=S1(=O)CCC[C@@H](N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000183045724 547591605 /nfs/dbraw/zinc/59/16/05/547591605.db2.gz BABHYQLWGOHDSF-UONOGXRCSA-N 0 3 374.453 2.424 20 10 FECDHN COc1ccc(O)c([C@H](C)NCCNS(=O)(=O)c2ccc(C)cc2)c1 ZINC000185194968 547949520 /nfs/dbraw/zinc/94/95/20/547949520.db2.gz ISFVICYSTREFOK-AWEZNQCLSA-N 0 3 364.467 2.338 20 10 FECDHN C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(F)ccc1[O-] ZINC000186159087 548092572 /nfs/dbraw/zinc/09/25/72/548092572.db2.gz DJYXXFSLHDNJKV-CMPLNLGQSA-N 0 3 359.444 2.078 20 10 FECDHN CN(C)c1noc(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000191909375 548352612 /nfs/dbraw/zinc/35/26/12/548352612.db2.gz ZEBCYZIUJLDUJI-UHFFFAOYSA-N 0 3 371.485 2.352 20 10 FECDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@H]1OCCc2ccccc21 ZINC000237833570 548856811 /nfs/dbraw/zinc/85/68/11/548856811.db2.gz WXTHJRHHFOUGJY-FQEVSTJZSA-N 0 3 369.440 2.166 20 10 FECDHN C[C@@H]1CN(c2ccc(CNC(=O)C3CCN(C)CC3)cc2F)C[C@@H](C)O1 ZINC000266115346 550017239 /nfs/dbraw/zinc/01/72/39/550017239.db2.gz GVBXHIWNWBDGTJ-HUUCEWRRSA-N 0 3 363.477 2.397 20 10 FECDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1[O-] ZINC000272456179 550449723 /nfs/dbraw/zinc/44/97/23/550449723.db2.gz XEXJLSQPEMCPBK-GOEBONIOSA-N 0 3 359.875 2.180 20 10 FECDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c([O-])c1C ZINC000273390333 550496703 /nfs/dbraw/zinc/49/67/03/550496703.db2.gz KNSVCPPLLWQCFB-AWEZNQCLSA-N 0 3 355.438 2.075 20 10 FECDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c1[O-] ZINC000273761553 550510608 /nfs/dbraw/zinc/51/06/08/550510608.db2.gz OZRDSRZJMSMXIP-OAHLLOKOSA-N 0 3 361.866 2.289 20 10 FECDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c1[O-] ZINC000273761553 550510611 /nfs/dbraw/zinc/51/06/11/550510611.db2.gz OZRDSRZJMSMXIP-OAHLLOKOSA-N 0 3 361.866 2.289 20 10 FECDHN COc1cc([O-])c(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)cc1OC ZINC000278763470 550819548 /nfs/dbraw/zinc/81/95/48/550819548.db2.gz UBIXXKVZLQXKQP-OAHLLOKOSA-N 0 3 360.458 2.210 20 10 FECDHN CC(=O)N1CCN(CCNCc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000279979676 550949015 /nfs/dbraw/zinc/94/90/15/550949015.db2.gz QLICBZJNQYOGSE-UHFFFAOYSA-N 0 3 372.435 2.025 20 10 FECDHN CCCCN(CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccccc1O ZINC000282518083 551241022 /nfs/dbraw/zinc/24/10/22/551241022.db2.gz STYGNFKDOBGORK-UHFFFAOYSA-N 0 3 362.470 2.406 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC3(CCOCC3)CC1)cc2=O ZINC000284008228 551466721 /nfs/dbraw/zinc/46/67/21/551466721.db2.gz DVLPZQPMPPFAMW-UHFFFAOYSA-N 0 3 374.441 2.004 20 10 FECDHN CNC(=O)CC[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286356811 551878256 /nfs/dbraw/zinc/87/82/56/551878256.db2.gz HFWPVDRNKRUJLD-LJQANCHMSA-N 0 3 374.529 2.092 20 10 FECDHN CCCOc1ccc(CN2CCC(NS(=O)(=O)CC)CC2)c(O)c1 ZINC000289410814 552317035 /nfs/dbraw/zinc/31/70/35/552317035.db2.gz HWSVNUCTPDKIIA-UHFFFAOYSA-N 0 3 356.488 2.085 20 10 FECDHN COc1ccc([O-])c(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000290368037 552467880 /nfs/dbraw/zinc/46/78/80/552467880.db2.gz HFTKFJUUCVTXDN-XLIONFOSSA-N 0 3 356.466 2.373 20 10 FECDHN COc1cc([O-])c(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1OC ZINC000294002932 552874388 /nfs/dbraw/zinc/87/43/88/552874388.db2.gz MJLIDMPSWKPDLH-SFHVURJKSA-N 0 3 351.443 2.067 20 10 FECDHN CNC(=O)C[C@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000298711465 553462280 /nfs/dbraw/zinc/46/22/80/553462280.db2.gz ULOUQYLJMBVCOS-LBPRGKRZSA-N 0 3 359.392 2.156 20 10 FECDHN Cc1cccc(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)c1[O-] ZINC000362043027 554945908 /nfs/dbraw/zinc/94/59/08/554945908.db2.gz VPFGVGPMZUAAPZ-OAHLLOKOSA-N 0 3 352.442 2.145 20 10 FECDHN Cn1cc([C@H]2[C@@H](C[NH2+]Cc3cc4c(cc3[O-])OCO4)CCCN2C)cn1 ZINC000363177510 555046639 /nfs/dbraw/zinc/04/66/39/555046639.db2.gz VHUMSXXZVXUVAX-BFUOFWGJSA-N 0 3 358.442 2.027 20 10 FECDHN O=C(CN1CCC[C@H]1C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000363384125 555091205 /nfs/dbraw/zinc/09/12/05/555091205.db2.gz GIKRSVTVGRUTLV-SFHVURJKSA-N 0 3 361.461 2.153 20 10 FECDHN Cc1nccc(CN2CCC[C@H](NCc3ccc4c(c3)CCO4)C2=O)n1 ZINC000363960217 555222257 /nfs/dbraw/zinc/22/22/57/555222257.db2.gz GCELMOQWBOJILV-SFHVURJKSA-N 0 3 352.438 2.001 20 10 FECDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000364734124 555388881 /nfs/dbraw/zinc/38/88/81/555388881.db2.gz JDKVFJOOYDLNGM-OPYAIIAOSA-N 0 3 357.498 2.436 20 10 FECDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000364734126 555388921 /nfs/dbraw/zinc/38/89/21/555388921.db2.gz JDKVFJOOYDLNGM-WAOWUJCRSA-N 0 3 357.498 2.436 20 10 FECDHN CCCN1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000364985155 555457186 /nfs/dbraw/zinc/45/71/86/555457186.db2.gz IQKKDBOTPPMSCD-GQCTYLIASA-N 0 3 373.497 2.130 20 10 FECDHN OCC1([C@H](NCc2ccc(N3CCOCC3)cc2)[C@H]2CCCO2)CCC1 ZINC000367960153 556182771 /nfs/dbraw/zinc/18/27/71/556182771.db2.gz XIIOTMICVUNNHV-WOJBJXKFSA-N 0 3 360.498 2.323 20 10 FECDHN CCOc1cccc(C[N@H+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)c1[O-] ZINC000372428743 557468266 /nfs/dbraw/zinc/46/82/66/557468266.db2.gz QOCOLGWTPHNJHZ-IYBDPMFKSA-N 0 3 372.469 2.300 20 10 FECDHN CCOc1cccc(C[N@@H+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)c1[O-] ZINC000372428743 557468267 /nfs/dbraw/zinc/46/82/67/557468267.db2.gz QOCOLGWTPHNJHZ-IYBDPMFKSA-N 0 3 372.469 2.300 20 10 FECDHN CN1CCN(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)C(=O)C1 ZINC000373124244 557633676 /nfs/dbraw/zinc/63/36/76/557633676.db2.gz KPVHKYJJHLRRTQ-UHFFFAOYSA-N 0 3 353.466 2.284 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c([O-])c1 ZINC000375179174 557987923 /nfs/dbraw/zinc/98/79/23/557987923.db2.gz WLZFEELWCMSHJI-OAHLLOKOSA-N 0 3 374.441 2.396 20 10 FECDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c([O-])c1 ZINC000375179174 557987924 /nfs/dbraw/zinc/98/79/24/557987924.db2.gz WLZFEELWCMSHJI-OAHLLOKOSA-N 0 3 374.441 2.396 20 10 FECDHN COC(=O)c1ccnc(N2CCC([NH2+]Cc3cc(OC)ccc3[O-])CC2)c1 ZINC000376856325 558230265 /nfs/dbraw/zinc/23/02/65/558230265.db2.gz OBFYKNSVKOZLKI-UHFFFAOYSA-N 0 3 371.437 2.341 20 10 FECDHN C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c2c1c(F)ccc2[O-] ZINC000527955347 562309538 /nfs/dbraw/zinc/30/95/38/562309538.db2.gz NPAPXKCTMJYPBR-WAWZGNHOSA-N 0 3 364.461 2.285 20 10 FECDHN CN(C)c1ccc(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000808766309 674471480 /nfs/dbraw/zinc/47/14/80/674471480.db2.gz PTSLRCDONJELND-MRXNPFEDSA-N 0 3 351.516 2.046 20 10 FECDHN O=C([N-]CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(F)(F)F ZINC000091619272 670729672 /nfs/dbraw/zinc/72/96/72/670729672.db2.gz HXGPRTPLDYCNIX-CQSZACIVSA-N 0 3 360.376 2.442 20 10 FECDHN O=C([N-]CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(F)(F)F ZINC000091619272 670729677 /nfs/dbraw/zinc/72/96/77/670729677.db2.gz HXGPRTPLDYCNIX-CQSZACIVSA-N 0 3 360.376 2.442 20 10 FECDHN COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000182348342 672443698 /nfs/dbraw/zinc/44/36/98/672443698.db2.gz GIJMIQKBVFDLJF-CYBMUJFWSA-N 0 3 360.435 2.397 20 10 FECDHN C[C@@H](NC[C@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000840827392 680845167 /nfs/dbraw/zinc/84/51/67/680845167.db2.gz ISTRYCLQFCWDGL-ZIAGYGMSSA-N 0 3 351.878 2.353 20 10 FECDHN COc1cc(Br)cc(CN[C@@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835073580 680293228 /nfs/dbraw/zinc/29/32/28/680293228.db2.gz NMIGKQSAMPDVDG-CHWSQXEVSA-N 0 3 369.259 2.406 20 10 FECDHN CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c([O-])c1 ZINC000769003818 680967557 /nfs/dbraw/zinc/96/75/57/680967557.db2.gz GKPBBTGNFFREQN-HOCLYGCPSA-N 0 3 350.459 2.154 20 10 FECDHN CCOc1ccc(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c([O-])c1 ZINC000769003818 680967560 /nfs/dbraw/zinc/96/75/60/680967560.db2.gz GKPBBTGNFFREQN-HOCLYGCPSA-N 0 3 350.459 2.154 20 10 FECDHN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H](N)CC(F)F)cc1 ZINC000843488247 681006596 /nfs/dbraw/zinc/00/65/96/681006596.db2.gz VIALWRMKYWHAMQ-CVEARBPZSA-N 0 3 355.429 2.243 20 10 FECDHN CCOCc1cc(CN[C@]2(CC(=O)OC)CCCOC2)ccc1OC ZINC000770676776 681023504 /nfs/dbraw/zinc/02/35/04/681023504.db2.gz IGSXXVPDEYKRSD-IBGZPJMESA-N 0 3 351.443 2.434 20 10 FECDHN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc2F)C[C@@H](C)O1 ZINC000844173437 681043070 /nfs/dbraw/zinc/04/30/70/681043070.db2.gz BFGGYASFFRZGRA-PBFPGSCMSA-N 0 3 351.466 2.429 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CC[C@]2(O)CCCOC2)c1[O-] ZINC000846111149 681184111 /nfs/dbraw/zinc/18/41/11/681184111.db2.gz RSUBOZYXFKVSQJ-OAHLLOKOSA-N 0 3 360.248 2.185 20 10 FECDHN CNS(=O)(=O)c1cccc(CN[C@H](C)c2cccc(OC)c2O)c1 ZINC000846147534 681189499 /nfs/dbraw/zinc/18/94/99/681189499.db2.gz VQFZLPATHUNJRK-GFCCVEGCSA-N 0 3 350.440 2.160 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cn2cncn2)c1[O-] ZINC000848525269 681571352 /nfs/dbraw/zinc/57/13/52/681571352.db2.gz LCASKVFTUQNQHX-NXEZZACHSA-N 0 3 355.236 2.494 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c1[O-] ZINC000848535213 681573636 /nfs/dbraw/zinc/57/36/36/681573636.db2.gz BMCDMGPMYQQERV-IUCAKERBSA-N 0 3 366.277 2.247 20 10 FECDHN COc1cc(Br)cc([C@H](C)N[C@@H](C)C(=O)NCCF)c1O ZINC000848548916 681575538 /nfs/dbraw/zinc/57/55/38/681575538.db2.gz MCZHKJIETGHDQJ-IUCAKERBSA-N 0 3 363.227 2.288 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1[O-] ZINC000848548916 681575542 /nfs/dbraw/zinc/57/55/42/681575542.db2.gz MCZHKJIETGHDQJ-IUCAKERBSA-N 0 3 363.227 2.288 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)c1[O-] ZINC000848555163 681577831 /nfs/dbraw/zinc/57/78/31/681577831.db2.gz MEPLSLRKKSKJMT-ZUZCIYMTSA-N 0 3 360.248 2.355 20 10 FECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)c1[O-] ZINC000850510987 681910345 /nfs/dbraw/zinc/91/03/45/681910345.db2.gz ZANMREMSZGYFLB-WBMJQRKESA-N 0 3 374.275 2.282 20 10 FECDHN CC[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000794803561 682997156 /nfs/dbraw/zinc/99/71/56/682997156.db2.gz ALCQEAFMPMYUIV-KRWDZBQOSA-N 0 3 354.516 2.250 20 10 FECDHN C[C@@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000927033721 683201007 /nfs/dbraw/zinc/20/10/07/683201007.db2.gz PZRGFOLXQNAPBA-QAPCUYQASA-N 0 3 354.516 2.123 20 10 FECDHN C[C@@H]([NH2+]C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)c1ccccc1[O-] ZINC000931553313 684302310 /nfs/dbraw/zinc/30/23/10/684302310.db2.gz BKUADNSIGKQSIV-CJNGLKHVSA-N 0 3 370.515 2.044 20 10 FECDHN COc1ccc2ccc(O)c(CN3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)c2c1 ZINC000872797196 685017123 /nfs/dbraw/zinc/01/71/23/685017123.db2.gz XLUIBCFARKGKMP-GJZGRUSLSA-N 0 3 361.463 2.421 20 10 FECDHN O[C@H]([C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877571646 686411987 /nfs/dbraw/zinc/41/19/87/686411987.db2.gz GVQRKFIJBIKUAV-RHSMWYFYSA-N 0 3 358.404 2.393 20 10 FECDHN CO[C@]12CCC[C@@]1(NCc1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000896413858 689871338 /nfs/dbraw/zinc/87/13/38/689871338.db2.gz XXLVKURWEBEHEI-MOPGFXCFSA-N 0 3 350.434 2.438 20 10 FECDHN CS[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1N(C)C ZINC000897238007 689992919 /nfs/dbraw/zinc/99/29/19/689992919.db2.gz SZNFMXOUCNJAOX-MEBBXXQBSA-N 0 3 352.481 2.430 20 10 FECDHN COc1cccc(CN2CCC(S(=O)(=O)N3CCCCC3)CC2)c1O ZINC000897274395 689998969 /nfs/dbraw/zinc/99/89/69/689998969.db2.gz JJSRVIWCNDJMCP-UHFFFAOYSA-N 0 3 368.499 2.181 20 10 FECDHN Cc1cc(O)c(CN2CCN(c3ncnc4c3cnn4C)CC2)cc1C ZINC000023615836 539716512 /nfs/dbraw/zinc/71/65/12/539716512.db2.gz RWBRHAASIYBIGR-UHFFFAOYSA-N 0 3 352.442 2.008 20 10 FECDHN C[C@@H]1CCCCN1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054787081 540609936 /nfs/dbraw/zinc/60/99/36/540609936.db2.gz DWTJLPSBAKWSTB-QGZVFWFLSA-N 0 3 360.502 2.197 20 10 FECDHN C[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000090769395 542788413 /nfs/dbraw/zinc/78/84/13/542788413.db2.gz NYOAEPHVOYTXPL-CJNGLKHVSA-N 0 3 368.524 2.300 20 10 FECDHN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093663791 542937635 /nfs/dbraw/zinc/93/76/35/542937635.db2.gz QKDXXKVRVJDFFW-ZDUSSCGKSA-N 0 3 355.276 2.309 20 10 FECDHN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093663791 542937637 /nfs/dbraw/zinc/93/76/37/542937637.db2.gz QKDXXKVRVJDFFW-ZDUSSCGKSA-N 0 3 355.276 2.309 20 10 FECDHN C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccccc1[O-] ZINC000183608415 547688566 /nfs/dbraw/zinc/68/85/66/547688566.db2.gz HKONNPIKBDHWRN-CQSZACIVSA-N 0 3 368.499 2.016 20 10 FECDHN COCC[N@H+](C)CCCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193150902 548381421 /nfs/dbraw/zinc/38/14/21/548381421.db2.gz NDYWYGGICPTYPA-UHFFFAOYSA-N 0 3 350.459 2.308 20 10 FECDHN COCC[N@@H+](C)CCCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193150902 548381427 /nfs/dbraw/zinc/38/14/27/548381427.db2.gz NDYWYGGICPTYPA-UHFFFAOYSA-N 0 3 350.459 2.308 20 10 FECDHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000265849423 550015080 /nfs/dbraw/zinc/01/50/80/550015080.db2.gz HXGBSUNIMAXKGV-JKSUJKDBSA-N 0 3 370.490 2.108 20 10 FECDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000267944206 550035911 /nfs/dbraw/zinc/03/59/11/550035911.db2.gz ANAVHUZUPLTVOQ-VQIMIIECSA-N 0 3 360.502 2.005 20 10 FECDHN CC[C@@H](NCCN1CCN(c2ccc(OC)cc2)CC1)c1nccn1C ZINC000271651299 550392257 /nfs/dbraw/zinc/39/22/57/550392257.db2.gz BGJGMJYVFMWSGD-LJQANCHMSA-N 0 3 357.502 2.292 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000271855317 550406343 /nfs/dbraw/zinc/40/63/43/550406343.db2.gz SDIOZJVDOUFDHX-QWHCGFSZSA-N 0 3 361.394 2.220 20 10 FECDHN Cc1ccc([C@H](C)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c(O)c1C ZINC000273501043 550500591 /nfs/dbraw/zinc/50/05/91/550500591.db2.gz QEHLTPVEPJORQY-HOTGVXAUSA-N 0 3 370.515 2.148 20 10 FECDHN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCN1C1CC1 ZINC000279008766 550846225 /nfs/dbraw/zinc/84/62/25/550846225.db2.gz LJUVWSROCRTEFQ-HXUWFJFHSA-N 0 3 357.498 2.138 20 10 FECDHN CCOC(=O)[C@@]1(COC)CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000281381027 551090390 /nfs/dbraw/zinc/09/03/90/551090390.db2.gz WEGVFIFAEMTDMF-IBGZPJMESA-N 0 3 367.442 2.201 20 10 FECDHN CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000281381027 551090392 /nfs/dbraw/zinc/09/03/92/551090392.db2.gz WEGVFIFAEMTDMF-IBGZPJMESA-N 0 3 367.442 2.201 20 10 FECDHN CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000281381027 551090394 /nfs/dbraw/zinc/09/03/94/551090394.db2.gz WEGVFIFAEMTDMF-IBGZPJMESA-N 0 3 367.442 2.201 20 10 FECDHN CCCCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccccc1O ZINC000282500318 551237917 /nfs/dbraw/zinc/23/79/17/551237917.db2.gz QUMDMWRFSMRLIE-UHFFFAOYSA-N 0 3 373.497 2.075 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000285619237 551784203 /nfs/dbraw/zinc/78/42/03/551784203.db2.gz JRAQFULSLAVAFO-CHWSQXEVSA-N 0 3 354.472 2.008 20 10 FECDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000285619237 551784205 /nfs/dbraw/zinc/78/42/05/551784205.db2.gz JRAQFULSLAVAFO-CHWSQXEVSA-N 0 3 354.472 2.008 20 10 FECDHN CCOC(=O)c1cnn(C2CCN(Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000294805557 552935551 /nfs/dbraw/zinc/93/55/51/552935551.db2.gz NIEMNHNLBGSVSF-UHFFFAOYSA-N 0 3 373.409 2.331 20 10 FECDHN Cc1nc(CN(C)[C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)CC2)no1 ZINC000364675696 555371272 /nfs/dbraw/zinc/37/12/72/555371272.db2.gz TXVDAJUIMLNOAJ-OAHLLOKOSA-N 0 3 374.441 2.299 20 10 FECDHN Cc1nc(CN(C)[C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)CC2)no1 ZINC000364675696 555371273 /nfs/dbraw/zinc/37/12/73/555371273.db2.gz TXVDAJUIMLNOAJ-OAHLLOKOSA-N 0 3 374.441 2.299 20 10 FECDHN C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000365338936 555547849 /nfs/dbraw/zinc/54/78/49/555547849.db2.gz SHTRDQSZIAQXJI-BPQIPLTHSA-N 0 3 361.486 2.423 20 10 FECDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1OC ZINC000368405412 556298608 /nfs/dbraw/zinc/29/86/08/556298608.db2.gz YPORTJJWGUCAFB-VBKZILBWSA-N 0 3 374.485 2.316 20 10 FECDHN Cc1nccc(CN2CCC[C@H]([NH2+][C@H](C)c3cc(F)ccc3[O-])C2=O)n1 ZINC000369892876 556723092 /nfs/dbraw/zinc/72/30/92/556723092.db2.gz MYLOEXBQXRTGSS-PXAZEXFGSA-N 0 3 358.417 2.472 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000370865209 556995160 /nfs/dbraw/zinc/99/51/60/556995160.db2.gz OOQBBTNCZHMPCQ-MISYRCLQSA-N 0 3 359.514 2.456 20 10 FECDHN CCOc1ccc([O-])c(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000371084773 557069953 /nfs/dbraw/zinc/06/99/53/557069953.db2.gz HPLJTENYWACXKR-UHFFFAOYSA-N 0 3 368.499 2.227 20 10 FECDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000371554481 557220364 /nfs/dbraw/zinc/22/03/64/557220364.db2.gz QFLVPZFAXZXFEI-UYLUUYTCSA-N 0 3 355.482 2.089 20 10 FECDHN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(N2CCC(O)CC2)cc1 ZINC000374516379 557893688 /nfs/dbraw/zinc/89/36/88/557893688.db2.gz XHGSIMVHARUJAA-CWFSZBLJSA-N 0 3 357.498 2.452 20 10 FECDHN Cc1cc(Cl)cc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)c1[O-] ZINC000374749080 557924897 /nfs/dbraw/zinc/92/48/97/557924897.db2.gz CCJOOGAJCCNINL-UHFFFAOYSA-N 0 3 351.878 2.092 20 10 FECDHN C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000376162780 558135312 /nfs/dbraw/zinc/13/53/12/558135312.db2.gz OOFQRDMRVMTPDX-COCVIAQXSA-N 0 3 357.498 2.308 20 10 FECDHN CN(C)c1ccc(CN[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1F ZINC000377651489 558387114 /nfs/dbraw/zinc/38/71/14/558387114.db2.gz ULIPTHQVRSJLTD-OAHLLOKOSA-N 0 3 356.445 2.359 20 10 FECDHN CCOc1ccc(O)c(CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 ZINC000377695848 558399416 /nfs/dbraw/zinc/39/94/16/558399416.db2.gz KGEMPDJEWTUDIE-UHFFFAOYSA-N 0 3 371.437 2.328 20 10 FECDHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000378442625 558558392 /nfs/dbraw/zinc/55/83/92/558558392.db2.gz KSGQCWSEUZLRFO-GASCZTMLSA-N 0 3 362.470 2.249 20 10 FECDHN COc1ccc(O)c(CN2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000378442625 558558396 /nfs/dbraw/zinc/55/83/96/558558396.db2.gz KSGQCWSEUZLRFO-GASCZTMLSA-N 0 3 362.470 2.249 20 10 FECDHN CCOc1ccc(O)c(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000825643965 607567589 /nfs/dbraw/zinc/56/75/89/607567589.db2.gz YOGGQEYYWRPHJC-UHFFFAOYSA-N 0 3 355.398 2.269 20 10 FECDHN CCOc1ccc(O)c(C[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000825643965 607567590 /nfs/dbraw/zinc/56/75/90/607567590.db2.gz YOGGQEYYWRPHJC-UHFFFAOYSA-N 0 3 355.398 2.269 20 10 FECDHN COc1cc(Br)cc(CN2CCN(CC(C)(C)O)CC2)c1O ZINC000129953242 672068488 /nfs/dbraw/zinc/06/84/88/672068488.db2.gz OGVCQFFQWODNND-UHFFFAOYSA-N 0 3 373.291 2.052 20 10 FECDHN C[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCN(CC(F)(F)F)C1 ZINC000840141725 680801773 /nfs/dbraw/zinc/80/17/73/680801773.db2.gz XEQFPVULUIQBPL-NHYWBVRUSA-N 0 3 360.376 2.134 20 10 FECDHN CN(C)c1ccc(/C=C/CNCCNS(=O)(=O)c2ccccc2)cc1 ZINC000835036695 680289166 /nfs/dbraw/zinc/28/91/66/680289166.db2.gz NBLGFZYTSPMVRG-VOTSOKGWSA-N 0 3 359.495 2.334 20 10 FECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000835067790 680293058 /nfs/dbraw/zinc/29/30/58/680293058.db2.gz VOFQBLJQOYXNQI-CYBMUJFWSA-N 0 3 352.431 2.126 20 10 FECDHN COC(=O)C[C@]1([NH2+]Cc2cc(Br)cc(C)c2[O-])CCOC1 ZINC000768533153 680949417 /nfs/dbraw/zinc/94/94/17/680949417.db2.gz HOZZEBFITKEPRJ-OAHLLOKOSA-N 0 3 358.232 2.275 20 10 FECDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000775373773 681302041 /nfs/dbraw/zinc/30/20/41/681302041.db2.gz WVXGUWYWEFLECQ-ZJUUUORDSA-N 0 3 363.439 2.239 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCCNC2=O)c1[O-] ZINC000848518455 681570301 /nfs/dbraw/zinc/57/03/01/681570301.db2.gz LSWBBBGZPQRWHU-CABZTGNLSA-N 0 3 357.248 2.483 20 10 FECDHN COC(=O)N1CC(N[C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848536929 681574183 /nfs/dbraw/zinc/57/41/83/681574183.db2.gz YFBNCGXXVLPNSE-MRVPVSSYSA-N 0 3 359.220 2.265 20 10 FECDHN CCc1cccc(C[NH2+]CC[N-]S(=O)(=O)c2ccc(F)cc2F)c1O ZINC000848909068 681640591 /nfs/dbraw/zinc/64/05/91/681640591.db2.gz JTVDHLPUPJWGPB-UHFFFAOYSA-N 0 3 370.421 2.301 20 10 FECDHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000849605802 681763334 /nfs/dbraw/zinc/76/33/34/681763334.db2.gz JXJAJWWGDZHYTB-HZPDHXFCSA-N 0 3 362.861 2.131 20 10 FECDHN COC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1[O-])[C@H]1CCCO1 ZINC000788537419 682537447 /nfs/dbraw/zinc/53/74/47/682537447.db2.gz WJACEEIDKFUZJD-CHWSQXEVSA-N 0 3 360.248 2.447 20 10 FECDHN Cc1cc(Br)cc(CN2CCN(C[C@H](C)O)C[C@H]2C)c1O ZINC000793591835 682898087 /nfs/dbraw/zinc/89/80/87/682898087.db2.gz RJIZVHHNHOCNBZ-OLZOCXBDSA-N 0 3 357.292 2.350 20 10 FECDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCC(F)(F)F ZINC000920867006 683375108 /nfs/dbraw/zinc/37/51/08/683375108.db2.gz LLOMEPNHEWTDAH-STQMWFEESA-N 0 3 359.392 2.241 20 10 FECDHN O[C@@H](CNCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)C(F)(F)F ZINC000883368354 687615289 /nfs/dbraw/zinc/61/52/89/687615289.db2.gz OLQLCXGRWMXDFC-AWEZNQCLSA-N 0 3 368.346 2.296 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)c2cn3ccnc3s2)N(C)C)cc1 ZINC000891247581 689039446 /nfs/dbraw/zinc/03/94/46/689039446.db2.gz IGNMUQWBOCQRHG-OAHLLOKOSA-N 0 3 357.483 2.495 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)N(C)CC(C)(C)CO)N(C)C)cc1 ZINC000899097983 690303448 /nfs/dbraw/zinc/30/34/48/690303448.db2.gz JZCHVJKGCCYRBS-KRWDZBQOSA-N 0 3 350.507 2.015 20 10 FECDHN CCN(CC(C)(C)O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101780 690304487 /nfs/dbraw/zinc/30/44/87/690304487.db2.gz MGBUVKLXPUBRSL-QGZVFWFLSA-N 0 3 350.507 2.158 20 10 FECDHN CC[C@](C)(CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105493 690304791 /nfs/dbraw/zinc/30/47/91/690304791.db2.gz XPPDPKSLFVNHIK-IEBWSBKVSA-N 0 3 350.507 2.206 20 10 FECDHN CN(C)c1ccc([C@H](CN2C(=O)N[C@](C)(CCF)C2=O)N(C)C)cc1 ZINC000900184959 690480989 /nfs/dbraw/zinc/48/09/89/690480989.db2.gz IDAXHKPIPDEGBL-MAUKXSAKSA-N 0 3 350.438 2.025 20 10 FECDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)NCCCOC)CC2)c1 ZINC000092362095 542859706 /nfs/dbraw/zinc/85/97/06/542859706.db2.gz SXBSJVPDZIATKJ-UHFFFAOYSA-N 0 3 350.459 2.156 20 10 FECDHN C[C@H]1CN(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)CCO1 ZINC000092079295 542844943 /nfs/dbraw/zinc/84/49/43/542844943.db2.gz TVNCZZWNQPXTEZ-SFHVURJKSA-N 0 3 359.514 2.208 20 10 FECDHN C[C@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCN1C ZINC000124586470 543830976 /nfs/dbraw/zinc/83/09/76/543830976.db2.gz LOZMJZCDJZSVCA-NSSMGOSVSA-N 0 3 357.498 2.478 20 10 FECDHN C[C@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCN1C ZINC000124585980 543831198 /nfs/dbraw/zinc/83/11/98/543831198.db2.gz LOZMJZCDJZSVCA-JMPQJKKYSA-N 0 3 357.498 2.478 20 10 FECDHN CCC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000165488175 546153800 /nfs/dbraw/zinc/15/38/00/546153800.db2.gz RDMOOHXZWXZWNC-HNNXBMFYSA-N 0 3 359.392 2.286 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)CCc1cccs1)cc2=O ZINC000173759446 546286617 /nfs/dbraw/zinc/28/66/17/546286617.db2.gz ILNKVNAKGIANEI-UHFFFAOYSA-N 0 3 360.439 2.348 20 10 FECDHN Cc1ccc([O-])c(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000185155358 547942625 /nfs/dbraw/zinc/94/26/25/547942625.db2.gz JEEDZGFQUHHSMO-LJQANCHMSA-N 0 3 354.450 2.260 20 10 FECDHN Cc1ccc(O)c(CN[C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000185155358 547942628 /nfs/dbraw/zinc/94/26/28/547942628.db2.gz JEEDZGFQUHHSMO-LJQANCHMSA-N 0 3 354.450 2.260 20 10 FECDHN C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(Br)cc1[O-] ZINC000185365879 547975513 /nfs/dbraw/zinc/97/55/13/547975513.db2.gz AXCGPUFSFVHBEK-QWHCGFSZSA-N 0 3 356.308 2.441 20 10 FECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c([O-])c1 ZINC000186158971 548092210 /nfs/dbraw/zinc/09/22/10/548092210.db2.gz RXMIMLQDRVOZQU-OLZOCXBDSA-N 0 3 355.481 2.248 20 10 FECDHN C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(F)ccc1[O-] ZINC000186159102 548092797 /nfs/dbraw/zinc/09/27/97/548092797.db2.gz DJYXXFSLHDNJKV-ZYHUDNBSSA-N 0 3 359.444 2.078 20 10 FECDHN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1C[C@H](F)CN1 ZINC000188784122 548286966 /nfs/dbraw/zinc/28/69/66/548286966.db2.gz ZLPKIUGNJVPHBW-YWPYICTPSA-N 0 3 357.376 2.073 20 10 FECDHN CCC(C)(C)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000265198054 550007161 /nfs/dbraw/zinc/00/71/61/550007161.db2.gz JMNHXOBKMCNHAI-UHFFFAOYSA-N 0 3 351.466 2.399 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H](C)CCSC)cc2=O ZINC000265515328 550010665 /nfs/dbraw/zinc/01/06/65/550010665.db2.gz QHQGQDDFAMDHNL-LLVKDONJSA-N 0 3 352.460 2.185 20 10 FECDHN COc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1[O-] ZINC000265826178 550014432 /nfs/dbraw/zinc/01/44/32/550014432.db2.gz YXWYUVOGCIYJDT-OALUTQOASA-N 0 3 356.466 2.373 20 10 FECDHN COCCN(C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266849194 550024599 /nfs/dbraw/zinc/02/45/99/550024599.db2.gz QFBMNSVBAXNDFH-UHFFFAOYSA-N 0 3 350.507 2.251 20 10 FECDHN COc1cc(N2CCN(CCCCCCO)CC2)cc(OC)c1OC ZINC000273562417 550503143 /nfs/dbraw/zinc/50/31/43/550503143.db2.gz DOWHKPSAPCWCBZ-UHFFFAOYSA-N 0 3 352.475 2.387 20 10 FECDHN COc1ccc([O-])c(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1 ZINC000277034164 550624421 /nfs/dbraw/zinc/62/44/21/550624421.db2.gz MZIWQCTYZXLOOT-UHFFFAOYSA-N 0 3 356.488 2.083 20 10 FECDHN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C12CCCN1CCC2 ZINC000278855827 550829418 /nfs/dbraw/zinc/82/94/18/550829418.db2.gz LTWFXDCCRWDDME-UHFFFAOYSA-N 0 3 361.461 2.031 20 10 FECDHN CN(C)c1ccc(CNC[C@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000280036646 550954896 /nfs/dbraw/zinc/95/48/96/550954896.db2.gz VAGIVDDIHLRUTE-LLVKDONJSA-N 0 3 350.406 2.296 20 10 FECDHN CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(C)cc1[O-] ZINC000280106502 550961696 /nfs/dbraw/zinc/96/16/96/550961696.db2.gz NLUMAQPHXSJHER-NVXWUHKLSA-N 0 3 370.515 2.230 20 10 FECDHN Cc1cc(Br)cc(C[NH2+]CC2(OCCO)CCOCC2)c1[O-] ZINC000282726654 551264145 /nfs/dbraw/zinc/26/41/45/551264145.db2.gz LYNRMOYNKUXQOV-UHFFFAOYSA-N 0 3 374.275 2.111 20 10 FECDHN CN1CCN(CCC[N@H+](C)Cc2cc(Br)ccc2[O-])CC1 ZINC000289488394 552329589 /nfs/dbraw/zinc/32/95/89/552329589.db2.gz RHWCCZQPOHRKTO-UHFFFAOYSA-N 0 3 356.308 2.224 20 10 FECDHN CN1CCN(CCC[N@@H+](C)Cc2cc(Br)ccc2[O-])CC1 ZINC000289488394 552329591 /nfs/dbraw/zinc/32/95/91/552329591.db2.gz RHWCCZQPOHRKTO-UHFFFAOYSA-N 0 3 356.308 2.224 20 10 FECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289570210 552341942 /nfs/dbraw/zinc/34/19/42/552341942.db2.gz JLXYLMKHJGRLSH-GUYCJALGSA-N 0 3 351.834 2.307 20 10 FECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289570210 552341944 /nfs/dbraw/zinc/34/19/44/552341944.db2.gz JLXYLMKHJGRLSH-GUYCJALGSA-N 0 3 351.834 2.307 20 10 FECDHN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](CN)OC)cc1 ZINC000289882870 552394287 /nfs/dbraw/zinc/39/42/87/552394287.db2.gz HZHQRHIROVKRAO-LJQANCHMSA-N 0 3 357.454 2.268 20 10 FECDHN CC[C@H](CO)N1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000294919650 552944077 /nfs/dbraw/zinc/94/40/77/552944077.db2.gz IJBDEDVEPJSOCY-LJQANCHMSA-N 0 3 361.530 2.190 20 10 FECDHN