smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@]2(O)CC[NH2+]C2)cc1 ZINC001577738319 1090159944 /nfs/dbraw/zinc/15/99/44/1090159944.db2.gz RLHNLKDHRDHSIB-OAQYLSRUSA-N 2 1 339.483 2.527 20 10 EFCDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1c(O)cccc1Br ZINC001580171314 1090798930 /nfs/dbraw/zinc/79/89/30/1090798930.db2.gz LNRITTBUUBLNDO-YOGCLGLASA-N 2 1 325.250 2.999 20 10 EFCDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1c(O)cccc1Br ZINC001580171314 1090798933 /nfs/dbraw/zinc/79/89/33/1090798933.db2.gz LNRITTBUUBLNDO-YOGCLGLASA-N 2 1 325.250 2.999 20 10 EFCDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)C1 ZINC001580201192 1090807580 /nfs/dbraw/zinc/80/75/80/1090807580.db2.gz XIMBYKUUDMBNEJ-NDGTYSDOSA-N 2 1 342.842 2.903 20 10 EFCDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)C1 ZINC001580201192 1090807586 /nfs/dbraw/zinc/80/75/86/1090807586.db2.gz XIMBYKUUDMBNEJ-NDGTYSDOSA-N 2 1 342.842 2.903 20 10 EFCDMP CN(C)c1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000898450136 1108944111 /nfs/dbraw/zinc/94/41/11/1108944111.db2.gz OGYWDEGGMCDWRT-IHPCNDPISA-N 2 1 330.520 2.572 20 10 EFCDMP CC[N@H+](Cc1cc(C)c(Br)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001236410178 1112616017 /nfs/dbraw/zinc/61/60/17/1112616017.db2.gz FQYFINHICNRPQO-GFCCVEGCSA-N 2 1 327.266 2.895 20 10 EFCDMP Oc1cccc2c1[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000296490618 241088430 /nfs/dbraw/zinc/08/84/30/241088430.db2.gz POHIGHPVPFTFBH-OALUTQOASA-N 2 1 338.451 2.736 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000160275381 286238966 /nfs/dbraw/zinc/23/89/66/286238966.db2.gz YUGHXCAPLSEQLW-MRXNPFEDSA-N 2 1 334.460 2.860 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000160275381 286238968 /nfs/dbraw/zinc/23/89/68/286238968.db2.gz YUGHXCAPLSEQLW-MRXNPFEDSA-N 2 1 334.460 2.860 20 10 EFCDMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000119637696 472571942 /nfs/dbraw/zinc/57/19/42/472571942.db2.gz DPSNNIQHLJFRQV-MRXNPFEDSA-N 2 1 329.488 2.801 20 10 EFCDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)ccc1O ZINC000185414264 473420084 /nfs/dbraw/zinc/42/00/84/473420084.db2.gz XRVGJXHHXROGRG-DZGCQCFKSA-N 2 1 326.868 2.933 20 10 EFCDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152405461 473558945 /nfs/dbraw/zinc/55/89/45/473558945.db2.gz YPFHRAHNIDLRGB-JKSUJKDBSA-N 2 1 347.478 2.797 20 10 EFCDMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152405563 473559023 /nfs/dbraw/zinc/55/90/23/473559023.db2.gz YPFHRAHNIDLRGB-HZPDHXFCSA-N 2 1 347.478 2.797 20 10 EFCDMP COc1ccc(N2CCC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000152423402 473561206 /nfs/dbraw/zinc/56/12/06/473561206.db2.gz VROXWKNXEPJONJ-INIZCTEOSA-N 2 1 329.488 2.738 20 10 EFCDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000115628913 473587977 /nfs/dbraw/zinc/58/79/77/473587977.db2.gz MBACJSZXEYGOCQ-XLIONFOSSA-N 2 1 333.520 2.979 20 10 EFCDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180011616 473777238 /nfs/dbraw/zinc/77/72/38/473777238.db2.gz YCAHURPXAXCTBL-IYBDPMFKSA-N 2 1 335.467 2.522 20 10 EFCDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180011616 473777242 /nfs/dbraw/zinc/77/72/42/473777242.db2.gz YCAHURPXAXCTBL-IYBDPMFKSA-N 2 1 335.467 2.522 20 10 EFCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1O ZINC000183723768 474419917 /nfs/dbraw/zinc/41/99/17/474419917.db2.gz HDFIOQIWOKFXKK-QAPCUYQASA-N 2 1 326.440 2.810 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000273622761 474993907 /nfs/dbraw/zinc/99/39/07/474993907.db2.gz ZOJGCTCLCDALJS-LSDHHAIUSA-N 2 1 334.460 2.950 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000273622761 474993914 /nfs/dbraw/zinc/99/39/14/474993914.db2.gz ZOJGCTCLCDALJS-LSDHHAIUSA-N 2 1 334.460 2.950 20 10 EFCDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780999 475042340 /nfs/dbraw/zinc/04/23/40/475042340.db2.gz PTLAEUCFCQHRSE-ZAAXVRCTSA-N 2 1 347.478 2.940 20 10 EFCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780999 475042348 /nfs/dbraw/zinc/04/23/48/475042348.db2.gz PTLAEUCFCQHRSE-ZAAXVRCTSA-N 2 1 347.478 2.940 20 10 EFCDMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000268838953 475046331 /nfs/dbraw/zinc/04/63/31/475046331.db2.gz MRRSYSBGSZKGGZ-PXNSSMCTSA-N 2 1 331.504 2.784 20 10 EFCDMP CCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c1O ZINC000293978470 475060210 /nfs/dbraw/zinc/06/02/10/475060210.db2.gz KTBRJRZOKSGFKY-JWTNVVGKSA-N 2 1 348.487 2.865 20 10 EFCDMP CCOc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c1O ZINC000293978470 475060220 /nfs/dbraw/zinc/06/02/20/475060220.db2.gz KTBRJRZOKSGFKY-JWTNVVGKSA-N 2 1 348.487 2.865 20 10 EFCDMP CCOc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1O ZINC000293978470 475060226 /nfs/dbraw/zinc/06/02/26/475060226.db2.gz KTBRJRZOKSGFKY-JWTNVVGKSA-N 2 1 348.487 2.865 20 10 EFCDMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000159278811 528989070 /nfs/dbraw/zinc/98/90/70/528989070.db2.gz HLHTWGWFGJMIRS-OAHLLOKOSA-N 2 1 335.467 2.797 20 10 EFCDMP C[C@H]1C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2c1c(F)ccc2O ZINC000756533532 575756060 /nfs/dbraw/zinc/75/60/60/575756060.db2.gz IOLMWLIGAJZRRC-WMLDXEAASA-N 2 1 349.494 2.943 20 10 EFCDMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2c1c(F)ccc2O ZINC000756533530 575756076 /nfs/dbraw/zinc/75/60/76/575756076.db2.gz IOLMWLIGAJZRRC-RHSMWYFYSA-N 2 1 349.494 2.943 20 10 EFCDMP COc1cc(Cl)cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000763661166 576385042 /nfs/dbraw/zinc/38/50/42/576385042.db2.gz NNIHOEUNZZSSMX-ZDUSSCGKSA-N 2 1 342.867 2.645 20 10 EFCDMP COc1cc(Cl)cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000763661166 576385047 /nfs/dbraw/zinc/38/50/47/576385047.db2.gz