O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000296548095 553177941 /nfs/dbraw/zinc/17/79/41/553177941.db2.gz SRVNDKITTQBRNX-MOPGFXCFSA-N 0 3 366.461 2.439 20 10 FECDHN C[C@@H](NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000296610309 553187434 /nfs/dbraw/zinc/18/74/34/553187434.db2.gz WGMXZELKTSSJHV-KDOFPFPSSA-N 0 3 370.490 2.016 20 10 FECDHN Cc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c(C)n1-c1ccccn1 ZINC000363735778 555175275 /nfs/dbraw/zinc/17/52/75/555175275.db2.gz WLHJPDRZSWGGDU-SFHVURJKSA-N 0 3 368.481 2.472 20 10 FECDHN CN1CCCc2cc(CNC(=O)[C@]3(N)[C@H]4CCCO[C@H]4C3(C)C)ccc21 ZINC000364200780 555268281 /nfs/dbraw/zinc/26/82/81/555268281.db2.gz LAKWHVGKKVKTBH-YRISNDGFSA-N 0 3 357.498 2.218 20 10 FECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1 ZINC000364795386 555405021 /nfs/dbraw/zinc/40/50/21/555405021.db2.gz YEIDYHXDHZROAC-OAHLLOKOSA-N 0 3 356.470 2.388 20 10 FECDHN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000369026887 556480680 /nfs/dbraw/zinc/48/06/80/556480680.db2.gz JRPIOGGJTGVAJB-RBUKOAKNSA-N 0 3 360.502 2.195 20 10 FECDHN C[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000370376072 556854183 /nfs/dbraw/zinc/85/41/83/556854183.db2.gz ZLVDMRAHNCKMHU-CYBMUJFWSA-N 0 3 356.474 2.114 20 10 FECDHN CCOc1ccc(O)c(CN2CCCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000371314743 557143187 /nfs/dbraw/zinc/14/31/87/557143187.db2.gz OGNYFSKWTOOGBX-UHFFFAOYSA-N 0 3 363.502 2.213 20 10 FECDHN CCOc1cccc(CN2CCC(NC(=O)c3cc(C)on3)CC2)c1O ZINC000371411751 557177369 /nfs/dbraw/zinc/17/73/69/557177369.db2.gz QWBNWMPDIZVYEW-UHFFFAOYSA-N 0 3 359.426 2.482 20 10 FECDHN C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000374805373 557934103 /nfs/dbraw/zinc/93/41/03/557934103.db2.gz IOQBDQACLRZZDY-LNPHQHDRSA-N 0 3 360.454 2.117 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CC[C@H](N(C)Cc3nccc(N)n3)C2)c([O-])c1 ZINC000375978395 558108420 /nfs/dbraw/zinc/10/84/20/558108420.db2.gz YUUPEIKGOCPHMR-INIZCTEOSA-N 0 3 371.485 2.260 20 10 FECDHN CCCOc1ccc(C[N@H+]2CC[C@H](N(C)Cc3nccc(N)n3)C2)c([O-])c1 ZINC000375978395 558108423 /nfs/dbraw/zinc/10/84/23/558108423.db2.gz YUUPEIKGOCPHMR-INIZCTEOSA-N 0 3 371.485 2.260 20 10 FECDHN O=C(Cc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000376727970 558214020 /nfs/dbraw/zinc/21/40/20/558214020.db2.gz HSLKOLVQWZIEHY-MRXNPFEDSA-N 0 3 354.406 2.054 20 10 FECDHN CCN1CCN(c2ccc(CNC(=O)C34CCCN3CCC4)cc2F)CC1 ZINC000377956737 558451525 /nfs/dbraw/zinc/45/15/25/558451525.db2.gz MKWNREBTTOTVCV-UHFFFAOYSA-N 0 3 374.504 2.212 20 10 FECDHN Cc1cncn1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000528858731 562350560 /nfs/dbraw/zinc/35/05/60/562350560.db2.gz BHKGBLDJRAXVEA-INIZCTEOSA-N 0 3 362.861 2.331 20 10 FECDHN COCCc1noc(CC2CCN(Cc3cccc(OC)c3O)CC2)n1 ZINC000529638984 562379660 /nfs/dbraw/zinc/37/96/60/562379660.db2.gz ICXQVFADINWPKT-UHFFFAOYSA-N 0 3 361.442 2.427 20 10 FECDHN COCCc1noc(CC2CC[NH+](Cc3cccc(OC)c3[O-])CC2)n1 ZINC000529638984 562379661 /nfs/dbraw/zinc/37/96/61/562379661.db2.gz ICXQVFADINWPKT-UHFFFAOYSA-N 0 3 361.442 2.427 20 10 FECDHN COc1cc(CN2CCC(NS(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000813150364 674724556 /nfs/dbraw/zinc/72/45/56/674724556.db2.gz CDOVMSFRORVUEM-UHFFFAOYSA-N 0 3 370.515 2.212 20 10 FECDHN C[C@@H](CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)S(C)(=O)=O ZINC000819120170 675262362 /nfs/dbraw/zinc/26/23/62/675262362.db2.gz MZXUDOJKTJSWBE-STQMWFEESA-N 0 3 362.442 2.280 20 10 FECDHN C[C@](O)(CNCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F ZINC000819121193 675262460 /nfs/dbraw/zinc/26/24/60/675262460.db2.gz ITRRLGSKTFCOJE-HNNXBMFYSA-N 0 3 350.356 2.190 20 10 FECDHN [O-]c1cc(Br)ccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000824902339 675627844 /nfs/dbraw/zinc/62/78/44/675627844.db2.gz UHIXNFKHHRMGJP-ZDUSSCGKSA-N 0 3 355.276 2.309 20 10 FECDHN NC(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000830656608 677052570 /nfs/dbraw/zinc/05/25/70/677052570.db2.gz CGVSXCZGUJDNKP-SKDRFNHKSA-N 0 3 367.318 2.263 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCCS(C)(=O)=O)c1[O-] ZINC000848523635 681570993 /nfs/dbraw/zinc/57/09/93/681570993.db2.gz AJSMNAXTRZTYMO-SECBINFHSA-N 0 3 366.277 2.249 20 10 FECDHN CCS(=O)(=O)N(C)C1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840916785 680852873 /nfs/dbraw/zinc/85/28/73/680852873.db2.gz DXWWFJISJAPMFS-UHFFFAOYSA-N 0 3 353.532 2.307 20 10 FECDHN Cc1cc(N(C)C)ccc1CNCCS(=O)(=O)NCc1ccccc1 ZINC000840931940 680854571 /nfs/dbraw/zinc/85/45/71/680854571.db2.gz ACRYAGINDVMJJC-UHFFFAOYSA-N 0 3 361.511 2.270 20 10 FECDHN Cc1cc(N(C)C)ccc1CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000840945385 680855711 /nfs/dbraw/zinc/85/57/11/680855711.db2.gz MBHGNHQSMYNNGT-INIZCTEOSA-N 0 3 365.543 2.355 20 10 FECDHN C[C@H](NC[C@@]1(C)CCC(=O)N1)c1ccc(N2CCOCC2)cc1Cl ZINC000834910794 680281755 /nfs/dbraw/zinc/28/17/55/680281755.db2.gz ZOUIMSCQSMELOA-SCLBCKFNSA-N 0 3 351.878 2.496 20 10 FECDHN CNS(=O)(=O)c1cccc(CNC/C=C\c2ccc(N(C)C)cc2)c1 ZINC000835035963 680289036 /nfs/dbraw/zinc/28/90/36/680289036.db2.gz NAHMZBKBTJPYSF-ALCCZGGFSA-N 0 3 359.495 2.464 20 10 FECDHN Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000842784450 680966091 /nfs/dbraw/zinc/96/60/91/680966091.db2.gz JUJBOLTZAKQILA-MRXNPFEDSA-N 0 3 369.437 2.318 20 10 FECDHN C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)ccc1[O-] ZINC000842885172 680973495 /nfs/dbraw/zinc/97/34/95/680973495.db2.gz WKHWAXLHMRQBPQ-AAEUAGOBSA-N 0 3 351.399 2.417 20 10 FECDHN Cc1ccncc1[C@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000772454676 681098156 /nfs/dbraw/zinc/09/81/56/681098156.db2.gz JDURGIXVYBEEJX-INIZCTEOSA-N 0 3 359.495 2.476 20 10 FECDHN COc1ccc(O)c(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000775644600 681320948 /nfs/dbraw/zinc/32/09/48/681320948.db2.gz QEODNFFDDVEYMW-LBPRGKRZSA-N 0 3 350.440 2.241 20 10 FECDHN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000776810554 681438280 /nfs/dbraw/zinc/43/82/80/681438280.db2.gz ZKNANAMKRCOSCA-OLZOCXBDSA-N 0 3 350.415 2.468 20 10 FECDHN COc1cc(Br)cc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1O ZINC000793590701 682897615 /nfs/dbraw/zinc/89/76/15/682897615.db2.gz ODFSARBCVRTRMR-RYUDHWBXSA-N 0 3 373.291 2.050 20 10 FECDHN [O-]c1cccc(Br)c1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000858194471 682943135 /nfs/dbraw/zinc/94/31/35/682943135.db2.gz GNEAJFOMAKJISY-CYBMUJFWSA-N 0 3 355.276 2.498 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CCN(C)CC(F)F)c1[O-] ZINC000858336561 682958805 /nfs/dbraw/zinc/95/88/05/682958805.db2.gz LZAASFQBEIYQAY-UHFFFAOYSA-N 0 3 353.207 2.450 20 10 FECDHN COc1c([O-])c(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645089 683756463 /nfs/dbraw/zinc/75/64/63/683756463.db2.gz AXANTGZNGTUDNC-WDEREUQCSA-N 0 3 363.336 2.268 20 10 FECDHN COc1ccc(N2CCN(C[C@@H](OC)C3CCOCC3)CC2)cc1F ZINC000876805532 686273251 /nfs/dbraw/zinc/27/32/51/686273251.db2.gz DGEHDFAJPYFMPN-LJQANCHMSA-N 0 3 352.450 2.398 20 10 FECDHN COc1ccc(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1OC ZINC000893210129 689313728 /nfs/dbraw/zinc/31/37/28/689313728.db2.gz XPMFHXHIQAGLTO-LLVKDONJSA-N 0 3 362.348 2.052 20 10 FECDHN C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895666060 689751878 /nfs/dbraw/zinc/75/18/78/689751878.db2.gz JSXDDQODVVSPET-ZDUSSCGKSA-N 0 3 356.898 2.117 20 10 FECDHN CC(C)[C@](C)(O)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100992 690304525 /nfs/dbraw/zinc/30/45/25/690304525.db2.gz GBAVLYFBHTUHPP-IEBWSBKVSA-N 0 3 350.507 2.062 20 10 FECDHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1[O-] ZINC000359957139 210199238 /nfs/dbraw/zinc/19/92/38/210199238.db2.gz GMGUYZGRYRJSSX-SFHVURJKSA-N 0 3 370.877 2.025 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CCN(CCC(C)(C)C)CC2)cc1 ZINC000055934812 540688525 /nfs/dbraw/zinc/68/85/25/540688525.db2.gz UOFGFNCQDUMICY-UHFFFAOYSA-N 0 3 360.546 2.423 20 10 FECDHN C[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000090769393 542788162 /nfs/dbraw/zinc/78/81/62/542788162.db2.gz NYOAEPHVOYTXPL-BBRMVZONSA-N 0 3 368.524 2.300 20 10 FECDHN CN1C(=O)C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@H]1c1ccc(F)cc1 ZINC000120100020 543675659 /nfs/dbraw/zinc/67/56/59/543675659.db2.gz PDGWMAVGDHXZSJ-AUUYWEPGSA-N 0 3 358.369 2.322 20 10 FECDHN CN1C(=O)C[C@@H](NCc2cc3c(cc2O)OCO3)[C@H]1c1ccc(F)cc1 ZINC000120100020 543675661 /nfs/dbraw/zinc/67/56/61/543675661.db2.gz PDGWMAVGDHXZSJ-AUUYWEPGSA-N 0 3 358.369 2.322 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000123813846 543784834 /nfs/dbraw/zinc/78/48/34/543784834.db2.gz YVJGRYHPZGDSJC-SFHVURJKSA-N 0 3 369.513 2.057 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000125585204 543890632 /nfs/dbraw/zinc/89/06/32/543890632.db2.gz OOQBBTNCZHMPCQ-SXLOBPIMSA-N 0 3 359.514 2.456 20 10 FECDHN COc1ccc(-n2c(C)cc(C(=O)NC[C@](C)(O)CN(C)C)c2C)cc1 ZINC000153148582 544738953 /nfs/dbraw/zinc/73/89/53/544738953.db2.gz GJGXDQVVDHHQKW-FQEVSTJZSA-N 0 3 359.470 2.145 20 10 FECDHN CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccccc1[O-] ZINC000156869189 545671549 /nfs/dbraw/zinc/67/15/49/545671549.db2.gz YALGBCXPUSSTNJ-TZMCWYRMSA-N 0 3 355.481 2.329 20 10 FECDHN CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccccc1[O-] ZINC000156869050 545672185 /nfs/dbraw/zinc/67/21/85/545672185.db2.gz YALGBCXPUSSTNJ-OCCSQVGLSA-N 0 3 355.481 2.329 20 10 FECDHN CC(C)N(CCN(C)C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000157859013 545792613 /nfs/dbraw/zinc/79/26/13/545792613.db2.gz OODRPIHBYDWBKL-UHFFFAOYSA-N 0 3 366.481 2.144 20 10 FECDHN CCN(CC)C(=O)C[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165194202 546152558 /nfs/dbraw/zinc/15/25/58/546152558.db2.gz BZUBBZKWOHETMR-HNNXBMFYSA-N 0 3 351.466 2.399 20 10 FECDHN C[C@H]1C[C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CN1C1CC1 ZINC000177071068 546539475 /nfs/dbraw/zinc/53/94/75/546539475.db2.gz XZFZZLIGSSMNID-LXCLZNAOSA-N 0 3 355.482 2.278 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000177952843 546712797 /nfs/dbraw/zinc/71/27/97/546712797.db2.gz FFESYKUHQKGKKW-ZVDOUQERSA-N 0 3 370.541 2.175 20 10 FECDHN C[C@H](NCCC(=O)N1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000178666834 546829436 /nfs/dbraw/zinc/82/94/36/546829436.db2.gz MBAQAKBHHYVVAC-SFHVURJKSA-N 0 3 358.530 2.492 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c([O-])c1 ZINC000179893687 547026182 /nfs/dbraw/zinc/02/61/82/547026182.db2.gz QAPOTGGVCKGZPJ-KRWDZBQOSA-N 0 3 362.470 2.252 20 10 FECDHN CCCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c([O-])c1 ZINC000179893687 547026185 /nfs/dbraw/zinc/02/61/85/547026185.db2.gz QAPOTGGVCKGZPJ-KRWDZBQOSA-N 0 3 362.470 2.252 20 10 FECDHN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(F)ccc1[O-] ZINC000189162880 548298086 /nfs/dbraw/zinc/29/80/86/548298086.db2.gz ANHKDXVGAADGKR-LBPRGKRZSA-N 0 3 353.415 2.148 20 10 FECDHN C=Cn1cc(CNCCCN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000194184214 548446341 /nfs/dbraw/zinc/44/63/41/548446341.db2.gz UPLVDDLHGBBJOV-UHFFFAOYSA-N 0 3 355.486 2.294 20 10 FECDHN COc1ccc(N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)cc1F ZINC000237266892 548813367 /nfs/dbraw/zinc/81/33/67/548813367.db2.gz AWYXJSORXLPVCU-SFHVURJKSA-N 0 3 357.429 2.053 20 10 FECDHN NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)Cc3ccc(N)cc3)cc2)C1 ZINC000262630451 549833621 /nfs/dbraw/zinc/83/36/21/549833621.db2.gz DSLRKZWDLHGKSJ-QGZVFWFLSA-N 0 3 366.465 2.147 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](N3CCCCC3)C2)cc1 ZINC000264572344 549998318 /nfs/dbraw/zinc/99/83/18/549998318.db2.gz HVAOLXKYTBCTRC-FQEVSTJZSA-N 0 3 358.530 2.271 20 10 FECDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cc(OC)c(OC)cc1O)CC2 ZINC000271883668 550408195 /nfs/dbraw/zinc/40/81/95/550408195.db2.gz VTAAPFIJANGXFA-QZTJIDSGSA-N 0 3 351.443 2.161 20 10 FECDHN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(OC)c(OC)cc1[O-])CC2 ZINC000271883668 550408198 /nfs/dbraw/zinc/40/81/98/550408198.db2.gz VTAAPFIJANGXFA-QZTJIDSGSA-N 0 3 351.443 2.161 20 10 FECDHN Cc1ccc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c([O-])c1O ZINC000272783058 550470748 /nfs/dbraw/zinc/47/07/48/550470748.db2.gz VMCPQJOBWFVOTI-AWEZNQCLSA-N 0 3 356.426 2.194 20 10 FECDHN COc1ccc(N2CCN(CCN[C@H](C)c3nccnc3C)CC2)cc1 ZINC000275903064 550575107 /nfs/dbraw/zinc/57/51/07/550575107.db2.gz SMZCJBFZDCORJP-QGZVFWFLSA-N 0 3 355.486 2.266 20 10 FECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000282927091 551286191 /nfs/dbraw/zinc/28/61/91/551286191.db2.gz FPGOHXKLACRESW-MRXNPFEDSA-N 0 3 356.422 2.170 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c([O-])c1 ZINC000289947845 552404164 /nfs/dbraw/zinc/40/41/64/552404164.db2.gz YPAUSVZNYCPWLC-AUUYWEPGSA-N 0 3 361.442 2.134 20 10 FECDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c([O-])c1 ZINC000289947845 552404165 /nfs/dbraw/zinc/40/41/65/552404165.db2.gz YPAUSVZNYCPWLC-AUUYWEPGSA-N 0 3 361.442 2.134 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)c1[O-] ZINC000367175184 556002977 /nfs/dbraw/zinc/00/29/77/556002977.db2.gz ZIHBMDGKEUIILX-OLZOCXBDSA-N 0 3 369.259 2.406 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)c1[O-] ZINC000367175186 556003139 /nfs/dbraw/zinc/00/31/39/556003139.db2.gz ZIHBMDGKEUIILX-STQMWFEESA-N 0 3 369.259 2.406 20 10 FECDHN COc1ccc(O)c([C@H](C)N2CCC[C@H]2C(=O)NCC2CCOCC2)c1 ZINC000368052289 556204484 /nfs/dbraw/zinc/20/44/84/556204484.db2.gz VCGVSSDOEYVKOF-KSSFIOAISA-N 0 3 362.470 2.469 20 10 FECDHN C[C@H](N[C@@H]1CCN(c2ccn(C)n2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000368318985 556276650 /nfs/dbraw/zinc/27/66/50/556276650.db2.gz OXFYLZYOCIIBIS-SUMWQHHRSA-N 0 3 354.454 2.461 20 10 FECDHN O=C(Nc1ccccn1)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000368776760 556410608 /nfs/dbraw/zinc/41/06/08/556410608.db2.gz DSYVUXNCYKTBAY-CYBMUJFWSA-N 0 3 355.394 2.367 20 10 FECDHN O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000368776760 556410610 /nfs/dbraw/zinc/41/06/10/556410610.db2.gz DSYVUXNCYKTBAY-CYBMUJFWSA-N 0 3 355.394 2.367 20 10 FECDHN O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000368776760 556410612 /nfs/dbraw/zinc/41/06/12/556410612.db2.gz DSYVUXNCYKTBAY-CYBMUJFWSA-N 0 3 355.394 2.367 20 10 FECDHN COc1ccc(O)c(CNC(=O)c2cnn(CCN3CCCCC3)c2)c1 ZINC000369770304 556689695 /nfs/dbraw/zinc/68/96/95/556689695.db2.gz OUKSRXKZTDFNCX-UHFFFAOYSA-N 0 3 358.442 2.013 20 10 FECDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000371554477 557220271 /nfs/dbraw/zinc/22/02/71/557220271.db2.gz QFLVPZFAXZXFEI-JQVKTCLLSA-N 0 3 355.482 2.089 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2cncnc2)c1 ZINC000377714664 558403602 /nfs/dbraw/zinc/40/36/02/558403602.db2.gz BTLFJFMIPIQZCM-BPUTZDHNSA-N 0 3 360.433 2.454 20 10 FECDHN COc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1-c1nnn[n-]1 ZINC000821818718 599420363 /nfs/dbraw/zinc/42/03/63/599420363.db2.gz ZOMHPKOEHVTABP-UHFFFAOYSA-N 0 3 356.405 2.370 20 10 FECDHN CCCCN(CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051281105 670294640 /nfs/dbraw/zinc/29/46/40/670294640.db2.gz WETUHRMBHWJOIC-UHFFFAOYSA-N 0 3 351.466 2.401 20 10 FECDHN Cc1cc(Cl)cc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1[O-] ZINC000839166299 680742427 /nfs/dbraw/zinc/74/24/27/680742427.db2.gz YKJIKEBREBPZFY-UHFFFAOYSA-N 0 3 354.878 2.325 20 10 FECDHN C[C@@H](NCCNC(=O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764584584 680815812 /nfs/dbraw/zinc/81/58/12/680815812.db2.gz PWORJPFHXPLNEZ-CYBMUJFWSA-N 0 3 351.878 2.353 20 10 FECDHN COC(=O)[C@@]1(C)CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840976433 680858320 /nfs/dbraw/zinc/85/83/20/680858320.db2.gz WFOJTQYAPQQDLK-IBGZPJMESA-N 0 3 350.434 2.437 20 10 FECDHN C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)C2CCOCC2)c2c1c(F)ccc2[O-] ZINC000834891165 680280732 /nfs/dbraw/zinc/28/07/32/680280732.db2.gz QTTGJNUAJKNSBQ-BXUZGUMPSA-N 0 3 357.447 2.263 20 10 FECDHN CCS(=O)(=O)N1CCC([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1 ZINC000756399400 680476280 /nfs/dbraw/zinc/47/62/80/680476280.db2.gz NZKHXAGUMIACSM-FZMZJTMJSA-N 0 3 356.463 2.483 20 10 FECDHN CCC[C@@H](O)[C@H](CO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000842225083 680933709 /nfs/dbraw/zinc/93/37/09/680933709.db2.gz HDMGRGYGAWYTIJ-MAUKXSAKSA-N 0 3 351.447 2.197 20 10 FECDHN CN(C1CCN(Cc2cc3c(cc2O)CCCC3)CC1)S(C)(=O)=O ZINC000768444686 680947195 /nfs/dbraw/zinc/94/71/95/680947195.db2.gz NOYGCFCMDPPKCE-UHFFFAOYSA-N 0 3 352.500 2.127 20 10 FECDHN COc1cccc([C@H](C)NCCS(=O)(=O)NCc2ccccc2)c1O ZINC000846146614 681189180 /nfs/dbraw/zinc/18/91/80/681189180.db2.gz SSNLOLIYKKPVCB-AWEZNQCLSA-N 0 3 364.467 2.171 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCCNC2=O)c1[O-] ZINC000848518459 681570645 /nfs/dbraw/zinc/57/06/45/681570645.db2.gz LSWBBBGZPQRWHU-JOYOIKCWSA-N 0 3 357.248 2.483 20 10 FECDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c1[O-] ZINC000848926073 681643305 /nfs/dbraw/zinc/64/33/05/681643305.db2.gz KTHRJRQEINIFHD-LBPRGKRZSA-N 0 3 351.248 2.239 20 10 FECDHN O=C(NCc1cc(Cl)ccc1O)NC1CCN([C@H]2CCOC2)CC1 ZINC000852638875 682312275 /nfs/dbraw/zinc/31/22/75/682312275.db2.gz PUGQPNVVZJATMH-HNNXBMFYSA-N 0 3 353.850 2.098 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]CC[C@H]2CNC(=O)C2)c1[O-] ZINC000926975908 683192485 /nfs/dbraw/zinc/19/24/85/683192485.db2.gz BHFFHSOUICCZDV-VHSXEESVSA-N 0 3 357.248 2.340 20 10 FECDHN CN1CCC(NC(=S)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000920307190 683331902 /nfs/dbraw/zinc/33/19/02/683331902.db2.gz CHTDYPQTSWZALO-QGZVFWFLSA-N 0 3 363.527 2.342 20 10 FECDHN CN(C)c1ccc(CNCCNS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000799345688 683447159 /nfs/dbraw/zinc/44/71/59/683447159.db2.gz LQOOANNNBBHJEU-UHFFFAOYSA-N 0 3 369.437 2.099 20 10 FECDHN CN(C)c1ccc(C[NH2+]CC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000799345688 683447162 /nfs/dbraw/zinc/44/71/62/683447162.db2.gz LQOOANNNBBHJEU-UHFFFAOYSA-N 0 3 369.437 2.099 20 10 FECDHN Cc1ccc(O)c(C[NH2+]CC[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000799346163 683447311 /nfs/dbraw/zinc/44/73/11/683447311.db2.gz YFJWVIFDNRYBRZ-UHFFFAOYSA-N 0 3 356.394 2.047 20 10 FECDHN O=C(NCCCSc1nccs1)NC[C@H]1CCN1C1CCOCC1 ZINC000921447337 683471471 /nfs/dbraw/zinc/47/14/71/683471471.db2.gz FYFZBXJRWHTBCY-CQSZACIVSA-N 0 3 370.544 2.178 20 10 FECDHN CN(C)Cc1csc(CNCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000922490478 683733871 /nfs/dbraw/zinc/73/38/71/683733871.db2.gz PLYPBOQRDMWKLP-UHFFFAOYSA-N 0 3 359.543 2.246 20 10 FECDHN COc1c([O-])c(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645087 683756693 /nfs/dbraw/zinc/75/66/93/683756693.db2.gz AXANTGZNGTUDNC-MNOVXSKESA-N 0 3 363.336 2.268 20 10 FECDHN C[C@@H]([NH2+]CC(=O)N1CCN(Cc2cccs2)CC1)c1ccccc1[O-] ZINC000879648798 686879923 /nfs/dbraw/zinc/87/99/23/686879923.db2.gz DYZPLKXANLTCNU-OAHLLOKOSA-N 0 3 359.495 2.449 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)C2(Br)CC2)N(C)C)cc1 ZINC000891250263 689039880 /nfs/dbraw/zinc/03/98/80/689039880.db2.gz WAHIKWYZMJGLHX-CQSZACIVSA-N 0 3 354.292 2.399 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)c2csc3cncn32)N(C)C)cc1 ZINC000891251867 689040124 /nfs/dbraw/zinc/04/01/24/689040124.db2.gz HTIFXBGCLDCQHX-HNNXBMFYSA-N 0 3 357.483 2.495 20 10 FECDHN C[C@@H](CCCO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098605 690303354 /nfs/dbraw/zinc/30/33/54/690303354.db2.gz PTKXTMVHYMBUOB-YJBOKZPZSA-N 0 3 350.507 2.063 20 10 FECDHN CC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)O ZINC000899103894 690305189 /nfs/dbraw/zinc/30/51/89/690305189.db2.gz OUXHBBAFDGTCCG-IAGOWNOFSA-N 0 3 350.507 2.204 20 10 FECDHN COc1cc(Cl)cc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1[O-] ZINC000359957135 210199310 /nfs/dbraw/zinc/19/93/10/210199310.db2.gz GMGUYZGRYRJSSX-GOSISDBHSA-N 0 3 370.877 2.025 20 10 FECDHN CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(Br)cc3[O-])[C@H]2C1 ZINC000826011838 675677879 /nfs/dbraw/zinc/67/78/79/675677879.db2.gz JJNCNOQDZDEVJF-GOEBONIOSA-N 0 3 355.276 2.450 20 10 FECDHN CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(Br)cc3[O-])[C@H]2C1 ZINC000826011838 675677881 /nfs/dbraw/zinc/67/78/81/675677881.db2.gz JJNCNOQDZDEVJF-GOEBONIOSA-N 0 3 355.276 2.450 20 10 FECDHN CC(C)OCCN1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000083063852 542691417 /nfs/dbraw/zinc/69/14/17/542691417.db2.gz FUCHBDGWHARJRJ-UHFFFAOYSA-N 0 3 362.518 2.441 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC000085857240 542733291 /nfs/dbraw/zinc/73/32/91/542733291.db2.gz LLOAGWAXABKMCE-DLBZAZTESA-N 0 3 350.434 2.155 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC000085857240 542733295 /nfs/dbraw/zinc/73/32/95/542733295.db2.gz LLOAGWAXABKMCE-DLBZAZTESA-N 0 3 350.434 2.155 20 10 FECDHN CCOc1cccc(CN2CCC(NC(=O)C3CCOCC3)CC2)c1O ZINC000120081375 543675627 /nfs/dbraw/zinc/67/56/27/543675627.db2.gz KDLOLOZTBXUDMQ-UHFFFAOYSA-N 0 3 362.470 2.298 20 10 FECDHN CN(C)CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000133782848 544283200 /nfs/dbraw/zinc/28/32/00/544283200.db2.gz OSTHLHAEQABQGO-CYBMUJFWSA-N 0 3 356.417 2.118 20 10 FECDHN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000175786180 546349868 /nfs/dbraw/zinc/34/98/68/546349868.db2.gz TUCQLPJYENZXTP-QGZVFWFLSA-N 0 3 362.518 2.197 20 10 FECDHN COCCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183519311 547674317 /nfs/dbraw/zinc/67/43/17/547674317.db2.gz UCTKQRKQYXKBEV-AWEZNQCLSA-N 0 3 364.467 2.168 20 10 FECDHN COc1cc(N2CCN(CCCn3ccnc3)CC2)cc(OC)c1OC ZINC000183700972 547704829 /nfs/dbraw/zinc/70/48/29/547704829.db2.gz IYSSJSBUGGUXMX-UHFFFAOYSA-N 0 3 360.458 2.121 20 10 FECDHN CCOc1ccc(O)c(CNCc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000185075851 547928527 /nfs/dbraw/zinc/92/85/27/547928527.db2.gz KJHWUJXQRDIHLN-UHFFFAOYSA-N 0 3 361.417 2.451 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000185140747 547938973 /nfs/dbraw/zinc/93/89/73/547938973.db2.gz NXSWYDBMHGXERM-RDTXWAMCSA-N 0 3 352.500 2.259 20 10 FECDHN C[C@@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1cc(F)ccc1[O-] ZINC000185339904 547973572 /nfs/dbraw/zinc/97/35/72/547973572.db2.gz DUCLOWDPKZKGBH-CYBMUJFWSA-N 0 3 372.444 2.479 20 10 FECDHN C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000185881977 548050982 /nfs/dbraw/zinc/05/09/82/548050982.db2.gz TYKULPGLELKGHL-CYBMUJFWSA-N 0 3 356.308 2.270 20 10 FECDHN COc1cc(O)c(CN[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000191807171 548351173 /nfs/dbraw/zinc/35/11/73/548351173.db2.gz VJJGAWBAXYNMJK-MRXNPFEDSA-N 0 3 374.412 2.439 20 10 FECDHN CN(C)c1noc([C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000194931832 548552856 /nfs/dbraw/zinc/55/28/56/548552856.db2.gz CBXIOZUWXJJHQL-KRWDZBQOSA-N 0 3 371.485 2.352 20 10 FECDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000237221154 548809899 /nfs/dbraw/zinc/80/98/99/548809899.db2.gz GFZXUZCSQNKVNP-FQEVSTJZSA-N 0 3 353.466 2.052 20 10 FECDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](N)Cc1ccccc1 ZINC000237222381 548810574 /nfs/dbraw/zinc/81/05/74/548810574.db2.gz GFZXUZCSQNKVNP-HXUWFJFHSA-N 0 3 353.466 2.052 20 10 FECDHN CSCC[C@H](N)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237327698 548818345 /nfs/dbraw/zinc/81/83/45/548818345.db2.gz TZSDRMWPNFNORZ-DOMZBBRYSA-N 0 3 373.469 2.453 20 10 FECDHN O=C(NCc1ccc(CN2CCC(O)CC2)cc1)NCc1ccccc1O ZINC000264271747 549993860 /nfs/dbraw/zinc/99/38/60/549993860.db2.gz HRZRBAGANLJSIR-UHFFFAOYSA-N 0 3 369.465 2.348 20 10 FECDHN COc1ccc(N2CCN(CCN[C@@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000268845607 550122683 /nfs/dbraw/zinc/12/26/83/550122683.db2.gz RQTCKMOBXAOVNG-INIZCTEOSA-N 0 3 357.502 2.210 20 10 FECDHN CCOc1cccc(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)c1[O-] ZINC000271136146 550343745 /nfs/dbraw/zinc/34/37/45/550343745.db2.gz MRKPFHVBQNZHHX-GDBMZVCRSA-N 0 3 350.459 2.154 20 10 FECDHN CCOc1cccc(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)c1[O-] ZINC000271136146 550343747 /nfs/dbraw/zinc/34/37/47/550343747.db2.gz MRKPFHVBQNZHHX-GDBMZVCRSA-N 0 3 350.459 2.154 20 10 FECDHN Cc1ccc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c([O-])c1O ZINC000272783059 550470717 /nfs/dbraw/zinc/47/07/17/550470717.db2.gz VMCPQJOBWFVOTI-CQSZACIVSA-N 0 3 356.426 2.194 20 10 FECDHN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273585284 550504299 /nfs/dbraw/zinc/50/42/99/550504299.db2.gz NSOZJSHHMIXVSJ-HZPDHXFCSA-N 0 3 363.502 2.103 20 10 FECDHN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1CCCCN1C1CC1 ZINC000277394779 550665099 /nfs/dbraw/zinc/66/50/99/550665099.db2.gz JKWNNRWJRPWZGG-HXUWFJFHSA-N 0 3 372.513 2.339 20 10 FECDHN CCCOc1ccc(C[N@@H+]2C[C@H](CO)C[C@H](OCCOC)C2)c([O-])c1 ZINC000278748033 550817561 /nfs/dbraw/zinc/81/75/61/550817561.db2.gz RTKHSRJYAMFCKF-QAPCUYQASA-N 0 3 353.459 2.027 20 10 FECDHN CCCOc1ccc(C[N@H+]2C[C@H](CO)C[C@H](OCCOC)C2)c([O-])c1 ZINC000278748033 550817563 /nfs/dbraw/zinc/81/75/63/550817563.db2.gz RTKHSRJYAMFCKF-QAPCUYQASA-N 0 3 353.459 2.027 20 10 FECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000282361219 551217035 /nfs/dbraw/zinc/21/70/35/551217035.db2.gz DIRPBTJTHZEIRU-INIZCTEOSA-N 0 3 361.486 2.074 20 10 FECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000282361219 551217036 /nfs/dbraw/zinc/21/70/36/551217036.db2.gz DIRPBTJTHZEIRU-INIZCTEOSA-N 0 3 361.486 2.074 20 10 FECDHN C[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000284546005 551574638 /nfs/dbraw/zinc/57/46/38/551574638.db2.gz XSQIGDRBRZSNFX-QOKNQOGYSA-N 0 3 368.493 2.471 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000285710004 551799320 /nfs/dbraw/zinc/79/93/20/551799320.db2.gz PMALQIPJMRPYPZ-WZYMTQMTSA-N 0 3 361.486 2.135 20 10 FECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1[O-] ZINC000289369396 552308976 /nfs/dbraw/zinc/30/89/76/552308976.db2.gz LGUBVKHOJSTGLY-CYBMUJFWSA-N 0 3 360.907 2.457 20 10 FECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1[O-] ZINC000289369396 552308977 /nfs/dbraw/zinc/30/89/77/552308977.db2.gz LGUBVKHOJSTGLY-CYBMUJFWSA-N 0 3 360.907 2.457 20 10 FECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291761321 552659258 /nfs/dbraw/zinc/65/92/58/552659258.db2.gz VOVCHKXIDQRAKN-CDHAZOANSA-N 0 3 355.390 2.449 20 10 FECDHN CCCNC(=O)C[C@H](C(N)=O)N(CCC)Cc1ccc(N(C)C)c(C)c1 ZINC000294363111 552900495 /nfs/dbraw/zinc/90/04/95/552900495.db2.gz ASZYPJDDQJTKPP-GOSISDBHSA-N 0 3 362.518 2.043 20 10 FECDHN CCOc1ccc(O)c(CN(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000295058404 552954937 /nfs/dbraw/zinc/95/49/37/552954937.db2.gz GJAONYVOFBLPRM-AWEZNQCLSA-N 0 3 354.447 2.108 20 10 FECDHN CCOc1cccc(CN(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000295128738 552961657 /nfs/dbraw/zinc/96/16/57/552961657.db2.gz OEWCIZOFNCKVFL-CQSZACIVSA-N 0 3 354.447 2.108 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000295963471 553082235 /nfs/dbraw/zinc/08/22/35/553082235.db2.gz JRXAJZRTTIGZMW-RLLQIKCJSA-N 0 3 357.498 2.306 20 10 FECDHN COc1ccc(N2CCC(N(C)C[C@H](C)CS(C)(=O)=O)CC2)cc1 ZINC000361334448 554917071 /nfs/dbraw/zinc/91/70/71/554917071.db2.gz FWHKBDQMWXRBSO-HNNXBMFYSA-N 0 3 354.516 2.277 20 10 FECDHN COc1ccc(N2CCCN(C[C@H](O)COCC(F)(F)F)CC2)cc1 ZINC000366414308 555836861 /nfs/dbraw/zinc/83/68/61/555836861.db2.gz JJHFFOPLXWXBLU-HNNXBMFYSA-N 0 3 362.392 2.147 20 10 FECDHN Cc1nccc(CN2CCC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3[O-])C2=O)n1 ZINC000369892877 556723318 /nfs/dbraw/zinc/72/33/18/556723318.db2.gz MYLOEXBQXRTGSS-SJCJKPOMSA-N 0 3 358.417 2.472 20 10 FECDHN COc1cc(O)c(CN2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)cc1OC ZINC000374786067 557931090 /nfs/dbraw/zinc/93/10/90/557931090.db2.gz YBYXJMGSUCXXHK-CYBMUJFWSA-N 0 3 374.441 2.471 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)c([O-])c1 ZINC000375200682 557991162 /nfs/dbraw/zinc/99/11/62/557991162.db2.gz IOWHBFWRDZTRKP-AWEZNQCLSA-N 0 3 360.414 2.006 20 10 FECDHN CCCOc1ccc(C[N@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)c([O-])c1 ZINC000375200682 557991163 /nfs/dbraw/zinc/99/11/63/557991163.db2.gz IOWHBFWRDZTRKP-AWEZNQCLSA-N 0 3 360.414 2.006 20 10 FECDHN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](C)N(C)C)C1 ZINC000443945324 560096797 /nfs/dbraw/zinc/09/67/97/560096797.db2.gz HAHQQVVLAWXEBY-MRXNPFEDSA-N 0 3 356.514 2.474 20 10 FECDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000472280589 561022836 /nfs/dbraw/zinc/02/28/36/561022836.db2.gz AAFAXCVNMGFKAS-KRWDZBQOSA-N 0 3 372.513 2.379 20 10 FECDHN C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c2c1c(F)ccc2[O-] ZINC000527955334 562309481 /nfs/dbraw/zinc/30/94/81/562309481.db2.gz NPAPXKCTMJYPBR-AFBRZQFHSA-N 0 3 364.461 2.285 20 10 FECDHN Cc1cncn1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000528858733 562350554 /nfs/dbraw/zinc/35/05/54/562350554.db2.gz BHKGBLDJRAXVEA-MRXNPFEDSA-N 0 3 362.861 2.331 20 10 FECDHN O=C(CCc1ncc[nH]1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000807108521 674405304 /nfs/dbraw/zinc/40/53/04/674405304.db2.gz XNOYDRMIBGURCY-OAHLLOKOSA-N 0 3 362.861 2.482 20 10 FECDHN CS(=O)(=O)N(CC(F)(F)F)C1CCN(Cc2ccccc2O)CC1 ZINC000179575097 672403427 /nfs/dbraw/zinc/40/34/27/672403427.db2.gz FRZWKGFPIPBJHZ-UHFFFAOYSA-N 0 3 366.405 2.181 20 10 FECDHN CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179575097 672403428 /nfs/dbraw/zinc/40/34/28/672403428.db2.gz FRZWKGFPIPBJHZ-UHFFFAOYSA-N 0 3 366.405 2.181 20 10 FECDHN CCNS(=O)(=O)CCNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000823789635 675571898 /nfs/dbraw/zinc/57/18/98/675571898.db2.gz NIXBXYSOZYFYTI-UHFFFAOYSA-N 0 3 367.540 2.413 20 10 FECDHN CCOC(=O)[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)CC12COC2 ZINC000824489716 675606100 /nfs/dbraw/zinc/60/61/00/675606100.db2.gz PWQIXJJJFOKMAA-CYBMUJFWSA-N 0 3 355.818 2.066 20 10 FECDHN CCN(C)C(=O)[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000824677187 675616262 /nfs/dbraw/zinc/61/62/62/675616262.db2.gz AXVOZIYDLUOIHS-SFHVURJKSA-N 0 3 351.466 2.255 20 10 FECDHN C[NH+](C)CCNC(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775665390 681322411 /nfs/dbraw/zinc/32/24/11/681322411.db2.gz PIOWVAKHLGTKQL-UHFFFAOYSA-N 0 3 357.857 2.075 20 10 FECDHN CCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c([O-])c1 ZINC000776957318 681450875 /nfs/dbraw/zinc/45/08/75/681450875.db2.gz CBDQIKNCIUVJHF-UHFFFAOYSA-N 0 3 370.515 2.331 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1[O-] ZINC000848578858 681581932 /nfs/dbraw/zinc/58/19/32/681581932.db2.gz TYUCCGBMMQOASU-LBPRGKRZSA-N 0 3 371.231 2.236 20 10 FECDHN CCc1cccc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O ZINC000848901939 681640192 /nfs/dbraw/zinc/64/01/92/681640192.db2.gz GQPWHBAAGLDTKA-UHFFFAOYSA-N 0 3 364.423 2.426 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)c1[O-] ZINC000850344068 681888233 /nfs/dbraw/zinc/88/82/33/681888233.db2.gz ATDQFIYQZAUEQD-YGRLFVJLSA-N 0 3 360.248 2.304 20 10 FECDHN COc1cc(Br)cc(CN2CCN(CCO)C(C)(C)C2)c1O ZINC000783713831 682168666 /nfs/dbraw/zinc/16/86/66/682168666.db2.gz LECAXMCUWBTRDJ-UHFFFAOYSA-N 0 3 373.291 2.052 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCSC(C)(C)CC1)cc2=O ZINC000789343494 682595003 /nfs/dbraw/zinc/59/50/03/682595003.db2.gz YSLOGWPXQKCIKR-UHFFFAOYSA-N 0 3 364.471 2.329 20 10 FECDHN CN(C)c1cc(F)c(CNCC2(O)CCC3(CC2)OCCO3)cc1F ZINC000922620458 683756476 /nfs/dbraw/zinc/75/64/76/683756476.db2.gz RZWXXFWQBRXPEJ-UHFFFAOYSA-N 0 3 356.413 2.169 20 10 FECDHN CN(Cc1ccccc1)C[C@H](N)C(=O)NCCCSc1nccs1 ZINC000876662156 686239080 /nfs/dbraw/zinc/23/90/80/686239080.db2.gz MBXRHQJBVTXWAM-HNNXBMFYSA-N 0 3 364.540 2.201 20 10 FECDHN COc1ccc(N2CCN(CCCNCc3snnc3C)CC2)cc1 ZINC000876901008 686290954 /nfs/dbraw/zinc/29/09/54/686290954.db2.gz WLQIYAJNLMFJCY-UHFFFAOYSA-N 0 3 361.515 2.157 20 10 FECDHN COc1ccc(CNCc2ccc3c(c2)CCS3(=O)=O)c(O)c1OC ZINC000893140947 689302801 /nfs/dbraw/zinc/30/28/01/689302801.db2.gz ZYQGTXOONXXFLX-UHFFFAOYSA-N 0 3 363.435 2.029 20 10 FECDHN COC(=O)c1c(CNCCSCCCO)c2cc(F)ccc2n1C ZINC000894234965 689491288 /nfs/dbraw/zinc/49/12/88/689491288.db2.gz MRFJGIWWXWQRPY-UHFFFAOYSA-N 0 3 354.447 2.309 20 10 FECDHN COC(=O)c1c(CN[C@@H](C)[C@@H](CO)SC)c2cc(F)ccc2n1C ZINC000894279815 689499571 /nfs/dbraw/zinc/49/95/71/689499571.db2.gz AJVRPEKXTWROQY-ZUZCIYMTSA-N 0 3 354.447 2.306 20 10 FECDHN COC(=O)c1c(CNCC2([S@](C)=O)CC2)c2cc(F)ccc2n1C ZINC000894662595 689575152 /nfs/dbraw/zinc/57/51/52/689575152.db2.gz MVIFVFDIWRGZKB-DEOSSOPVSA-N 0 3 352.431 2.105 20 10 FECDHN COCC[C@@H](C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895339333 689698965 /nfs/dbraw/zinc/69/89/65/689698965.db2.gz LWJZEAILKUXFCP-QAPCUYQASA-N 0 3 350.507 2.327 20 10 FECDHN CC[C@@H](O)CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101868 690304475 /nfs/dbraw/zinc/30/44/75/690304475.db2.gz MUYBNLVULUABLI-MSOLQXFVSA-N 0 3 350.507 2.206 20 10 FECDHN Cc1ccc(C)n1-c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000061211610 541127466 /nfs/dbraw/zinc/12/74/66/541127466.db2.gz JTUZFTXHUSNPPZ-UHFFFAOYSA-N 0 3 354.498 2.461 20 10 FECDHN C[C@@H](NCCOCCS(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000090102490 542782785 /nfs/dbraw/zinc/78/27/85/542782785.db2.gz CQYZRRNXJJXZMS-MRXNPFEDSA-N 0 3 354.516 2.389 20 10 FECDHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092011063 542837353 /nfs/dbraw/zinc/83/73/53/542837353.db2.gz XJGKEKJYLPDZAY-ICSRJNTNSA-N 0 3 370.497 2.202 20 10 FECDHN CCN1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000111475925 543403231 /nfs/dbraw/zinc/40/32/31/543403231.db2.gz IXXBESFFGZXICA-LJQANCHMSA-N 0 3 360.502 2.197 20 10 FECDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000160967039 546089315 /nfs/dbraw/zinc/08/93/15/546089315.db2.gz LOYIYRYIIBKYBA-OAHLLOKOSA-N 0 3 368.481 2.209 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC(N3CCO[C@H](C)C3)CC2)c1O ZINC000177280082 546586571 /nfs/dbraw/zinc/58/65/71/546586571.db2.gz UFXSZJNQHYQUBB-CYBMUJFWSA-N 0 3 350.434 2.419 20 10 FECDHN Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1[O-] ZINC000184977397 547910235 /nfs/dbraw/zinc/91/02/35/547910235.db2.gz REIUDVCCONQGPV-IBGZPJMESA-N 0 3 354.450 2.260 20 10 FECDHN Cc1cccc(CN[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1O ZINC000184977397 547910238 /nfs/dbraw/zinc/91/02/38/547910238.db2.gz REIUDVCCONQGPV-IBGZPJMESA-N 0 3 354.450 2.260 20 10 FECDHN CCCOc1ccc(C[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)c([O-])c1 ZINC000263696978 549921567 /nfs/dbraw/zinc/92/15/67/549921567.db2.gz QHLBGCIECLCXIQ-UHFFFAOYSA-N 0 3 374.437 2.344 20 10 FECDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CN(Cc3ccccc3)CC[C@@H]1CO)OCO2 ZINC000265811993 550014526 /nfs/dbraw/zinc/01/45/26/550014526.db2.gz VWNXAKGTERWYIT-SJLPKXTDSA-N 0 3 370.449 2.094 20 10 FECDHN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000265849405 550014825 /nfs/dbraw/zinc/01/48/25/550014825.db2.gz HXGBSUNIMAXKGV-CVEARBPZSA-N 0 3 370.490 2.108 20 10 FECDHN CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000269865621 550231944 /nfs/dbraw/zinc/23/19/44/550231944.db2.gz KMLRCCCPMDBBMI-HNNXBMFYSA-N 0 3 360.479 2.430 20 10 FECDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1[O-] ZINC000272456178 550450047 /nfs/dbraw/zinc/45/00/47/550450047.db2.gz XEXJLSQPEMCPBK-GDBMZVCRSA-N 0 3 359.875 2.180 20 10 FECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000273456531 550499116 /nfs/dbraw/zinc/49/91/16/550499116.db2.gz HCENDUCCQMLMSZ-SOVGHPHASA-N 0 3 362.470 2.207 20 10 FECDHN CCCOc1ccc(C[NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)c([O-])c1 ZINC000275589307 550573055 /nfs/dbraw/zinc/57/30/55/550573055.db2.gz PQLCHKXSWLSMLN-MRXNPFEDSA-N 0 3 372.469 2.033 20 10 FECDHN CCOc1ccc(O)c(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000282701787 551261444 /nfs/dbraw/zinc/26/14/44/551261444.db2.gz JXUVTBSOVQISTK-UHFFFAOYSA-N 0 3 368.499 2.181 20 10 FECDHN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000283992215 551463636 /nfs/dbraw/zinc/46/36/36/551463636.db2.gz JPHDHOSODPNFSS-VQIMIIECSA-N 0 3 374.529 2.090 20 10 FECDHN COc1cc(Cl)cc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1[O-] ZINC000289238569 552286911 /nfs/dbraw/zinc/28/69/11/552286911.db2.gz DNZZNRFJZUQMSL-ZDUSSCGKSA-N 0 3 368.783 2.407 20 10 FECDHN COc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(F)ccc3[O-])C2=O)c(OC)c1 ZINC000289919285 552399314 /nfs/dbraw/zinc/39/93/14/552399314.db2.gz VQOLWDQOJGSMCP-QGZVFWFLSA-N 0 3 374.412 2.439 20 10 FECDHN [O-]c1ccccc1C[N@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1CCCO1 ZINC000293013108 552780543 /nfs/dbraw/zinc/78/05/43/552780543.db2.gz UPMXMQBXOURLDM-GJZGRUSLSA-N 0 3 363.376 2.313 20 10 FECDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1CCCO1 ZINC000293013108 552780544 /nfs/dbraw/zinc/78/05/44/552780544.db2.gz UPMXMQBXOURLDM-GJZGRUSLSA-N 0 3 363.376 2.313 20 10 FECDHN Cc1cc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)ccc1N(C)C ZINC000294013086 552875214 /nfs/dbraw/zinc/87/52/14/552875214.db2.gz GVZGPFJAPXNFLV-UHFFFAOYSA-N 0 3 365.543 2.451 20 10 FECDHN CN(C)CCn1nccc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296700627 553199964 /nfs/dbraw/zinc/19/99/64/553199964.db2.gz ABYLHRGSMHDAOL-UHFFFAOYSA-N 0 3 356.474 2.367 20 10 FECDHN CN1CCC[C@@]2(CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000297316210 553277549 /nfs/dbraw/zinc/27/75/49/553277549.db2.gz IPNJXDSLLCUDFY-OAQYLSRUSA-N 0 3 372.513 2.151 20 10 FECDHN COc1ccc(N2CCC(N(C)C(=O)C[C@@H]3CSCCN3)CC2)cc1 ZINC000366511458 555863604 /nfs/dbraw/zinc/86/36/04/555863604.db2.gz HYPBJQUYLMNLMP-OAHLLOKOSA-N 0 3 363.527 2.218 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)c1[O-] ZINC000367175185 556003144 /nfs/dbraw/zinc/00/31/44/556003144.db2.gz ZIHBMDGKEUIILX-QWHCGFSZSA-N 0 3 369.259 2.406 20 10 FECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000369050583 556489238 /nfs/dbraw/zinc/48/92/38/556489238.db2.gz IVVISHZWPMGLJX-MOPGFXCFSA-N 0 3 360.502 2.147 20 10 FECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000369050585 556489296 /nfs/dbraw/zinc/48/92/96/556489296.db2.gz IVVISHZWPMGLJX-RBUKOAKNSA-N 0 3 360.502 2.147 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1[O-] ZINC000371300941 557137230 /nfs/dbraw/zinc/13/72/30/557137230.db2.gz RLMJMMRYYLGHBM-CGTJXYLNSA-N 0 3 350.434 2.417 20 10 FECDHN Cc1cc(O)c(CN[C@H]2CCCN(Cc3ccnc(C)n3)C2=O)cc1C ZINC000371946919 557335809 /nfs/dbraw/zinc/33/58/09/557335809.db2.gz JNKNEVBXTWDEJF-SFHVURJKSA-N 0 3 354.454 2.388 20 10 FECDHN Cc1cc([O-])c(C[NH2+][C@H]2CCCN(Cc3ccnc(C)n3)C2=O)cc1C ZINC000371946919 557335810 /nfs/dbraw/zinc/33/58/10/557335810.db2.gz JNKNEVBXTWDEJF-SFHVURJKSA-N 0 3 354.454 2.388 20 10 FECDHN CCCOc1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c([O-])c1 ZINC000372006733 557354142 /nfs/dbraw/zinc/35/41/42/557354142.db2.gz NNOHSLXXYOXXKK-FQEVSTJZSA-N 0 3 364.486 2.152 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)c1 ZINC000372301240 557434168 /nfs/dbraw/zinc/43/41/68/557434168.db2.gz MAWHEXBYVPFKGN-ZDUSSCGKSA-N 0 3 358.442 2.090 20 10 FECDHN COc1ccc(O)c([C@H](C)N2CCC(NC(=O)c3cnn(C)c3)CC2)c1 ZINC000372301240 557434170 /nfs/dbraw/zinc/43/41/70/557434170.db2.gz MAWHEXBYVPFKGN-ZDUSSCGKSA-N 0 3 358.442 2.090 20 10 FECDHN CCOC(=O)c1nnc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)[n-]1 ZINC000373208710 557650249 /nfs/dbraw/zinc/65/02/49/557650249.db2.gz IDCQIQAVQGQORU-UHFFFAOYSA-N 0 3 357.458 2.427 20 10 FECDHN C[C@H]([NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1)c1ccccc1[O-] ZINC000378626189 558596707 /nfs/dbraw/zinc/59/67/07/558596707.db2.gz RRZFVQOVEQVOHZ-LSDHHAIUSA-N 0 3 352.442 2.397 20 10 FECDHN CN(C)c1ccc(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000808766308 674471579 /nfs/dbraw/zinc/47/15/79/674471579.db2.gz PTSLRCDONJELND-INIZCTEOSA-N 0 3 351.516 2.046 20 10 FECDHN COc1cc(C[NH2+]Cc2ccccc2[O-])cc(Cl)c1OCC(N)=O ZINC000325973037 673051477 /nfs/dbraw/zinc/05/14/77/673051477.db2.gz WGBYMOFCRYXBMZ-UHFFFAOYSA-N 0 3 350.802 2.208 20 10 FECDHN CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(OCC)cc2[O-])CC1 ZINC000731449215 673330787 /nfs/dbraw/zinc/33/07/87/673330787.db2.gz NPWOCQDAGWYVKV-UHFFFAOYSA-N 0 3 356.488 2.085 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@H]2CCCN(CCCO)C2)c1[O-] ZINC000824584023 675612156 /nfs/dbraw/zinc/61/21/56/675612156.db2.gz VEZFSAVQFYKZQE-AWEZNQCLSA-N 0 3 373.291 2.100 20 10 FECDHN C[N@H+](CCCO)C1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824814236 675623239 /nfs/dbraw/zinc/62/32/39/675623239.db2.gz NMKYGWINTPWJDD-UHFFFAOYSA-N 0 3 357.292 2.433 20 10 FECDHN C[N@@H+](CCCO)C1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824814236 675623240 /nfs/dbraw/zinc/62/32/40/675623240.db2.gz NMKYGWINTPWJDD-UHFFFAOYSA-N 0 3 357.292 2.433 20 10 FECDHN CCOc1ccc(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c([O-])c1 ZINC000839176607 680742983 /nfs/dbraw/zinc/74/29/83/680742983.db2.gz LRMALFXMJLBTFD-QGZVFWFLSA-N 0 3 351.443 2.296 20 10 FECDHN COC[C@@](C)(CCO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000749923284 680087088 /nfs/dbraw/zinc/08/70/88/680087088.db2.gz TXWMDCLHXUUMMF-GOSISDBHSA-N 0 3 351.447 2.462 20 10 FECDHN C[C@@H](NC[C@@]1(C)CCC(=O)N1)c1ccc(N2CCOCC2)cc1Cl ZINC000834910793 680281711 /nfs/dbraw/zinc/28/17/11/680281711.db2.gz ZOUIMSCQSMELOA-FZKQIMNGSA-N 0 3 351.878 2.496 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1[O-] ZINC000842759512 680964600 /nfs/dbraw/zinc/96/46/00/680964600.db2.gz XIGZQIQYBZKPEA-INIZCTEOSA-N 0 3 374.275 2.431 20 10 FECDHN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H](N)CC(F)F)cc1 ZINC000843488253 681006592 /nfs/dbraw/zinc/00/65/92/681006592.db2.gz VIALWRMKYWHAMQ-JKSUJKDBSA-N 0 3 355.429 2.243 20 10 FECDHN CCCN(CCC)c1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000846037432 681176209 /nfs/dbraw/zinc/17/62/09/681176209.db2.gz OUTRVXJTUNZBNE-QGZVFWFLSA-N 0 3 353.532 2.437 20 10 FECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])[C@@H]1OC ZINC000775978419 681354292 /nfs/dbraw/zinc/35/42/92/681354292.db2.gz LJIIEADLGKFJES-LNSITVRQSA-N 0 3 360.248 2.445 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCNC(=O)C2CC2)c1[O-] ZINC000848513927 681569212 /nfs/dbraw/zinc/56/92/12/681569212.db2.gz IWQZWFPYRFEOLA-SECBINFHSA-N 0 3 357.248 2.340 20 10 FECDHN COCCN(C)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000848524334 681571434 /nfs/dbraw/zinc/57/14/34/681571434.db2.gz DLKXVGJARMTUOL-LLVKDONJSA-N 0 3 361.280 2.392 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c1[O-] ZINC000848528726 681571901 /nfs/dbraw/zinc/57/19/01/681571901.db2.gz NSTRKAOBKKRUFR-ONGXEEELSA-N 0 3 357.248 2.435 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCN(C)C2=O)c1[O-] ZINC000848531259 681572767 /nfs/dbraw/zinc/57/27/67/681572767.db2.gz MWSRFCOYSYBMBV-SKDRFNHKSA-N 0 3 357.248 2.435 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCC(O)CC2)c1[O-] ZINC000848553538 681577003 /nfs/dbraw/zinc/57/70/03/681577003.db2.gz UWDHVBOWHRGGFY-NSHDSACASA-N 0 3 373.291 2.271 20 10 FECDHN O=[S@@](CCNCc1ccc(N2CCOCC2)c(F)c1)CC(F)(F)F ZINC000850348998 681888907 /nfs/dbraw/zinc/88/89/07/681888907.db2.gz XJAJDYKJUFCEMP-DEOSSOPVSA-N 0 3 368.396 2.063 20 10 FECDHN COCCN1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000784547113 682236700 /nfs/dbraw/zinc/23/67/00/682236700.db2.gz ZUUDRENVEOEFLU-QZTJIDSGSA-N 0 3 367.921 2.320 20 10 FECDHN COCCN1CC[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000784547120 682236808 /nfs/dbraw/zinc/23/68/08/682236808.db2.gz ZUUDRENVEOEFLU-ZWKOTPCHSA-N 0 3 367.921 2.320 20 10 FECDHN Cc1cc(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793595504 682897830 /nfs/dbraw/zinc/89/78/30/682897830.db2.gz YAZCDYALNUSLDZ-HNNXBMFYSA-N 0 3 354.516 2.464 20 10 FECDHN [O-]c1cccc(Br)c1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000862250995 683559266 /nfs/dbraw/zinc/55/92/66/683559266.db2.gz XUPRSAZVVPBEFO-CYBMUJFWSA-N 0 3 355.276 2.309 20 10 FECDHN CNS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000862550682 683600371 /nfs/dbraw/zinc/60/03/71/683600371.db2.gz GTCOFBPNEUHEOA-GOSISDBHSA-N 0 3 365.543 2.438 20 10 FECDHN CN(C)S(=O)(=O)Cc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000922452199 683725249 /nfs/dbraw/zinc/72/52/49/683725249.db2.gz NAPCDKDIVHNKTB-UHFFFAOYSA-N 0 3 360.479 2.303 20 10 FECDHN CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000922589065 683749550 /nfs/dbraw/zinc/74/95/50/683749550.db2.gz GPPWBLSIZAOWBW-AWEZNQCLSA-N 0 3 373.291 2.364 20 10 FECDHN O=C1CC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCN1 ZINC000873049331 685059284 /nfs/dbraw/zinc/05/92/84/685059284.db2.gz GBQQRFVQNFLEGX-HOTGVXAUSA-N 0 3 351.878 2.268 20 10 FECDHN CO[C@@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(F)(F)F ZINC000891245397 689039659 /nfs/dbraw/zinc/03/96/59/689039659.db2.gz DGSAWONNORTCFK-GJZGRUSLSA-N 0 3 361.408 2.439 20 10 FECDHN COc1ccc(C[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000894185512 689482719 /nfs/dbraw/zinc/48/27/19/689482719.db2.gz PMSWSKCHCVXHLD-CQSZACIVSA-N 0 3 352.431 2.126 20 10 FECDHN O=C(Nc1nccs1)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000057088926 540767994 /nfs/dbraw/zinc/76/79/94/540767994.db2.gz AZIGIWOURYZGBY-NSHDSACASA-N 0 3 361.423 2.428 20 10 FECDHN C[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090183683 542783919 /nfs/dbraw/zinc/78/39/19/542783919.db2.gz VFHZSVFMHUISQC-AWEZNQCLSA-N 0 3 370.490 2.138 20 10 FECDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@H](O)CN1CCOCC1 ZINC000093583341 542934649 /nfs/dbraw/zinc/93/46/49/542934649.db2.gz PZDOBAUZRJCJOB-FQEVSTJZSA-N 0 3 356.466 2.184 20 10 FECDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C[C@H](O)CN1CCOCC1 ZINC000093583341 542934654 /nfs/dbraw/zinc/93/46/54/542934654.db2.gz PZDOBAUZRJCJOB-FQEVSTJZSA-N 0 3 356.466 2.184 20 10 FECDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000104855486 543147562 /nfs/dbraw/zinc/14/75/62/543147562.db2.gz MDCXTDRENOMADX-IBGZPJMESA-N 0 3 363.477 2.277 20 10 FECDHN CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1[O-] ZINC000156868901 545671826 /nfs/dbraw/zinc/67/18/26/545671826.db2.gz YALGBCXPUSSTNJ-GXTWGEPZSA-N 0 3 355.481 2.329 20 10 FECDHN CN(CCNCc1ccc2c(c1)CCO2)S(=O)(=O)c1cccs1 ZINC000158308639 545846071 /nfs/dbraw/zinc/84/60/71/545846071.db2.gz NKVCZJDPMJJVPX-UHFFFAOYSA-N 0 3 352.481 2.093 20 10 FECDHN COc1cc(O)c(CN2CCC[C@@H](CNC(=O)C(C)C)C2)cc1OC ZINC000160100780 546007805 /nfs/dbraw/zinc/00/78/05/546007805.db2.gz HMPMRWFCMOQNPF-AWEZNQCLSA-N 0 3 350.459 2.394 20 10 FECDHN C[C@@H](CC(=O)N(C)C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163404770 546145000 /nfs/dbraw/zinc/14/50/00/546145000.db2.gz XCFINORQTYNWII-ZDUSSCGKSA-N 0 3 373.419 2.498 20 10 FECDHN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1OCCN(C)C ZINC000183467047 547665846 /nfs/dbraw/zinc/66/58/46/547665846.db2.gz NGTJZDHPOYLFGI-AWEZNQCLSA-N 0 3 358.438 2.399 20 10 FECDHN C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185392941 547978658 /nfs/dbraw/zinc/97/86/58/547978658.db2.gz QRHBJMPUBUHHAS-CHWSQXEVSA-N 0 3 356.308 2.441 20 10 FECDHN COc1ccc(O)c([C@H](C)NCCN(C)S(=O)(=O)c2cccs2)c1 ZINC000186141234 548090551 /nfs/dbraw/zinc/09/05/51/548090551.db2.gz OOUAZVYJXAUVIH-LBPRGKRZSA-N 0 3 370.496 2.434 20 10 FECDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000267944201 550035866 /nfs/dbraw/zinc/03/58/66/550035866.db2.gz ANAVHUZUPLTVOQ-QFBILLFUSA-N 0 3 360.502 2.005 20 10 FECDHN COc1ccc(N2CCN(CCN[C@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000268845608 550122970 /nfs/dbraw/zinc/12/29/70/550122970.db2.gz RQTCKMOBXAOVNG-MRXNPFEDSA-N 0 3 357.502 2.210 20 10 FECDHN COc1cc([N+](=O)[O-])c(N2CCC(CN3CCOCC3)CC2)cc1OC ZINC000270998816 550330344 /nfs/dbraw/zinc/33/03/44/550330344.db2.gz FXFZZRIFSCQGCK-UHFFFAOYSA-N 0 3 365.430 2.161 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)c([O-])c1 ZINC000271181684 550349785 /nfs/dbraw/zinc/34/97/85/550349785.db2.gz HTUUYHCBRUGCDZ-ZDUSSCGKSA-N 0 3 358.442 2.383 20 10 FECDHN CCCOc1ccc(C[N@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)c([O-])c1 ZINC000271181684 550349787 /nfs/dbraw/zinc/34/97/87/550349787.db2.gz HTUUYHCBRUGCDZ-ZDUSSCGKSA-N 0 3 358.442 2.383 20 10 FECDHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000272282508 550434151 /nfs/dbraw/zinc/43/41/51/550434151.db2.gz BVIPNULNLYHMSI-QUCCMNQESA-N 0 3 372.513 2.149 20 10 FECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000273456528 550499170 /nfs/dbraw/zinc/49/91/70/550499170.db2.gz HCENDUCCQMLMSZ-IXDGSTSKSA-N 0 3 362.470 2.207 20 10 FECDHN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCN1C1CC1 ZINC000279008764 550846097 /nfs/dbraw/zinc/84/60/97/550846097.db2.gz LJUVWSROCRTEFQ-FQEVSTJZSA-N 0 3 357.498 2.138 20 10 FECDHN O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)N1 ZINC000279402849 550885985 /nfs/dbraw/zinc/88/59/85/550885985.db2.gz LEDRAZPXNAFORD-FQEVSTJZSA-N 0 3 351.406 2.233 20 10 FECDHN O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)N1 ZINC000279402849 550885986 /nfs/dbraw/zinc/88/59/86/550885986.db2.gz LEDRAZPXNAFORD-FQEVSTJZSA-N 0 3 351.406 2.233 20 10 FECDHN COc1cccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1[O-] ZINC000279876659 550938583 /nfs/dbraw/zinc/93/85/83/550938583.db2.gz JVLORYPYMJBVPM-RDJZCZTQSA-N 0 3 362.449 2.179 20 10 FECDHN COc1cccc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1[O-] ZINC000279876659 550938584 /nfs/dbraw/zinc/93/85/84/550938584.db2.gz JVLORYPYMJBVPM-RDJZCZTQSA-N 0 3 362.449 2.179 20 10 FECDHN COc1cccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1O ZINC000279876659 550938585 /nfs/dbraw/zinc/93/85/85/550938585.db2.gz JVLORYPYMJBVPM-RDJZCZTQSA-N 0 3 362.449 2.179 20 10 FECDHN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](N)C1CCOCC1 ZINC000282223277 551197701 /nfs/dbraw/zinc/19/77/01/551197701.db2.gz AXRQPCHDUSHLIY-OAHLLOKOSA-N 0 3 371.275 2.257 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H]1CCC[C@@H]1SCC)cc2=O ZINC000285591610 551779842 /nfs/dbraw/zinc/77/98/42/551779842.db2.gz BLTOONKXAJASHX-KGLIPLIRSA-N 0 3 364.471 2.375 20 10 FECDHN CCCOc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c([O-])c1 ZINC000285592968 551780175 /nfs/dbraw/zinc/78/01/75/551780175.db2.gz WBSIFVYZQIEWPJ-OAHLLOKOSA-N 0 3 368.499 2.227 20 10 FECDHN CNC(=O)CC[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286356807 551878245 /nfs/dbraw/zinc/87/82/45/551878245.db2.gz HFWPVDRNKRUJLD-IBGZPJMESA-N 0 3 374.529 2.092 20 10 FECDHN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291761324 552659041 /nfs/dbraw/zinc/65/90/41/552659041.db2.gz VOVCHKXIDQRAKN-MRAWALMUSA-N 0 3 355.390 2.449 20 10 FECDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000296595917 553184816 /nfs/dbraw/zinc/18/48/16/553184816.db2.gz QWVWZEDRTPBZHR-HNNXBMFYSA-N 0 3 352.431 2.126 20 10 FECDHN C[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(N2CCOCC2)cc1 ZINC000363836978 555196537 /nfs/dbraw/zinc/19/65/37/555196537.db2.gz ZEXUOLHBOQLXTD-OXJNMPFZSA-N 0 3 370.497 2.440 20 10 FECDHN COC(=O)c1cn([C@@H]2CCN(Cc3cc(Cl)cc(C)c3O)C2)nn1 ZINC000363910284 555211710 /nfs/dbraw/zinc/21/17/10/555211710.db2.gz UYINFAILUHSLNQ-CYBMUJFWSA-N 0 3 350.806 2.179 20 10 FECDHN Cc1nc(CN(C)[C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)CC2)no1 ZINC000364675692 555371159 /nfs/dbraw/zinc/37/11/59/555371159.db2.gz TXVDAJUIMLNOAJ-HNNXBMFYSA-N 0 3 374.441 2.299 20 10 FECDHN Cc1nc(CN(C)[C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)CC2)no1 ZINC000364675692 555371160 /nfs/dbraw/zinc/37/11/60/555371160.db2.gz TXVDAJUIMLNOAJ-HNNXBMFYSA-N 0 3 374.441 2.299 20 10 FECDHN COc1cc(O)c(CN2CCC(OC[C@H]3CCOC3)CC2)cc1OC ZINC000368268707 556264331 /nfs/dbraw/zinc/26/43/31/556264331.db2.gz ZWBPWWGAOZLOFI-AWEZNQCLSA-N 0 3 351.443 2.427 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000370010637 556756833 /nfs/dbraw/zinc/75/68/33/556756833.db2.gz PMJDILIRMFNOGK-GOSISDBHSA-N 0 3 369.513 2.009 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC000370355187 556849267 /nfs/dbraw/zinc/84/92/67/556849267.db2.gz LLOAGWAXABKMCE-IRXDYDNUSA-N 0 3 350.434 2.155 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c1[O-] ZINC000370355187 556849271 /nfs/dbraw/zinc/84/92/71/556849271.db2.gz LLOAGWAXABKMCE-IRXDYDNUSA-N 0 3 350.434 2.155 20 10 FECDHN Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2cc(F)ccc2[O-])CC(=O)N1C ZINC000370407497 556864087 /nfs/dbraw/zinc/86/40/87/556864087.db2.gz QJBKFZPGFYHJBT-IFXJQAMLSA-N 0 3 360.433 2.191 20 10 FECDHN O=C1CCCC(=O)N1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000372379645 557454913 /nfs/dbraw/zinc/45/49/13/557454913.db2.gz HKCKWNYVYRALQG-UHFFFAOYSA-N 0 3 371.481 2.027 20 10 FECDHN O=C(CN1CCCC12CCC2)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000373095375 557627666 /nfs/dbraw/zinc/62/76/66/557627666.db2.gz QKLZUURFUGHZKX-UHFFFAOYSA-N 0 3 361.461 2.297 20 10 FECDHN O=C1[C@H](NCc2ccc(N3CCOCC3)cc2)CCN1Cc1ccccc1 ZINC000374022391 557809596 /nfs/dbraw/zinc/80/95/96/557809596.db2.gz QQCPMTBMECLHCR-OAQYLSRUSA-N 0 3 365.477 2.414 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](C3CCOCC3)C2)cc1 ZINC000374340541 557868452 /nfs/dbraw/zinc/86/84/52/557868452.db2.gz KQIBRACQAHYSFF-IBGZPJMESA-N 0 3 359.514 2.460 20 10 FECDHN CCN(CC)c1ccc(CN2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc1F ZINC000375534144 558044514 /nfs/dbraw/zinc/04/45/14/558044514.db2.gz SFIALKSIDSOCJC-SJORKVTESA-N 0 3 373.476 2.106 20 10 FECDHN COc1cccc(CN2CCCC[C@@H]2COC(=O)N2CCOCC2)c1O ZINC000377691202 558398380 /nfs/dbraw/zinc/39/83/80/558398380.db2.gz FCFVCFQREJLQET-MRXNPFEDSA-N 0 3 364.442 2.224 20 10 FECDHN COc1cc(O)c(CN[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC ZINC000378450627 558560527 /nfs/dbraw/zinc/56/05/27/558560527.db2.gz IRPSIYXKHNWZLE-INIZCTEOSA-N 0 3 356.422 2.300 20 10 FECDHN CN1CCN(C(=O)CC2CC[NH+](Cc3c([O-])cccc3Cl)CC2)CC1 ZINC000120001530 671914475 /nfs/dbraw/zinc/91/44/75/671914475.db2.gz BORSXQKYLVQBCM-UHFFFAOYSA-N 0 3 365.905 2.422 20 10 FECDHN NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3cc([O-])cs3)c2)CC1 ZINC000731871582 673345854 /nfs/dbraw/zinc/34/58/54/673345854.db2.gz JEOLVNJXRZSBQZ-UHFFFAOYSA-N 0 3 359.451 2.403 20 10 FECDHN COc1ccc(CNCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000733330564 673409984 /nfs/dbraw/zinc/40/99/84/673409984.db2.gz BTIMCUWZMCZVBT-UHFFFAOYSA-N 0 3 360.479 2.220 20 10 FECDHN CC(C)OCCOC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000840145492 