NNIHOEUNZZSSMX-ZDUSSCGKSA-N 2 1 342.867 2.645 20 10 EFCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000765039235 576539753 /nfs/dbraw/zinc/53/97/53/576539753.db2.gz SFYCCFAEDQBVQQ-QRFRQXIXSA-N 2 1 329.488 2.801 20 10 EFCDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166784 577115826 /nfs/dbraw/zinc/11/58/26/577115826.db2.gz SOOHTKKBLFUROU-ZOBUZTSGSA-N 2 1 335.467 2.796 20 10 EFCDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166784 577115830 /nfs/dbraw/zinc/11/58/30/577115830.db2.gz SOOHTKKBLFUROU-ZOBUZTSGSA-N 2 1 335.467 2.796 20 10 EFCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768449735 577275092 /nfs/dbraw/zinc/27/50/92/577275092.db2.gz ZSWIFMCHZDWCIL-LJQANCHMSA-N 2 1 348.487 2.762 20 10 EFCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc2c(cc1O)CCCC2 ZINC000768461425 577275590 /nfs/dbraw/zinc/27/55/90/577275590.db2.gz CWNRPXBBYYEAGG-DYXWJJEUSA-N 2 1 344.499 2.955 20 10 EFCDMP COC[C@@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000768539887 577282020 /nfs/dbraw/zinc/28/20/20/577282020.db2.gz DDPHLUZXLOHZIW-LJQANCHMSA-N 2 1 331.504 2.687 20 10 EFCDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769470635 577365086 /nfs/dbraw/zinc/36/50/86/577365086.db2.gz MLYQOMSBTQJHAE-SJLPKXTDSA-N 2 1 349.494 2.967 20 10 EFCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769470635 577365087 /nfs/dbraw/zinc/36/50/87/577365087.db2.gz MLYQOMSBTQJHAE-SJLPKXTDSA-N 2 1 349.494 2.967 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769470635 577365089 /nfs/dbraw/zinc/36/50/89/577365089.db2.gz MLYQOMSBTQJHAE-SJLPKXTDSA-N 2 1 349.494 2.967 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769470635 577365090 /nfs/dbraw/zinc/36/50/90/577365090.db2.gz MLYQOMSBTQJHAE-SJLPKXTDSA-N 2 1 349.494 2.967 20 10 EFCDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769513592 577368873 /nfs/dbraw/zinc/36/88/73/577368873.db2.gz CGKVJVWGRARBSJ-HXUWFJFHSA-N 2 1 343.515 2.687 20 10 EFCDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769513592 577368875 /nfs/dbraw/zinc/36/88/75/577368875.db2.gz CGKVJVWGRARBSJ-HXUWFJFHSA-N 2 1 343.515 2.687 20 10 EFCDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769513592 577368876 /nfs/dbraw/zinc/36/88/76/577368876.db2.gz CGKVJVWGRARBSJ-HXUWFJFHSA-N 2 1 343.515 2.687 20 10 EFCDMP CCOc1cccc(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)c1O ZINC000769515461 577369288 /nfs/dbraw/zinc/36/92/88/577369288.db2.gz QTVRWFDYFSNIFO-QGZVFWFLSA-N 2 1 336.476 2.724 20 10 EFCDMP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(Br)c(F)cc1O ZINC000774383608 581490623 /nfs/dbraw/zinc/49/06/23/581490623.db2.gz ZCYRZIOXECLZOL-JTQLQIEISA-N 2 1 349.244 2.523 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000850584682 1250548552 /nfs/dbraw/zinc/54/85/52/1250548552.db2.gz TVDZISIJGQADTG-CQSZACIVSA-N 2 1 346.471 2.951 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](CO)c1ccccc1 ZINC000824696835 1278230537 /nfs/dbraw/zinc/23/05/37/1278230537.db2.gz UWKNCQOUXRRIGI-NRFANRHFSA-N 2 1 339.483 2.604 20 10 EFCDMP Oc1cccc2c1[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000702544359 1271476580 /nfs/dbraw/zinc/47/65/80/1271476580.db2.gz KEVXHIRRIRWRCY-WIYYLYMNSA-N 2 1 338.451 2.606 20 10 EFCDMP Oc1cccc2c1[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000702544359 1271476588 /nfs/dbraw/zinc/47/65/88/1271476588.db2.gz KEVXHIRRIRWRCY-WIYYLYMNSA-N 2 1 338.451 2.606 20 10 EFCDMP Oc1cccc2c1[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000702544349 1271478372 /nfs/dbraw/zinc/47/83/72/1271478372.db2.gz KEVXHIRRIRWRCY-GHTZIAJQSA-N 2 1 338.451 2.606 20 10 EFCDMP Oc1cccc2c1[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000702544349 1271478376 /nfs/dbraw/zinc/47/83/76/1271478376.db2.gz KEVXHIRRIRWRCY-GHTZIAJQSA-N 2 1 338.451 2.606 20 10 EFCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1c(O)ccc2ccncc21 ZINC000746644220 1275682720 /nfs/dbraw/zinc/68/27/20/1275682720.db2.gz ASNXLNRPJWASJD-XFQXTVEOSA-N 2 1 341.455 2.624 20 10 EFCDMP CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NCC1C[NH+](C)C1)N=[N+]=[N-] ZINC001170252465 1278972412 /nfs/dbraw/zinc/97/24/12/1278972412.db2.gz MXSXJQQDWIELEA-CHHVJCJISA-N 2 1 344.419 2.886 20 10 EFCDMP Cc1cc(C)c([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c(O)c1 ZINC000788593857 1276236057 /nfs/dbraw/zinc/23/60/57/1276236057.db2.gz SFMJNCUKPRACHX-INIZCTEOSA-N 2 1 347.503 2.602 20 10 EFCDMP CCN1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cc2F)CC1 ZINC000817902641 1276366882 /nfs/dbraw/zinc/36/68/82/1276366882.db2.gz VVKUIMFIBWJEAN-HKUYNNGSSA-N 2 1 348.510 2.575 20 10 EFCDMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817937328 1276383510 /nfs/dbraw/zinc/38/35/10/1276383510.db2.gz YCSSUADAYNLYCS-SJORKVTESA-N 2 1 339.430 2.551 20 10 EFCDMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817946338 1276390556 /nfs/dbraw/zinc/39/05/56/1276390556.db2.gz WSXZGYCIOFWUBM-GJZGRUSLSA-N 2 1 337.895 2.827 20 10 EFCDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817983220 1276420923 /nfs/dbraw/zinc/42/09/23/1276420923.db2.gz ZRRHGWVHSIOOGV-KDOFPFPSSA-N 2 1 335.467 2.830 20 10 EFCDMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(O)c1 ZINC000844902541 1279324159 /nfs/dbraw/zinc/32/41/59/1279324159.db2.gz OWKBGZLTGCPXIB-FCEWJHQRSA-N 2 1 334.460 2.509 20 10 EFCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000844902454 1279324949 /nfs/dbraw/zinc/32/49/49/1279324949.db2.gz MYINEGWICGNXKF-BJLQDIEVSA-N 2 1 331.504 2.779 20 10 EFCDMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1O ZINC000844902463 1279325341 /nfs/dbraw/zinc/32/53/41/1279325341.db2.gz NCZLMNPZUXLALN-LESCRADOSA-N 2 1 334.460 2.509 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000793609688 1279772671 /nfs/dbraw/zinc/77/26/71/1279772671.db2.gz REFUQLMYSPVKKI-UXHICEINSA-N 2 1 329.488 2.582 20 10 EFCDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](CC)CO1 ZINC000846026759 1279986235 /nfs/dbraw/zinc/98/62/35/1279986235.db2.gz HFOZHTYOMCBDHH-ICSRJNTNSA-N 2 1 331.504 2.828 20 10 EFCDMP COc1cccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1O ZINC000846145507 1280052201 /nfs/dbraw/zinc/05/22/01/1280052201.db2.gz OELFYEURQFJCCZ-GOEBONIOSA-N 2 1 334.460 2.695 20 10 EFCDMP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001146600031 1280947945 /nfs/dbraw/zinc/94/79/45/1280947945.db2.gz DSUSHHMOUBVLAQ-DLBZAZTESA-N 2 1 349.519 2.717 20 10 EFCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1O ZINC000808679827 1281840456 /nfs/dbraw/zinc/84/04/56/1281840456.db2.gz BMGTWLUVEGHHDO-CYBMUJFWSA-N 2 1 326.868 2.851 20 10 EFCDMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815577158 1287608733 /nfs/dbraw/zinc/60/87/33/1287608733.db2.gz IBBBPWTYYMGWTK-MJGOQNOKSA-N 2 1 328.456 2.578 20 10 EFCDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815616175 1287639341 /nfs/dbraw/zinc/63/93/41/1287639341.db2.gz IBWPXXLXYWLCOX-FPOVZHCZSA-N 2 1 340.467 2.722 20 10 EFCDMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815616175 1287639347 /nfs/dbraw/zinc/63/93/47/1287639347.db2.gz IBWPXXLXYWLCOX-FPOVZHCZSA-N 2 1 340.467 2.722 20 10 EFCDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206196401 1286486803 /nfs/dbraw/zinc/48/68/03/1286486803.db2.gz BZMCLYDWXCAMBS-QWHCGFSZSA-N 2 1 331.229 2.724 20 10 EFCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206196401 1286486807 /nfs/dbraw/zinc/48/68/07/1286486807.db2.gz BZMCLYDWXCAMBS-QWHCGFSZSA-N 2 1 331.229 2.724 20 10 EFCDMP Cc1cc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206196402 1286486872 /nfs/dbraw/zinc/48/68/72/1286486872.db2.gz BZMCLYDWXCAMBS-STQMWFEESA-N 2 1 331.229 2.724 20 10 EFCDMP Cc1cc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206196402 1286486877 /nfs/dbraw/zinc/48/68/77/1286486877.db2.gz BZMCLYDWXCAMBS-STQMWFEESA-N 2 1 331.229 2.724 20 10 EFCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1O ZINC001232361980 1312687795 /nfs/dbraw/zinc/68/77/95/1312687795.db2.gz HORFXSVJIJHTSY-UHFFFAOYSA-N 2 1 340.471 2.561 20 10 EFCDMP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(Br)c(F)cc1O ZINC000774383611 1290193717 /nfs/dbraw/zinc/19/37/17/1290193717.db2.gz ZCYRZIOXECLZOL-SNVBAGLBSA-N 2 1 349.244 2.523 20 10 EFCDMP CN(C)c1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c(O)c1 ZINC001232840519 1312792972 /nfs/dbraw/zinc/79/29/72/1312792972.db2.gz YXKNDOSXNMXFKO-UHFFFAOYSA-N 2 1 335.467 2.857 20 10 EFCDMP COc1ccc(C[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C)cc1C ZINC001166744145 1312833263 /nfs/dbraw/zinc/83/32/63/1312833263.db2.gz JQWOQVNLVUWNRM-UHFFFAOYSA-N 2 1 349.519 2.577 20 10 EFCDMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(O)c1 ZINC000877191469 1291161148 /nfs/dbraw/zinc/16/11/48/1291161148.db2.gz WIJMFOKNFPXXJJ-LJQANCHMSA-N 2 1 326.440 2.557 20 10 EFCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877528294 1291262289 /nfs/dbraw/zinc/26/22/89/1291262289.db2.gz XSEJYYGZHHCGLF-UHFFFAOYSA-N 2 1 345.531 2.956 20 10 EFCDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c(C)cccc3O)CC2)CC1 ZINC000877596483 1291286261 /nfs/dbraw/zinc/28/62/61/1291286261.db2.gz SQNVZLSVYHJCLD-UHFFFAOYSA-N 2 1 331.504 2.693 20 10 EFCDMP CC[N@@H+]1C[C@H]2CN(Cc3cc(Br)cc(C)c3O)C[C@H]2C1 ZINC001233111531 1312856593 /nfs/dbraw/zinc/85/65/93/1312856593.db2.gz SGAAHFLUOXVTMU-OKILXGFUSA-N 2 1 339.277 2.847 20 10 EFCDMP COc1cc(Cl)cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1O ZINC001233287290 1312896458 /nfs/dbraw/zinc/89/64/58/1312896458.db2.gz GPPIHNFYQJSCQL-UHFFFAOYSA-N 2 1 333.819 2.771 20 10 EFCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1O)C2 ZINC001203552944 1312955055 /nfs/dbraw/zinc/95/50/55/1312955055.db2.gz WFABVZBLMMIZLN-QUCCMNQESA-N 2 1 330.472 2.573 20 10 EFCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001203552944 1312955058 /nfs/dbraw/zinc/95/50/58/1312955058.db2.gz WFABVZBLMMIZLN-QUCCMNQESA-N 2 1 330.472 2.573 20 10 EFCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001203552944 1312955062 /nfs/dbraw/zinc/95/50/62/1312955062.db2.gz WFABVZBLMMIZLN-QUCCMNQESA-N 2 1 330.472 2.573 20 10 EFCDMP CCOc1cccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1O ZINC001203614124 1312971143 /nfs/dbraw/zinc/97/11/43/1312971143.db2.gz POGLFVZULCDPPG-UHFFFAOYSA-N 2 1 348.487 2.866 20 10 EFCDMP CCOc1cccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1O ZINC001203614124 1312971148 /nfs/dbraw/zinc/97/11/48/1312971148.db2.gz POGLFVZULCDPPG-UHFFFAOYSA-N 2 1 348.487 2.866 20 10 EFCDMP CC[N@@H+]1C[C@H]2CN(Cc3cccc(OC(F)(F)F)c3O)C[C@H]2C1 ZINC001233775728 1312989489 /nfs/dbraw/zinc/98/94/89/1312989489.db2.gz BIWUXTWCTWYMJP-BETUJISGSA-N 2 1 330.350 2.674 20 10 EFCDMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233775728 1312989493 /nfs/dbraw/zinc/98/94/93/1312989493.db2.gz BIWUXTWCTWYMJP-BETUJISGSA-N 2 1 330.350 2.674 20 10 EFCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233775728 1312989495 /nfs/dbraw/zinc/98/94/95/1312989495.db2.gz BIWUXTWCTWYMJP-BETUJISGSA-N 2 1 330.350 2.674 20 10 EFCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233775728 1312989499 /nfs/dbraw/zinc/98/94/99/1312989499.db2.gz BIWUXTWCTWYMJP-BETUJISGSA-N 2 1 330.350 2.674 20 10 EFCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233775728 1312989502 /nfs/dbraw/zinc/98/95/02/1312989502.db2.gz BIWUXTWCTWYMJP-BETUJISGSA-N 2 1 330.350 2.674 20 10 EFCDMP COCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000775656608 1293919583 /nfs/dbraw/zinc/91/95/83/1293919583.db2.gz KWCUOCNUKVWOMJ-UHFFFAOYSA-N 2 1 331.504 2.829 20 10 EFCDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716691 1294232922 /nfs/dbraw/zinc/23/29/22/1294232922.db2.gz LBXJJCTXSKXGEN-HXUWFJFHSA-N 3 1 344.547 2.745 20 10 EFCDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716691 1294232926 /nfs/dbraw/zinc/23/29/26/1294232926.db2.gz LBXJJCTXSKXGEN-HXUWFJFHSA-N 3 1 344.547 2.745 20 10 EFCDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716691 1294232932 /nfs/dbraw/zinc/23/29/32/1294232932.db2.gz LBXJJCTXSKXGEN-HXUWFJFHSA-N 3 1 344.547 2.745 20 10 EFCDMP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716691 1294232937 /nfs/dbraw/zinc/23/29/37/1294232937.db2.gz LBXJJCTXSKXGEN-HXUWFJFHSA-N 2 1 344.547 2.745 20 10 EFCDMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716691 1294232942 /nfs/dbraw/zinc/23/29/42/1294232942.db2.gz LBXJJCTXSKXGEN-HXUWFJFHSA-N 2 1 344.547 2.745 20 10 EFCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1c(O)cccc1F ZINC000886587661 1295035745 /nfs/dbraw/zinc/03/57/45/1295035745.db2.gz CKYSSJCNTBTWJR-PBHICJAKSA-N 2 1 344.430 2.949 20 10 EFCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1c(O)cccc1F ZINC000886587661 1295035757 /nfs/dbraw/zinc/03/57/57/1295035757.db2.gz CKYSSJCNTBTWJR-PBHICJAKSA-N 2 1 344.430 2.949 20 10 EFCDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000105477003 1296111862 /nfs/dbraw/zinc/11/18/62/1296111862.db2.gz LHENPHOIEQKBMC-UHFFFAOYSA-N 2 1 344.547 2.794 20 10 EFCDMP Cc1c(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001235008754 1313222967 /nfs/dbraw/zinc/22/29/67/1313222967.db2.gz QPZQTSXMXOZFDR-FQEVSTJZSA-N 2 1 327.472 2.689 20 10 EFCDMP Cc1c(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001235008754 1313222969 /nfs/dbraw/zinc/22/29/69/1313222969.db2.gz QPZQTSXMXOZFDR-FQEVSTJZSA-N 2 1 327.472 2.689 20 10 EFCDMP Oc1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275267350 1296245952 /nfs/dbraw/zinc/24/59/52/1296245952.db2.gz MAPIHVYZMIMIOS-HXUWFJFHSA-N 2 1 340.471 2.577 20 10 EFCDMP Oc1ccccc1C[NH+]1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275267350 1296245968 /nfs/dbraw/zinc/24/59/68/1296245968.db2.gz MAPIHVYZMIMIOS-HXUWFJFHSA-N 2 1 340.471 2.577 20 10 EFCDMP Oc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275267350 1296245973 /nfs/dbraw/zinc/24/59/73/1296245973.db2.gz MAPIHVYZMIMIOS-HXUWFJFHSA-N 2 1 340.471 2.577 20 10 EFCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(C)(C)C)c1O ZINC001275802925 1296413561 /nfs/dbraw/zinc/41/35/61/1296413561.db2.gz PHWKGJYGDSIJRT-HDICACEKSA-N 2 1 345.531 2.900 20 10 EFCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001205266420 1313262321 /nfs/dbraw/zinc/26/23/21/1313262321.db2.gz UIGPMOSAIXYKEC-HXUWFJFHSA-N 2 1 329.488 2.794 20 10 EFCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235408521 1313314793 /nfs/dbraw/zinc/31/47/93/1313314793.db2.gz UJVVMIJHNYBBCW-GJZGRUSLSA-N 2 1 332.341 2.935 20 10 EFCDMP CN1CCOc2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc21 ZINC001235424343 1313317983 /nfs/dbraw/zinc/31/79/83/1313317983.db2.gz HBSLPTUWVQGGAF-MSOLQXFVSA-N 2 1 329.488 2.727 20 10 EFCDMP Cc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)c(O)cc1Br ZINC001235431874 1313319824 /nfs/dbraw/zinc/31/98/24/1313319824.db2.gz DSBUASQIMXJCCH-UHFFFAOYSA-N 2 1 327.266 2.895 20 10 EFCDMP Cc1cc(Br)cc(C[N@@H+](C)CC2CC[NH2+]CC2)c1O ZINC001235433738 1313320726 /nfs/dbraw/zinc/32/07/26/1313320726.db2.gz NWLOWOWMFTVYDU-UHFFFAOYSA-N 2 1 327.266 2.895 20 10 EFCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205673405 1313335221 /nfs/dbraw/zinc/33/52/21/1313335221.db2.gz QJDQNQSWWZVEQB-FQEVSTJZSA-N 2 1 327.472 2.770 20 10 EFCDMP C[C@@H]1CC[N@@H+](Cc2cc(O)c(Br)cc2O)CC[C@H]1C[NH3+] ZINC001205651126 1313331064 /nfs/dbraw/zinc/33/10/64/1313331064.db2.gz AIWFVKOZDFLMHE-MNOVXSKESA-N 2 1 343.265 2.667 20 10 EFCDMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001205904888 1313373791 /nfs/dbraw/zinc/37/37/91/1313373791.db2.gz XXZVFCOVAAKJHZ-GOEBONIOSA-N 2 1 329.488 2.650 20 10 EFCDMP C[C@H]1C[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CCC[C@@H]1C[NH3+] ZINC001205991403 1313387595 /nfs/dbraw/zinc/38/75/95/1313387595.db2.gz AOJALUVMGXOSMN-DOTOQJQBSA-N 2 1 343.515 2.898 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c2ccccc2n1C ZINC001206012259 1313391278 /nfs/dbraw/zinc/39/12/78/1313391278.db2.gz JIKFFQJTGRBZML-HUUCEWRRSA-N 2 1 343.471 2.772 20 10 EFCDMP C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235839251 1313406884 /nfs/dbraw/zinc/40/68/84/1313406884.db2.gz PKKVUGIMOAKRLJ-UHFFFAOYSA-N 2 1 327.447 2.910 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2ccccc2n1C ZINC001206197893 1313419603 /nfs/dbraw/zinc/41/96/03/1313419603.db2.gz KCCVLSYCBUAMTF-HOTGVXAUSA-N 2 1 347.434 2.616 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2ccccc2n1C ZINC001206197893 1313419606 /nfs/dbraw/zinc/41/96/06/1313419606.db2.gz KCCVLSYCBUAMTF-HOTGVXAUSA-N 2 1 347.434 2.616 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2ccccc2n1C ZINC001206197894 1313419928 /nfs/dbraw/zinc/41/99/28/1313419928.db2.gz KCCVLSYCBUAMTF-HZPDHXFCSA-N 2 1 347.434 2.616 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2ccccc2n1C ZINC001206197894 1313419931 /nfs/dbraw/zinc/41/99/31/1313419931.db2.gz KCCVLSYCBUAMTF-HZPDHXFCSA-N 2 1 347.434 2.616 20 10 EFCDMP COCC[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)C1CC[NH2+]CC1 ZINC001235942481 1313421289 /nfs/dbraw/zinc/42/12/89/1313421289.db2.gz DNEXRGIVPSGQKC-UHFFFAOYSA-N 2 1 343.515 2.586 20 10 EFCDMP CCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(O)c1 ZINC001236009215 1313430916 /nfs/dbraw/zinc/43/09/16/1313430916.db2.gz AZIDDDHSQHGZSR-NQIIRXRSSA-N 2 1 338.451 2.764 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)cc2)CC1 