680802294 /nfs/dbraw/zinc/80/22/94/680802294.db2.gz XTNHMNBMIYRYHR-GOSISDBHSA-N 0 3 351.443 2.224 20 10 FECDHN O=S1(=O)CCCN1C1CCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000840173116 680804271 /nfs/dbraw/zinc/80/42/71/680804271.db2.gz WXKAFEWCSKAPGZ-UHFFFAOYSA-N 0 3 364.511 2.271 20 10 FECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c1[O-] ZINC000840898654 680851156 /nfs/dbraw/zinc/85/11/56/680851156.db2.gz ZQKSEIIABIQPPB-LLVKDONJSA-N 0 3 351.838 2.175 20 10 FECDHN CC[C@@H](NCCS(=O)(=O)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000834892577 680280882 /nfs/dbraw/zinc/28/08/82/680280882.db2.gz WNRYVLFXJUYSSJ-GOSISDBHSA-N 0 3 354.516 2.387 20 10 FECDHN CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000759172824 680633062 /nfs/dbraw/zinc/63/30/62/680633062.db2.gz IYEMJBCPWNYEFM-GXTWGEPZSA-N 0 3 360.248 2.447 20 10 FECDHN CN(C)c1ccc([C@@H]([NH3+])C[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000842785253 680966297 /nfs/dbraw/zinc/96/62/97/680966297.db2.gz GBLVDBSMWRFJHW-HNNXBMFYSA-N 0 3 355.410 2.009 20 10 FECDHN Oc1ccc(Br)cc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000769327000 680978257 /nfs/dbraw/zinc/97/82/57/680978257.db2.gz JMXYCFXCKNXKGG-GDBMZVCRSA-N 0 3 355.276 2.186 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c1[O-] ZINC000848552110 681576231 /nfs/dbraw/zinc/57/62/31/681576231.db2.gz HETPSYVIAKGIFQ-VFZGTOFNSA-N 0 3 357.248 2.483 20 10 FECDHN CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850566190 681917392 /nfs/dbraw/zinc/91/73/92/681917392.db2.gz LMHNLAAUHSDGFB-MOPGFXCFSA-N 0 3 366.527 2.093 20 10 FECDHN COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000783506263 682147901 /nfs/dbraw/zinc/14/79/01/682147901.db2.gz TUTYVMVAJWCFID-AWEZNQCLSA-N 0 3 364.467 2.168 20 10 FECDHN COc1ccc(N2CCN(C(=O)c3cc4c(s3)CCNC4)CC2)cc1 ZINC000852771070 682341183 /nfs/dbraw/zinc/34/11/83/682341183.db2.gz ALYMAJGIELYQKU-UHFFFAOYSA-N 0 3 357.479 2.365 20 10 FECDHN COc1cc(Br)cc(C[N@H+](C)[C@H](C)CN2CCOCC2)c1[O-] ZINC000789764515 682629596 /nfs/dbraw/zinc/62/95/96/682629596.db2.gz YJJGHCVYPCQDKQ-GFCCVEGCSA-N 0 3 373.291 2.316 20 10 FECDHN COc1cc(Br)cc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1[O-] ZINC000789764515 682629598 /nfs/dbraw/zinc/62/95/98/682629598.db2.gz YJJGHCVYPCQDKQ-GFCCVEGCSA-N 0 3 373.291 2.316 20 10 FECDHN C[C@H](C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)NC(=O)OC(C)(C)C ZINC000863333009 683707010 /nfs/dbraw/zinc/70/70/10/683707010.db2.gz NEUXBPYBGGSOMI-ABAIWWIYSA-N 0 3 352.431 2.163 20 10 FECDHN C[C@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O)NC(=O)OC(C)(C)C ZINC000863333009 683707012 /nfs/dbraw/zinc/70/70/12/683707012.db2.gz NEUXBPYBGGSOMI-ABAIWWIYSA-N 0 3 352.431 2.163 20 10 FECDHN CC(C)(O)CN1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000877521318 686400175 /nfs/dbraw/zinc/40/01/75/686400175.db2.gz VVFBVZHANJIHRE-UHFFFAOYSA-N 0 3 357.292 2.480 20 10 FECDHN CN1CC[NH+](C2CCN(Cc3cccc(Br)c3[O-])CC2)CC1 ZINC000877747677 686448569 /nfs/dbraw/zinc/44/85/69/686448569.db2.gz XHXICISTEONZOV-UHFFFAOYSA-N 0 3 368.319 2.367 20 10 FECDHN CN(C)c1ccc(CN[C@H]2C[C@H](S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000883379768 687619071 /nfs/dbraw/zinc/61/90/71/687619071.db2.gz NSVOWYGTZWMAHD-AULYBMBSSA-N 0 3 350.406 2.437 20 10 FECDHN COC(=O)c1c(CNC[C@@](C)(O)CSC)c2cc(F)ccc2n1C ZINC000894287143 689501215 /nfs/dbraw/zinc/50/12/15/689501215.db2.gz AZSLHGYZTBGAFZ-QGZVFWFLSA-N 0 3 354.447 2.308 20 10 FECDHN COC(=O)c1c(CNCC2([S@@](C)=O)CC2)c2cc(F)ccc2n1C ZINC000894662596 689574983 /nfs/dbraw/zinc/57/49/83/689574983.db2.gz MVIFVFDIWRGZKB-XMMPIXPASA-N 0 3 352.431 2.105 20 10 FECDHN CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)O ZINC000899103896 690304879 /nfs/dbraw/zinc/30/48/79/690304879.db2.gz OUXHBBAFDGTCCG-SJORKVTESA-N 0 3 350.507 2.204 20 10 FECDHN CN(C)Cc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000049153536 540382471 /nfs/dbraw/zinc/38/24/71/540382471.db2.gz FHJWIRNREGGLKT-UHFFFAOYSA-N 0 3 354.454 2.069 20 10 FECDHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000090412166 542784353 /nfs/dbraw/zinc/78/43/53/542784353.db2.gz CMRPHCQMAJYGTA-GDBMZVCRSA-N 0 3 364.465 2.117 20 10 FECDHN CCN1CCN(C(=O)CC2CC[NH+](Cc3cc(C)ccc3[O-])CC2)CC1 ZINC000093141927 542912217 /nfs/dbraw/zinc/91/22/17/542912217.db2.gz HWKCXIOIOBWWCR-UHFFFAOYSA-N 0 3 359.514 2.467 20 10 FECDHN COc1cc(O)c(CN2CCC[C@H](CNC(=O)C(C)C)C2)cc1OC ZINC000160100901 546007678 /nfs/dbraw/zinc/00/76/78/546007678.db2.gz HMPMRWFCMOQNPF-CQSZACIVSA-N 0 3 350.459 2.394 20 10 FECDHN COc1ccc(N2CCN(CCCN[C@@H](C)c3cnn(C)c3)CC2)cc1 ZINC000162812244 546141484 /nfs/dbraw/zinc/14/14/84/546141484.db2.gz RDJAYBVFFUHPPW-KRWDZBQOSA-N 0 3 357.502 2.292 20 10 FECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000184677033 547863343 /nfs/dbraw/zinc/86/33/43/547863343.db2.gz OWZSAIHFQKKIQW-ZDUSSCGKSA-N 0 3 368.861 2.125 20 10 FECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1[O-] ZINC000184677033 547863346 /nfs/dbraw/zinc/86/33/46/547863346.db2.gz OWZSAIHFQKKIQW-ZDUSSCGKSA-N 0 3 368.861 2.125 20 10 FECDHN O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@H]1COc2ccccc2C1 ZINC000237834042 548857420 /nfs/dbraw/zinc/85/74/20/548857420.db2.gz DRRMUHTVZZGPIE-QGZVFWFLSA-N 0 3 369.440 2.103 20 10 FECDHN O=C(COc1ccccc1C[NH2+]Cc1ccccc1[O-])NC[C@@H]1CCCO1 ZINC000263687139 549919835 /nfs/dbraw/zinc/91/98/35/549919835.db2.gz NVTOSIADNUAFGD-SFHVURJKSA-N 0 3 370.449 2.356 20 10 FECDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1cc(OC)c(OC)cc1O)CC2 ZINC000271883666 550408335 /nfs/dbraw/zinc/40/83/35/550408335.db2.gz VTAAPFIJANGXFA-MSOLQXFVSA-N 0 3 351.443 2.161 20 10 FECDHN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(OC)c(OC)cc1[O-])CC2 ZINC000271883666 550408337 /nfs/dbraw/zinc/40/83/37/550408337.db2.gz VTAAPFIJANGXFA-MSOLQXFVSA-N 0 3 351.443 2.161 20 10 FECDHN O=C(NCc1ccccc1O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277087409 550630749 /nfs/dbraw/zinc/63/07/49/550630749.db2.gz UYMGAESISAXGIJ-IBGZPJMESA-N 0 3 369.465 2.483 20 10 FECDHN C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cc2c(cc1[O-])CCCC2 ZINC000280888259 551042736 /nfs/dbraw/zinc/04/27/36/551042736.db2.gz DWQCJJVGXAKXFW-KGLIPLIRSA-N 0 3 368.481 2.480 20 10 FECDHN CCN(CC)c1ccc(CN2CCC(CNS(C)(=O)=O)CC2)cc1 ZINC000289374769 552310133 /nfs/dbraw/zinc/31/01/33/552310133.db2.gz LVIDUIOVWNGKJZ-UHFFFAOYSA-N 0 3 353.532 2.294 20 10 FECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289570203 552342050 /nfs/dbraw/zinc/34/20/50/552342050.db2.gz JLXYLMKHJGRLSH-CXAGYDPISA-N 0 3 351.834 2.307 20 10 FECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289570203 552342052 /nfs/dbraw/zinc/34/20/52/552342052.db2.gz JLXYLMKHJGRLSH-CXAGYDPISA-N 0 3 351.834 2.307 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c([O-])c1 ZINC000289947848 552404013 /nfs/dbraw/zinc/40/40/13/552404013.db2.gz YPAUSVZNYCPWLC-IFXJQAMLSA-N 0 3 361.442 2.134 20 10 FECDHN CCCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c([O-])c1 ZINC000289947848 552404016 /nfs/dbraw/zinc/40/40/16/552404016.db2.gz YPAUSVZNYCPWLC-IFXJQAMLSA-N 0 3 361.442 2.134 20 10 FECDHN Cn1cc([C@H]2C[N@H+](Cc3cc4c(cc3[O-])OCO4)CC23CCOCC3)cn1 ZINC000295044067 552953677 /nfs/dbraw/zinc/95/36/77/552953677.db2.gz OZGPZMFFJNYING-MRXNPFEDSA-N 0 3 371.437 2.251 20 10 FECDHN Cn1cc([C@H]2C[N@@H+](Cc3cc4c(cc3[O-])OCO4)CC23CCOCC3)cn1 ZINC000295044067 552953678 /nfs/dbraw/zinc/95/36/78/552953678.db2.gz OZGPZMFFJNYING-MRXNPFEDSA-N 0 3 371.437 2.251 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000295963468 553082196 /nfs/dbraw/zinc/08/21/96/553082196.db2.gz JRXAJZRTTIGZMW-DFQSSKMNSA-N 0 3 357.498 2.306 20 10 FECDHN CNC(=O)C[C@@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000298711456 553462301 /nfs/dbraw/zinc/46/23/01/553462301.db2.gz ULOUQYLJMBVCOS-GFCCVEGCSA-N 0 3 359.392 2.156 20 10 FECDHN NC(=O)c1cnccc1NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000302156844 553707746 /nfs/dbraw/zinc/70/77/46/553707746.db2.gz NWMVAIANKGAYCS-UHFFFAOYSA-N 0 3 365.481 2.325 20 10 FECDHN C[N@H+]1CCC[C@H](N2CCN(Cc3cc(Br)ccc3[O-])CC2)C1 ZINC000362376260 554967748 /nfs/dbraw/zinc/96/77/48/554967748.db2.gz MNWQSGOSVMPARA-INIZCTEOSA-N 0 3 368.319 2.367 20 10 FECDHN C[N@@H+]1CCC[C@H](N2CCN(Cc3cc(Br)ccc3[O-])CC2)C1 ZINC000362376260 554967747 /nfs/dbraw/zinc/96/77/47/554967747.db2.gz MNWQSGOSVMPARA-INIZCTEOSA-N 0 3 368.319 2.367 20 10 FECDHN C[C@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(N2CCOCC2)cc1 ZINC000363836977 555196321 /nfs/dbraw/zinc/19/63/21/555196321.db2.gz ZEXUOLHBOQLXTD-JXFKEZNVSA-N 0 3 370.497 2.440 20 10 FECDHN CN1CCCc2cc(CNC(=O)[C@]3(N)[C@H]4CCCO[C@@H]4C3(C)C)ccc21 ZINC000364200777 555268267 /nfs/dbraw/zinc/26/82/67/555268267.db2.gz LAKWHVGKKVKTBH-DJPFJPOOSA-N 0 3 357.498 2.218 20 10 FECDHN Nc1nccc([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000367656607 556106464 /nfs/dbraw/zinc/10/64/64/556106464.db2.gz DKZWLUKHRUJODC-QGZVFWFLSA-N 0 3 353.470 2.275 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(CC(=O)N3CCOCC3)CC2)c1 ZINC000368827381 556424189 /nfs/dbraw/zinc/42/41/89/556424189.db2.gz ZUYRZESVKPPARE-OAHLLOKOSA-N 0 3 362.470 2.423 20 10 FECDHN Cn1nncc1CNC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000370269216 556825850 /nfs/dbraw/zinc/82/58/50/556825850.db2.gz RBKVUUZDHQBHIM-UHFFFAOYSA-N 0 3 355.364 2.472 20 10 FECDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000372312990 557437272 /nfs/dbraw/zinc/43/72/72/557437272.db2.gz GGPAUZYKXQICAK-FQEVSTJZSA-N 0 3 356.514 2.025 20 10 FECDHN C[C@H](NC[C@H]1CN2CCCC[C@H]2CO1)c1ccc(N2CCOCC2)cc1 ZINC000374502038 557892044 /nfs/dbraw/zinc/89/20/44/557892044.db2.gz IGOZPSNINZDUFR-YYWHXJBOSA-N 0 3 359.514 2.427 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC3(CCOCC3)[C@@H]1C)cc2=O ZINC000375235416 557996435 /nfs/dbraw/zinc/99/64/35/557996435.db2.gz BAAVEWWNNCSDRS-ZDUSSCGKSA-N 0 3 374.441 2.003 20 10 FECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c([O-])c1 ZINC000809785413 674509875 /nfs/dbraw/zinc/50/98/75/674509875.db2.gz WHSJBMYPYOWRJZ-AWEZNQCLSA-N 0 3 368.499 2.085 20 10 FECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c([O-])c1 ZINC000809785413 674509876 /nfs/dbraw/zinc/50/98/76/674509876.db2.gz WHSJBMYPYOWRJZ-AWEZNQCLSA-N 0 3 368.499 2.085 20 10 FECDHN COc1cc(Br)cc(CN(C)[C@H](CO)COC(C)C)c1O ZINC000809768442 674509032 /nfs/dbraw/zinc/50/90/32/674509032.db2.gz LDBITENTLKKRFG-CYBMUJFWSA-N 0 3 362.264 2.381 20 10 FECDHN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826210432 608500475 /nfs/dbraw/zinc/50/04/75/608500475.db2.gz RGNNHCAVFICVGP-NSHDSACASA-N 0 3 355.398 2.440 20 10 FECDHN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826210432 608500477 /nfs/dbraw/zinc/50/04/77/608500477.db2.gz RGNNHCAVFICVGP-NSHDSACASA-N 0 3 355.398 2.440 20 10 FECDHN CNC(=O)[C@@H]1CCCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093360565 670751940 /nfs/dbraw/zinc/75/19/40/670751940.db2.gz RQLUWUPARQCEJN-SNVBAGLBSA-N 0 3 357.248 2.121 20 10 FECDHN CCOc1ccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c([O-])c1 ZINC000725847614 673094207 /nfs/dbraw/zinc/09/42/07/673094207.db2.gz HSESBYKWXDPSBN-UHFFFAOYSA-N 0 3 364.467 2.000 20 10 FECDHN Cc1cc(Br)cc(CN2CCC3(CNC(=O)N3C)CC2)c1O ZINC000822529944 675490866 /nfs/dbraw/zinc/49/08/66/675490866.db2.gz LKWIQBABSGQHBU-UHFFFAOYSA-N 0 3 368.275 2.453 20 10 FECDHN Cc1cc(Br)cc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c1[O-] ZINC000822529944 675490869 /nfs/dbraw/zinc/49/08/69/675490869.db2.gz LKWIQBABSGQHBU-UHFFFAOYSA-N 0 3 368.275 2.453 20 10 FECDHN C[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)c1ccccc1O ZINC000827956374 675788627 /nfs/dbraw/zinc/78/86/27/675788627.db2.gz LHYFHLAOLAPHDQ-JSGCOSHPSA-N 0 3 351.447 2.024 20 10 FECDHN NC(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000830656605 677052656 /nfs/dbraw/zinc/05/26/56/677052656.db2.gz CGVSXCZGUJDNKP-BXKDBHETSA-N 0 3 367.318 2.263 20 10 FECDHN C[C@H](CCS(C)(=O)=O)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000761991030 680736804 /nfs/dbraw/zinc/73/68/04/680736804.db2.gz XBYISRZQQFJLIZ-CQSZACIVSA-N 0 3 369.487 2.498 20 10 FECDHN CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc([O-])cs1 ZINC000765223120 680836042 /nfs/dbraw/zinc/83/60/42/680836042.db2.gz UPFZUSKRCKUACI-CYBMUJFWSA-N 0 3 354.472 2.333 20 10 FECDHN CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc([O-])cs1 ZINC000765223120 680836044 /nfs/dbraw/zinc/83/60/44/680836044.db2.gz UPFZUSKRCKUACI-CYBMUJFWSA-N 0 3 354.472 2.333 20 10 FECDHN Cc1cc([O-])c(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c(Cl)c1 ZINC000840951872 680856447 /nfs/dbraw/zinc/85/64/47/680856447.db2.gz KUKGXMKORNPAHD-AWEZNQCLSA-N 0 3 351.878 2.140 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C(C)(C)CN2CCOCC2)c1[O-] ZINC000840963255 680857437 /nfs/dbraw/zinc/85/74/37/680857437.db2.gz MOBTXFYABCDFBD-UHFFFAOYSA-N 0 3 373.291 2.364 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@@H](SC)C1)cc2=O ZINC000749465613 680052355 /nfs/dbraw/zinc/05/23/55/680052355.db2.gz FVRZREVFLZIVQD-CYBMUJFWSA-N 0 3 364.471 2.329 20 10 FECDHN CN(C)CCn1nccc1NC(=O)NCCCSc1nccs1 ZINC000836700414 680501636 /nfs/dbraw/zinc/50/16/36/680501636.db2.gz PYXHSJJTDIKEOY-UHFFFAOYSA-N 0 3 354.505 2.205 20 10 FECDHN C[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000766186608 680869509 /nfs/dbraw/zinc/86/95/09/680869509.db2.gz YKRCHQLBATXLOI-SCLBCKFNSA-N 0 3 364.877 2.294 20 10 FECDHN CN(C)c1ccc([C@H]([NH3+])C[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000842785102 680966308 /nfs/dbraw/zinc/96/63/08/680966308.db2.gz OTOMEPABNHMVBH-CQSZACIVSA-N 0 3 355.410 2.009 20 10 FECDHN C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)ccc1[O-] ZINC000842885173 680973538 /nfs/dbraw/zinc/97/35/38/680973538.db2.gz WKHWAXLHMRQBPQ-DGCLKSJQSA-N 0 3 351.399 2.417 20 10 FECDHN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H](N)CC(F)F)cc1 ZINC000843488251 681006602 /nfs/dbraw/zinc/00/66/02/681006602.db2.gz VIALWRMKYWHAMQ-HZPDHXFCSA-N 0 3 355.429 2.243 20 10 FECDHN COc1cccc(O)c1CNCCNS(=O)(=O)c1cc(C)sc1C ZINC000771980129 681076985 /nfs/dbraw/zinc/07/69/85/681076985.db2.gz NHRRJWRJWWXPON-UHFFFAOYSA-N 0 3 370.496 2.147 20 10 FECDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000774482608 681193952 /nfs/dbraw/zinc/19/39/52/681193952.db2.gz GZYYBBQVBQAARZ-QWRGUYRKSA-N 0 3 360.380 2.180 20 10 FECDHN C[C@@H](N[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000774482605 681194117 /nfs/dbraw/zinc/19/41/17/681194117.db2.gz GZYYBBQVBQAARZ-MNOVXSKESA-N 0 3 360.380 2.180 20 10 FECDHN C[C@H](NCCN1CCCC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000846209904 681201465 /nfs/dbraw/zinc/20/14/65/681201465.db2.gz TZGGRVBQVXVFAR-AWEZNQCLSA-N 0 3 351.878 2.450 20 10 FECDHN COc1cc(Br)cc([C@@H](C)NCC(=O)NCC2CC2)c1O ZINC000848544341 681574795 /nfs/dbraw/zinc/57/47/95/681574795.db2.gz QFRMUCPTILCBRP-SECBINFHSA-N 0 3 357.248 2.340 20 10 FECDHN COc1cc(Br)cc([C@H](C)N[C@H](C)C(=O)NCCF)c1O ZINC000848548915 681575842 /nfs/dbraw/zinc/57/58/42/681575842.db2.gz MCZHKJIETGHDQJ-DTWKUNHWSA-N 0 3 363.227 2.288 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(=O)NCCF)c1[O-] ZINC000848548915 681575846 /nfs/dbraw/zinc/57/58/46/681575846.db2.gz MCZHKJIETGHDQJ-DTWKUNHWSA-N 0 3 363.227 2.288 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCn3ccnc3C2)c1[O-] ZINC000778187652 681584037 /nfs/dbraw/zinc/58/40/37/681584037.db2.gz BYYREHMLSMZNRH-GFCCVEGCSA-N 0 3 352.232 2.464 20 10 FECDHN CCNS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779031544 681673727 /nfs/dbraw/zinc/67/37/27/681673727.db2.gz JNBCIZVRBNDMPB-SNVBAGLBSA-N 0 3 365.293 2.053 20 10 FECDHN O=S(=O)(C[C@@]12CCN(C1)CCC2)NCc1ccc(N2CCCC2)cc1 ZINC000913915263 685488604 /nfs/dbraw/zinc/48/86/04/685488604.db2.gz BJWHHRXTVBJYIM-IBGZPJMESA-N 0 3 363.527 2.192 20 10 FECDHN C[C@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000927033722 683201151 /nfs/dbraw/zinc/20/11/51/683201151.db2.gz PZRGFOLXQNAPBA-YJBOKZPZSA-N 0 3 354.516 2.123 20 10 FECDHN C[C@H]([NH2+]CC(=O)N1CCN(Cc2cccs2)CC1)c1ccccc1[O-] ZINC000879651633 686879542 /nfs/dbraw/zinc/87/95/42/686879542.db2.gz DYZPLKXANLTCNU-HNNXBMFYSA-N 0 3 359.495 2.449 20 10 FECDHN COCc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000891256395 689040742 /nfs/dbraw/zinc/04/07/42/689040742.db2.gz XUNGPRAIMNWBFM-INIZCTEOSA-N 0 3 362.499 2.388 20 10 FECDHN COc1ccc(CNCc2cccc(NS(C)(=O)=O)c2)c(O)c1OC ZINC000892484902 689202420 /nfs/dbraw/zinc/20/24/20/689202420.db2.gz BKSNQZXWQHLDFL-UHFFFAOYSA-N 0 3 366.439 2.071 20 10 FECDHN COC(=O)[C@@H]1[C@@H](CN(C)Cc2ccc(N3CCOCC3)cc2)C1(F)F ZINC000893910907 689427139 /nfs/dbraw/zinc/42/71/39/689427139.db2.gz QDAGRRJTPATOMD-CVEARBPZSA-N 0 3 354.397 2.009 20 10 FECDHN COC(=O)[C@H]1[C@H](CN(C)Cc2ccc(N3CCOCC3)cc2)C1(F)F ZINC000893911110 689427167 /nfs/dbraw/zinc/42/71/67/689427167.db2.gz QDAGRRJTPATOMD-JKSUJKDBSA-N 0 3 354.397 2.009 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCSC2)N(C)C)cc1 ZINC000894509271 689544962 /nfs/dbraw/zinc/54/49/62/689544962.db2.gz BBFNLYGSLKOIHB-WMLDXEAASA-N 0 3 350.532 2.408 20 10 FECDHN CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)O ZINC000899103895 690305013 /nfs/dbraw/zinc/30/50/13/690305013.db2.gz OUXHBBAFDGTCCG-IRXDYDNUSA-N 0 3 350.507 2.204 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c1[O-] ZINC000824708950 675617424 /nfs/dbraw/zinc/61/74/24/675617424.db2.gz LOOGCLAVQGDDLO-HZMBPMFUSA-N 0 3 360.248 2.304 20 10 FECDHN CN(C)C/C=C/C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203254 542638825 /nfs/dbraw/zinc/63/88/25/542638825.db2.gz UJPHIFNDKNYODT-YVZNUBBCSA-N 0 3 353.413 2.491 20 10 FECDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000085394456 542726307 /nfs/dbraw/zinc/72/63/07/542726307.db2.gz ANAVHUZUPLTVOQ-APWZRJJASA-N 0 3 360.502 2.005 20 10 FECDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000328635263 132306306 /nfs/dbraw/zinc/30/63/06/132306306.db2.gz NEYIKYQCVBMYNX-OALUTQOASA-N 0 3 356.470 2.359 20 10 FECDHN CCN(CCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000101984625 543053274 /nfs/dbraw/zinc/05/32/74/543053274.db2.gz FMDIBXSMYRYLAO-UHFFFAOYSA-N 0 3 374.529 2.179 20 10 FECDHN O=C(CN1C[C@@H]2CCC[C@@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000152974320 544719019 /nfs/dbraw/zinc/71/90/19/544719019.db2.gz ONDXGOKWONEFGI-CALCHBBNSA-N 0 3 361.461 2.010 20 10 FECDHN COc1ccc(N2CCC([NH2+]CCNC(=O)c3ccccc3[O-])CC2)cc1 ZINC000154680009 544935792 /nfs/dbraw/zinc/93/57/92/544935792.db2.gz CWVCXSDZBUAFSM-UHFFFAOYSA-N 0 3 369.465 2.389 20 10 FECDHN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000182503748 547504439 /nfs/dbraw/zinc/50/44/39/547504439.db2.gz NRJXUBWXNKUUIT-WMZOPIPTSA-N 0 3 370.490 2.108 20 10 FECDHN COCCCNC(=O)C1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184683004 547864430 /nfs/dbraw/zinc/86/44/30/547864430.db2.gz UAAPMCDTXHMKJW-UHFFFAOYSA-N 0 3 370.877 2.419 20 10 FECDHN O=C([C@@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2)N1CCOCC1 ZINC000185168486 547944842 /nfs/dbraw/zinc/94/48/42/547944842.db2.gz ZEJKPLMGMOAWJR-HXUWFJFHSA-N 0 3 366.461 2.181 20 10 FECDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000185589217 548006485 /nfs/dbraw/zinc/00/64/85/548006485.db2.gz SNDYZRYIKSRNTP-GOSISDBHSA-N 0 3 373.545 2.112 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000186100563 548084029 /nfs/dbraw/zinc/08/40/29/548084029.db2.gz PMCHZAOJFROGMP-LBPRGKRZSA-N 0 3 354.472 2.008 20 10 FECDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCc1ccc2c(c1)CNC2 ZINC000188706802 548285472 /nfs/dbraw/zinc/28/54/72/548285472.db2.gz RQEGZBUYBMCZBB-XBXARRHUSA-N 0 3 363.461 2.456 20 10 FECDHN COc1cc(C[NH2+]Cc2cc(C)ccc2[O-])ccc1OCC(=O)N(C)C ZINC000264975840 550003953 /nfs/dbraw/zinc/00/39/53/550003953.db2.gz RZHGIJUIWHMAKT-UHFFFAOYSA-N 0 3 358.438 2.466 20 10 FECDHN COc1cc(CNCc2cc(C)ccc2O)ccc1OCC(=O)N(C)C ZINC000264975840 550003958 /nfs/dbraw/zinc/00/39/58/550003958.db2.gz RZHGIJUIWHMAKT-UHFFFAOYSA-N 0 3 358.438 2.466 20 10 FECDHN COc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1[O-] ZINC000265826180 550014440 /nfs/dbraw/zinc/01/44/40/550014440.db2.gz YXWYUVOGCIYJDT-RTBURBONSA-N 0 3 356.466 2.373 20 10 FECDHN NC[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000269240934 550171217 /nfs/dbraw/zinc/17/12/17/550171217.db2.gz JPMFYMVNZJSEOI-NRFANRHFSA-N 0 3 367.493 2.254 20 10 FECDHN COc1cc(O)c(CN[C@H]2CCN(Cc3ccccc3)C2=O)cc1OC ZINC000271890368 550409204 /nfs/dbraw/zinc/40/92/04/550409204.db2.gz RVYKJWJJGVBRAI-INIZCTEOSA-N 0 3 356.422 2.300 20 10 FECDHN Cc1ccc(O)c(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273507308 550500877 /nfs/dbraw/zinc/50/08/77/550500877.db2.gz QHKHNZOMOSFPMU-UHFFFAOYSA-N 0 3 350.396 2.172 20 10 FECDHN COc1ccc(O)c([C@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000276946829 550613917 /nfs/dbraw/zinc/61/39/17/550613917.db2.gz UTYWVHCYYJDDIU-ZDUSSCGKSA-N 0 3 365.451 2.018 20 10 FECDHN CCN(CC)c1ccc(CN2C[C@H](CO)C[C@@H](OCCOC)C2)cc1 ZINC000278748134 550817770 /nfs/dbraw/zinc/81/77/70/550817770.db2.gz RWCBKLOZIXHUGZ-UYAOXDASSA-N 0 3 350.503 2.379 20 10 FECDHN Cc1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)c(C)n1-c1ccccn1 ZINC000281679405 551129615 /nfs/dbraw/zinc/12/96/15/551129615.db2.gz FBCWROSRGYIENK-UHFFFAOYSA-N 0 3 369.513 2.245 20 10 FECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000282326297 551212042 /nfs/dbraw/zinc/21/20/42/551212042.db2.gz ALFCGLQHSZKNLS-DOTOQJQBSA-N 0 3 361.486 2.107 20 10 FECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000282326297 551212044 /nfs/dbraw/zinc/21/20/44/551212044.db2.gz ALFCGLQHSZKNLS-DOTOQJQBSA-N 0 3 361.486 2.107 20 10 FECDHN CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289262656 552290932 /nfs/dbraw/zinc/29/09/32/552290932.db2.gz FUPORVHAPVNIQN-FXAWDEMLSA-N 0 3 358.486 2.485 20 10 FECDHN CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289262656 552290934 /nfs/dbraw/zinc/29/09/34/552290934.db2.gz FUPORVHAPVNIQN-FXAWDEMLSA-N 0 3 358.486 2.485 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN[C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000289360127 552306994 /nfs/dbraw/zinc/30/69/94/552306994.db2.gz IPIKTBXTGBIGTB-UNMCSNQZSA-N 0 3 366.509 2.404 20 10 FECDHN O=S(=O)(N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1)C(F)(F)F ZINC000297521610 553303516 /nfs/dbraw/zinc/30/35/16/553303516.db2.gz DBADFBJBHJWYML-LBPRGKRZSA-N 0 3 364.389 2.283 20 10 FECDHN C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc(Br)ccc3[O-])CC2)C1 ZINC000362376261 554968014 /nfs/dbraw/zinc/96/80/14/554968014.db2.gz MNWQSGOSVMPARA-MRXNPFEDSA-N 0 3 368.319 2.367 20 10 FECDHN C[N@H+]1CCC[C@@H](N2CCN(Cc3cc(Br)ccc3[O-])CC2)C1 ZINC000362376261 554968018 /nfs/dbraw/zinc/96/80/18/554968018.db2.gz MNWQSGOSVMPARA-MRXNPFEDSA-N 0 3 368.319 2.367 20 10 FECDHN CCOc1cccc(CN[C@H]2CCCN(Cc3ccnc(C)n3)C2=O)c1O ZINC000363966573 555223656 /nfs/dbraw/zinc/22/36/56/555223656.db2.gz NTAJYHICLMHGRH-KRWDZBQOSA-N 0 3 370.453 2.170 20 10 FECDHN COc1ccc2c(c1)[C@](O)(C[NH2+]Cc1cc3c(cc1[O-])OCO3)CCC2 ZINC000371357655 557159273 /nfs/dbraw/zinc/15/92/73/557159273.db2.gz OWAWMWZAWNVAEX-HXUWFJFHSA-N 0 3 357.406 2.443 20 10 FECDHN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000374514293 557893419 /nfs/dbraw/zinc/89/34/19/557893419.db2.gz NUHURSUIXOUVNZ-POZUXBRTSA-N 0 3 361.461 2.466 20 10 FECDHN COc1cccc(CN2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1O ZINC000377701564 558400792 /nfs/dbraw/zinc/40/07/92/558400792.db2.gz UBUSTSPCLCYTAJ-CVEARBPZSA-N 0 3 364.442 2.270 20 10 FECDHN COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000527775344 562303554 /nfs/dbraw/zinc/30/35/54/562303554.db2.gz SQAVWWSIWJGBFG-INIZCTEOSA-N 0 3 356.422 2.494 20 10 FECDHN Cc1cc(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)ccc1N(C)C ZINC000815117213 674920797 /nfs/dbraw/zinc/92/07/97/674920797.db2.gz AJUFYXFMAALKDE-QGZVFWFLSA-N 0 3 365.543 2.355 20 10 FECDHN COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000182358072 672443710 /nfs/dbraw/zinc/44/37/10/672443710.db2.gz IIRVFIKHLAJEGU-CYBMUJFWSA-N 0 3 360.435 2.397 20 10 FECDHN C[C@@H](CCS(C)(=O)=O)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000761991026 680736813 /nfs/dbraw/zinc/73/68/13/680736813.db2.gz XBYISRZQQFJLIZ-AWEZNQCLSA-N 0 3 369.487 2.498 20 10 FECDHN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCN(CC(F)(F)F)C1 ZINC000840141721 680801647 /nfs/dbraw/zinc/80/16/47/680801647.db2.gz XEQFPVULUIQBPL-IAQYHMDHSA-N 0 3 360.376 2.134 20 10 FECDHN C[NH+](C)CCOC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000769383308 680980263 /nfs/dbraw/zinc/98/02/63/680980263.db2.gz HDPAQFGEBOFHMY-UHFFFAOYSA-N 0 3 357.838 2.496 20 10 FECDHN CN1CCN(c2ccc(CN3CCN(CC(F)(F)F)CC3)cc2)CC1 ZINC000775645237 681320646 /nfs/dbraw/zinc/32/06/46/681320646.db2.gz GMIULTYWGFUUJT-UHFFFAOYSA-N 0 3 356.436 2.118 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c1[O-] ZINC000848528724 681571974 /nfs/dbraw/zinc/57/19/74/681571974.db2.gz NSTRKAOBKKRUFR-KOLCDFICSA-N 0 3 357.248 2.435 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)c1[O-] ZINC000848549762 681576239 /nfs/dbraw/zinc/57/62/39/681576239.db2.gz SWIBFYGLFVQREY-YHAQOWFVSA-N 0 3 360.248 2.354 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCC(O)CC2)c1[O-] ZINC000848553537 681576683 /nfs/dbraw/zinc/57/66/83/681576683.db2.gz UWDHVBOWHRGGFY-LLVKDONJSA-N 0 3 373.291 2.271 20 10 FECDHN COCCNC(=O)C1(NCc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000850325244 681885497 /nfs/dbraw/zinc/88/54/97/681885497.db2.gz YKCYLDNQUUAYPA-UHFFFAOYSA-N 0 3 350.459 2.083 20 10 FECDHN CCOCc1cc(CNC[C@@H]2CCCCN2S(C)(=O)=O)ccc1OC ZINC000796513982 683167562 /nfs/dbraw/zinc/16/75/62/683167562.db2.gz SDCNVHXVIRKQQZ-KRWDZBQOSA-N 0 3 370.515 2.135 20 10 FECDHN C[C@@H](NC[C@H](O)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000927135654 683211341 /nfs/dbraw/zinc/21/13/41/683211341.db2.gz ZWTSYJRITOAZPF-ACJLOTCBSA-N 0 3 364.877 2.294 20 10 FECDHN COc1cc(Br)cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1[O-] ZINC000862427591 683590055 /nfs/dbraw/zinc/59/00/55/683590055.db2.gz BONNPZZEKINPSN-LBPRGKRZSA-N 0 3 357.248 2.216 20 10 FECDHN COc1cc(Br)cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c1[O-] ZINC000862427591 683590058 /nfs/dbraw/zinc/59/00/58/683590058.db2.gz BONNPZZEKINPSN-LBPRGKRZSA-N 0 3 357.248 2.216 20 10 FECDHN CCN1CCC[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2[O-])C1=O ZINC000922641182 683760420 /nfs/dbraw/zinc/76/04/20/683760420.db2.gz ZNQCPCHHIURIAT-GFCCVEGCSA-N 0 3 357.248 2.264 20 10 FECDHN CN(Cc1ccccc1)C[C@@H](N)C(=O)NCCCSc1nccs1 ZINC000876662158 686238889 /nfs/dbraw/zinc/23/88/89/686238889.db2.gz MBXRHQJBVTXWAM-OAHLLOKOSA-N 0 3 364.540 2.201 20 10 FECDHN COc1cc(CNCCN2CCN(c3ccc(OC)cc3)CC2)sn1 ZINC000876981812 686304792 /nfs/dbraw/zinc/30/47/92/686304792.db2.gz XMMCLSSNWXUYAB-UHFFFAOYSA-N 0 3 362.499 2.072 20 10 FECDHN Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c([O-])c1 ZINC000877112525 686327128 /nfs/dbraw/zinc/32/71/28/686327128.db2.gz UOFPULKGBPAZTM-UHFFFAOYSA-N 0 3 352.378 2.104 20 10 FECDHN COC(=O)/C=C1/SCC(=O)N1CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648259 686879813 /nfs/dbraw/zinc/87/98/13/686879813.db2.gz