ZINC001206311394 1313434555 /nfs/dbraw/zinc/43/45/55/1313434555.db2.gz NMCLJFURWNLFBE-NRFANRHFSA-N 3 1 344.547 2.779 20 10 EFCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)cc1 ZINC001236073427 1313437871 /nfs/dbraw/zinc/43/78/71/1313437871.db2.gz MZBDLBMHMHYKQM-OAQYLSRUSA-N 2 1 338.499 2.701 20 10 EFCDMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001206344680 1313439043 /nfs/dbraw/zinc/43/90/43/1313439043.db2.gz WOMSKMGQHXINJF-HXUWFJFHSA-N 2 1 347.478 2.744 20 10 EFCDMP Oc1cc2c(cc1C[N@H+]1CCSc3ccccc3C1)C[NH2+]CCO2 ZINC001236241176 1313460101 /nfs/dbraw/zinc/46/01/01/1313460101.db2.gz QPHZSAVLXFJGIY-UHFFFAOYSA-N 2 1 342.464 2.982 20 10 EFCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001206554032 1313474802 /nfs/dbraw/zinc/47/48/02/1313474802.db2.gz AKMVCNOJCBOLFJ-FQEVSTJZSA-N 2 1 331.504 2.599 20 10 EFCDMP CC[N@H+](Cc1cc(Br)cc(C)c1O)C[C@@H]1CC[NH2+]C1 ZINC001236409164 1313476918 /nfs/dbraw/zinc/47/69/18/1313476918.db2.gz SJURGPZNUMZFRH-GFCCVEGCSA-N 2 1 327.266 2.895 20 10 EFCDMP O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236434831 1313481176 /nfs/dbraw/zinc/48/11/76/1313481176.db2.gz WVPKVSCEWHITIE-HXUWFJFHSA-N 2 1 349.478 2.801 20 10 EFCDMP COC(=O)c1c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c2ccccc2n1C ZINC001206770127 1313504141 /nfs/dbraw/zinc/50/41/41/1313504141.db2.gz RGNMWKIHZAOTPL-UONOGXRCSA-N 2 1 329.444 2.524 20 10 EFCDMP COC(=O)c1c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c2ccccc2n1C ZINC001206770127 1313504143 /nfs/dbraw/zinc/50/41/43/1313504143.db2.gz RGNMWKIHZAOTPL-UONOGXRCSA-N 2 1 329.444 2.524 20 10 EFCDMP Cc1cc(Br)c(O)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1 ZINC001236668415 1313506893 /nfs/dbraw/zinc/50/68/93/1313506893.db2.gz DFLKWGWNLASNMX-UHFFFAOYSA-N 2 1 339.277 2.991 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c2ccccc2n1C ZINC001206811153 1313514668 /nfs/dbraw/zinc/51/46/68/1313514668.db2.gz QYXDJNTVEZVKLV-HUUCEWRRSA-N 2 1 343.471 2.914 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c2ccccc2n1C ZINC001206811153 1313514670 /nfs/dbraw/zinc/51/46/70/1313514670.db2.gz QYXDJNTVEZVKLV-HUUCEWRRSA-N 2 1 343.471 2.914 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)cc1OC ZINC001236753131 1313522329 /nfs/dbraw/zinc/52/23/29/1313522329.db2.gz HDYZFHPGBWQTIU-HNNXBMFYSA-N 2 1 344.411 2.766 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001236753131 1313522331 /nfs/dbraw/zinc/52/23/31/1313522331.db2.gz HDYZFHPGBWQTIU-HNNXBMFYSA-N 2 1 344.411 2.766 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001236753131 1313522332 /nfs/dbraw/zinc/52/23/32/1313522332.db2.gz HDYZFHPGBWQTIU-HNNXBMFYSA-N 2 1 344.411 2.766 20 10 EFCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(OCc4ccccc4)ccc3O)C[C@@H]2C1 ZINC001236787643 1313529438 /nfs/dbraw/zinc/52/94/38/1313529438.db2.gz BNFKEWXZJFFAFZ-KDURUIRLSA-N 2 1 338.451 2.965 20 10 EFCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(OCc4ccccc4)ccc3O)C[C@@H]2C1 ZINC001236787643 1313529441 /nfs/dbraw/zinc/52/94/41/1313529441.db2.gz BNFKEWXZJFFAFZ-KDURUIRLSA-N 2 1 338.451 2.965 20 10 EFCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(OCc4ccccc4)ccc3O)C[C@@H]2C1 ZINC001236787643 1313529445 /nfs/dbraw/zinc/52/94/45/1313529445.db2.gz BNFKEWXZJFFAFZ-KDURUIRLSA-N 2 1 338.451 2.965 20 10 EFCDMP CCC[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C[C@H]1CC[NH2+]C1 ZINC001236835676 1313538346 /nfs/dbraw/zinc/53/83/46/1313538346.db2.gz OQHIKFKBSMMLHG-INIZCTEOSA-N 2 1 343.515 2.913 20 10 EFCDMP CN1CCN(c2ccc(CN3CC[C@](C)(F)[C@@H](F)C3)c(F)c2)CC1 ZINC001236932102 1313555955 /nfs/dbraw/zinc/55/59/55/1313555955.db2.gz NSJDYSMVUWTNLX-ROUUACIJSA-N 2 1 341.421 2.850 20 10 EFCDMP COCC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236940436 1313557212 /nfs/dbraw/zinc/55/72/12/1313557212.db2.gz QZXFGJCURZEHIO-SFHVURJKSA-N 2 1 349.494 2.969 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4CCCO[C@@H]4C3)c(F)c2)CC1 ZINC001236935215 1313557406 /nfs/dbraw/zinc/55/74/06/1313557406.db2.gz GMOAOLGFVSNSRE-OXQOHEQNSA-N 2 1 347.478 2.578 20 10 EFCDMP Fc1cc2c(cc1F)C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001237191652 1313602554 /nfs/dbraw/zinc/60/25/54/1313602554.db2.gz POZCXZZVCAZZER-UHFFFAOYSA-N 2 1 343.421 2.933 20 10 EFCDMP Fc1cc2c(cc1F)C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001237191652 1313602558 /nfs/dbraw/zinc/60/25/58/1313602558.db2.gz POZCXZZVCAZZER-UHFFFAOYSA-N 2 1 343.421 2.933 20 10 EFCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@@H]1Cc2ccccc2O1 ZINC001237266740 1313614600 /nfs/dbraw/zinc/61/46/00/1313614600.db2.gz ZJGKGLSPJXWLCK-FQEVSTJZSA-N 2 1 337.467 2.532 20 10 EFCDMP CCOc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1O ZINC000863645889 1302668352 /nfs/dbraw/zinc/66/83/52/1302668352.db2.gz DQKGBCIBOOSDBZ-CHWSQXEVSA-N 2 1 332.366 2.750 20 10 EFCDMP Oc1c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cccc1-c1ccccc1 ZINC001222099552 1311085242 /nfs/dbraw/zinc/08/52/42/1311085242.db2.gz HLCQYSSUVANIJN-UHFFFAOYSA-N 2 1 337.467 2.587 20 10 EFCDMP Cc1cc(O)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC001222629141 1311163646 /nfs/dbraw/zinc/16/36/46/1311163646.db2.gz BDJBYSHAAAQXPG-BETUJISGSA-N 2 1 339.277 2.895 20 10 EFCDMP Cc1cc(F)cc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1O ZINC001277518876 1312498130 /nfs/dbraw/zinc/49/81/30/1312498130.db2.gz DGYRQZGUIMJHFQ-UHFFFAOYSA-N 2 1 344.434 2.661 20 10 EFCDMP Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1O ZINC001277519884 1312499947 /nfs/dbraw/zinc/49/99/47/1312499947.db2.gz PNIQNTZAKMSTEK-FQEVSTJZSA-N 2 1 349.494 2.689 20 10 EFCDMP Cc1cc(C)c(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c(O)c1 ZINC001231845105 1312573305 /nfs/dbraw/zinc/57/33/05/1312573305.db2.gz VLINMDMIFJEROD-HDICACEKSA-N 2 1 337.467 2.968 20 10 EFCDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc2ccccc2c1O ZINC001231882255 1312579745 /nfs/dbraw/zinc/57/97/45/1312579745.db2.gz OJLSEQLMTCAJPZ-UHFFFAOYSA-N 2 1 344.455 2.862 20 10 EFCDMP CCCC[C@@H]1C[C@H](NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC001246184727 1314594776 /nfs/dbraw/zinc/59/47/76/1314594776.db2.gz OOXLKLXQHRVXFZ-WOJBJXKFSA-N 2 1 344.547 2.839 20 10 EFCDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccc4ccccc4c3O)[C@@H]2C1 ZINC001276374568 1314622409 /nfs/dbraw/zinc/62/24/09/1314622409.db2.gz YVKMOIRWCUSWOH-FXAWDEMLSA-N 2 1 339.483 2.613 20 10 EFCDMP COc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)cc1 ZINC001246521761 1314641153 /nfs/dbraw/zinc/64/11/53/1314641153.db2.gz QREIVDICJNHATB-PKOBYXMFSA-N 2 1 331.504 2.984 20 10 EFCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3O)C=CC(C)(C)O4)C[C@@H]2C1 ZINC001249230643 1315036481 /nfs/dbraw/zinc/03/64/81/1315036481.db2.gz OJUGMXBIMZHTOV-ZBFHGGJFSA-N 2 1 328.456 2.960 20 10 EFCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3O)C=CC(C)(C)O4)C[C@@H]2C1 ZINC001249230643 1315036483 /nfs/dbraw/zinc/03/64/83/1315036483.db2.gz OJUGMXBIMZHTOV-ZBFHGGJFSA-N 2 1 328.456 2.960 20 10 EFCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3O)C=CC(C)(C)O4)C[C@@H]2C1 ZINC001249230643 1315036486 /nfs/dbraw/zinc/03/64/86/1315036486.db2.gz OJUGMXBIMZHTOV-ZBFHGGJFSA-N 2 1 328.456 2.960 20 10 EFCDMP Cc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)cc1Br ZINC001250133981 1315177301 /nfs/dbraw/zinc/17/73/01/1315177301.db2.gz SVDDPDKWVHSAKP-MRXNPFEDSA-N 2 1 339.277 2.991 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccc(O)cc3)cc2F)CC1 ZINC001318419028 1328583040 /nfs/dbraw/zinc/58/30/40/1328583040.db2.gz DGZUWDYYCCNOAT-UHFFFAOYSA-N 2 1 343.446 2.615 20 10 EFCDMP CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c(O)c1 ZINC001276815227 1315438297 /nfs/dbraw/zinc/43/82/97/1315438297.db2.gz QENPOURNOZUABZ-OALUTQOASA-N 2 1 331.504 2.726 20 10 EFCDMP Cc1cc(C)c(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC001252949891 1315541790 /nfs/dbraw/zinc/54/17/90/1315541790.db2.gz XIVSBBXBBUHLQU-NRFANRHFSA-N 2 1 340.467 2.736 20 10 EFCDMP Cc1cc(C)c(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC001252949891 1315541793 /nfs/dbraw/zinc/54/17/93/1315541793.db2.gz XIVSBBXBBUHLQU-NRFANRHFSA-N 2 1 340.467 2.736 20 10 EFCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256076696 1315901320 /nfs/dbraw/zinc/90/13/20/1315901320.db2.gz IITIRUQRVHKDSG-UHFFFAOYSA-N 2 1 329.488 2.582 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256076696 1315901323 /nfs/dbraw/zinc/90/13/23/1315901323.db2.gz IITIRUQRVHKDSG-UHFFFAOYSA-N 2 1 329.488 2.582 20 10 EFCDMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001257042156 1316024213 /nfs/dbraw/zinc/02/42/13/1316024213.db2.gz ZDTRQGJMKKWSQZ-MAUKXSAKSA-N 2 1 346.471 2.678 20 10 EFCDMP COC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001257858116 1316098044 /nfs/dbraw/zinc/09/80/44/1316098044.db2.gz IHUYJEIAEZKVBW-UHFFFAOYSA-N 2 1 346.471 2.678 20 10 EFCDMP COc1cc(O)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000827948649 1316175947 /nfs/dbraw/zinc/17/59/47/1316175947.db2.gz ILOJWCSLQBBWCC-OAHLLOKOSA-N 2 1 334.460 2.621 20 10 EFCDMP CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(C)C ZINC001318802836 1328705133 /nfs/dbraw/zinc/70/51/33/1328705133.db2.gz AGSVJBBYACIYLF-QUCCMNQESA-N 2 1 349.494 2.871 20 10 EFCDMP CSC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319717104 1328962486 /nfs/dbraw/zinc/96/24/86/1328962486.db2.gz LAMCANOFMGXJGO-INIZCTEOSA-N 2 1 337.508 2.905 20 10 EFCDMP CSC[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319717104 1328962493 /nfs/dbraw/zinc/96/24/93/1328962493.db2.gz LAMCANOFMGXJGO-INIZCTEOSA-N 2 1 337.508 2.905 20 10 EFCDMP CN1CCN(c2ccc(C[N@@H+](C[C@@H]3CCOC3)C3CC3)cc2F)CC1 ZINC001319798862 1328993249 /nfs/dbraw/zinc/99/32/49/1328993249.db2.gz OVKZRBHYSMLACX-KRWDZBQOSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+](C[C@@H]3CCOC3)C3CC3)cc2F)CC1 ZINC001319798862 1328993256 /nfs/dbraw/zinc/99/32/56/1328993256.db2.gz OVKZRBHYSMLACX-KRWDZBQOSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+](C[C@@H]3CCOC3)C3CC3)cc2F)CC1 ZINC001319798862 1328993260 /nfs/dbraw/zinc/99/32/60/1328993260.db2.gz OVKZRBHYSMLACX-KRWDZBQOSA-N 2 1 347.478 2.578 20 10 EFCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC001320245947 1329105625 /nfs/dbraw/zinc/10/56/25/1329105625.db2.gz KNUHNWLWMPXBMX-SJORKVTESA-N 2 1 331.504 2.866 20 10 EFCDMP CC[C@@]1(CO)CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320487828 1329143395 /nfs/dbraw/zinc/14/33/95/1329143395.db2.gz WEKKUORPQMUILZ-HXUWFJFHSA-N 2 1 349.494 2.562 20 10 EFCDMP CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320487828 1329143399 /nfs/dbraw/zinc/14/33/99/1329143399.db2.gz WEKKUORPQMUILZ-HXUWFJFHSA-N 2 1 349.494 2.562 20 10 EFCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCCO1 ZINC001320487031 1329143545 /nfs/dbraw/zinc/14/35/45/1329143545.db2.gz KXFLQHUPKQREBS-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCCO1 ZINC001320487031 1329143547 /nfs/dbraw/zinc/14/35/47/1329143547.db2.gz KXFLQHUPKQREBS-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N3CCCC3)cc2)CCCO1 ZINC001320785218 1329301946 /nfs/dbraw/zinc/30/19/46/1329301946.db2.gz BDKXPROORIGYEV-GOSISDBHSA-N 2 1 331.504 2.877 20 10 EFCDMP C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322338440 1329449036 /nfs/dbraw/zinc/44/90/36/1329449036.db2.gz KHYPVVCSJTZLMQ-SJLPKXTDSA-N 2 1 349.494 2.703 20 10 EFCDMP C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322338440 1329449038 /nfs/dbraw/zinc/44/90/38/1329449038.db2.gz KHYPVVCSJTZLMQ-SJLPKXTDSA-N 