GZUUFTUXZNXFKV-HMHNVIDESA-N 0 3 350.440 2.023 20 10 FECDHN C[C@H](N[C@@H](C)c1ccccc1O)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000879651051 686879873 /nfs/dbraw/zinc/87/98/73/686879873.db2.gz FUXNGUMIHICVKZ-STQMWFEESA-N 0 3 362.451 2.474 20 10 FECDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)Nc1ccccc1S(C)(=O)=O ZINC000879651051 686879877 /nfs/dbraw/zinc/87/98/77/686879877.db2.gz FUXNGUMIHICVKZ-STQMWFEESA-N 0 3 362.451 2.474 20 10 FECDHN CCC[C@H]1CN(Cc2ccc(OC)c(OC)c2O)CCN1CCOC ZINC000892211921 689165143 /nfs/dbraw/zinc/16/51/43/689165143.db2.gz OFMALQIATRUVKH-INIZCTEOSA-N 0 3 352.475 2.342 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)NCCc2nccs2)N(C)C)cc1 ZINC000892516499 689207147 /nfs/dbraw/zinc/20/71/47/689207147.db2.gz CATIFYOXQDIGAP-INIZCTEOSA-N 0 3 361.515 2.354 20 10 FECDHN COC(=O)[C@@H]1[C@H](CN(Cc2ccccc2O)C[C@@H]2CCCO2)C1(F)F ZINC000893879793 689422467 /nfs/dbraw/zinc/42/24/67/689422467.db2.gz JKGFMNOHPDZXPP-DZKIICNBSA-N 0 3 355.381 2.428 20 10 FECDHN C[C@H](O)C[C@H](C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102502 690304405 /nfs/dbraw/zinc/30/44/05/690304405.db2.gz QBAQPYKKMGUVEO-RLFYNMQTSA-N 0 3 350.507 2.062 20 10 FECDHN CCCOc1ccc(CN2CCC(N(C)S(C)(=O)=O)CC2)c(O)c1 ZINC000092530446 542869049 /nfs/dbraw/zinc/86/90/49/542869049.db2.gz SEDQIEPIJYXEFM-UHFFFAOYSA-N 0 3 356.488 2.037 20 10 FECDHN CN1C(=O)C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@@H]1c1ccc(F)cc1 ZINC000120100471 543675570 /nfs/dbraw/zinc/67/55/70/543675570.db2.gz PDGWMAVGDHXZSJ-LIRRHRJNSA-N 0 3 358.369 2.322 20 10 FECDHN CN1C(=O)C[C@H](NCc2cc3c(cc2O)OCO3)[C@@H]1c1ccc(F)cc1 ZINC000120100471 543675573 /nfs/dbraw/zinc/67/55/73/543675573.db2.gz PDGWMAVGDHXZSJ-LIRRHRJNSA-N 0 3 358.369 2.322 20 10 FECDHN C[NH+]1CCC(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000154018070 544852809 /nfs/dbraw/zinc/85/28/09/544852809.db2.gz GYDAXWIOBFAVMI-QGZVFWFLSA-N 0 3 365.905 2.468 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC(N3CCO[C@@H](C)C3)CC2)c1O ZINC000177280098 546585826 /nfs/dbraw/zinc/58/58/26/546585826.db2.gz UFXSZJNQHYQUBB-ZDUSSCGKSA-N 0 3 350.434 2.419 20 10 FECDHN C[C@@H](NCCN1CCOC(C)(C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178766009 546846875 /nfs/dbraw/zinc/84/68/75/546846875.db2.gz HOQYGARFZUOOAU-MRXNPFEDSA-N 0 3 365.493 2.424 20 10 FECDHN C[C@H]([NH2+]CCCN1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000184899870 547895959 /nfs/dbraw/zinc/89/59/59/547895959.db2.gz XFZIAQBKDFUEBX-ZDUSSCGKSA-N 0 3 356.308 2.443 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000185140783 547939033 /nfs/dbraw/zinc/93/90/33/547939033.db2.gz NXSWYDBMHGXERM-KDOFPFPSSA-N 0 3 352.500 2.259 20 10 FECDHN Cc1ccc(CN2CC[C@H](NCc3cc4c(cc3O)OCO4)C2=O)cc1 ZINC000191797614 548351585 /nfs/dbraw/zinc/35/15/85/548351585.db2.gz ZBNFBBBEPLBHEB-INIZCTEOSA-N 0 3 354.406 2.320 20 10 FECDHN CCn1cc([C@H](C)NCCN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000268801188 550117616 /nfs/dbraw/zinc/11/76/16/550117616.db2.gz GEUCXLFXVIQUEI-KRWDZBQOSA-N 0 3 357.502 2.384 20 10 FECDHN N[C@@H](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000269472839 550199681 /nfs/dbraw/zinc/19/96/81/550199681.db2.gz BWOUJIHEQAMLRV-IBGZPJMESA-N 0 3 371.456 2.493 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000271855315 550406421 /nfs/dbraw/zinc/40/64/21/550406421.db2.gz SDIOZJVDOUFDHX-OLZOCXBDSA-N 0 3 361.394 2.220 20 10 FECDHN CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(C)cc1[O-] ZINC000280278018 550976202 /nfs/dbraw/zinc/97/62/02/550976202.db2.gz YIESVJRBWNBQCP-QGZVFWFLSA-N 0 3 355.438 2.157 20 10 FECDHN COc1cc([O-])c(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1OC ZINC000294002922 552874301 /nfs/dbraw/zinc/87/43/01/552874301.db2.gz MJLIDMPSWKPDLH-GOSISDBHSA-N 0 3 351.443 2.067 20 10 FECDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCN(CCCO)C2)c1[O-] ZINC000294681729 552926289 /nfs/dbraw/zinc/92/62/89/552926289.db2.gz BGFPCJCFZWMALY-HNNXBMFYSA-N 0 3 357.292 2.400 20 10 FECDHN CCOc1ccc(O)c(CN(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000295058409 552954873 /nfs/dbraw/zinc/95/48/73/552954873.db2.gz GJAONYVOFBLPRM-CQSZACIVSA-N 0 3 354.447 2.108 20 10 FECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000296595918 553184619 /nfs/dbraw/zinc/18/46/19/553184619.db2.gz QWVWZEDRTPBZHR-OAHLLOKOSA-N 0 3 352.431 2.126 20 10 FECDHN COc1cc(O)c(CN2CCC(NC(=O)c3ccc[nH]3)CC2)cc1OC ZINC000371360204 557159935 /nfs/dbraw/zinc/15/99/35/557159935.db2.gz DILOBXLCUHFJBX-UHFFFAOYSA-N 0 3 359.426 2.132 20 10 FECDHN CCOc1ccc([O-])c(C[N@H+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)c1 ZINC000372428947 557468235 /nfs/dbraw/zinc/46/82/35/557468235.db2.gz SNHOGUXQYPUGGG-IYBDPMFKSA-N 0 3 372.469 2.300 20 10 FECDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)c1 ZINC000372428947 557468237 /nfs/dbraw/zinc/46/82/37/557468237.db2.gz SNHOGUXQYPUGGG-IYBDPMFKSA-N 0 3 372.469 2.300 20 10 FECDHN COCc1nccc([C@@H]2CCCN(Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000372435550 557469773 /nfs/dbraw/zinc/46/97/73/557469773.db2.gz LIUWMXWEXUQGMN-CYBMUJFWSA-N 0 3 357.410 2.437 20 10 FECDHN CN(C(=O)[C@H]1CC12CCN(Cc1cc3c(cc1O)OCO3)CC2)C1CC1 ZINC000374989349 557960106 /nfs/dbraw/zinc/96/01/06/557960106.db2.gz JKIQFRBNYRNOLF-OAHLLOKOSA-N 0 3 358.438 2.344 20 10 FECDHN CN(C)c1ccc(CNC(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)cc1F ZINC000376030913 558116634 /nfs/dbraw/zinc/11/66/34/558116634.db2.gz GDYKJXQBDHGYPV-UHFFFAOYSA-N 0 3 374.464 2.677 20 10 FECDHN COc1ccc(O)c(CN2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1 ZINC000377708714 558402310 /nfs/dbraw/zinc/40/23/10/558402310.db2.gz XQMYSFWIUKITSW-HOTGVXAUSA-N 0 3 364.442 2.270 20 10 FECDHN O=C(NCc1cc(Br)ccc1[O-])N[C@@H]1CC[NH2+]C12CCC2 ZINC000529353596 562370703 /nfs/dbraw/zinc/37/07/03/562370703.db2.gz XYLMKOVQPYWKAT-CYBMUJFWSA-N 0 3 354.248 2.239 20 10 FECDHN CCOc1cccc(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)c1O ZINC000821431120 599452070 /nfs/dbraw/zinc/45/20/70/599452070.db2.gz MXDNYYVLCNNMPG-UHFFFAOYSA-N 0 3 355.398 2.140 20 10 FECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1[O-] ZINC000808694918 674468890 /nfs/dbraw/zinc/46/88/90/674468890.db2.gz CHJNURWWWOANFT-NVXWUHKLSA-N 0 3 367.921 2.411 20 10 FECDHN C[N@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(N2CCOCC2)cc1 ZINC000825965848 608506894 /nfs/dbraw/zinc/50/68/94/608506894.db2.gz GBYFINOKIUVWFS-UHFFFAOYSA-N 0 3 370.482 2.397 20 10 FECDHN C[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(N2CCOCC2)cc1 ZINC000825965848 608506895 /nfs/dbraw/zinc/50/68/95/608506895.db2.gz GBYFINOKIUVWFS-UHFFFAOYSA-N 0 3 370.482 2.397 20 10 FECDHN CN(C)c1ccc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000733324487 673410058 /nfs/dbraw/zinc/41/00/58/673410058.db2.gz DNLHOHQJZPXIKT-UHFFFAOYSA-N 0 3 365.474 2.432 20 10 FECDHN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CCN(C2CC2)CC1 ZINC000760980153 680706465 /nfs/dbraw/zinc/70/64/65/680706465.db2.gz MRCGETAZDMDHCD-UHFFFAOYSA-N 0 3 363.845 2.437 20 10 FECDHN COc1cc(Br)cc(CNC(C)(C)CS(C)(=O)=O)c1O ZINC000762785257 680761539 /nfs/dbraw/zinc/76/15/39/680761539.db2.gz FRAJBXKGLXECBG-UHFFFAOYSA-N 0 3 366.277 2.076 20 10 FECDHN Cc1cc(N(C)C)ccc1CNC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000840936947 680854954 /nfs/dbraw/zinc/85/49/54/680854954.db2.gz OEHVDZVLQCUEKA-MRXNPFEDSA-N 0 3 356.392 2.334 20 10 FECDHN CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](O)C(F)(F)F ZINC000765787276 680855163 /nfs/dbraw/zinc/85/51/63/680855163.db2.gz KJLMUVYUWKNXNX-DZGCQCFKSA-N 0 3 350.356 2.454 20 10 FECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000835067794 680292926 /nfs/dbraw/zinc/29/29/26/680292926.db2.gz VOFQBLJQOYXNQI-ZDUSSCGKSA-N 0 3 352.431 2.126 20 10 FECDHN C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000766186606 680869588 /nfs/dbraw/zinc/86/95/88/680869588.db2.gz YKRCHQLBATXLOI-ACJLOTCBSA-N 0 3 364.877 2.294 20 10 FECDHN [NH3+]C[C@H]1CN(Cc2cccc(Br)c2[O-])CC12CCOCC2 ZINC000843124437 680989039 /nfs/dbraw/zinc/98/90/39/680989039.db2.gz AUMQYBZPUFHSCB-ZDUSSCGKSA-N 0 3 355.276 2.342 20 10 FECDHN COc1ccc(O)c([C@H](C)NCC(=O)NC(=O)NCc2cccs2)c1 ZINC000775370353 681301675 /nfs/dbraw/zinc/30/16/75/681301675.db2.gz LTFCQTOZRIJHRN-NSHDSACASA-N 0 3 363.439 2.139 20 10 FECDHN CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000778197181 681584883 /nfs/dbraw/zinc/58/48/83/681584883.db2.gz BKRYOLLIQROHQI-LBPRGKRZSA-N 0 3 350.415 2.468 20 10 FECDHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000849605801 681763664 /nfs/dbraw/zinc/76/36/64/681763664.db2.gz JXJAJWWGDZHYTB-HOTGVXAUSA-N 0 3 362.861 2.131 20 10 FECDHN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2c(s1)CCNC2 ZINC000852795545 682344091 /nfs/dbraw/zinc/34/40/91/682344091.db2.gz ZIXLOEPQAQMNOR-UHFFFAOYSA-N 0 3 357.479 2.160 20 10 FECDHN COc1ccc(N2CC[C@@H](NC(=O)c3cc4c(s3)CCNC4)C2)cc1 ZINC000852844147 682349443 /nfs/dbraw/zinc/34/94/43/682349443.db2.gz RAEPMNMOQLVJKD-CQSZACIVSA-N 0 3 357.479 2.411 20 10 FECDHN Cc1cccc(C[NH2+]CC[N-]S(=O)(=O)c2ccc(F)cc2F)c1O ZINC000799736396 683489003 /nfs/dbraw/zinc/48/90/03/683489003.db2.gz QCSSVTHUFMWBCY-UHFFFAOYSA-N 0 3 356.394 2.047 20 10 FECDHN COc1ccc(N2CCN(C[C@H](OC)C3CCOCC3)CC2)cc1F ZINC000876805531 686273107 /nfs/dbraw/zinc/27/31/07/686273107.db2.gz DGEHDFAJPYFMPN-IBGZPJMESA-N 0 3 352.450 2.398 20 10 FECDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1[O-] ZINC000877665156 686432504 /nfs/dbraw/zinc/43/25/04/686432504.db2.gz JSKNUOBVDYCYGD-AWEZNQCLSA-N 0 3 357.292 2.398 20 10 FECDHN CSc1nccnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245512 689039503 /nfs/dbraw/zinc/03/95/03/689039503.db2.gz FMZBQGRBWIDZEG-OAHLLOKOSA-N 0 3 359.499 2.297 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccnn2C(F)F)N(C)C)cc1 ZINC000891245796 689039560 /nfs/dbraw/zinc/03/95/60/689039560.db2.gz JRFZGBNANMZIKT-OAHLLOKOSA-N 0 3 351.401 2.377 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)CCn2cc(Cl)cn2)N(C)C)cc1 ZINC000891251273 689039994 /nfs/dbraw/zinc/03/99/94/689039994.db2.gz BKGNJQFOGVPGGP-QGZVFWFLSA-N 0 3 363.893 2.412 20 10 FECDHN CCOc1ccc(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c([O-])c1 ZINC000898364883 690166567 /nfs/dbraw/zinc/16/65/67/690166567.db2.gz RUOLDMQOYVDJHA-GFCCVEGCSA-N 0 3 364.833 2.308 20 10 FECDHN CCC[C@@H](O)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899095967 690302849 /nfs/dbraw/zinc/30/28/49/690302849.db2.gz NYZDMFLAHDTLQO-QZTJIDSGSA-N 0 3 350.507 2.206 20 10 FECDHN C[C@@H](CCCCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098243 690303433 /nfs/dbraw/zinc/30/34/33/690303433.db2.gz MZUIQFOYDUGJBX-YJBOKZPZSA-N 0 3 350.507 2.206 20 10 FECDHN C[C@@H](CC(C)(C)O)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099253 690303862 /nfs/dbraw/zinc/30/38/62/690303862.db2.gz XOVXKNQOFGINMA-WMLDXEAASA-N 0 3 350.507 2.204 20 10 FECDHN C[C@@H](CC(C)(C)O)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099254 690303917 /nfs/dbraw/zinc/30/39/17/690303917.db2.gz XOVXKNQOFGINMA-YOEHRIQHSA-N 0 3 350.507 2.204 20 10 FECDHN COc1ccc(N2CCC(N(C)CC(=O)NCC(F)(F)F)CC2)cc1 ZINC000072801199 541868669 /nfs/dbraw/zinc/86/86/69/541868669.db2.gz DCICHAUTCGVJOV-UHFFFAOYSA-N 0 3 359.392 2.274 20 10 FECDHN Cc1cc(Br)c(O)c(CN2CCN([C@H]3CCOC3)CC2)c1 ZINC000827120485 675731155 /nfs/dbraw/zinc/73/11/55/675731155.db2.gz TYNYQQZESUWPCJ-AWEZNQCLSA-N 0 3 355.276 2.370 20 10 FECDHN COc1cccc(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1[O-] ZINC000091921419 542832112 /nfs/dbraw/zinc/83/21/12/542832112.db2.gz HFMRODWMFJPXKU-HUUCEWRRSA-N 0 3 362.470 2.249 20 10 FECDHN CC(C)[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000165488055 546153291 /nfs/dbraw/zinc/15/32/91/546153291.db2.gz NMXDDVCYUWAPER-OAHLLOKOSA-N 0 3 359.392 2.142 20 10 FECDHN C[C@@H](N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1(C)CC1 ZINC000177231138 546575818 /nfs/dbraw/zinc/57/58/18/546575818.db2.gz FMTNAFNKEDZWCP-OAHLLOKOSA-N 0 3 363.477 2.399 20 10 FECDHN COc1ccc(N2CCCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)cc1 ZINC000237264219 548811898 /nfs/dbraw/zinc/81/18/98/548811898.db2.gz IHVLYILRLFRKGB-FQEVSTJZSA-N 0 3 353.466 2.304 20 10 FECDHN Oc1cc2c(cc1CNCc1ccnc(OC3CCOCC3)c1)OCO2 ZINC000264936435 550004048 /nfs/dbraw/zinc/00/40/48/550004048.db2.gz DFYVMSRUTMNVJT-UHFFFAOYSA-N 0 3 358.394 2.364 20 10 FECDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000268197467 550037663 /nfs/dbraw/zinc/03/76/63/550037663.db2.gz NZHXABINNPQSBF-HWZIQRBVSA-N 0 3 355.482 2.135 20 10 FECDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000272282505 550434077 /nfs/dbraw/zinc/43/40/77/550434077.db2.gz BVIPNULNLYHMSI-ICSRJNTNSA-N 0 3 372.513 2.149 20 10 FECDHN CSCC[C@@H](N)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000272491612 550453062 /nfs/dbraw/zinc/45/30/62/550453062.db2.gz TZSDRMWPNFNORZ-SWLSCSKDSA-N 0 3 373.469 2.453 20 10 FECDHN O=C1NC(=O)C2(CC[NH+](Cc3cc(-c4ccccc4)ccc3[O-])CC2)N1 ZINC000272872176 550474489 /nfs/dbraw/zinc/47/44/89/550474489.db2.gz WLXUMVWQDCGYNY-UHFFFAOYSA-N 0 3 351.406 2.233 20 10 FECDHN Cc1ccc([C@H](C)NCCS(=O)(=O)NC[C@H]2CCCCO2)c(O)c1C ZINC000273501049 550500527 /nfs/dbraw/zinc/50/05/27/550500527.db2.gz QEHLTPVEPJORQY-JKSUJKDBSA-N 0 3 370.515 2.148 20 10 FECDHN COc1ccc(O)c([C@@H](C)NCc2ccc(OCC(N)=O)c(OC)c2)c1 ZINC000273572527 550503650 /nfs/dbraw/zinc/50/36/50/550503650.db2.gz KYPULMVLPLXFFI-GFCCVEGCSA-N 0 3 360.410 2.124 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)c1 ZINC000273572527 550503652 /nfs/dbraw/zinc/50/36/52/550503652.db2.gz KYPULMVLPLXFFI-GFCCVEGCSA-N 0 3 360.410 2.124 20 10 FECDHN COc1cccc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1[O-] ZINC000276965011 550616377 /nfs/dbraw/zinc/61/63/77/550616377.db2.gz QKAKHBYYRUIXQA-UHFFFAOYSA-N 0 3 356.488 2.083 20 10 FECDHN C[C@@H]1CN(CCCNC(=O)NCc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000277360571 550660851 /nfs/dbraw/zinc/66/08/51/550660851.db2.gz IICUNUFGAMVETI-OAHLLOKOSA-N 0 3 366.481 2.192 20 10 FECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NCC(F)F)c1[O-] ZINC000280830524 551036905 /nfs/dbraw/zinc/03/69/05/551036905.db2.gz KZMPHPHEYMJJHF-MRVPVSSYSA-N 0 3 351.191 2.495 20 10 FECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000282326308 551212144 /nfs/dbraw/zinc/21/21/44/551212144.db2.gz ALFCGLQHSZKNLS-RDJZCZTQSA-N 0 3 361.486 2.107 20 10 FECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000282326308 551212145 /nfs/dbraw/zinc/21/21/45/551212145.db2.gz ALFCGLQHSZKNLS-RDJZCZTQSA-N 0 3 361.486 2.107 20 10 FECDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000290649823 552512797 /nfs/dbraw/zinc/51/27/97/552512797.db2.gz ZASWMVZWTUNSES-LLVKDONJSA-N 0 3 362.289 2.378 20 10 FECDHN Cc1cc([O-])c(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cc1C ZINC000292459816 552728950 /nfs/dbraw/zinc/72/89/50/552728950.db2.gz OXRUKAQIIBSCHY-UHFFFAOYSA-N 0 3 364.467 2.167 20 10 FECDHN Cc1cc([O-])c(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cc1C ZINC000292459816 552728951 /nfs/dbraw/zinc/72/89/51/552728951.db2.gz OXRUKAQIIBSCHY-UHFFFAOYSA-N 0 3 364.467 2.167 20 10 FECDHN C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCN(C2CC2)C1 ZINC000297364110 553283395 /nfs/dbraw/zinc/28/33/95/553283395.db2.gz LUWKONOGALXPFS-QGZVFWFLSA-N 0 3 372.513 2.149 20 10 FECDHN Cn1nncc1CNC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000360021384 554859727 /nfs/dbraw/zinc/85/97/27/554859727.db2.gz NQLPUNQYLXQOCN-GFCCVEGCSA-N 0 3 355.364 2.330 20 10 FECDHN CN(C)c1ccc(CN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C2CC2)cc1 ZINC000365146737 555494960 /nfs/dbraw/zinc/49/49/60/555494960.db2.gz OIQCGUVYWVDTGY-PMACEKPBSA-N 0 3 372.513 2.290 20 10 FECDHN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCN1C1CCOCC1 ZINC000515653166 562018559 /nfs/dbraw/zinc/01/85/59/562018559.db2.gz WRHWZEFPPGKMNG-GOSISDBHSA-N 0 3 359.470 2.121 20 10 FECDHN COC(=O)[C@]12C[N@H+](Cc3cc(Cl)cc(OC)c3[O-])C[C@H]1COCC2 ZINC000369542483 556626647 /nfs/dbraw/zinc/62/66/47/556626647.db2.gz UJCCVODJBFFREN-YVEFUNNKSA-N 0 3 355.818 2.066 20 10 FECDHN COC(=O)[C@]12C[N@@H+](Cc3cc(Cl)cc(OC)c3[O-])C[C@H]1COCC2 ZINC000369542483 556626648 /nfs/dbraw/zinc/62/66/48/556626648.db2.gz UJCCVODJBFFREN-YVEFUNNKSA-N 0 3 355.818 2.066 20 10 FECDHN COc1cc(O)c(CNCC(=O)N[C@@H]2CCOc3ccccc32)cc1OC ZINC000374325796 557865951 /nfs/dbraw/zinc/86/59/51/557865951.db2.gz CMKDJAMDWDFDIE-OAHLLOKOSA-N 0 3 372.421 2.139 20 10 FECDHN O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000375751521 558076855 /nfs/dbraw/zinc/07/68/55/558076855.db2.gz SWSPENUYMIMIMN-ZDUSSCGKSA-N 0 3 352.481 2.254 20 10 FECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000377640202 558383845 /nfs/dbraw/zinc/38/38/45/558383845.db2.gz MGTROLREPILNPH-HNNXBMFYSA-N 0 3 355.438 2.258 20 10 FECDHN CN1CCN(C2(CNC(=O)Cc3ccc(N)cc3)CCCCCC2)CC1 ZINC000378200432 558501054 /nfs/dbraw/zinc/50/10/54/558501054.db2.gz CZSPMRVRFMHPSO-UHFFFAOYSA-N 0 3 358.530 2.268 20 10 FECDHN CCc1nc(CN2CCC[C@@H]([N@H+](C)Cc3cc4c(cc3[O-])OCO4)C2)no1 ZINC000378343183 558534352 /nfs/dbraw/zinc/53/43/52/558534352.db2.gz RQNNHKDATVASDQ-CQSZACIVSA-N 0 3 374.441 2.163 20 10 FECDHN CCc1nc(CN2CCC[C@@H]([N@@H+](C)Cc3cc4c(cc3[O-])OCO4)C2)no1 ZINC000378343183 558534354 /nfs/dbraw/zinc/53/43/54/558534354.db2.gz RQNNHKDATVASDQ-CQSZACIVSA-N 0 3 374.441 2.163 20 10 FECDHN CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000809785600 674509878 /nfs/dbraw/zinc/50/98/78/674509878.db2.gz ZTNXDPLCXTUQGG-LBPRGKRZSA-N 0 3 361.305 2.420 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)CSC)c1[O-] ZINC000120625290 671931095 /nfs/dbraw/zinc/93/10/95/671931095.db2.gz CNSSHHMVFBKVEL-CYBMUJFWSA-N 0 3 350.278 2.367 20 10 FECDHN Cc1cc(S(=O)(=O)NCCNCc2ccc3c(c2)CCO3)c(C)s1 ZINC000158383109 672269009 /nfs/dbraw/zinc/26/90/09/672269009.db2.gz BLTSPZOHIBOEEU-UHFFFAOYSA-N 0 3 366.508 2.368 20 10 FECDHN Cc1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)c(O)c1O ZINC000179428149 672401911 /nfs/dbraw/zinc/40/19/11/672401911.db2.gz GIZZEVQJDAOYBC-UHFFFAOYSA-N 0 3 350.484 2.498 20 10 FECDHN Cc1ccc(S(=O)(=O)NCCNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000733325549 673410010 /nfs/dbraw/zinc/41/00/10/673410010.db2.gz JIYWKXJUSCKUQS-UHFFFAOYSA-N 0 3 365.474 2.268 20 10 FECDHN CCOc1ccc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000824563760 675610550 /nfs/dbraw/zinc/61/05/50/675610550.db2.gz BZRRBWRXYZKLHG-AWEZNQCLSA-N 0 3 354.447 2.108 20 10 FECDHN CCOc1ccc(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000824563760 675610552 /nfs/dbraw/zinc/61/05/52/675610552.db2.gz BZRRBWRXYZKLHG-AWEZNQCLSA-N 0 3 354.447 2.108 20 10 FECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824828177 675623921 /nfs/dbraw/zinc/62/39/21/675623921.db2.gz LUJXAVSJZPLHQJ-NWDGAFQWSA-N 0 3 358.360 2.243 20 10 FECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824828177 675623923 /nfs/dbraw/zinc/62/39/23/675623923.db2.gz LUJXAVSJZPLHQJ-NWDGAFQWSA-N 0 3 358.360 2.243 20 10 FECDHN Cc1cc([O-])c(C[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)cc1Cl ZINC000825185304 675640541 /nfs/dbraw/zinc/64/05/41/675640541.db2.gz MESFXEBFRNCYPY-MRXNPFEDSA-N 0 3 353.894 2.386 20 10 FECDHN C[C@H](C[NH2+]Cc1ccc(Br)cc1[O-])CN1CCN(C)CC1 ZINC000825247741 675643489 /nfs/dbraw/zinc/64/34/89/675643489.db2.gz WLWLQPLDBODAEZ-CYBMUJFWSA-N 0 3 356.308 2.128 20 10 FECDHN [O-]c1cc(Br)ccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827698650 675773500 /nfs/dbraw/zinc/77/35/00/675773500.db2.gz ADTMYXPUBVOMRF-OAHLLOKOSA-N 0 3 355.276 2.186 20 10 FECDHN [O-]c1cc(Br)ccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000827698650 675773501 /nfs/dbraw/zinc/77/35/01/675773501.db2.gz ADTMYXPUBVOMRF-OAHLLOKOSA-N 0 3 355.276 2.186 20 10 FECDHN COc1cc(Br)cc(C[N@H+](C)C2(CO)CCOCC2)c1[O-] ZINC000827907510 675786134 /nfs/dbraw/zinc/78/61/34/675786134.db2.gz AJCPYFCLCLLBRR-UHFFFAOYSA-N 0 3 360.248 2.137 20 10 FECDHN COc1cc(Br)cc(C[N@@H+](C)C2(CO)CCOCC2)c1[O-] ZINC000827907510 675786136 /nfs/dbraw/zinc/78/61/36/675786136.db2.gz AJCPYFCLCLLBRR-UHFFFAOYSA-N 0 3 360.248 2.137 20 10 FECDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCCSc1nccs1 ZINC000829528639 675881853 /nfs/dbraw/zinc/88/18/53/675881853.db2.gz UXTGMMUJMHZBPN-HSMVNMDESA-N 0 3 355.529 2.274 20 10 FECDHN CCNS(=O)(=O)c1cccc(CNCc2cc(OCC)ccc2O)c1 ZINC000839148324 680741716 /nfs/dbraw/zinc/74/17/16/680741716.db2.gz YSBVQQHHFCOTBD-UHFFFAOYSA-N 0 3 364.467 2.379 20 10 FECDHN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](O)C(F)(F)F ZINC000765787278 680855191 /nfs/dbraw/zinc/85/51/91/680855191.db2.gz KJLMUVYUWKNXNX-UKRRQHHQSA-N 0 3 350.356 2.454 20 10 FECDHN CN(CC[NH2+][C@H]1CCc2cccc([O-])c21)S(=O)(=O)c1ccc(F)cc1 ZINC000834790730 680268041 /nfs/dbraw/zinc/26/80/41/680268041.db2.gz VIMIKDABRVWDLJ-INIZCTEOSA-N 0 3 364.442 2.429 20 10 FECDHN CN(C)c1ccc(/C=C/CNC[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000835052835 680291453 /nfs/dbraw/zinc/29/14/53/680291453.db2.gz HWNRFORQZZHOOI-IPLHWJFFSA-N 0 3 351.516 2.170 20 10 FECDHN COc1cc(Br)cc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835073585 680293318 /nfs/dbraw/zinc/29/33/18/680293318.db2.gz NMIGKQSAMPDVDG-QWHCGFSZSA-N 0 3 369.259 2.406 20 10 FECDHN C[C@@H]1C[C@@H]([NH2+]C2CCN(CCS(C)(=O)=O)CC2)c2c1c(F)ccc2[O-] ZINC000756562000 680485714 /nfs/dbraw/zinc/48/57/14/680485714.db2.gz DKWNTOCYXCDRDR-IUODEOHRSA-N 0 3 370.490 2.178 20 10 FECDHN COc1cccc(O)c1CN1CCN(CCCOCC(F)(F)F)CC1 ZINC000769111950 680971270 /nfs/dbraw/zinc/97/12/70/680971270.db2.gz UOESUXAKKHPEEK-UHFFFAOYSA-N 0 3 362.392 2.487 20 10 FECDHN CC(C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)N1CCN(C)CC1 ZINC000844869672 681088960 /nfs/dbraw/zinc/08/89/60/681088960.db2.gz ULYJHTNCBTXWNX-INIZCTEOSA-N 0 3 368.909 2.117 20 10 FECDHN C[C@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000846182204 681196817 /nfs/dbraw/zinc/19/68/17/681196817.db2.gz AIMYHOCSTGJFFM-RDJZCZTQSA-N 0 3 351.516 2.361 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000848553281 681576910 /nfs/dbraw/zinc/57/69/10/681576910.db2.gz SIFHXVWKRRZZNA-WCABBAIRSA-N 0 3 357.248 2.468 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)c1[O-] ZINC000850344066 681888332 /nfs/dbraw/zinc/88/83/32/681888332.db2.gz ATDQFIYQZAUEQD-IINYFYTJSA-N 0 3 360.248 2.304 20 10 FECDHN C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1[O-] ZINC000783508615 682148275 /nfs/dbraw/zinc/14/82/75/682148275.db2.gz FVTCKNVLHPVXCI-OAHLLOKOSA-N 0 3 360.479 2.478 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](CCF)C1)cc2=O ZINC000852533008 682297030 /nfs/dbraw/zinc/29/70/30/682297030.db2.gz ONDIPBZZIOYPFE-LBPRGKRZSA-N 0 3 350.394 2.183 20 10 FECDHN COc1cc(Br)cc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1[O-] ZINC000789764520 682629546 /nfs/dbraw/zinc/62/95/46/682629546.db2.gz YJJGHCVYPCQDKQ-LBPRGKRZSA-N 0 3 373.291 2.316 20 10 FECDHN COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1[O-] ZINC000789764520 682629549 /nfs/dbraw/zinc/62/95/49/682629549.db2.gz YJJGHCVYPCQDKQ-LBPRGKRZSA-N 0 3 373.291 2.316 20 10 FECDHN COc1ccc(CNCCNS(=O)(=O)c2ccc(F)cc2F)cc1C ZINC000799345433 683447130 /nfs/dbraw/zinc/44/71/30/683447130.db2.gz BMKMYOZDRIMKOU-UHFFFAOYSA-N 0 3 370.421 2.350 20 10 FECDHN C[NH+]1CCC2(CC1)CN(Cc1c([O-])cccc1Br)CCO2 ZINC000862399992 683584179 /nfs/dbraw/zinc/58/41/79/683584179.db2.gz JTDCVGCXMPHDGZ-UHFFFAOYSA-N 0 3 355.276 2.451 20 10 FECDHN O=C1C[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCCN1 ZINC000877033892 686315263 /nfs/dbraw/zinc/31/52/63/686315263.db2.gz QWRFWEPVQFDTHV-CVEARBPZSA-N 0 3 351.878 2.268 20 10 FECDHN Cc1cccc([O-])c1C[NH2+]CCOc1ccc(NS(C)(=O)=O)cc1 ZINC000877135912 686330678 /nfs/dbraw/zinc/33/06/78/686330678.db2.gz QMJZZBFGKGQQIK-UHFFFAOYSA-N 0 3 350.440 2.241 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)CCOCC(F)(F)F)N(C)C)cc1 ZINC000891256292 689040758 /nfs/dbraw/zinc/04/07/58/689040758.db2.gz XCVYZFLJZSTZTG-HNNXBMFYSA-N 0 3 361.408 2.441 20 10 FECDHN COc1cc(O)c(CN[C@@H]2CON(C(=O)OC(C)(C)C)C2)cc1OC ZINC000897002643 689961314 /nfs/dbraw/zinc/96/13/14/689961314.db2.gz WIULSZNPDVMHPV-LBPRGKRZSA-N 0 3 354.403 2.050 20 10 FECDHN C[C@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000089682339 542769348 /nfs/dbraw/zinc/76/93/48/542769348.db2.gz ZZDLUKFFDHLQLP-MAUKXSAKSA-N 0 3 363.477 2.176 20 10 FECDHN C[C@H](NC[C@H]1CN2CCCC[C@@H]2CO1)c1ccc(N2CCOCC2)cc1 ZINC000090916988 542789162 /nfs/dbraw/zinc/78/91/62/542789162.db2.gz IGOZPSNINZDUFR-WMQCIHAUSA-N 0 3 359.514 2.427 20 10 FECDHN CN(C[C@@H]1CCCN(C)C1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000115439777 543567692 /nfs/dbraw/zinc/56/76/92/543567692.db2.gz GLXNOYBSCNTHSZ-QPGLYAHGSA-N 0 3 357.498 2.337 20 10 FECDHN COCCCN1CCC(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000171203502 546196258 /nfs/dbraw/zinc/19/62/58/546196258.db2.gz PIUDUGKQIVOBKQ-UHFFFAOYSA-N 0 3 366.481 2.192 20 10 FECDHN CCOc1cccc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1[O-] ZINC000181116543 547252842 /nfs/dbraw/zinc/25/28/42/547252842.db2.gz DWXISPJSLRFPRN-UHFFFAOYSA-N 0 3 370.515 2.331 20 10 FECDHN Cc1cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000184080687 547767050 /nfs/dbraw/zinc/76/70/50/547767050.db2.gz IDJMMWVWSCIJHM-MRXNPFEDSA-N 0 3 369.513 2.245 20 10 FECDHN Cc1ccc([O-])c(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000185155338 547942641 /nfs/dbraw/zinc/94/26/41/547942641.db2.gz JEEDZGFQUHHSMO-IBGZPJMESA-N 0 3 354.450 2.260 20 10 FECDHN Cc1ccc(O)c(CN[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000185155338 547942645 /nfs/dbraw/zinc/94/26/45/547942645.db2.gz JEEDZGFQUHHSMO-IBGZPJMESA-N 0 3 354.450 2.260 20 10 FECDHN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186054673 548078808 /nfs/dbraw/zinc/07/88/08/548078808.db2.gz IRFCWFQVMVEIJK-ACJLOTCBSA-N 0 3 354.454 2.461 20 10 FECDHN CCOc1ccc(O)c(CNCCS(=O)(=O)NCc2ccccc2)c1 ZINC000237041135 548796244 /nfs/dbraw/zinc/79/62/44/548796244.db2.gz RVWDUBSISGJQGA-UHFFFAOYSA-N 0 3 364.467 2.000 20 10 FECDHN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCCCN1 ZINC000237827745 548856050 /nfs/dbraw/zinc/85/60/50/548856050.db2.gz UPNSQUHMINNLPQ-INIZCTEOSA-N 0 3 371.403 2.300 20 10 FECDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1cc2c(cc1O)OCO2 ZINC000266138663 550017752 /nfs/dbraw/zinc/01/77/52/550017752.db2.gz GMKWHMLIVDBBHB-INIZCTEOSA-N 0 3 367.405 2.049 20 10 FECDHN COc1cccc(CNC(=O)C(=O)Nc2cc(CN(C)C)ccc2C)c1O ZINC000267394905 550030389 /nfs/dbraw/zinc/03/03/89/550030389.db2.gz WIBRIYFVGTXZTI-UHFFFAOYSA-N 0 3 371.437 2.026 20 10 FECDHN O=S1(=O)CCC(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000271307419 550363152 /nfs/dbraw/zinc/36/31/52/550363152.db2.gz QGFHPNGZTREUGC-KRWDZBQOSA-N 0 3 353.484 2.198 20 10 FECDHN O=S1(=O)CCC(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000271307419 550363155 /nfs/dbraw/zinc/36/31/55/550363155.db2.gz QGFHPNGZTREUGC-KRWDZBQOSA-N 0 3 353.484 2.198 20 10 FECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1[O-] ZINC000275313831 550571390 /nfs/dbraw/zinc/57/13/90/550571390.db2.gz JSWZOOOMUTYDAW-JSGCOSHPSA-N 0 3 356.308 2.360 20 10 FECDHN CN(C)CCc1ccccc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000275472830 550572574 /nfs/dbraw/zinc/57/25/74/550572574.db2.gz OEUZSCOBVKMTGK-UHFFFAOYSA-N 0 3 355.438 2.093 20 10 FECDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000278400866 550781715 /nfs/dbraw/zinc/78/17/15/550781715.db2.gz UDEZSVUNAIZVGZ-MRXNPFEDSA-N 0 3 360.502 2.147 20 10 FECDHN C[C@@H](CO)[C@H](C)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000295711431 553048209 /nfs/dbraw/zinc/04/82/09/553048209.db2.gz KEKMUHABXRNYPE-STQMWFEESA-N 0 3 366.417 2.007 20 10 FECDHN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360078417 554861890 /nfs/dbraw/zinc/86/18/90/554861890.db2.gz HXILEPZRDVBMTN-WBVHZDCISA-N 0 3 373.476 2.325 20 10 FECDHN CN(C)c1ccc(C2=CCN(C[C@H]3CCCN(S(C)(=O)=O)C3)C2)cc1 ZINC000374782864 557930724 /nfs/dbraw/zinc/93/07/24/557930724.db2.gz PZCBLUUORDDRAS-MRXNPFEDSA-N 0 3 363.527 2.123 20 10 FECDHN COc1ccc(N2CCC(N(C)C[C@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000375363238 558015540 /nfs/dbraw/zinc/01/55/40/558015540.db2.gz RWVUNBREEMCTLD-MRXNPFEDSA-N 0 3 366.527 2.421 20 10 FECDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1 ZINC000375556371 558047676 /nfs/dbraw/zinc/04/76/76/558047676.db2.gz FJMIOYLLDJAOJB-AWEZNQCLSA-N 0 3 372.469 2.088 20 10 FECDHN Cc1cccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1[O-] ZINC000375557472 558047933 /nfs/dbraw/zinc/04/79/33/558047933.db2.gz LLCJNDOQOLJUKU-HNNXBMFYSA-N 0 3 356.470 2.388 20 10 FECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000378440242 558557834 /nfs/dbraw/zinc/55/78/34/558557834.db2.gz AQOMWJUTFFFGQW-HOTGVXAUSA-N 0 3 361.442 2.231 20 10 FECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000378440242 558557836 /nfs/dbraw/zinc/55/78/36/558557836.db2.gz AQOMWJUTFFFGQW-HOTGVXAUSA-N 0 3 361.442 2.231 20 10 FECDHN O=C(NCc1cc(Br)ccc1[O-])N[C@H]1CC[NH2+]C12CCC2 ZINC000529353597 562370675 /nfs/dbraw/zinc/37/06/75/562370675.db2.gz XYLMKOVQPYWKAT-ZDUSSCGKSA-N 0 3 354.248 2.239 20 10 FECDHN CN(C)c1ccc(CN[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000808433963 674458888 /nfs/dbraw/zinc/45/88/88/674458888.db2.gz STAUCLQGRZUNHO-KRWDZBQOSA-N 0 3 359.495 2.305 20 10 FECDHN COc1ccc(N2CC[C@@H](CNC(=S)NC3CCN(C)CC3)C2)cc1 ZINC000819021611 675253311 /nfs/dbraw/zinc/25/33/11/675253311.db2.gz UFTYIKYJCSDOGU-HNNXBMFYSA-N 0 3 362.543 2.080 20 10 FECDHN C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc(Br)cc3[O-])CC2)C1 ZINC000824761671 675620628 /nfs/dbraw/zinc/62/06/28/675620628.db2.gz ILMCAJQSIAYTPF-INIZCTEOSA-N 0 3 368.319 2.367 20 10 FECDHN C[N@H+]1CCC[C@H](N2CCN(Cc3ccc(Br)cc3[O-])CC2)C1 ZINC000824761671 675620629 /nfs/dbraw/zinc/62/06/29/675620629.db2.gz ILMCAJQSIAYTPF-INIZCTEOSA-N 0 3 368.319 2.367 20 10 FECDHN COc1cc(Cl)cc(CN[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000761206700 680714889 /nfs/dbraw/zinc/71/48/89/680714889.db2.gz NTPJFDKCRKNNJB-QMTHXVAHSA-N 0 3 364.833 2.071 20 10 FECDHN COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000763401970 680782261 /nfs/dbraw/zinc/78/22/61/680782261.db2.gz IGXVXFVMPKUTKF-UHFFFAOYSA-N 0 3 353.415 2.241 20 10 FECDHN C[C@H](NC[C@@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000840827389 680845198 /nfs/dbraw/zinc/84/51/98/680845198.db2.gz ISTRYCLQFCWDGL-KBPBESRZSA-N 0 3 351.878 2.353 20 10 FECDHN CN1CCC(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])(N2CCOCC2)CC1 ZINC000840954191 680856763 /nfs/dbraw/zinc/85/67/63/680856763.db2.gz AABGYKRNVZFGMY-UHFFFAOYSA-N 0 3 371.884 2.071 20 10 FECDHN CCOc1ccc(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)c([O-])c1 ZINC000769003814 680967647 /nfs/dbraw/zinc/96/76/47/680967647.db2.gz GKPBBTGNFFREQN-GDBMZVCRSA-N 0 3 350.459 2.154 20 10 FECDHN CCOc1ccc(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)c([O-])c1 ZINC000769003814 680967648 /nfs/dbraw/zinc/96/76/48/680967648.db2.gz GKPBBTGNFFREQN-GDBMZVCRSA-N 0 3 350.459 2.154 20 10 FECDHN O=C(NC[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1)[C@H]1CCC[NH2+]1 ZINC000843058321 680985000 /nfs/dbraw/zinc/98/50/00/680985000.db2.gz RQAVQZRAFVVKCN-IUODEOHRSA-N 0 3 369.868 2.265 20 10 FECDHN Cc1cc(N(C)C)ccc1CNC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000843417324 681002999 /nfs/dbraw/zinc/00/29/99/681002999.db2.gz AYKSSJQSDDPXTC-QGZVFWFLSA-N 0 3 360.479 2.386 20 10 FECDHN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](N)CC(F)F)cc1 ZINC000843488249 681006558 /nfs/dbraw/zinc/00/65/58/681006558.db2.gz VIALWRMKYWHAMQ-HOTGVXAUSA-N 0 3 355.429 2.243 20 10 FECDHN COc1cc(Br)cc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1O ZINC000793590705 682897497 /nfs/dbraw/zinc/89/74/97/682897497.db2.gz ODFSARBCVRTRMR-VXGBXAGGSA-N 0 3 373.291 2.050 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2COCCN2C)c1[O-] ZINC000858522897 682976450 /nfs/dbraw/zinc/97/64/50/682976450.db2.gz KYSUHZGLZGDLIR-PWSUYJOCSA-N 0 3 359.264 2.145 20 10 FECDHN CS(=O)(=O)C[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000927026844 683199779 /nfs/dbraw/zinc/19/97/79/683199779.db2.gz RCPHOYCZRARBDL-FUHWJXTLSA-N 0 3 363.479 2.061 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@H](O)C23CCOCC3)c1[O-] ZINC000923017566 683820135 /nfs/dbraw/zinc/82/01/35/683820135.db2.gz BOTSKKVHQFHADB-KBPBESRZSA-N 0 3 372.259 2.183 20 10 FECDHN CN(C)c1ccc([C@H]([NH3+])C[N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1 ZINC000866757367 684146251 /nfs/dbraw/zinc/14/62/51/684146251.db2.gz RNKJPEUQPCUIEH-GFCCVEGCSA-N 0 3 359.398 2.262 20 10 FECDHN CCN1CCN(c2ccc(CN[C@@H]3CCC3(OC)OC)cc2F)CC1 ZINC000924995896 684514093 /nfs/dbraw/zinc/51/40/93/684514093.db2.gz KAKBUTMDXQBYFQ-GOSISDBHSA-N 0 3 351.466 2.209 20 10 FECDHN O[C@H](CNCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)C(F)(F)F ZINC000883368355 687615385 /nfs/dbraw/zinc/61/53/85/687615385.db2.gz OLQLCXGRWMXDFC-CQSZACIVSA-N 0 3 368.346 2.296 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1[O-] ZINC000886229165 688216694 /nfs/dbraw/zinc/21/66/94/688216694.db2.gz LXOKSUIOVNVTBM-OLZOCXBDSA-N 0 3 360.248 2.183 20 10 FECDHN CN1CCN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1(C)C ZINC000897662650 690059605 /nfs/dbraw/zinc/05/96/05/690059605.db2.gz BWQSYROHFAPUQC-UHFFFAOYSA-N 0 3 363.483 2.068 20 10 FECDHN CCN(C[C@H](C)OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105519 690305022 /nfs/dbraw/zinc/30/50/22/690305022.db2.gz XTFHJHPLYVNGRQ-YJBOKZPZSA-N 0 3 350.507 2.422 20 10 FECDHN CCOCCCNC(=S)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899723957 690413708 /nfs/dbraw/zinc/41/37/08/690413708.db2.gz HRRIRKWGNXEJAK-QGZVFWFLSA-N 0 3 352.548 2.246 20 10 FECDHN CCN1CCN([C@@H](C)CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000900686687 690548534 /nfs/dbraw/zinc/54/85/34/690548534.db2.gz ODFINKHTCZIKEA-LBPRGKRZSA-N 0 3 363.483 2.068 20 10 FECDHN CN1CCN(CCC[N@H+](C)Cc2ccc(Br)cc2[O-])CC1 ZINC000825916009 675674032 /nfs/dbraw/zinc/67/40/32/675674032.db2.gz GZHXPIFMSOYCPE-UHFFFAOYSA-N 0 3 356.308 2.224 20 10 FECDHN CN1CCN(CCC[N@@H+](C)Cc2ccc(Br)cc2[O-])CC1 ZINC000825916009 675674034 /nfs/dbraw/zinc/67/40/34/675674034.db2.gz GZHXPIFMSOYCPE-UHFFFAOYSA-N 0 3 356.308 2.224 20 10 FECDHN CN(Cc1ccc(N2CCCCC2)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075611471 542192401 /nfs/dbraw/zinc/19/24/01/542192401.db2.gz IVKOMOBBIUSJRD-IBGZPJMESA-N 0 3 373.457 2.275 20 10 FECDHN c1cc(N2CCOCC2)ccc1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093134095 542911193 /nfs/dbraw/zinc/91/11/93/542911193.db2.gz UMXLBTXESUBOKG-SFHVURJKSA-N 0 3 367.497 2.441 20 10 FECDHN CCOc1ccc(O)c(CN2CCC(N(CC)S(C)(=O)=O)CC2)c1 ZINC000093320799 542926497 /nfs/dbraw/zinc/92/64/97/542926497.db2.gz DQAQGNJUHFDCKC-UHFFFAOYSA-N 0 3 356.488 2.037 20 10 FECDHN CCn1cc(CNCCCN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000112095731 543430615 /nfs/dbraw/zinc/43/06/15/543430615.db2.gz KSZNNMPPZFSOSO-UHFFFAOYSA-N 0 3 357.502 2.214 20 10 FECDHN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCCN(C2CC2)CC1 ZINC000171711354 546220716 /nfs/dbraw/zinc/22/07/16/546220716.db2.gz SPOYBGWIUIOXKK-RUDMXATFSA-N 0 3 355.482 2.233 20 10 FECDHN C[C@@H](NCc1cccnc1-n1cncn1)c1ccc(N2CCOCC2)cc1 ZINC000178047859 546730112 /nfs/dbraw/zinc/73/01/12/546730112.db2.gz KEOZRGNKVAZPME-MRXNPFEDSA-N 0 3 364.453 2.350 20 10 FECDHN C[C@@H]1CN(CC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)C[C@@H](C)O1 ZINC000180741533 547170521 /nfs/dbraw/zinc/17/05/21/547170521.db2.gz ISBPJJFBDKOHOF-RKIWFNSJSA-N 0 3 374.481 2.459 20 10 FECDHN C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(F)ccc1[O-] ZINC000186159070 548092800 /nfs/dbraw/zinc/09/28/00/548092800.db2.gz DJYXXFSLHDNJKV-PWSUYJOCSA-N 0 3 359.444 2.078 20 10 FECDHN CCOc1cccc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000236949730 548790879 /nfs/dbraw/zinc/79/08/79/548790879.db2.gz CKXHOWILDKGXCB-UHFFFAOYSA-N 0 3 364.467 2.331 20 10 FECDHN NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)Cc3ccc(N)cc3)cc2)C1 ZINC000262630448 549833496 /nfs/dbraw/zinc/83/34/96/549833496.db2.gz DSLRKZWDLHGKSJ-KRWDZBQOSA-N 0 3 366.465 2.147 20 10 FECDHN COc1cc(O)c(CN[C@@H]2CCN(Cc3ccccc3)C2=O)cc1OC ZINC000271890372 550409398 /nfs/dbraw/zinc/40/93/98/550409398.db2.gz RVYKJWJJGVBRAI-MRXNPFEDSA-N 0 3 356.422 2.300 20 10 FECDHN COc1ccc(O)c(CNCc2ccc(OCC(=O)N(C)C)c(OC)c2)c1 ZINC000272062373 550420029 /nfs/dbraw/zinc/42/00/29/550420029.db2.gz SHFBAGNYLBOFEA-UHFFFAOYSA-N 0 3 374.437 2.166 20 10 FECDHN CCC[C@](C)(N)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000272476008 550451574 /nfs/dbraw/zinc/45/15/74/550451574.db2.gz QXYIAILZJPUYDG-IBGZPJMESA-N 0 3 350.482 2.101 20 10 FECDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000273484157 550500039 /nfs/dbraw/zinc/50/00/39/550500039.db2.gz RATPDDVKURAOBN-KRWDZBQOSA-N 0 3 374.529 2.395 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H]1CC(C)(C)OC1(C)C)cc2=O ZINC000274882490 550562390 /nfs/dbraw/zinc/56/23/90/550562390.db2.gz ZTCNRSMNOJHQQN-ZDUSSCGKSA-N 0 3 362.430 2.047 20 10 FECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c1 ZINC000284744124 551622463 /nfs/dbraw/zinc/62/24/63/551622463.db2.gz DUNTYXLHYOLQCL-OXQOHEQNSA-N 0 3 370.453 2.119 20 10 FECDHN CN1CCC(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000284802376 551637444 /nfs/dbraw/zinc/63/74/44/551637444.db2.gz LAUJOEIMAYVPRL-UHFFFAOYSA-N 0 3 373.497 2.264 20 10 FECDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286569081 551901057 /nfs/dbraw/zinc/90/10/57/551901057.db2.gz PNWSAZCRQZQITH-WUKSYQMZSA-N 0 3 357.498 2.066 20 10 FECDHN CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289262659 552290941 /nfs/dbraw/zinc/29/09/41/552290941.db2.gz FUPORVHAPVNIQN-PXNSSMCTSA-N 0 3 358.486 2.485 20 10 FECDHN CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000289262659 552290943 /nfs/dbraw/zinc/29/09/43/552290943.db2.gz FUPORVHAPVNIQN-PXNSSMCTSA-N 0 3 358.486 2.485 20 10 FECDHN CCOc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(O)c2)c1[O-] ZINC000289508407 552332922 /nfs/dbraw/zinc/33/29/22/552332922.db2.gz UJSTYAANEFGTNB-OAHLLOKOSA-N 0 3 361.438 2.446 20 10 FECDHN CCCOc1ccc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000295170318 552966042 /nfs/dbraw/zinc/96/60/42/552966042.db2.gz UFAKDQWAJUKXQJ-HNNXBMFYSA-N 0 3 368.474 2.498 20 10 FECDHN CCCOc1ccc(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c([O-])c1 ZINC000295170318 552966044 /nfs/dbraw/zinc/96/60/44/552966044.db2.gz UFAKDQWAJUKXQJ-HNNXBMFYSA-N 0 3 368.474 2.498 20 10 FECDHN COC1CCN(c2ccc(CN(C)[C@H]3CCN4CCO[C@H]3C4)cc2)CC1 ZINC000295330091 552988677 /nfs/dbraw/zinc/98/86/77/552988677.db2.gz HHGDJXRISMPNAB-SFTDATJTSA-N 0 3 359.514 2.207 20 10 FECDHN COc1ccc([O-])c(C[NH2+]CCC(=O)N2CCOc3ccccc3C2)c1 ZINC000362043472 554945953 /nfs/dbraw/zinc/94/59/53/554945953.db2.gz XHTJTTMETGGFHW-UHFFFAOYSA-N 0 3 356.422 2.302 20 10 FECDHN Cc1cc([O-])c(C[N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)cc1C ZINC000363484870 555117656 /nfs/dbraw/zinc/11/76/56/555117656.db2.gz GFVQRIFZEQFLDI-UHFFFAOYSA-N 0 3 354.454 2.215 20 10 FECDHN Cc1cc([O-])c(C[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)cc1C ZINC000363484870 555117658 /nfs/dbraw/zinc/11/76/58/555117658.db2.gz GFVQRIFZEQFLDI-UHFFFAOYSA-N 0 3 354.454 2.215 20 10 FECDHN O=C(CN1CC[C@@H](C2CC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000363488877 555118721 /nfs/dbraw/zinc/11/87/21/555118721.db2.gz JLAQQUCLWSLRIW-QGZVFWFLSA-N 0 3 361.461 2.010 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c1[O-] ZINC000369083890 556500382 /nfs/dbraw/zinc/50/03/82/556500382.db2.gz KRAMUHTULWMBDQ-AWEZNQCLSA-N 0 3 371.275 2.116 20 10 FECDHN c1cnc(OC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)cn1 ZINC000369671264 556664760 /nfs/dbraw/zinc/66/47/60/556664760.db2.gz SHMSCNRKSIFZFV-UHFFFAOYSA-N 0 3 354.454 2.357 20 10 FECDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000371335586 557150902 /nfs/dbraw/zinc/15/09/02/557150902.db2.gz KWUHOICOUKARSO-JOCHJYFZSA-N 0 3 372.557 2.124 20 10 FECDHN CCOc1ccc(O)c(CN2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c1 ZINC000372039829 557364498 /nfs/dbraw/zinc/36/44/98/557364498.db2.gz VZQABUKCWNBGGP-AWEZNQCLSA-N 0 3 360.414 2.006 20 10 FECDHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000373587388 557724281 /nfs/dbraw/zinc/72/42/81/557724281.db2.gz WUECLYWNKRUJDK-OALUTQOASA-N 0 3 362.470 2.066 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC3(CCOCC3)[C@H]1C)cc2=O ZINC000375235415 557996521 /nfs/dbraw/zinc/99/65/21/557996521.db2.gz BAAVEWWNNCSDRS-CYBMUJFWSA-N 0 3 374.441 2.003 20 10 FECDHN COc1ccc(N2CCC(N(C)C[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000375363237 558015671 /nfs/dbraw/zinc/01/56/71/558015671.db2.gz RWVUNBREEMCTLD-INIZCTEOSA-N 0 3 366.527 2.421 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](N(C)Cc3nccc(N)n3)C2)c([O-])c1 ZINC000375978396 558108743 /nfs/dbraw/zinc/10/87/43/558108743.db2.gz YUUPEIKGOCPHMR-MRXNPFEDSA-N 0 3 371.485 2.260 20 10 FECDHN CCCOc1ccc(C[N@H+]2CC[C@@H](N(C)Cc3nccc(N)n3)C2)c([O-])c1 ZINC000375978396 558108744 /nfs/dbraw/zinc/10/87/44/558108744.db2.gz YUUPEIKGOCPHMR-MRXNPFEDSA-N 0 3 371.485 2.260 20 10 FECDHN O=C1CO[C@H]2CCN(Cc3ccc(OCc4ccccc4)cc3O)C[C@H]2N1 ZINC000377228054 558293864 /nfs/dbraw/zinc/29/38/64/558293864.db2.gz YYVGLCLXIFGVLP-QUCCMNQESA-N 0 3 368.433 2.061 20 10 FECDHN CCOc1cccc(CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1O ZINC000377705401 558401977 /nfs/dbraw/zinc/40/19/77/558401977.db2.gz SHUFQNTWMWRRLL-UHFFFAOYSA-N 0 3 371.437 2.328 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2Cc2cncnc2)c1 ZINC000377714665 558404021 /nfs/dbraw/zinc/40/40/21/558404021.db2.gz BTLFJFMIPIQZCM-KBMXLJTQSA-N 0 3 360.433 2.454 20 10 FECDHN COc1cc(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(O)cc1C ZINC000808227136 674447764 /nfs/dbraw/zinc/44/77/64/674447764.db2.gz UHOVGUKBOACHJJ-AWEZNQCLSA-N 0 3 368.499 2.003 20 10 FECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCN(S(C)(=O)=O)CC3)c2c1 ZINC000027087583 670076754 /nfs/dbraw/zinc/07/67/54/670076754.db2.gz XNBQRUINXSZSTL-UHFFFAOYSA-N 0 3 364.467 2.021 20 10 FECDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCN(S(C)(=O)=O)CC3)c2c1 ZINC000027087583 670076758 /nfs/dbraw/zinc/07/67/58/670076758.db2.gz XNBQRUINXSZSTL-UHFFFAOYSA-N 0 3 364.467 2.021 20 10 FECDHN COc1ccc2ccc(O)c(CN3CCCN(S(C)(=O)=O)CC3)c2c1 ZINC000027087583 670076764 /nfs/dbraw/zinc/07/67/64/670076764.db2.gz XNBQRUINXSZSTL-UHFFFAOYSA-N 0 3 364.467 2.021 20 10 FECDHN CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000092303775 670737356 /nfs/dbraw/zinc/73/73/56/670737356.db2.gz KJZOPEKGKRORHS-OAHLLOKOSA-N 0 3 364.467 2.068 20 10 FECDHN CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000092303775 670737358 /nfs/dbraw/zinc/73/73/58/670737358.db2.gz KJZOPEKGKRORHS-OAHLLOKOSA-N 0 3 364.467 2.068 20 10 FECDHN O=S(=O)(NCCNCc1ccc2c(c1)CCO2)c1ccc(Cl)s1 ZINC000127803331 672041781 /nfs/dbraw/zinc/04/17/81/672041781.db2.gz NVDPWEZBODEXHE-UHFFFAOYSA-N 0 3 372.899 2.405 20 10 FECDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3CSC)CC2)cc1 ZINC000135425498 672133366 /nfs/dbraw/zinc/13/33/66/672133366.db2.gz LVCRIHXPTKVTPM-QGZVFWFLSA-N 0 3 363.527 2.171 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@H]2CCOC[C@H]2OC)c1[O-] ZINC000824708954 675617357 /nfs/dbraw/zinc/61/73/57/675617357.db2.gz LOOGCLAVQGDDLO-QMTHXVAHSA-N 0 3 360.248 2.304 20 10 FECDHN CCN(Cc1cc(Br)ccc1O)C(=O)C(N)C(F)(F)F ZINC000830797420 677061151 /nfs/dbraw/zinc/06/11/51/677061151.db2.gz KEVGWGVHLQKWPF-JTQLQIEISA-N 0 3 355.154 2.393 20 10 FECDHN CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000759172829 680632980 /nfs/dbraw/zinc/63/29/80/680632980.db2.gz IYEMJBCPWNYEFM-OCCSQVGLSA-N 0 3 360.248 2.447 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000848529468 681572761 /nfs/dbraw/zinc/57/27/61/681572761.db2.gz NWXDCUISQOHSPD-TVQRCGJNSA-N 0 3 370.247 2.281 20 10 FECDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c1[O-] ZINC000848535210 681573393 /nfs/dbraw/zinc/57/33/93/681573393.db2.gz BMCDMGPMYQQERV-DTWKUNHWSA-N 0 3 366.277 2.247 20 10 FECDHN COc1cc(Br)cc([C@H](C)[NH2+]CC[C@]2(O)CCOC2)c1[O-] ZINC000848555161 681577471 /nfs/dbraw/zinc/57/74/71/681577471.db2.gz MEPLSLRKKSKJMT-BONVTDFDSA-N 0 3 360.248 2.355 20 10 FECDHN COc1ccc(N2CC[C@H](NC(=O)c3cc4c(s3)CCNC4)C2)cc1 ZINC000852844146 682349367 /nfs/dbraw/zinc/34/93/67/682349367.db2.gz RAEPMNMOQLVJKD-AWEZNQCLSA-N 0 3 357.479 2.411 20 10 FECDHN O=S1(=O)CCCN1[C@H]1CCCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000788389973 682527511 /nfs/dbraw/zinc/52/75/11/682527511.db2.gz XYLRIHDPQABUJY-SFHVURJKSA-N 0 3 364.511 2.271 20 10 FECDHN CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000863294209 683699354 /nfs/dbraw/zinc/69/93/54/683699354.db2.gz STVBURBVOUZXLM-HNNXBMFYSA-N 0 3 352.431 2.165 20 10 FECDHN CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000863294209 683699356 /nfs/dbraw/zinc/69/93/56/683699356.db2.gz STVBURBVOUZXLM-HNNXBMFYSA-N 0 3 352.431 2.165 20 10 FECDHN COc1c([O-])c(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645088 683756401 /nfs/dbraw/zinc/75/64/01/683756401.db2.gz AXANTGZNGTUDNC-QWRGUYRKSA-N 0 3 363.336 2.268 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CCOC2CCOCC2)c1[O-] ZINC000922933835 683806852 /nfs/dbraw/zinc/80/68/52/683806852.db2.gz PBBXYNZPGCJXPT-UHFFFAOYSA-N 0 3 360.248 2.449 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](O)C23CCOCC3)c1[O-] ZINC000923017569 683820022 /nfs/dbraw/zinc/82/00/22/683820022.db2.gz BOTSKKVHQFHADB-KGLIPLIRSA-N 0 3 372.259 2.183 20 10 FECDHN O=C1N[C@H](CN2CCCCC2)C(=O)N1CCCSc1nccs1 ZINC000924642360 684476754 /nfs/dbraw/zinc/47/67/54/684476754.db2.gz ZNXMOLAUWOOTBP-GFCCVEGCSA-N 0 3 354.501 2.032 20 10 FECDHN CN1CCN(C2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)CC1 ZINC000877747629 686448721 /nfs/dbraw/zinc/44/87/21/686448721.db2.gz VJJGFAIFURWTDO-UHFFFAOYSA-N 0 3 368.865 2.166 20 10 FECDHN COC(=O)[C@@H]1[C@@H](CN(Cc2ccccc2O)C[C@H]2CCCO2)C1(F)F ZINC000893879794 689422345 /nfs/dbraw/zinc/42/23/45/689422345.db2.gz JKGFMNOHPDZXPP-FMKPAKJESA-N 0 3 355.381 2.428 20 10 FECDHN COc1ccc(CNCc2cccc(S(C)(=O)=O)c2)c(O)c1OC ZINC000894715465 689582120 /nfs/dbraw/zinc/58/21/20/689582120.db2.gz MMEUNJNJXIDWGP-UHFFFAOYSA-N 0 3 351.424 2.103 20 10 FECDHN COc1cccc(O)c1CN1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000897274421 689998959 /nfs/dbraw/zinc/99/89/59/689998959.db2.gz KMOZCMVTOYBFEC-UHFFFAOYSA-N 0 3 368.499 2.181 20 10 FECDHN CN(C)c1ccc([C@@H](CN2C(=O)N[C@](C)(CCF)C2=O)N(C)C)cc1 ZINC000900184958 690481077 /nfs/dbraw/zinc/48/10/77/690481077.db2.gz IDAXHKPIPDEGBL-CRAIPNDOSA-N 0 3 350.438 2.025 20 10 FECDHN C[C@H]1CCCN(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000054787084 540610133 /nfs/dbraw/zinc/61/01/33/540610133.db2.gz XPJSGUCPSVFVLG-KRWDZBQOSA-N 0 3 360.502 2.054 20 10 FECDHN C[C@H](NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc(N2CCOCC2)cc1 ZINC000090916986 542789420 /nfs/dbraw/zinc/78/94/20/542789420.db2.gz IGOZPSNINZDUFR-IOMROCGXSA-N 0 3 359.514 2.427 20 10 FECDHN CN1CCN(C(=O)CC2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000093142553 542912929 /nfs/dbraw/zinc/91/29/29/542912929.db2.gz IRACXFBNXZJIEH-UHFFFAOYSA-N 0 3 365.905 2.422 20 10 FECDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000093613641 542935745 /nfs/dbraw/zinc/93/57/45/542935745.db2.gz LYNHQVCQFKCGGR-VQTJNVASSA-N 0 3 360.498 2.275 20 10 FECDHN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000093663790 542937484 /nfs/dbraw/zinc/93/74/84/542937484.db2.gz QKDXXKVRVJDFFW-CYBMUJFWSA-N 0 3 355.276 2.309 20 10 FECDHN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000093663790 542937487 /nfs/dbraw/zinc/93/74/87/542937487.db2.gz QKDXXKVRVJDFFW-CYBMUJFWSA-N 0 3 355.276 2.309 20 10 FECDHN CCN(CC)c1ccc(CNC(=O)CCN2CCN(CC)CC2)cc1F ZINC000109022421 543311045 /nfs/dbraw/zinc/31/10/45/543311045.db2.gz RJZWRRSYNMDELC-UHFFFAOYSA-N 0 3 364.509 2.316 20 10 FECDHN CC(C)[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000165487926 546153418 /nfs/dbraw/zinc/15/34/18/546153418.db2.gz NMXDDVCYUWAPER-HNNXBMFYSA-N 0 3 359.392 2.142 20 10 FECDHN COc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)ccc1OCC(N)=O ZINC000178028208 546725284 /nfs/dbraw/zinc/72/52/84/546725284.db2.gz OPNDDVLVSXXMAD-AWEZNQCLSA-N 0 3 357.454 2.476 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c1 ZINC000184980894 547911188 /nfs/dbraw/zinc/91/11/88/547911188.db2.gz FRNAQHGUMJQJOO-MRXNPFEDSA-N 0 3 371.485 2.054 20 10 FECDHN COc1ccc(N2CCN(CCCN[C@@H](C)c3ccnn3C)CC2)cc1 ZINC000192619176 548367061 /nfs/dbraw/zinc/36/70/61/548367061.db2.gz DGODRJXIYPWDRZ-KRWDZBQOSA-N 0 3 357.502 2.292 20 10 FECDHN Nc1ccc(CC(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000262654499 549835556 /nfs/dbraw/zinc/83/55/56/549835556.db2.gz BYXVWFRDBIIOIF-UHFFFAOYSA-N 0 3 353.466 2.084 20 10 FECDHN Nc1ccc(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000269242674 550171810 /nfs/dbraw/zinc/17/18/10/550171810.db2.gz BYLDHSHPWUNKCT-UHFFFAOYSA-N 0 3 366.509 2.135 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000271855319 550406257 /nfs/dbraw/zinc/40/62/57/550406257.db2.gz SDIOZJVDOUFDHX-STQMWFEESA-N 0 3 361.394 2.220 20 10 FECDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c([O-])c1 ZINC000271989453 550414936 /nfs/dbraw/zinc/41/49/36/550414936.db2.gz KZCBYROVYQHRAP-MAUKXSAKSA-N 0 3 369.483 2.007 20 10 FECDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273585286 550504325 /nfs/dbraw/zinc/50/43/25/550504325.db2.gz NSOZJSHHMIXVSJ-JKSUJKDBSA-N 0 3 363.502 2.103 20 10 FECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000282326313 551212173 /nfs/dbraw/zinc/21/21/73/551212173.db2.gz ALFCGLQHSZKNLS-WBVHZDCISA-N 0 3 361.486 2.107 20 10 FECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000282326313 551212175 /nfs/dbraw/zinc/21/21/75/551212175.db2.gz ALFCGLQHSZKNLS-WBVHZDCISA-N 0 3 361.486 2.107 20 10 FECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000282326302 551212252 /nfs/dbraw/zinc/21/22/52/551212252.db2.gz ALFCGLQHSZKNLS-NVXWUHKLSA-N 0 3 361.486 2.107 20 10 FECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000282326302 551212254 /nfs/dbraw/zinc/21/22/54/551212254.db2.gz ALFCGLQHSZKNLS-NVXWUHKLSA-N 0 3 361.486 2.107 20 10 FECDHN CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000282573350 551247869 /nfs/dbraw/zinc/24/78/69/551247869.db2.gz ZWBZMWUMOPERJZ-HNNXBMFYSA-N 0 3 361.486 2.120 20 10 FECDHN CCN1CCN(c2ccc(CN[C@H](C)C(C)(C)n3cncn3)cc2F)CC1 ZINC000283856861 551439089 /nfs/dbraw/zinc/43/90/89/551439089.db2.gz BKLFDHIMTVFHAJ-MRXNPFEDSA-N 0 3 374.508 2.473 20 10 FECDHN CCCOc1ccc(C[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c([O-])c1 ZINC000284586985 551583601 /nfs/dbraw/zinc/58/36/01/551583601.db2.gz PWFRWAMIOHKMTG-PKOBYXMFSA-N 0 3 362.470 2.283 20 10 FECDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(O)c2)c1 ZINC000289466041 552326304 /nfs/dbraw/zinc/32/63/04/552326304.db2.gz OVUDGZWTAGYTEV-HNNXBMFYSA-N 0 3 361.438 2.446 20 10 FECDHN CCOc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(O)c2)c1[O-] ZINC000289508405 552332785 /nfs/dbraw/zinc/33/27/85/552332785.db2.gz UJSTYAANEFGTNB-HNNXBMFYSA-N 0 3 361.438 2.446 20 10 FECDHN COC[C@@]1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)OCCc2ccccc21 ZINC000289773714 552376258 /nfs/dbraw/zinc/37/62/58/552376258.db2.gz IYVVQWNMPMDIFG-HXUWFJFHSA-N 0 3 357.406 2.325 20 10 FECDHN O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000290055416 552420790 /nfs/dbraw/zinc/42/07/90/552420790.db2.gz GUOXRCQCYYPIIG-CQSZACIVSA-N 0 3 352.481 2.397 20 10 FECDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c([O-])c1 ZINC000293862008 552863341 /nfs/dbraw/zinc/86/33/41/552863341.db2.gz UPAAWVJJHAWPGF-AWEZNQCLSA-N 0 3 355.438 2.075 20 10 FECDHN COC1CCN(c2ccc(CN3CC[C@@H](N4CCCC4=O)C3)cc2)CC1 ZINC000296331708 553142628 /nfs/dbraw/zinc/14/26/28/553142628.db2.gz PITORTPBOLHVPI-LJQANCHMSA-N 0 3 357.498 2.499 20 10 FECDHN C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN(C2CC2)C1 ZINC000296706367 553200884 /nfs/dbraw/zinc/20/08/84/553200884.db2.gz LKXLLHIRJXQQPI-KRWDZBQOSA-N 0 3 358.530 2.127 20 10 FECDHN CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297018933 553242921 /nfs/dbraw/zinc/24/29/21/553242921.db2.gz UHKWICFXALNFKZ-MRXNPFEDSA-N 0 3 352.500 2.419 20 10 FECDHN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000298554458 553439632 /nfs/dbraw/zinc/43/96/32/553439632.db2.gz CRNKDNKPOQVVBZ-NRFANRHFSA-N 0 3 373.497 2.075 20 10 FECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000325950050 553778667 /nfs/dbraw/zinc/77/86/67/553778667.db2.gz DEKVIQAXMJHDII-AWEZNQCLSA-N 0 3 351.834 2.410 20 10 FECDHN COc1cc([O-])c(C[N@H+](C)C2CCN(c3ncccn3)CC2)cc1OC ZINC000361047803 554901969 /nfs/dbraw/zinc/90/19/69/554901969.db2.gz FLPJXWPZQBGYJY-UHFFFAOYSA-N 0 3 358.442 2.300 20 10 FECDHN COc1cc([O-])c(C[N@@H+](C)C2CCN(c3ncccn3)CC2)cc1OC ZINC000361047803 554901971 /nfs/dbraw/zinc/90/19/71/554901971.db2.gz FLPJXWPZQBGYJY-UHFFFAOYSA-N 0 3 358.442 2.300 20 10 FECDHN O=C(Nc1cccnc1)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000362337837 554965169 /nfs/dbraw/zinc/96/51/69/554965169.db2.gz YXUNDFGICWFROJ-UHFFFAOYSA-N 0 3 355.394 2.367 20 10 FECDHN O=C(CN1CCC[C@@H]1C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000363384124 555091046 /nfs/dbraw/zinc/09/10/46/555091046.db2.gz GIKRSVTVGRUTLV-GOSISDBHSA-N 0 3 361.461 2.153 20 10 FECDHN O=C(CCn1ccnc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000363730870 555173623 /nfs/dbraw/zinc/17/36/23/555173623.db2.gz ROMPNWKOTJKYON-MRXNPFEDSA-N 0 3 362.861 2.413 20 10 FECDHN CN1C(=O)NC2(CCN(Cc3ccc(N4CCCCC4)cc3)CC2)C1=O ZINC000367731355 556125841 /nfs/dbraw/zinc/12/58/41/556125841.db2.gz YGQUCHSVSZUCGG-UHFFFAOYSA-N 0 3 356.470 2.193 20 10 FECDHN COc1ccc(O)c([C@@H](C)N2CCC[C@@H]2C(=O)NCC2CCOCC2)c1 ZINC000368052290 556204558 /nfs/dbraw/zinc/20/45/58/556204558.db2.gz VCGVSSDOEYVKOF-RDTXWAMCSA-N 0 3 362.470 2.469 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c1[O-] ZINC000370261133 556823867 /nfs/dbraw/zinc/82/38/67/556823867.db2.gz LMWGPVSSVRDQFP-DOMZBBRYSA-N 0 3 369.259 2.310 20 10 FECDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000371554478 557220640 /nfs/dbraw/zinc/22/06/40/557220640.db2.gz QFLVPZFAXZXFEI-NKVQNLSVSA-N 0 3 355.482 2.089 20 10 FECDHN CN(C)c1ccc(C2=CCN(CCCN3C(=O)NC(C)(C)C3=O)C2)cc1 ZINC000372807750 557566264 /nfs/dbraw/zinc/56/62/64/557566264.db2.gz