2 1 349.494 2.703 20 10 EFCDMP C[C@H](CO)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CCC1 ZINC001323764872 1329569228 /nfs/dbraw/zinc/56/92/28/1329569228.db2.gz WXHRAIDHZDTFNP-MRXNPFEDSA-N 2 1 349.494 2.560 20 10 EFCDMP C[C@H](CO)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CCC1 ZINC001323764872 1329569231 /nfs/dbraw/zinc/56/92/31/1329569231.db2.gz WXHRAIDHZDTFNP-MRXNPFEDSA-N 2 1 349.494 2.560 20 10 EFCDMP CCC[C@]1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCOC1 ZINC001325660352 1329704456 /nfs/dbraw/zinc/70/44/56/1329704456.db2.gz PCXNSPNFTRGXLT-IBGZPJMESA-N 2 1 335.467 2.626 20 10 EFCDMP CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)OC ZINC001326446325 1329757510 /nfs/dbraw/zinc/75/75/10/1329757510.db2.gz LILOGTMLUQSUHY-DNVCBOLYSA-N 2 1 337.483 2.728 20 10 EFCDMP CC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCO1 ZINC001326996684 1330396648 /nfs/dbraw/zinc/39/66/48/1330396648.db2.gz KWGCYCCPVGTNEH-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCO1 ZINC001326996684 1330396657 /nfs/dbraw/zinc/39/66/57/1330396657.db2.gz KWGCYCCPVGTNEH-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001327839646 1330520747 /nfs/dbraw/zinc/52/07/47/1330520747.db2.gz JRXYOUBCVOCUCD-ZIAGYGMSSA-N 2 1 325.884 2.683 20 10 EFCDMP COCC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCC1 ZINC001327970644 1330536627 /nfs/dbraw/zinc/53/66/27/1330536627.db2.gz GXJXHFGXLZVLEI-UHFFFAOYSA-N 2 1 349.494 2.874 20 10 EFCDMP CO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C12CCC2 ZINC001331469288 1330840898 /nfs/dbraw/zinc/84/08/98/1330840898.db2.gz GUDIAUQXUUACRU-MOPGFXCFSA-N 2 1 347.478 2.625 20 10 EFCDMP C[NH+]1CCN(c2ccc(CNc3ccccc3C[NH3+])cc2F)CC1 ZINC001336284749 1331455229 /nfs/dbraw/zinc/45/52/29/1331455229.db2.gz CNLSLKLEEBTUPS-UHFFFAOYSA-N 2 1 328.435 2.648 20 10 EFCDMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001338734684 1331731261 /nfs/dbraw/zinc/73/12/61/1331731261.db2.gz FDCFWCYZCZDPGM-QINHECLXSA-N 2 1 349.494 2.559 20 10 EFCDMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001338734684 1331731262 /nfs/dbraw/zinc/73/12/62/1331731262.db2.gz FDCFWCYZCZDPGM-QINHECLXSA-N 2 1 349.494 2.559 20 10 EFCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001341604224 1332270582 /nfs/dbraw/zinc/27/05/82/1332270582.db2.gz GMLCXCFLKJIDTI-NJDAHSKKSA-N 2 1 343.515 2.970 20 10 EFCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001341604226 1332270725 /nfs/dbraw/zinc/27/07/25/1332270725.db2.gz GMLCXCFLKJIDTI-QHAWAJNXSA-N 2 1 343.515 2.970 20 10 EFCDMP CCC[C@@]1(CO)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001347236596 1332726239 /nfs/dbraw/zinc/72/62/39/1332726239.db2.gz AEUXOXDJNOEPJQ-HXUWFJFHSA-N 2 1 349.494 2.562 20 10 EFCDMP CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001347236596 1332726241 /nfs/dbraw/zinc/72/62/41/1332726241.db2.gz AEUXOXDJNOEPJQ-HXUWFJFHSA-N 2 1 349.494 2.562 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@H](O)C3CCCC3)cc2F)CC1 ZINC001348547594 1332846987 /nfs/dbraw/zinc/84/69/87/1332846987.db2.gz FOEGEPCMJRDYFD-FQEVSTJZSA-N 2 1 349.494 2.608 20 10 EFCDMP C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001349838231 1333003677 /nfs/dbraw/zinc/00/36/77/1333003677.db2.gz HMXPENOGWPODOR-MRXNPFEDSA-N 2 1 342.462 2.693 20 10 EFCDMP C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001352098440 1333385381 /nfs/dbraw/zinc/38/53/81/1333385381.db2.gz HKSJOIGDYXYWFP-MRXNPFEDSA-N 2 1 342.462 2.693 20 10 EFCDMP c1csc(SCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000848529330 1334775789 /nfs/dbraw/zinc/77/57/89/1334775789.db2.gz SIZKTVQEDRRODJ-HNNXBMFYSA-N 2 1 341.546 2.858 20 10 EFCDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)C[C@H]21 ZINC000300416823 713399460 /nfs/dbraw/zinc/39/94/60/713399460.db2.gz DSRUDECEUIWUIX-LERXQTSPSA-N 2 1 325.250 2.714 20 10 EFCDMP COC1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC001578940865 1090483791 /nfs/dbraw/zinc/48/37/91/1090483791.db2.gz LJWJMCMVJNMGRN-DZFGPLHGSA-N 2 1 343.515 2.861 20 10 EFCDMP CC(C)Nc1cc[nH+]c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167423018 1101574892 /nfs/dbraw/zinc/57/48/92/1101574892.db2.gz KANBVPLWIQTNID-UHFFFAOYSA-N 2 1 340.475 2.661 20 10 EFCDMP CC(C)(C)CC[C@H]([NH3+])C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000904359566 1107841174 /nfs/dbraw/zinc/84/11/74/1107841174.db2.gz BTYQVUFQCOPTIK-INIZCTEOSA-N 2 1 337.483 2.906 20 10 EFCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000237574509 1112525882 /nfs/dbraw/zinc/52/58/82/1112525882.db2.gz HYXSZRLYFSOMEL-OAHLLOKOSA-N 2 1 346.450 2.593 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000160459022 239050370 /nfs/dbraw/zinc/05/03/70/239050370.db2.gz VZUDEJVNIXEDLJ-RHSMWYFYSA-N 2 1 346.471 2.858 20 10 EFCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000160459022 239050380 /nfs/dbraw/zinc/05/03/80/239050380.db2.gz VZUDEJVNIXEDLJ-RHSMWYFYSA-N 2 1 346.471 2.858 20 10 EFCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000160459022 239050382 /nfs/dbraw/zinc/05/03/82/239050382.db2.gz VZUDEJVNIXEDLJ-RHSMWYFYSA-N 2 1 346.471 2.858 20 10 EFCDMP CCOc1ccc(O)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c1 ZINC000294120179 241034197 /nfs/dbraw/zinc/03/41/97/241034197.db2.gz TWAPWQUTKSYORM-JWTNVVGKSA-N 2 1 348.487 2.865 20 10 EFCDMP CCOc1ccc(O)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c1 ZINC000294120179 241034203 /nfs/dbraw/zinc/03/42/03/241034203.db2.gz TWAPWQUTKSYORM-JWTNVVGKSA-N 2 1 348.487 2.865 20 10 EFCDMP CCOc1ccc(O)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1 ZINC000294120179 241034208 /nfs/dbraw/zinc/03/42/08/241034208.db2.gz TWAPWQUTKSYORM-JWTNVVGKSA-N 2 1 348.487 2.865 20 10 EFCDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N2CCOCC2)c(F)c1 