ZMUHNHNEQFOHFM-UHFFFAOYSA-N 0 3 356.470 2.172 20 10 FECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000373254659 557659390 /nfs/dbraw/zinc/65/93/90/557659390.db2.gz FXYMPQJWBMJFFR-KBPBESRZSA-N 0 3 355.438 2.429 20 10 FECDHN C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000376162782 558135263 /nfs/dbraw/zinc/13/52/63/558135263.db2.gz OOFQRDMRVMTPDX-JTWUUNPKSA-N 0 3 357.498 2.308 20 10 FECDHN Cc1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c(C)n1-c1ccccn1 ZINC000377513580 558354884 /nfs/dbraw/zinc/35/48/84/558354884.db2.gz UQBNRBCXFPCXRV-SJORKVTESA-N 0 3 354.454 2.082 20 10 FECDHN C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000764750474 680820196 /nfs/dbraw/zinc/82/01/96/680820196.db2.gz KMASAEJJMKHWLC-KGLIPLIRSA-N 0 3 372.918 2.262 20 10 FECDHN CCN(C1CCN(Cc2ccc(N(C)C)cc2C)CC1)S(C)(=O)=O ZINC000840918785 680853274 /nfs/dbraw/zinc/85/32/74/680853274.db2.gz YXEBFSJXUXVDCP-UHFFFAOYSA-N 0 3 353.532 2.307 20 10 FECDHN CN(C)c1ccc(/C=C\CNCCNS(=O)(=O)c2ccccc2)cc1 ZINC000835036690 680289000 /nfs/dbraw/zinc/28/90/00/680289000.db2.gz NBLGFZYTSPMVRG-SREVYHEPSA-N 0 3 359.495 2.334 20 10 FECDHN COCCS(=O)(=O)c1ccc(CNCc2cccc(OC)c2O)cc1 ZINC000758504139 680587509 /nfs/dbraw/zinc/58/75/09/680587509.db2.gz GXKJXNMRBJNILQ-UHFFFAOYSA-N 0 3 365.451 2.111 20 10 FECDHN Oc1cc2c(cc1CN1CCN(CCc3cccs3)CC1)[C@@H](O)CO2 ZINC000768443759 680947015 /nfs/dbraw/zinc/94/70/15/680947015.db2.gz UAGRKNLJDCOTSD-SFHVURJKSA-N 0 3 360.479 2.240 20 10 FECDHN CN(C)c1ccc([C@H]([NH3+])C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000842785601 680966369 /nfs/dbraw/zinc/96/63/69/680966369.db2.gz JAXZBCHYWLUNTP-GFCCVEGCSA-N 0 3 359.904 2.446 20 10 FECDHN COc1ccc(O)c(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000775644599 681320743 /nfs/dbraw/zinc/32/07/43/681320743.db2.gz QEODNFFDDVEYMW-GFCCVEGCSA-N 0 3 350.440 2.241 20 10 FECDHN CC1(C)CN(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591208 681400408 /nfs/dbraw/zinc/40/04/08/681400408.db2.gz RSRSLFFPHQDIFU-MRXNPFEDSA-N 0 3 365.905 2.468 20 10 FECDHN COc1cc(Br)cc(C[N@H+](CCO)C2CCOCC2)c1[O-] ZINC000783718948 682169479 /nfs/dbraw/zinc/16/94/79/682169479.db2.gz VOMSTESVHLFGQU-UHFFFAOYSA-N 0 3 360.248 2.137 20 10 FECDHN COc1cc(Br)cc(C[N@@H+](CCO)C2CCOCC2)c1[O-] ZINC000783718948 682169486 /nfs/dbraw/zinc/16/94/86/682169486.db2.gz VOMSTESVHLFGQU-UHFFFAOYSA-N 0 3 360.248 2.137 20 10 FECDHN [O-]c1cccc(Br)c1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000858194472 682943183 /nfs/dbraw/zinc/94/31/83/682943183.db2.gz GNEAJFOMAKJISY-ZDUSSCGKSA-N 0 3 355.276 2.498 20 10 FECDHN C[C@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000797070802 683220383 /nfs/dbraw/zinc/22/03/83/683220383.db2.gz SRRPKDXSRIMKGH-KBPBESRZSA-N 0 3 370.490 2.279 20 10 FECDHN CO[C@@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCS(=O)(=O)C1 ZINC000922613998 683753802 /nfs/dbraw/zinc/75/38/02/683753802.db2.gz ANQOPOSVPAZIJH-LJQANCHMSA-N 0 3 361.463 2.353 20 10 FECDHN CO[C@]1(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCOC1 ZINC000877034063 686315423 /nfs/dbraw/zinc/31/54/23/686315423.db2.gz XGIXADLEZJWRRD-AEFFLSMTSA-N 0 3 354.878 2.405 20 10 FECDHN CN(C)c1ccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N(C)C)cc1 ZINC000891247391 689039634 /nfs/dbraw/zinc/03/96/34/689039634.db2.gz JTPZOMFNVXEDES-INIZCTEOSA-N 0 3 350.463 2.307 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N(C)C)cc1 ZINC000891247392 689039721 /nfs/dbraw/zinc/03/97/21/689039721.db2.gz JTPZOMFNVXEDES-MRXNPFEDSA-N 0 3 350.463 2.307 20 10 FECDHN C[C@@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C[C@H](C)O ZINC000899102505 690304451 /nfs/dbraw/zinc/30/44/51/690304451.db2.gz QBAQPYKKMGUVEO-VKJFTORMSA-N 0 3 350.507 2.062 20 10 FECDHN CCN1CCN(CCNC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000075860801 542210617 /nfs/dbraw/zinc/21/06/17/542210617.db2.gz XSGUJXJNXJKLJT-UHFFFAOYSA-N 0 3 354.498 2.461 20 10 FECDHN CN1C(=O)C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@@H]1c1ccc(F)cc1 ZINC000120100180 543675290 /nfs/dbraw/zinc/67/52/90/543675290.db2.gz PDGWMAVGDHXZSJ-KUHUBIRLSA-N 0 3 358.369 2.322 20 10 FECDHN CN1C(=O)C[C@@H](NCc2cc3c(cc2O)OCO3)[C@@H]1c1ccc(F)cc1 ZINC000120100180 543675291 /nfs/dbraw/zinc/67/52/91/543675291.db2.gz PDGWMAVGDHXZSJ-KUHUBIRLSA-N 0 3 358.369 2.322 20 10 FECDHN CN(C)c1ccc(CNC(=O)CN2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC000123814085 543784867 /nfs/dbraw/zinc/78/48/67/543784867.db2.gz YVJGRYHPZGDSJC-GOSISDBHSA-N 0 3 369.513 2.057 20 10 FECDHN CN(C)C(=O)CN1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000129349547 544107030 /nfs/dbraw/zinc/10/70/30/544107030.db2.gz CSAHCILWPWLCHI-UHFFFAOYSA-N 0 3 358.530 2.273 20 10 FECDHN CN(C)CCOc1cc(CNC(=O)N(C)Cc2ccccc2O)ccn1 ZINC000153689542 544809587 /nfs/dbraw/zinc/80/95/87/544809587.db2.gz HLOSJMGBMRUSDN-UHFFFAOYSA-N 0 3 358.442 2.069 20 10 FECDHN CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H](N3CCN(C)CC3)C2)c1[O-] ZINC000182894671 547567731 /nfs/dbraw/zinc/56/77/31/547567731.db2.gz PGMNWRRVHLAALR-SFHVURJKSA-N 0 3 363.477 2.336 20 10 FECDHN CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)c1[O-] ZINC000182894671 547567734 /nfs/dbraw/zinc/56/77/34/547567734.db2.gz PGMNWRRVHLAALR-SFHVURJKSA-N 0 3 363.477 2.336 20 10 FECDHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000183045799 547591403 /nfs/dbraw/zinc/59/14/03/547591403.db2.gz AHBZCQITCYTDRW-CHWSQXEVSA-N 0 3 362.442 2.280 20 10 FECDHN C[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1[O-])N1CCN(C)CC1 ZINC000185363767 547975826 /nfs/dbraw/zinc/97/58/26/547975826.db2.gz SWUMTGPEZXIUPE-CHWSQXEVSA-N 0 3 356.308 2.441 20 10 FECDHN CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000263799133 549938493 /nfs/dbraw/zinc/93/84/93/549938493.db2.gz LMPFRLRZVFGMKH-LBPRGKRZSA-N 0 3 350.415 2.468 20 10 FECDHN CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000263799133 549938496 /nfs/dbraw/zinc/93/84/96/549938496.db2.gz LMPFRLRZVFGMKH-LBPRGKRZSA-N 0 3 350.415 2.468 20 10 FECDHN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000263799133 549938498 /nfs/dbraw/zinc/93/84/98/549938498.db2.gz LMPFRLRZVFGMKH-LBPRGKRZSA-N 0 3 350.415 2.468 20 10 FECDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000268165395 550036995 /nfs/dbraw/zinc/03/69/95/550036995.db2.gz PMNWRBWZVQYLPU-OXQOHEQNSA-N 0 3 372.513 2.147 20 10 FECDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1[O-] ZINC000272456181 550449806 /nfs/dbraw/zinc/44/98/06/550449806.db2.gz XEXJLSQPEMCPBK-ZBFHGGJFSA-N 0 3 359.875 2.180 20 10 FECDHN C[C@H]1CN(CCCNC(=O)N(C)Cc2ccc(N(C)C)cc2)CCCO1 ZINC000277826443 550718481 /nfs/dbraw/zinc/71/84/81/550718481.db2.gz XIOCQPVMZSUOEK-KRWDZBQOSA-N 0 3 362.518 2.395 20 10 FECDHN C[C@H](N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000284546013 551574598 /nfs/dbraw/zinc/57/45/98/551574598.db2.gz XSQIGDRBRZSNFX-ZSZQSSIHSA-N 0 3 368.493 2.471 20 10 FECDHN COc1cc(O)c(CN2CCCC[C@H]2COC(=O)N(C)C)cc1OC ZINC000289529582 552336075 /nfs/dbraw/zinc/33/60/75/552336075.db2.gz HOLDAJGFTGXQCS-AWEZNQCLSA-N 0 3 352.431 2.462 20 10 FECDHN COc1cc([O-])c(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1OC ZINC000295118773 552960883 /nfs/dbraw/zinc/96/08/83/552960883.db2.gz MUUDUVRUACPLAO-LAQFHYBYSA-N 0 3 364.442 2.364 20 10 FECDHN O=C([C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000296548113 553177784 /nfs/dbraw/zinc/17/77/84/553177784.db2.gz SRVNDKITTQBRNX-RTBURBONSA-N 0 3 366.461 2.439 20 10 FECDHN CCC[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1[O-] ZINC000299612422 553588947 /nfs/dbraw/zinc/58/89/47/553588947.db2.gz HUMCVEUUMUSDCF-UHFFFAOYSA-N 0 3 364.467 2.331 20 10 FECDHN CCC[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1[O-] ZINC000299612422 553588949 /nfs/dbraw/zinc/58/89/49/553588949.db2.gz HUMCVEUUMUSDCF-UHFFFAOYSA-N 0 3 364.467 2.331 20 10 FECDHN O=C(CCn1ccnc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000363730868 555173575 /nfs/dbraw/zinc/17/35/75/555173575.db2.gz ROMPNWKOTJKYON-INIZCTEOSA-N 0 3 362.861 2.413 20 10 FECDHN Cc1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c(C)n1-c1ccccn1 ZINC000363735775 555175007 /nfs/dbraw/zinc/17/50/07/555175007.db2.gz WLHJPDRZSWGGDU-GOSISDBHSA-N 0 3 368.481 2.472 20 10 FECDHN COc1cc(O)c(CN2CCN(C3CCOCC3)C[C@H]2C)cc1OC ZINC000365830677 555677921 /nfs/dbraw/zinc/67/79/21/555677921.db2.gz KXZOEORUYSBLAC-CQSZACIVSA-N 0 3 350.459 2.095 20 10 FECDHN Cc1n[nH]c(C2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000365995716 555722011 /nfs/dbraw/zinc/72/20/11/555722011.db2.gz KESINKZKCILGFA-UHFFFAOYSA-N 0 3 370.501 2.017 20 10 FECDHN Cc1nnc(C2CCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)[nH]1 ZINC000365995716 555722013 /nfs/dbraw/zinc/72/20/13/555722013.db2.gz KESINKZKCILGFA-UHFFFAOYSA-N 0 3 370.501 2.017 20 10 FECDHN NC(=O)Cc1occc1C(=O)N1CCc2c1cccc2CN1CCCC1 ZINC000367605833 556095547 /nfs/dbraw/zinc/09/55/47/556095547.db2.gz HWHBKDSQNBSPNZ-UHFFFAOYSA-N 0 3 353.422 2.106 20 10 FECDHN COc1cc([O-])c(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1OC ZINC000368226060 556253198 /nfs/dbraw/zinc/25/31/98/556253198.db2.gz JUBIZRHYLXESJJ-MAUKXSAKSA-N 0 3 351.443 2.209 20 10 FECDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(N)=O)C2)c([O-])c1 ZINC000369035303 556483315 /nfs/dbraw/zinc/48/33/15/556483315.db2.gz LECIMOIHBGDXHI-CQSZACIVSA-N 0 3 358.442 2.383 20 10 FECDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C(N)=O)C2)c([O-])c1 ZINC000369035303 556483317 /nfs/dbraw/zinc/48/33/17/556483317.db2.gz LECIMOIHBGDXHI-CQSZACIVSA-N 0 3 358.442 2.383 20 10 FECDHN CCc1nc(CN2CCC[C@H]([N@H+](C)Cc3cccc(OC)c3[O-])C2)no1 ZINC000378343338 558534363 /nfs/dbraw/zinc/53/43/63/558534363.db2.gz SZJPFIRVFGFNRF-HNNXBMFYSA-N 0 3 360.458 2.443 20 10 FECDHN CCc1nc(CN2CCC[C@H]([N@@H+](C)Cc3cccc(OC)c3[O-])C2)no1 ZINC000378343338 558534365 /nfs/dbraw/zinc/53/43/65/558534365.db2.gz SZJPFIRVFGFNRF-HNNXBMFYSA-N 0 3 360.458 2.443 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000530238402 562403396 /nfs/dbraw/zinc/40/33/96/562403396.db2.gz NIRPHOMPWWPUSM-KRWDZBQOSA-N 0 3 350.434 2.324 20 10 FECDHN CC[C@@H](CSC)N(C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000091098518 670718970 /nfs/dbraw/zinc/71/89/70/670718970.db2.gz HRWNIUFMWKOXNJ-INIZCTEOSA-N 0 3 365.543 2.417 20 10 FECDHN O=C([N-]CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(F)(F)F ZINC000091619271 670729596 /nfs/dbraw/zinc/72/95/96/670729596.db2.gz HXGPRTPLDYCNIX-AWEZNQCLSA-N 0 3 360.376 2.442 20 10 FECDHN O=C([N-]CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(F)(F)F ZINC000091619271 670729598 /nfs/dbraw/zinc/72/95/98/670729598.db2.gz HXGPRTPLDYCNIX-AWEZNQCLSA-N 0 3 360.376 2.442 20 10 FECDHN COc1cc(Br)cc(CN2CCC[C@@H](CC(N)=O)C2)c1O ZINC000093808532 670755931 /nfs/dbraw/zinc/75/59/31/670755931.db2.gz IFRNOBAOYWXLLQ-JTQLQIEISA-N 0 3 357.248 2.251 20 10 FECDHN CCc1cc(CN2CC[C@@H](NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000116869942 670908811 /nfs/dbraw/zinc/90/88/11/670908811.db2.gz MVNPIMQPGSBFHI-OAHLLOKOSA-N 0 3 354.516 2.376 20 10 FECDHN CCN1CCN(CCC[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825421814 675652310 /nfs/dbraw/zinc/65/23/10/675652310.db2.gz HECNDYUTNMZSTG-UHFFFAOYSA-N 0 3 356.308 2.272 20 10 FECDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000763470621 680783784 /nfs/dbraw/zinc/78/37/84/680783784.db2.gz MZRXEPUKLXZMPZ-UHFFFAOYSA-N 0 3 362.451 2.231 20 10 FECDHN O=C(NC[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000843057554 680985011 /nfs/dbraw/zinc/98/50/11/680985011.db2.gz JYYILFANXVILJD-WBMJQRKESA-N 0 3 369.868 2.265 20 10 FECDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000774482601 681193908 /nfs/dbraw/zinc/19/39/08/681193908.db2.gz GZYYBBQVBQAARZ-GHMZBOCLSA-N 0 3 360.380 2.180 20 10 FECDHN CCS(=O)(=O)CCN[C@H](C)c1cc(Br)cc(OC)c1O ZINC000848524716 681571330 /nfs/dbraw/zinc/57/13/30/681571330.db2.gz LLSPJVZCQMUNHR-SECBINFHSA-N 0 3 366.277 2.249 20 10 FECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(OCCO)CCOC2)c1[O-] ZINC000850510986 681910594 /nfs/dbraw/zinc/91/05/94/681910594.db2.gz ZANMREMSZGYFLB-MLGOLLRUSA-N 0 3 374.275 2.282 20 10 FECDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c([O-])c1 ZINC000788594547 682541510 /nfs/dbraw/zinc/54/15/10/682541510.db2.gz WBBMCCJTZUYQBN-OAHLLOKOSA-N 0 3 354.516 2.169 20 10 FECDHN Cc1cc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793595506 682898411 /nfs/dbraw/zinc/89/84/11/682898411.db2.gz YAZCDYALNUSLDZ-OAHLLOKOSA-N 0 3 354.516 2.464 20 10 FECDHN Nc1c(Cl)cc(N2C(=O)N[C@@H](CN3CCCCC3)C2=O)cc1Cl ZINC000927217458 683221496 /nfs/dbraw/zinc/22/14/96/683221496.db2.gz WOESYLADKARQQO-LBPRGKRZSA-N 0 3 357.241 2.486 20 10 FECDHN CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000797605369 683261224 /nfs/dbraw/zinc/26/12/24/683261224.db2.gz QAOSFNJBUJUKLR-HNNXBMFYSA-N 0 3 357.248 2.121 20 10 FECDHN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000797605369 683261226 /nfs/dbraw/zinc/26/12/26/683261226.db2.gz QAOSFNJBUJUKLR-HNNXBMFYSA-N 0 3 357.248 2.121 20 10 FECDHN C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c([O-])cccc1Br ZINC000862335044 683573264 /nfs/dbraw/zinc/57/32/64/683573264.db2.gz XCPLBSRUIRITQR-LBPRGKRZSA-N 0 3 357.292 2.432 20 10 FECDHN C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1c([O-])cccc1Br ZINC000862335044 683573272 /nfs/dbraw/zinc/57/32/72/683573272.db2.gz XCPLBSRUIRITQR-LBPRGKRZSA-N 0 3 357.292 2.432 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)c2csc3cncn32)N(C)C)cc1 ZINC000891251869 689040008 /nfs/dbraw/zinc/04/00/08/689040008.db2.gz HTIFXBGCLDCQHX-OAHLLOKOSA-N 0 3 357.483 2.495 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)NCCCOC(F)F)N(C)C)cc1 ZINC000894658899 689574744 /nfs/dbraw/zinc/57/47/44/689574744.db2.gz PBURASKGPVPMKQ-OAHLLOKOSA-N 0 3 358.433 2.284 20 10 FECDHN CCN1CCN(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895714544 689759914 /nfs/dbraw/zinc/75/99/14/689759914.db2.gz FHISNWFMGDKGKZ-UHFFFAOYSA-N 0 3 363.483 2.070 20 10 FECDHN CCCCN(CCO)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101066 690304338 /nfs/dbraw/zinc/30/43/38/690304338.db2.gz HQPWUTOTXYAQMO-SFHVURJKSA-N 0 3 350.507 2.159 20 10 FECDHN COc1cccc([O-])c1C[NH2+][C@@H](C)CCNS(=O)(=O)c1ccccc1 ZINC000801734420 674146600 /nfs/dbraw/zinc/14/66/00/674146600.db2.gz BCYDAVHBNLBLAS-AWEZNQCLSA-N 0 3 364.467 2.248 20 10 FECDHN C[C@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(N2CCC(O)CC2)cc1 ZINC000089677712 542768502 /nfs/dbraw/zinc/76/85/02/542768502.db2.gz WWZBSYOLFAPUKQ-KKSFZXQISA-N 0 3 359.514 2.162 20 10 FECDHN CCOc1cccc(C[NH+]2CCC(C(=O)NCCCOC)CC2)c1[O-] ZINC000092361962 542859645 /nfs/dbraw/zinc/85/96/45/542859645.db2.gz ZMTLSMIXYRMPKG-UHFFFAOYSA-N 0 3 350.459 2.156 20 10 FECDHN OCCn1nccc1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092811203 542887739 /nfs/dbraw/zinc/88/77/39/542887739.db2.gz YARBONOTTSMZGW-UHFFFAOYSA-N 0 3 370.497 2.092 20 10 FECDHN CN1C(=O)C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)[C@H]1c1ccc(F)cc1 ZINC000120100345 543675491 /nfs/dbraw/zinc/67/54/91/543675491.db2.gz PDGWMAVGDHXZSJ-IFXJQAMLSA-N 0 3 358.369 2.322 20 10 FECDHN CN1C(=O)C[C@H](NCc2cc3c(cc2O)OCO3)[C@H]1c1ccc(F)cc1 ZINC000120100345 543675494 /nfs/dbraw/zinc/67/54/94/543675494.db2.gz PDGWMAVGDHXZSJ-IFXJQAMLSA-N 0 3 358.369 2.322 20 10 FECDHN Cc1cc(N2CCC[C@@H](NCc3ccc4c(c3)CCN4C)C2=O)n(C)n1 ZINC000178938837 546877123 /nfs/dbraw/zinc/87/71/23/546877123.db2.gz IVTMQLPZEZBBEC-QGZVFWFLSA-N 0 3 353.470 2.006 20 10 FECDHN Cc1cc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000184080668 547766872 /nfs/dbraw/zinc/76/68/72/547766872.db2.gz IDJMMWVWSCIJHM-INIZCTEOSA-N 0 3 369.513 2.245 20 10 FECDHN C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000186054638 548078834 /nfs/dbraw/zinc/07/88/34/548078834.db2.gz IRFCWFQVMVEIJK-FZKQIMNGSA-N 0 3 354.454 2.461 20 10 FECDHN O=S1(=O)CCC[C@H](N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000245980597 549031288 /nfs/dbraw/zinc/03/12/88/549031288.db2.gz BABHYQLWGOHDSF-KGLIPLIRSA-N 0 3 374.453 2.424 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@@H](C)CCSC)cc2=O ZINC000265515330 550010797 /nfs/dbraw/zinc/01/07/97/550010797.db2.gz QHQGQDDFAMDHNL-NSHDSACASA-N 0 3 352.460 2.185 20 10 FECDHN CN(C)c1ccc(CNC(=O)NC[C@]2(N(C)C)CCSC2)cc1F ZINC000267173350 550028326 /nfs/dbraw/zinc/02/83/26/550028326.db2.gz LLUNWKVCBOEVQJ-QGZVFWFLSA-N 0 3 354.495 2.128 20 10 FECDHN CC[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)N(C)C ZINC000268865098 550125636 /nfs/dbraw/zinc/12/56/36/550125636.db2.gz ZWPYGKGRVCTTRC-VBQJREDUSA-N 0 3 351.466 2.396 20 10 FECDHN COc1ccc(COC[C@H](O)C[N@H+](C)Cc2ccccc2[O-])cc1OC ZINC000269669461 550215750 /nfs/dbraw/zinc/21/57/50/550215750.db2.gz WQQYFBDFTWYRHE-QGZVFWFLSA-N 0 3 361.438 2.419 20 10 FECDHN COc1ccc(COC[C@H](O)C[N@@H+](C)Cc2ccccc2[O-])cc1OC ZINC000269669461 550215751 /nfs/dbraw/zinc/21/57/51/550215751.db2.gz WQQYFBDFTWYRHE-QGZVFWFLSA-N 0 3 361.438 2.419 20 10 FECDHN Cc1ccc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c([O-])c1O ZINC000272726750 550467275 /nfs/dbraw/zinc/46/72/75/550467275.db2.gz IXSJNLJJQXCQFD-UHFFFAOYSA-N 0 3 361.486 2.037 20 10 FECDHN COc1cc(N2CCN(CCCn3ccnc3C)CC2)cc(OC)c1OC ZINC000273592660 550504270 /nfs/dbraw/zinc/50/42/70/550504270.db2.gz JOMSBPPMICYHAV-UHFFFAOYSA-N 0 3 374.485 2.430 20 10 FECDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCN(C2CC2)CC1 ZINC000279754576 550925471 /nfs/dbraw/zinc/92/54/71/550925471.db2.gz QJFPNCQUYIVGRD-UHFFFAOYSA-N 0 3 357.498 2.356 20 10 FECDHN CON(C)C(=O)C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000291311681 552613383 /nfs/dbraw/zinc/61/33/83/552613383.db2.gz RQTVPFFZOGCJMR-UHFFFAOYSA-N 0 3 357.248 2.387 20 10 FECDHN COC1CCN(c2ccc(CN(C)[C@@H]3CCN4CCO[C@H]3C4)cc2)CC1 ZINC000295330085 552988728 /nfs/dbraw/zinc/98/87/28/552988728.db2.gz HHGDJXRISMPNAB-RTWAWAEBSA-N 0 3 359.514 2.207 20 10 FECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000325950051 553778670 /nfs/dbraw/zinc/77/86/70/553778670.db2.gz DEKVIQAXMJHDII-CQSZACIVSA-N 0 3 351.834 2.410 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1[O-] ZINC000361392592 554920905 /nfs/dbraw/zinc/92/09/05/554920905.db2.gz WWSRHSDOVGAFCZ-ZWKOPEQDSA-N 0 3 369.259 2.262 20 10 FECDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cnn(C)c2)cc1OC ZINC000368405413 556298263 /nfs/dbraw/zinc/29/82/63/556298263.db2.gz YPORTJJWGUCAFB-VLIAUNLRSA-N 0 3 374.485 2.316 20 10 FECDHN COc1cccc(C[NH2+][C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1[O-] ZINC000377625138 558380218 /nfs/dbraw/zinc/38/02/18/558380218.db2.gz QGTJTTYUWFRHGX-OAHLLOKOSA-N 0 3 358.442 2.415 20 10 FECDHN O=C([C@H]1CC12CCN(Cc1cc3c(cc1O)OCO3)CC2)N1CCCC1 ZINC000378417375 558552338 /nfs/dbraw/zinc/55/23/38/558552338.db2.gz VGWTXMOUROCZMP-OAHLLOKOSA-N 0 3 358.438 2.345 20 10 FECDHN CCC[NH+]1CCC(N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)CC1 ZINC000378559430 558582909 /nfs/dbraw/zinc/58/29/09/558582909.db2.gz KYBPAZRSNKFOOB-UHFFFAOYSA-N 0 3 361.486 2.038 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C[C@H](CO)c2cccnc2)c1[O-] ZINC000808431697 674458821 /nfs/dbraw/zinc/45/88/21/674458821.db2.gz XPCDQLHNGDCPQE-CYBMUJFWSA-N 0 3 367.243 2.424 20 10 FECDHN CCCS(=O)(=O)NC1CCN(Cc2cc(OC)c(C)cc2O)CC1 ZINC000159846889 672285840 /nfs/dbraw/zinc/28/58/40/672285840.db2.gz SFJASSADCIKDHF-UHFFFAOYSA-N 0 3 356.488 2.003 20 10 FECDHN O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000184958461 672514150 /nfs/dbraw/zinc/51/41/50/672514150.db2.gz QRBAGDCZZFEKMD-UHFFFAOYSA-N 0 3 350.415 2.361 20 10 FECDHN COc1ccc(N2CCN(C(=O)CN3CCSC[C@H](C)C3)CC2)cc1 ZINC000190412184 672640395 /nfs/dbraw/zinc/64/03/95/672640395.db2.gz LGZDDCMXQNCGIH-MRXNPFEDSA-N 0 3 363.527 2.029 20 10 FECDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)c1[O-] ZINC000818360757 675216160 /nfs/dbraw/zinc/21/61/60/675216160.db2.gz CFAPIJFMVPEPPQ-CABZTGNLSA-N 0 3 355.232 2.261 20 10 FECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824828176 675623945 /nfs/dbraw/zinc/62/39/45/675623945.db2.gz LUJXAVSJZPLHQJ-NEPJUHHUSA-N 0 3 358.360 2.243 20 10 FECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824828176 675623947 /nfs/dbraw/zinc/62/39/47/675623947.db2.gz LUJXAVSJZPLHQJ-NEPJUHHUSA-N 0 3 358.360 2.243 20 10 FECDHN COc1cc(Br)cc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827141603 675733361 /nfs/dbraw/zinc/73/33/61/675733361.db2.gz VCRANLKBZGMELJ-GWCFXTLKSA-N 0 3 369.259 2.264 20 10 FECDHN Cc1cc(N(C)C)ccc1CN(CCO)CCNC(=O)OC(C)(C)C ZINC000840938224 680855109 /nfs/dbraw/zinc/85/51/09/680855109.db2.gz LYRGNOAZFWSWPK-UHFFFAOYSA-N 0 3 351.491 2.380 20 10 FECDHN COc1cc(Br)cc(CN[C@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835073582 680293267 /nfs/dbraw/zinc/29/32/67/680293267.db2.gz NMIGKQSAMPDVDG-OLZOCXBDSA-N 0 3 369.259 2.406 20 10 FECDHN Cc1cncc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000768226738 680941363 /nfs/dbraw/zinc/94/13/63/680941363.db2.gz YUTLVEQQFVIXGN-INIZCTEOSA-N 0 3 359.495 2.476 20 10 FECDHN [NH3+]C[C@@H]1CN(Cc2cccc(Br)c2[O-])CC12CCOCC2 ZINC000843124435 680989020 /nfs/dbraw/zinc/98/90/20/680989020.db2.gz AUMQYBZPUFHSCB-CYBMUJFWSA-N 0 3 355.276 2.342 20 10 FECDHN COc1ccc(N(C)CCN(C)C(=S)NC2CCN(C)CC2)cc1 ZINC000844581026 681067061 /nfs/dbraw/zinc/06/70/61/681067061.db2.gz QXVFCHCMSYDURJ-UHFFFAOYSA-N 0 3 350.532 2.032 20 10 FECDHN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846147538 681189271 /nfs/dbraw/zinc/18/92/71/681189271.db2.gz VQFZLPATHUNJRK-LBPRGKRZSA-N 0 3 350.440 2.160 20 10 FECDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000784262884 682211171 /nfs/dbraw/zinc/21/11/71/682211171.db2.gz IZGFXZHKWAVDHI-LBPRGKRZSA-N 0 3 350.396 2.425 20 10 FECDHN C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000784262884 682211176 /nfs/dbraw/zinc/21/11/76/682211176.db2.gz IZGFXZHKWAVDHI-LBPRGKRZSA-N 0 3 350.396 2.425 20 10 FECDHN CCON(CC)C(=O)CNCc1cc(Br)cc(OC)c1O ZINC000858218983 682945893 /nfs/dbraw/zinc/94/58/93/682945893.db2.gz BMEDGIHNICQFMB-UHFFFAOYSA-N 0 3 361.236 2.053 20 10 FECDHN CCN1CCC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925289991 684547059 /nfs/dbraw/zinc/54/70/59/684547059.db2.gz AFRPUHABDJAXOT-AWEZNQCLSA-N 0 3 351.834 2.294 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c1[O-] ZINC000880208626 687015601 /nfs/dbraw/zinc/01/56/01/687015601.db2.gz UCNFBIXJKIABTH-KRWDZBQOSA-N 0 3 350.434 2.467 20 10 FECDHN [O-]c1c(Br)cc(Cl)cc1CNC[C@H](O)C[NH+]1CCCC1 ZINC000882916355 687526976 /nfs/dbraw/zinc/52/69/76/687526976.db2.gz NHYNQUZEBWAKSI-LBPRGKRZSA-N 0 3 363.683 2.354 20 10 FECDHN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000882916355 687526979 /nfs/dbraw/zinc/52/69/79/687526979.db2.gz NHYNQUZEBWAKSI-LBPRGKRZSA-N 0 3 363.683 2.354 20 10 FECDHN COCC[C@H](C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000895339332 689698955 /nfs/dbraw/zinc/69/89/55/689698955.db2.gz LWJZEAILKUXFCP-MAUKXSAKSA-N 0 3 350.507 2.327 20 10 FECDHN COC(=O)C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000896473033 689879491 /nfs/dbraw/zinc/87/94/91/689879491.db2.gz ZJPHRIXYTRRZKK-GDBMZVCRSA-N 0 3 350.434 2.293 20 10 FECDHN CCC[C@@H](CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899098516 690303344 /nfs/dbraw/zinc/30/33/44/690303344.db2.gz PFFPHYZCRUGOCU-WMZOPIPTSA-N 0 3 350.507 2.206 20 10 FECDHN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CNCC2(CCOCC2)C1 ZINC000903975232 690990621 /nfs/dbraw/zinc/99/06/21/690990621.db2.gz ZNVYNUFDGLMQFL-ZDUSSCGKSA-N 0 3 355.276 2.403 20 10 FECDHN [O-]c1c(Br)cccc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903975232 690990627 /nfs/dbraw/zinc/99/06/27/690990627.db2.gz ZNVYNUFDGLMQFL-ZDUSSCGKSA-N 0 3 355.276 2.403 20 10 FECDHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000090412159 542784522 /nfs/dbraw/zinc/78/45/22/542784522.db2.gz CMRPHCQMAJYGTA-HOCLYGCPSA-N 0 3 364.465 2.117 20 10 FECDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000247435521 549333549 /nfs/dbraw/zinc/33/35/49/549333549.db2.gz PAIFARKDSXDWPD-JMPQJKKYSA-N 0 3 357.498 2.335 20 10 FECDHN CCOc1ccc(O)c(CN2CCCN(CC(=O)N(CC)CC)CC2)c1 ZINC000129255019 544100480 /nfs/dbraw/zinc/10/04/80/544100480.db2.gz VFMGWPYOMURIEN-UHFFFAOYSA-N 0 3 363.502 2.167 20 10 FECDHN CCCOc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c([O-])c1 ZINC000162673903 546141377 /nfs/dbraw/zinc/14/13/77/546141377.db2.gz CJFJSGFTBNFJJA-UHFFFAOYSA-N 0 3 362.470 2.252 20 10 FECDHN CCN(CC)C(=O)C[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165194076 546152361 /nfs/dbraw/zinc/15/23/61/546152361.db2.gz BZUBBZKWOHETMR-OAHLLOKOSA-N 0 3 351.466 2.399 20 10 FECDHN COc1ccc([O-])c(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000184429986 547825099 /nfs/dbraw/zinc/82/50/99/547825099.db2.gz MSCPWRVMLLQJQD-UHFFFAOYSA-N 0 3 362.451 2.231 20 10 FECDHN COc1ccc(O)c(CNCc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000184429986 547825103 /nfs/dbraw/zinc/82/51/03/547825103.db2.gz MSCPWRVMLLQJQD-UHFFFAOYSA-N 0 3 362.451 2.231 20 10 FECDHN CC[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccccc1[O-] ZINC000185207836 547952028 /nfs/dbraw/zinc/95/20/28/547952028.db2.gz SSTBOYJXIUFVSP-SFHVURJKSA-N 0 3 355.486 2.435 20 10 FECDHN C[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(N(C)C)cc1 ZINC000189169186 548298041 /nfs/dbraw/zinc/29/80/41/548298041.db2.gz UHJUGDQXXWYOCH-OAHLLOKOSA-N 0 3 362.495 2.369 20 10 FECDHN CC(C)C[C@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269255126 550173022 /nfs/dbraw/zinc/17/30/22/550173022.db2.gz ROKRMVLUAAFBMP-VBQJREDUSA-N 0 3 351.466 2.429 20 10 FECDHN CO[C@@H](C)c1noc(CN2CCCN(Cc3cccc(C)c3O)CC2)n1 ZINC000271809875 550403299 /nfs/dbraw/zinc/40/32/99/550403299.db2.gz LZQUDJMOYRQUCN-HNNXBMFYSA-N 0 3 360.458 2.499 20 10 FECDHN CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3cccc(C)c3[O-])CC2)n1 ZINC000271809875 550403301 /nfs/dbraw/zinc/40/33/01/550403301.db2.gz LZQUDJMOYRQUCN-HNNXBMFYSA-N 0 3 360.458 2.499 20 10 FECDHN CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3cccc(C)c3[O-])CC2)n1 ZINC000271809875 550403304 /nfs/dbraw/zinc/40/33/04/550403304.db2.gz LZQUDJMOYRQUCN-HNNXBMFYSA-N 0 3 360.458 2.499 20 10 FECDHN CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c([O-])c1 ZINC000271989455 550414917 /nfs/dbraw/zinc/41/49/17/550414917.db2.gz KZCBYROVYQHRAP-QAPCUYQASA-N 0 3 369.483 2.007 20 10 FECDHN CSCC[C@@H](N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272326958 550437749 /nfs/dbraw/zinc/43/77/49/550437749.db2.gz MDPRPWUEQBDAOG-DVOMOZLQSA-N 0 3 369.506 2.136 20 10 FECDHN CCOc1ccc(O)c(CN2CCC(n3cc(C(=O)OC)nn3)CC2)c1 ZINC000273743016 550509858 /nfs/dbraw/zinc/50/98/58/550509858.db2.gz MFEVAJRPYJIDBG-UHFFFAOYSA-N 0 3 360.414 2.006 20 10 FECDHN COc1ccc(O)c([C@@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000276946826 550614067 /nfs/dbraw/zinc/61/40/67/550614067.db2.gz UTYWVHCYYJDDIU-CYBMUJFWSA-N 0 3 365.451 2.018 20 10 FECDHN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C12CCCN1CCC2 ZINC000283046737 551302973 /nfs/dbraw/zinc/30/29/73/551302973.db2.gz LUHGVLAEFITYOZ-UHFFFAOYSA-N 0 3 357.498 2.140 20 10 FECDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1CCN(CC)CC1 ZINC000283383150 551357548 /nfs/dbraw/zinc/35/75/48/551357548.db2.gz JCORIORRYCXIGX-UHFFFAOYSA-N 0 3 361.486 2.121 20 10 FECDHN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000283992199 551463552 /nfs/dbraw/zinc/46/35/52/551463552.db2.gz JPHDHOSODPNFSS-APWZRJJASA-N 0 3 374.529 2.090 20 10 FECDHN Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000294675424 552925670 /nfs/dbraw/zinc/92/56/70/552925670.db2.gz AVQBZGUTVTXTLG-GJZGRUSLSA-N 0 3 355.276 2.368 20 10 FECDHN Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1[O-] ZINC000294675424 552925671 /nfs/dbraw/zinc/92/56/71/552925671.db2.gz AVQBZGUTVTXTLG-GJZGRUSLSA-N 0 3 355.276 2.368 20 10 FECDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000296286067 553135092 /nfs/dbraw/zinc/13/50/92/553135092.db2.gz OXVBJDVNJFKHKP-SXLOBPIMSA-N 0 3 357.498 2.258 20 10 FECDHN C[C@@H](NC[C@]1(O)CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000296610319 553187469 /nfs/dbraw/zinc/18/74/69/553187469.db2.gz WGMXZELKTSSJHV-RDTXWAMCSA-N 0 3 370.490 2.016 20 10 FECDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000369585017 556638953 /nfs/dbraw/zinc/63/89/53/556638953.db2.gz IFURHOGKTAJOHR-UHFFFAOYSA-N 0 3 371.441 2.465 20 10 FECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)c1 ZINC000371224109 557111920 /nfs/dbraw/zinc/11/19/20/557111920.db2.gz VQZWKRWLBDWARO-HNNXBMFYSA-N 0 3 352.442 2.145 20 10 FECDHN O=C1[C@@H](NCc2ccc(N3CCOCC3)cc2)CCN1Cc1ccccc1 ZINC000374022390 557809609 /nfs/dbraw/zinc/80/96/09/557809609.db2.gz QQCPMTBMECLHCR-NRFANRHFSA-N 0 3 365.477 2.414 20 10 FECDHN COCCN1CCC(NC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000471722241 561010901 /nfs/dbraw/zinc/01/09/01/561010901.db2.gz AGTZHADSJLJQHY-UHFFFAOYSA-N 0 3 358.486 2.397 20 10 FECDHN CCOc1cccc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1O ZINC000825649859 607567382 /nfs/dbraw/zinc/56/73/82/607567382.db2.gz ZULLFMAULBLWJV-UHFFFAOYSA-N 0 3 355.398 2.269 20 10 FECDHN CCOc1cccc(C[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1O ZINC000825649859 607567384 /nfs/dbraw/zinc/56/73/84/607567384.db2.gz ZULLFMAULBLWJV-UHFFFAOYSA-N 0 3 355.398 2.269 20 10 FECDHN COc1ccc(O)c([C@H](C)[NH2+]CCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826210276 608502022 /nfs/dbraw/zinc/50/20/22/608502022.db2.gz KWBDHQHFGGRLHQ-LBPRGKRZSA-N 0 3 355.398 2.311 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CC2(OC)CCOCC2)c1[O-] ZINC000123212195 671977022 /nfs/dbraw/zinc/97/70/22/671977022.db2.gz WGYQCGSJKRVNGR-UHFFFAOYSA-N 0 3 360.248 2.449 20 10 FECDHN COCCN1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000152808841 672188173 /nfs/dbraw/zinc/18/81/73/672188173.db2.gz IXTCZTGDDGZVRC-UHFFFAOYSA-N 0 3 358.533 2.035 20 10 FECDHN COc1ccc(O)c([C@H](C)NCCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000182348324 672443339 /nfs/dbraw/zinc/44/33/39/672443339.db2.gz GIJMIQKBVFDLJF-ZDUSSCGKSA-N 0 3 360.435 2.397 20 10 FECDHN COc1cc(Br)cc(C[NH2+]C2CCN(C(C)=O)CC2)c1[O-] ZINC000727643934 673176872 /nfs/dbraw/zinc/17/68/72/673176872.db2.gz BXEDRVLZCXWJRZ-UHFFFAOYSA-N 0 3 357.248 2.264 20 10 FECDHN CC(C)OCCOC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000840145501 680802319 /nfs/dbraw/zinc/80/23/19/680802319.db2.gz XTNHMNBMIYRYHR-SFHVURJKSA-N 0 3 351.443 2.224 20 10 FECDHN Cc1cc(N(C)C)ccc1CNCCNS(=O)(=O)Cc1ccccc1 ZINC000840929191 680854414 /nfs/dbraw/zinc/85/44/14/680854414.db2.gz IQUXGQPMJGNMGP-UHFFFAOYSA-N 0 3 361.511 2.270 20 10 FECDHN CC[C@H](NCCS(=O)(=O)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000834892580 680280783 /nfs/dbraw/zinc/28/07/83/680280783.db2.gz WNRYVLFXJUYSSJ-SFHVURJKSA-N 0 3 354.516 2.387 20 10 FECDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756459419 680480029 /nfs/dbraw/zinc/48/00/29/680480029.db2.gz NZMWWQMPUOYJOS-GHMZBOCLSA-N 0 3 361.255 2.401 20 10 FECDHN C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756459419 680480034 /nfs/dbraw/zinc/48/00/34/680480034.db2.gz NZMWWQMPUOYJOS-GHMZBOCLSA-N 0 3 361.255 2.401 20 10 FECDHN CCN(C)c1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000773731587 681153748 /nfs/dbraw/zinc/15/37/48/681153748.db2.gz VWEYLCUCQWOXRU-GOSISDBHSA-N 0 3 353.532 2.437 20 10 FECDHN C[C@@H](C[NH2+]Cc1c([O-])cccc1Br)CN1CCN(C)CC1 ZINC000858126072 682936416 /nfs/dbraw/zinc/93/64/16/682936416.db2.gz RIDFGHANBXKGPQ-ZDUSSCGKSA-N 0 3 356.308 2.128 20 10 FECDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c2c1c(F)ccc2[O-] ZINC000797095680 683222074 /nfs/dbraw/zinc/22/20/74/683222074.db2.gz FMHDUNUZQQKKQY-BZPMIXESSA-N 0 3 356.463 2.483 20 10 FECDHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)ccc1O ZINC000869146175 684587711 /nfs/dbraw/zinc/58/77/11/684587711.db2.gz GMPFFXPMJVRTGF-ZDUSSCGKSA-N 0 3 371.865 2.117 20 10 FECDHN O=C1C[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCCN1 ZINC000877033895 686315112 /nfs/dbraw/zinc/31/51/12/686315112.db2.gz QWRFWEPVQFDTHV-JKSUJKDBSA-N 0 3 351.878 2.268 20 10 FECDHN C[C@@H](O)c1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000891248903 689040080 /nfs/dbraw/zinc/04/00/80/689040080.db2.gz OLCZGEMEKOCOJF-DOMZBBRYSA-N 0 3 362.499 2.295 20 10 FECDHN CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCN(C)C1 ZINC000892030732 689142885 /nfs/dbraw/zinc/14/28/85/689142885.db2.gz CFBHICFPDCSGQD-SFHVURJKSA-N 0 3 362.543 2.475 20 10 FECDHN COc1ccc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c([O-])c1OC ZINC000892141359 689156008 /nfs/dbraw/zinc/15/60/08/689156008.db2.gz BJRLMIYDYPNDEC-UHFFFAOYSA-N 0 3 352.475 2.200 20 10 FECDHN COc1ccc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c([O-])c1OC ZINC000892141359 689156010 /nfs/dbraw/zinc/15/60/10/689156010.db2.gz BJRLMIYDYPNDEC-UHFFFAOYSA-N 0 3 352.475 2.200 20 10 FECDHN COc1ccc(CNCCS(=O)(=O)Cc2ccccc2)c(O)c1OC ZINC000892729813 689236386 /nfs/dbraw/zinc/23/63/86/689236386.db2.gz BZCKNPXTABKQHX-UHFFFAOYSA-N 0 3 365.451 2.114 20 10 FECDHN COC(=O)[C@@H]1[C@H](CN(Cc2ccccc2O)C[C@H]2CCCO2)C1(F)F ZINC000893879796 689422378 /nfs/dbraw/zinc/42/23/78/689422378.db2.gz JKGFMNOHPDZXPP-YCPHGPKFSA-N 0 3 355.381 2.428 20 10 FECDHN NC(=O)C1(N2CCCCC2)CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000895551424 689734413 /nfs/dbraw/zinc/73/44/13/689734413.db2.gz QPQPKIHBSFKPHJ-UHFFFAOYSA-N 0 3 369.868 2.491 20 10 FECDHN CN(CCCN1CCN(C)CC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896520117 689884285 /nfs/dbraw/zinc/88/42/85/689884285.db2.gz GXINJTWGRJJUGP-UHFFFAOYSA-N 0 3 363.483 2.022 20 10 FECDHN COc1ccc(CN2CCC(N3CCCOC3=O)CC2)c(O)c1OC ZINC000897589268 690045054 /nfs/dbraw/zinc/04/50/54/690045054.db2.gz INTWIUATEZKOEZ-UHFFFAOYSA-N 0 3 350.415 2.216 20 10 FECDHN CC[C@@](C)(CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899105492 690304800 /nfs/dbraw/zinc/30/48/00/690304800.db2.gz XPPDPKSLFVNHIK-HKUYNNGSSA-N 0 3 350.507 2.206 20 10 FECDHN Cc1cc(CNC(=S)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)no1 ZINC000899724323 690413554 /nfs/dbraw/zinc/41/35/54/690413554.db2.gz MOONZAPUMVXJKJ-QGZVFWFLSA-N 0 3 361.515 2.316 20 10 FECDHN CC(C)N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000067592087 541485992 /nfs/dbraw/zinc/48/59/92/541485992.db2.gz MDECIXHZJOYGAC-GASCZTMLSA-N 0 3 351.466 2.396 20 10 FECDHN COc1cccc(CN2CCN(CCCOCC(F)(F)F)CC2)c1O ZINC000092505448 542867555 /nfs/dbraw/zinc/86/75/55/542867555.db2.gz SHIQESIBHMPKRO-UHFFFAOYSA-N 0 3 362.392 2.487 20 10 FECDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000115808141 543587745 /nfs/dbraw/zinc/58/77/45/543587745.db2.gz JWWOOXDATRJLAX-GOSISDBHSA-N 0 3 360.502 2.006 20 10 FECDHN C[C@H](NCCNC(=O)c1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000120280276 543678258 /nfs/dbraw/zinc/67/82/58/543678258.db2.gz OZIBKIAYXBJXBQ-AWEZNQCLSA-N 0 3 361.417 2.336 20 10 FECDHN C[C@@H](NCCC(=O)N1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000178666842 546829584 /nfs/dbraw/zinc/82/95/84/546829584.db2.gz MBAQAKBHHYVVAC-GOSISDBHSA-N 0 3 358.530 2.492 20 10 FECDHN COc1cc(O)c(CN2CCCC[C@@H]2CN2CCOCC2)cc1OC ZINC000180027552 547040743 /nfs/dbraw/zinc/04/07/43/547040743.db2.gz HQGOEQGKONJSFJ-MRXNPFEDSA-N 0 3 350.459 2.096 20 10 FECDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181224372 547273384 /nfs/dbraw/zinc/27/33/84/547273384.db2.gz YODQOIZQABKGEH-VQHVLOKHSA-N 0 3 356.422 2.407 20 10 FECDHN C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])N1CCN(C)CC1 ZINC000185362842 547975244 /nfs/dbraw/zinc/97/52/44/547975244.db2.gz SWUMTGPEZXIUPE-STQMWFEESA-N 0 3 356.308 2.441 20 10 FECDHN O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2ccccc2[O-])cc1F ZINC000187557237 548259993 /nfs/dbraw/zinc/25/99/93/548259993.db2.gz RCRXOUIGMDCIFO-UHFFFAOYSA-N 0 3 350.415 2.361 20 10 FECDHN Cc1cc(Cl)cc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1[O-] ZINC000191836717 548351429 /nfs/dbraw/zinc/35/14/29/548351429.db2.gz RCAWEKQXQKUKPN-UHFFFAOYSA-N 0 3 369.870 2.410 20 10 FECDHN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000490345208 561431530 /nfs/dbraw/zinc/43/15/30/561431530.db2.gz QXQYIMSZHHTVTQ-NVXWUHKLSA-N 0 3 358.486 2.083 20 10 FECDHN CC(C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000264904040 550003692 /nfs/dbraw/zinc/00/36/92/550003692.db2.gz OCUJHASINZHREP-CQSZACIVSA-N 0 3 364.467 2.308 20 10 FECDHN COc1ccc(N2CCN(CCN[C@@H]3CCCc4c3cnn4C)CC2)cc1 ZINC000268825788 550120177 /nfs/dbraw/zinc/12/01/77/550120177.db2.gz NGMCUOPGUYKNPM-HXUWFJFHSA-N 0 3 369.513 2.218 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H]1CC(C)(C)OC1(C)C)cc2=O ZINC000274882489 550562451 /nfs/dbraw/zinc/56/24/51/550562451.db2.gz ZTCNRSMNOJHQQN-CYBMUJFWSA-N 0 3 362.430 2.047 20 10 FECDHN CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccnn2C)c([O-])c1 ZINC000284545424 551574216 /nfs/dbraw/zinc/57/42/16/551574216.db2.gz NJRKHIZNWMCHEY-DNVCBOLYSA-N 0 3 358.442 2.024 20 10 FECDHN CCN(Cc1cc(Br)ccc1[O-])C(=O)C1(C[NH3+])CCOCC1 ZINC000284987055 551684208 /nfs/dbraw/zinc/68/42/08/551684208.db2.gz SPRVENVUJAWJCB-UHFFFAOYSA-N 0 3 371.275 2.259 20 10 FECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289570207 552342337 /nfs/dbraw/zinc/34/23/37/552342337.db2.gz JLXYLMKHJGRLSH-DYVFJYSZSA-N 0 3 351.834 2.307 20 10 FECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000289570207 552342340 /nfs/dbraw/zinc/34/23/40/552342340.db2.gz JLXYLMKHJGRLSH-DYVFJYSZSA-N 0 3 351.834 2.307 20 10 FECDHN COC(=O)c1cn(C2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)nn1 ZINC000294555520 552915314 /nfs/dbraw/zinc/91/53/14/552915314.db2.gz LCQLNLZBCZUGNA-UHFFFAOYSA-N 0 3 357.458 2.276 20 10 FECDHN COC1CCN(c2ccc(CN3CCN(C[C@@H]4CCOC4)CC3)cc2)CC1 ZINC000295086062 552957582 /nfs/dbraw/zinc/95/75/82/552957582.db2.gz RPZHRSAXCZQQIW-FQEVSTJZSA-N 0 3 373.541 2.456 20 10 FECDHN COC1CCN(c2ccc(CN3CC[C@@H]4NC(=O)OC[C@H]4C3)cc2)CC1 ZINC000295348392 552991464 /nfs/dbraw/zinc/99/14/64/552991464.db2.gz NQKOEOCETZUHQV-APWZRJJASA-N 0 3 359.470 2.232 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN[C@H]1C[C@@H](OCC)C13CCC3)cc2=O ZINC000295846818 553067368 /nfs/dbraw/zinc/06/73/68/553067368.db2.gz DFWZOCNVLSEVLJ-LSDHHAIUSA-N 0 3 374.441 2.049 20 10 FECDHN CCN1CCC(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000299043976 553507608 /nfs/dbraw/zinc/50/76/08/553507608.db2.gz RZZYFTSFRSEGCM-UHFFFAOYSA-N 0 3 374.529 2.179 20 10 FECDHN CCc1nc(CN2C[C@@H]3C[N@H+]([C@H](C)c4cc(OC)ccc4[O-])C[C@@H]3C2)no1 ZINC000368017600 556196279 /nfs/dbraw/zinc/19/62/79/556196279.db2.gz HVUZCFXKTQLQDE-KFWWJZLASA-N 0 3 372.469 2.471 20 10 FECDHN CCc1nc(CN2C[C@@H]3C[N@@H+]([C@H](C)c4cc(OC)ccc4[O-])C[C@@H]3C2)no1 ZINC000368017600 556196283 /nfs/dbraw/zinc/19/62/83/556196283.db2.gz HVUZCFXKTQLQDE-KFWWJZLASA-N 0 3 372.469 2.471 20 10 FECDHN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000369026888 556480393 /nfs/dbraw/zinc/48/03/93/556480393.db2.gz JRPIOGGJTGVAJB-RTBURBONSA-N 0 3 360.502 2.195 20 10 FECDHN Cc1cc(Cl)cc(CN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1[O-] ZINC000372812732 557567151 /nfs/dbraw/zinc/56/71/51/557567151.db2.gz RDLOHHXJCRLEFW-INIZCTEOSA-N 0 3 372.918 2.095 20 10 FECDHN Cc1nccc(CN2CCC[C@@H](NCc3ccc(N(C)C)cc3)C2=O)n1 ZINC000373367733 557680438 /nfs/dbraw/zinc/68/04/38/557680438.db2.gz BBZSPGDJRPDVDL-LJQANCHMSA-N 0 3 353.470 2.132 20 10 FECDHN CN(C(=O)[C@@H]1CC12CCN(Cc1cc3c(cc1O)OCO3)CC2)C1CC1 ZINC000374989345 557960158 /nfs/dbraw/zinc/96/01/58/557960158.db2.gz JKIQFRBNYRNOLF-HNNXBMFYSA-N 0 3 358.438 2.344 20 10 FECDHN COc1cccc(CN2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1O ZINC000377701567 558400841 /nfs/dbraw/zinc/40/08/41/558400841.db2.gz UBUSTSPCLCYTAJ-HOTGVXAUSA-N 0 3 364.442 2.270 20 10 FECDHN C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000378406289 558549544 /nfs/dbraw/zinc/54/95/44/558549544.db2.gz UTPSJWRAWRZQON-DZASIIFFSA-N 0 3 361.461 2.322 20 10 FECDHN O=C([C@@H]1CC12CCN(Cc1cc3c(cc1O)OCO3)CC2)N1CCCC1 ZINC000378417373 558552376 /nfs/dbraw/zinc/55/23/76/558552376.db2.gz VGWTXMOUROCZMP-HNNXBMFYSA-N 0 3 358.438 2.345 20 10 FECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000809705769 674506300 /nfs/dbraw/zinc/50/63/00/674506300.db2.gz ZFBSCYAYNSYLEM-SJCJKPOMSA-N 0 3 367.833 2.007 20 10 FECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1[O-] ZINC000809705769 674506301 /nfs/dbraw/zinc/50/63/01/674506301.db2.gz ZFBSCYAYNSYLEM-SJCJKPOMSA-N 0 3 367.833 2.007 20 10 FECDHN COCCOC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000093339501 670752284 /nfs/dbraw/zinc/75/22/84/670752284.db2.gz IOPVGDAQMLVEOQ-UHFFFAOYSA-N 0 3 352.450 2.290 20 10 FECDHN CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000733301626 673407791 /nfs/dbraw/zinc/40/77/91/673407791.db2.gz VNFMXCZZBOVVNM-HNNXBMFYSA-N 0 3 364.467 2.068 20 10 FECDHN CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000733301626 673407794 /nfs/dbraw/zinc/40/77/94/673407794.db2.gz VNFMXCZZBOVVNM-HNNXBMFYSA-N 0 3 364.467 2.068 20 10 FECDHN CNS(=O)(=O)C1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000824779857 675621923 /nfs/dbraw/zinc/62/19/23/675621923.db2.gz YDMVVJDFGDLSGG-UHFFFAOYSA-N 0 3 370.515 2.212 20 10 FECDHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)cc1Cl ZINC000825903502 675673780 /nfs/dbraw/zinc/67/37/80/675673780.db2.gz JFCFWPFYBCOBPO-UHFFFAOYSA-N 0 3 365.905 2.340 20 10 FECDHN COc1cc(Br)cc(CN2CC[C@@H](Cn3ccnn3)C2)c1O ZINC000826845338 675709833 /nfs/dbraw/zinc/70/98/33/675709833.db2.gz JARVFBCKJURKKE-LLVKDONJSA-N 0 3 367.247 2.277 20 10 FECDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000765794520 680855377 /nfs/dbraw/zinc/85/53/77/680855377.db2.gz CYSNMKKQWLNHPI-NEPJUHHUSA-N 0 3 357.248 2.168 20 10 FECDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](CCF)C1)cc2=O ZINC000852533007 682296813 /nfs/dbraw/zinc/29/68/13/682296813.db2.gz ONDIPBZZIOYPFE-GFCCVEGCSA-N 0 3 350.394 2.183 20 10 FECDHN C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000853519474 682426862 /nfs/dbraw/zinc/42/68/62/682426862.db2.gz CSAZQASWWUDZEV-HNNXBMFYSA-N 0 3 352.431 2.165 20 10 FECDHN C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000853519474 682426865 /nfs/dbraw/zinc/42/68/65/682426865.db2.gz CSAZQASWWUDZEV-HNNXBMFYSA-N 0 3 352.431 2.165 20 10 FECDHN CCN(Cc1cc(Br)ccc1O)C(=O)c1c(CN)cnn1C ZINC000876697775 686246544 /nfs/dbraw/zinc/24/65/44/686246544.db2.gz ALAVTUMFHSYBSS-UHFFFAOYSA-N 0 3 367.247 2.009 20 10 FECDHN CNS(=O)(=O)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000877688800 686437485 /nfs/dbraw/zinc/43/74/85/686437485.db2.gz HVBFKESCRKQXBA-UHFFFAOYSA-N 0 3 364.467 2.000 20 10 FECDHN COC(=O)c1c(CN[C@@H](C)CC[S@@](C)=O)c2cc(F)ccc2n1C ZINC000894332891 689511810 /nfs/dbraw/zinc/51/18/10/689511810.db2.gz JJDYETSRVWKSQA-APXPCNQMSA-N 0 3 354.447 2.351 20 10 FECDHN CN(C)c1ccc([C@@H](CNC(=O)NCCC(C)(C)CO)N(C)C)cc1 ZINC000899098792 690303812 /nfs/dbraw/zinc/30/38/12/690303812.db2.gz RYYPZELZVQBKIX-QGZVFWFLSA-N 0 3 350.507 2.063 20 10 FECDHN CC[C@H](C[C@H](C)O)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899099156 690303858 /nfs/dbraw/zinc/30/38/58/690303858.db2.gz WFCDHUCKLNDSFE-LESCRADOSA-N 0 3 350.507 2.204 20 10 FECDHN CC(C)[C@](C)(O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899100994 690304412 /nfs/dbraw/zinc/30/44/12/690304412.db2.gz GBAVLYFBHTUHPP-PKOBYXMFSA-N 0 3 350.507 2.062 20 10 FECDHN CC[C@H](CCO)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102841 690304416 /nfs/dbraw/zinc/30/44/16/690304416.db2.gz SLWJUDAZFRSSHD-QAPCUYQASA-N 0 3 350.507 2.063 20 10 FECDHN CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000090412161 542784515 /nfs/dbraw/zinc/78/45/15/542784515.db2.gz CMRPHCQMAJYGTA-ZBFHGGJFSA-N 0 3 364.465 2.117 20 10 FECDHN Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092011060 542837965 /nfs/dbraw/zinc/83/79/65/542837965.db2.gz XJGKEKJYLPDZAY-AZUAARDMSA-N 0 3 370.497 2.202 20 10 FECDHN CC[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(C)cc1[O-] ZINC000806171039 674369722 /nfs/dbraw/zinc/36/97/22/674369722.db2.gz PRBAJXATCDDCSD-ZBFHGGJFSA-N 0 3 355.504 2.012 20 10 FECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000157064202 545696549 /nfs/dbraw/zinc/69/65/49/545696549.db2.gz YMGVMISZCSRLBX-OAHLLOKOSA-N 0 3 362.470 2.404 20 10 FECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000157064202 545696551 /nfs/dbraw/zinc/69/65/51/545696551.db2.gz YMGVMISZCSRLBX-OAHLLOKOSA-N 0 3 362.470 2.404 20 10 FECDHN CCOc1ccc(O)c(CNCCN(C)S(=O)(=O)c2cccs2)c1 ZINC000158312334 545847702 /nfs/dbraw/zinc/84/77/02/545847702.db2.gz HJNYBQSOKQPYRY-UHFFFAOYSA-N 0 3 370.496 2.263 20 10 FECDHN CCOc1cccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)c1O ZINC000159408812 545950615 /nfs/dbraw/zinc/95/06/15/545950615.db2.gz RBPSTGAJAQDGDT-OAHLLOKOSA-N 0 3 356.488 2.085 20 10 FECDHN CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000175786198 546349412 /nfs/dbraw/zinc/34/94/12/546349412.db2.gz TUCQLPJYENZXTP-KRWDZBQOSA-N 0 3 362.518 2.197 20 10 FECDHN COc1cc(O)c(CN[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000191807181 548351507 /nfs/dbraw/zinc/35/15/07/548351507.db2.gz VJJGAWBAXYNMJK-INIZCTEOSA-N 0 3 374.412 2.439 20 10 FECDHN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cc3c(cc2O)OCO3)cc1 ZINC000274733881 550551038 /nfs/dbraw/zinc/55/10/38/550551038.db2.gz BLCPCQVFBPXNJO-CYBMUJFWSA-N 0 3 363.435 2.381 20 10 FECDHN CN(C)C1(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000275386135 550571843 /nfs/dbraw/zinc/57/18/43/550571843.db2.gz BTMDUCJSWMJNDT-UHFFFAOYSA-N 0 3 360.502 2.149 20 10 FECDHN COc1ccc(N2CCN(CCN[C@@H](C)c3nccnc3C)CC2)cc1 ZINC000275903061 550575134 /nfs/dbraw/zinc/57/51/34/550575134.db2.gz SMZCJBFZDCORJP-KRWDZBQOSA-N 0 3 355.486 2.266 20 10 FECDHN CC(=O)c1cc(F)cc(CN2CCN(C3CCOCC3)C[C@@H]2C)c1O ZINC000278410922 550782783 /nfs/dbraw/zinc/78/27/83/550782783.db2.gz HNLDTMXOVLYFEW-ZDUSSCGKSA-N 0 3 350.434 2.419 20 10 FECDHN [O-]c1cc2c(cc1C[NH2+]CCCn1cc(Br)cn1)OCO2 ZINC000288479107 552160430 /nfs/dbraw/zinc/16/04/30/552160430.db2.gz POZLTJSWMOHIKF-UHFFFAOYSA-N 0 3 354.204 2.260 20 10 FECDHN Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)c1[O-] ZINC000289877297 552393413 /nfs/dbraw/zinc/39/34/13/552393413.db2.gz RTQYCVKRLALCST-UHFFFAOYSA-N 0 3 365.905 2.340 20 10 FECDHN O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296701397 553200026 /nfs/dbraw/zinc/20/00/26/553200026.db2.gz HQOXTTGFWBZYOI-ZDUSSCGKSA-N 0 3 360.426 2.234 20 10 FECDHN Cc1cccc(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)c1[O-] ZINC000362043024 554945771 /nfs/dbraw/zinc/94/57/71/554945771.db2.gz VPFGVGPMZUAAPZ-HNNXBMFYSA-N 0 3 352.442 2.145 20 10 FECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000363867386 555202716 /nfs/dbraw/zinc/20/27/16/555202716.db2.gz QEZPLLXGJFWAJF-WLYUNCDWSA-N 0 3 368.499 2.398 20 10 FECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)c1 ZINC000364699559 555377984 /nfs/dbraw/zinc/37/79/84/555377984.db2.gz UAPLVXOTPAIZIF-MGPUTAFESA-N 0 3 372.469 2.060 20 10 FECDHN O=C(Nc1ccccn1)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000368776762 556410802 /nfs/dbraw/zinc/41/08/02/556410802.db2.gz DSYVUXNCYKTBAY-ZDUSSCGKSA-N 0 3 355.394 2.367 20 10 FECDHN O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000368776762 556410804 /nfs/dbraw/zinc/41/08/04/556410804.db2.gz DSYVUXNCYKTBAY-ZDUSSCGKSA-N 0 3 355.394 2.367 20 10 FECDHN O=C(Nc1ccccn1)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000368776762 556410807 /nfs/dbraw/zinc/41/08/07/556410807.db2.gz DSYVUXNCYKTBAY-ZDUSSCGKSA-N 0 3 355.394 2.367 20 10 FECDHN COc1cc(Br)cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c1[O-] ZINC000370261135 556823943 /nfs/dbraw/zinc/82/39/43/556823943.db2.gz LMWGPVSSVRDQFP-SWLSCSKDSA-N 0 3 369.259 2.310 20 10 FECDHN Cc1cc(Cl)cc(CN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1[O-] ZINC000372812733 557567354 /nfs/dbraw/zinc/56/73/54/557567354.db2.gz RDLOHHXJCRLEFW-MRXNPFEDSA-N 0 3 372.918 2.095 20 10 FECDHN COc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000377296154 558308630 /nfs/dbraw/zinc/30/86/30/558308630.db2.gz CZGHCSHMJVABED-HNAYVOBHSA-N 0 3 372.469 2.060 20 10 FECDHN CCOc1ccc(O)c(CN2CCC(C(=O)Nc3nncs3)CC2)c1 ZINC000377692904 558398739 /nfs/dbraw/zinc/39/87/39/558398739.db2.gz HAYJGDLZBAGWRW-UHFFFAOYSA-N 0 3 362.455 2.493 20 10 FECDHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1 ZINC000377692904 558398741 /nfs/dbraw/zinc/39/87/41/558398741.db2.gz HAYJGDLZBAGWRW-UHFFFAOYSA-N 0 3 362.455 2.493 20 10 FECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c1[O-] ZINC000808694919 674468901 /nfs/dbraw/zinc/46/89/01/674468901.db2.gz CHJNURWWWOANFT-RDJZCZTQSA-N 0 3 367.921 2.411 20 10 FECDHN CN(C)S(=O)(=O)CCCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000728688819 673209212 /nfs/dbraw/zinc/20/92/12/673209212.db2.gz ZPTJBWCCTPYMJB-UHFFFAOYSA-N 0 3 353.532 2.390 20 10 FECDHN Cc1cc(O)c(CN2CCN(C(=O)CN3CCCC3)CC2)cc1Cl ZINC000824709575 675617608 /nfs/dbraw/zinc/61/76/08/675617608.db2.gz MFPHLYUWJGDRNY-UHFFFAOYSA-N 0 3 351.878 2.094 20 10 FECDHN CCOc1ccc(CNCc2cccc(S(=O)(=O)N(C)C)c2)c(O)c1 ZINC000824737534 675619250 /nfs/dbraw/zinc/61/92/50/675619250.db2.gz BWBWEKRDGVWCND-UHFFFAOYSA-N 0 3 364.467 2.331 20 10 FECDHN CCOc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c([O-])c1 ZINC000824737534 675619251 /nfs/dbraw/zinc/61/92/51/675619251.db2.gz BWBWEKRDGVWCND-UHFFFAOYSA-N 0 3 364.467 2.331 20 10 FECDHN COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3[O-])C2)nn1 ZINC000825514664 675657002 /nfs/dbraw/zinc/65/70/02/675657002.db2.gz ROWOARVCLZACKQ-GFCCVEGCSA-N 0 3 350.806 2.179 20 10 FECDHN COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)nn1 ZINC000825514664 675657004 /nfs/dbraw/zinc/65/70/04/675657004.db2.gz ROWOARVCLZACKQ-GFCCVEGCSA-N 0 3 350.806 2.179 20 10 FECDHN N[C@H](CC(F)F)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665331 677053347 /nfs/dbraw/zinc/05/33/47/677053347.db2.gz UNLIRPWCCSHWCD-GXFFZTMASA-N 0 3 363.355 2.356 20 10 FECDHN COCCNC(=O)C1(N[C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000840822786 680844756 /nfs/dbraw/zinc/84/47/56/680844756.db2.gz QRUXPICCXYWARP-NSHDSACASA-N 0 3 371.275 2.409 20 10 FECDHN COCCNC(=O)C1([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000840822786 680844758 /nfs/dbraw/zinc/84/47/58/680844758.db2.gz QRUXPICCXYWARP-NSHDSACASA-N 0 3 371.275 2.409 20 10 FECDHN CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000749971504 680092433 /nfs/dbraw/zinc/09/24/33/680092433.db2.gz JVZVWTHSUXQPTI-AWEZNQCLSA-N 0 3 364.467 2.068 20 10 FECDHN CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccc(OC)cc21 ZINC000749971504 680092438 /nfs/dbraw/zinc/09/24/38/680092438.db2.gz JVZVWTHSUXQPTI-AWEZNQCLSA-N 0 3 364.467 2.068 20 10 FECDHN CN(CC[NH2+][C@@H]1CCc2cccc([O-])c21)S(=O)(=O)c1ccc(F)cc1 ZINC000834790733 680267984 /nfs/dbraw/zinc/26/79/84/680267984.db2.gz VIMIKDABRVWDLJ-MRXNPFEDSA-N 0 3 364.442 2.429 20 10 FECDHN C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756605717 680488507 /nfs/dbraw/zinc/48/85/07/680488507.db2.gz UPSCACRAMTXAHH-SNVBAGLBSA-N 0 3 361.255 2.401 20 10 FECDHN COc1cccc([C@@H](C)NCc2ccc(S(=O)(=O)CCO)cc2)c1O ZINC000846163437 681192669 /nfs/dbraw/zinc/19/26/69/681192669.db2.gz AJKMEFWNYJRXBO-CYBMUJFWSA-N 0 3 365.451 2.018 20 10 FECDHN COc1c([O-])c(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000774904974 681248438 /nfs/dbraw/zinc/24/84/38/681248438.db2.gz YLIDSOLZXLNIBP-AWEZNQCLSA-N 0 3 364.320 2.444 20 10 FECDHN CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc3c(cc2O)CCCC3)C1 ZINC000795656284 683077989 /nfs/dbraw/zinc/07/79/89/683077989.db2.gz ILDFTAUQWAYQBP-KRWDZBQOSA-N 0 3 352.500 2.127 20 10 FECDHN C[C@H](NC[C@@H](O)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000927135656 683211168 /nfs/dbraw/zinc/21/11/68/683211168.db2.gz ZWTSYJRITOAZPF-SCLBCKFNSA-N 0 3 364.877 2.294 20 10 FECDHN CC[N@@H+]1CC[C@H]2OCCN(Cc3c([O-])cccc3Br)[C@H]2C1 ZINC000862377638 683580350 /nfs/dbraw/zinc/58/03/50/683580350.db2.gz JWZVXHACVGKVJC-GOEBONIOSA-N 0 3 355.276 2.450 20 10 FECDHN CC[N@H+]1CC[C@H]2OCCN(Cc3c([O-])cccc3Br)[C@H]2C1 ZINC000862377638 683580352 /nfs/dbraw/zinc/58/03/52/683580352.db2.gz JWZVXHACVGKVJC-GOEBONIOSA-N 0 3 355.276 2.450 20 10 FECDHN CNS(=O)(=O)C[C@@H]1CCCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000862552309 683600855 /nfs/dbraw/zinc/60/08/55/683600855.db2.gz VVBALRLWGUWDRP-XQDHMALISA-N 0 3 351.516 2.027 20 10 FECDHN COc1cc(Br)cc(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)c1[O-] ZINC000922488912 683733880 /nfs/dbraw/zinc/73/38/80/683733880.db2.gz MISCSRVJGMVJNP-SNVBAGLBSA-N 0 3 357.248 2.121 20 10 FECDHN O[C@@H]1COC[C@@H]1NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000865666278 684012248 /nfs/dbraw/zinc/01/22/48/684012248.db2.gz LYTXJEUSVYCTAG-GOEBONIOSA-N 0 3 355.276 2.289 20 10 FECDHN COc1ccc2ccc(O)c(CN3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)c2c1 ZINC000872797198 685017016 /nfs/dbraw/zinc/01/70/16/685017016.db2.gz XLUIBCFARKGKMP-HUUCEWRRSA-N 0 3 361.463 2.421 20 10 FECDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)c1ccccc1O ZINC000879648230 686879758 /nfs/dbraw/zinc/87/97/58/686879758.db2.gz FUXNGUMIHICVKZ-OLZOCXBDSA-N 0 3 362.451 2.474 20 10 FECDHN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)c1ccccc1[O-] ZINC000879648230 686879762 /nfs/dbraw/zinc/87/97/62/686879762.db2.gz FUXNGUMIHICVKZ-OLZOCXBDSA-N 0 3 362.451 2.474 20 10 FECDHN CCOc1ccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c([O-])c1 ZINC000883291405 687601132 /nfs/dbraw/zinc/60/11/32/687601132.db2.gz DBFGLKWQUCQJAD-UHFFFAOYSA-N 0 3 356.488 2.131 20 10 FECDHN Cc1nnc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000894097417 689466088 /nfs/dbraw/zinc/46/60/88/689466088.db2.gz BXTAATXZGXQKEF-HNNXBMFYSA-N 0 3 362.503 2.015 20 10 FECDHN COC(=O)c1cnc(CNC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898446762 690185793 /nfs/dbraw/zinc/18/57/93/690185793.db2.gz AFOVHZZUBVARHJ-HNNXBMFYSA-N 0 3 362.499 2.388 20 10 FECDHN CC[C@H](O)CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101871 690304302 /nfs/dbraw/zinc/30/43/02/690304302.db2.gz MUYBNLVULUABLI-ROUUACIJSA-N 0 3 350.507 2.206 20 10 FECDHN CC[C@H](CCO)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102839 690304380 /nfs/dbraw/zinc/30/43/80/690304380.db2.gz SLWJUDAZFRSSHD-CRAIPNDOSA-N 0 3 350.507 2.063 20 10 FECDHN C[C@H](O)C[C@H](C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899102500 690304425 /nfs/dbraw/zinc/30/44/25/690304425.db2.gz QBAQPYKKMGUVEO-MPGHIAIKSA-N 0 3 350.507 2.062 20 10 FECDHN