ZINC000295908687 241067535 /nfs/dbraw/zinc/06/75/35/241067535.db2.gz JBDZSUCYZHQNTC-CCNLRDMRSA-N 2 1 347.478 2.938 20 10 EFCDMP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1O ZINC000131843792 472697283 /nfs/dbraw/zinc/69/72/83/472697283.db2.gz UEFOTFGNRLVJBW-MRXNPFEDSA-N 2 1 330.359 2.782 20 10 EFCDMP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1O ZINC000131843792 472697289 /nfs/dbraw/zinc/69/72/89/472697289.db2.gz UEFOTFGNRLVJBW-MRXNPFEDSA-N 2 1 330.359 2.782 20 10 EFCDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000106854742 472898937 /nfs/dbraw/zinc/89/89/37/472898937.db2.gz MGQCUCITKHUFBN-GOSISDBHSA-N 2 1 339.483 2.757 20 10 EFCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093133347 473049193 /nfs/dbraw/zinc/04/91/93/473049193.db2.gz PFUVQAIZYLHKKJ-NRFANRHFSA-N 2 1 344.547 2.745 20 10 EFCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(F)ccc1O ZINC000186520406 473685378 /nfs/dbraw/zinc/68/53/78/473685378.db2.gz DZUXFRXUWQJUKF-KSSFIOAISA-N 2 1 344.430 2.949 20 10 EFCDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180011631 473776836 /nfs/dbraw/zinc/77/68/36/473776836.db2.gz YCAHURPXAXCTBL-HOTGVXAUSA-N 2 1 335.467 2.522 20 10 EFCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@@H]2C1 ZINC000194541664 473913699 /nfs/dbraw/zinc/91/36/99/473913699.db2.gz CEBDOSBEDODBDP-KDURUIRLSA-N 2 1 338.451 2.965 20 10 EFCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@@H]2C1 ZINC000194541664 473913705 /nfs/dbraw/zinc/91/37/05/473913705.db2.gz CEBDOSBEDODBDP-KDURUIRLSA-N 2 1 338.451 2.965 20 10 EFCDMP Cc1ccc(O)c(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000190322409 474579423 /nfs/dbraw/zinc/57/94/23/474579423.db2.gz MUVUNEQVAFZASK-NRFANRHFSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1ccc(O)c(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000190322409 474579443 /nfs/dbraw/zinc/57/94/43/474579443.db2.gz MUVUNEQVAFZASK-NRFANRHFSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1ccc(O)c(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000190322409 474579449 /nfs/dbraw/zinc/57/94/49/474579449.db2.gz MUVUNEQVAFZASK-NRFANRHFSA-N 2 1 340.467 2.769 20 10 EFCDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834025 475045221 /nfs/dbraw/zinc/04/52/21/475045221.db2.gz LEPAYBDBLBRCQE-ZRGWGRIASA-N 2 1 349.494 2.605 20 10 EFCDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268833394 475047007 /nfs/dbraw/zinc/04/70/07/475047007.db2.gz FZZCLIBURKZVGH-HNNXBMFYSA-N 2 1 346.450 2.908 20 10 EFCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423090476 476924553 /nfs/dbraw/zinc/92/45/53/476924553.db2.gz XRUGXYUMEBCSPE-KZNAEPCWSA-N 2 1 327.472 2.733 20 10 EFCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762790206 576331689 /nfs/dbraw/zinc/33/16/89/576331689.db2.gz YQZBYXJFCUHEQL-PXNSSMCTSA-N 2 1 331.504 2.784 20 10 EFCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762790206 576331690 /nfs/dbraw/zinc/33/16/90/576331690.db2.gz YQZBYXJFCUHEQL-PXNSSMCTSA-N 2 1 331.504 2.784 20 10 EFCDMP CCC[N@H+](CCN(CC)CC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000764677992 576488283 /nfs/dbraw/zinc/48/82/83/576488283.db2.gz NBHFCGAUWVMXAV-UHFFFAOYSA-N 2 1 346.563 2.992 20 10 EFCDMP CCC[N@@H+](CCN(CC)CC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000764677992 576488285 /nfs/dbraw/zinc/48/82/85/576488285.db2.gz NBHFCGAUWVMXAV-UHFFFAOYSA-N 2 1 346.563 2.992 20 10 EFCDMP COC[C@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000768539886 577282036 /nfs/dbraw/zinc/28/20/36/577282036.db2.gz DDPHLUZXLOHZIW-IBGZPJMESA-N 2 1 331.504 2.687 20 10 EFCDMP COC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000771841860 581249536 /nfs/dbraw/zinc/24/95/36/581249536.db2.gz GGMZCORZRXLURM-SFHVURJKSA-N 2 1 329.444 2.509 20 10 EFCDMP CCOCc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1OC ZINC000850397320 1250463360 /nfs/dbraw/zinc/46/33/60/1250463360.db2.gz VTQCAGOURNHYCZ-LJQANCHMSA-N 2 1 348.487 2.575 20 10 EFCDMP Oc1ccc(Br)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120215 1260406078 /nfs/dbraw/zinc/40/60/78/1260406078.db2.gz ZQASEYBQNJXSEM-UHFFFAOYSA-N 2 1 325.250 2.730 20 10 EFCDMP CO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1(C)C ZINC000824821149 1278305410 /nfs/dbraw/zinc/30/54/10/1278305410.db2.gz VJCUUFGKRZJLJC-LJQANCHMSA-N 2 1 331.504 2.685 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc(C4CC4)o3)cc2)CC1 ZINC000825175904 1278437818 /nfs/dbraw/zinc/43/78/18/1278437818.db2.gz RTYOOAHMIABQQZ-UHFFFAOYSA-N 2 1 326.444 2.594 20 10 EFCDMP COc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000742374650 1270029669 /nfs/dbraw/zinc/02/96/69/1270029669.db2.gz BGFDXHIVGDKBCV-MFKMUULPSA-N 2 1 343.265 2.736 20 10 EFCDMP COc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000742374650 1270029675 /nfs/dbraw/zinc/02/96/75/1270029675.db2.gz BGFDXHIVGDKBCV-MFKMUULPSA-N 2 1 343.265 2.736 20 10 EFCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702603451 1271554525 /nfs/dbraw/zinc/55/45/25/1271554525.db2.gz NDVGXCUEBIAPDZ-JXFKEZNVSA-N 2 1 326.440 2.680 20 10 EFCDMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894171 1276362805 /nfs/dbraw/zinc/36/28/05/1276362805.db2.gz KJXOIWNIAXOSFU-ROUUACIJSA-N 2 1 335.467 2.536 20 10 EFCDMP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817899346 1276366703 /nfs/dbraw/zinc/36/67/03/1276366703.db2.gz LGTFGNCGIQXQDH-VBQJREDUSA-N 2 1 339.430 2.987 20 10 EFCDMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817943644 1276389722 /nfs/dbraw/zinc/38/97/22/1276389722.db2.gz QIYJYFRPWKNHSA-AWEZNQCLSA-N 2 1 325.884 2.827 20 10 EFCDMP COc1ccc(N2CC[C@@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000818342249 1276510399 /nfs/dbraw/zinc/51/03/99/1276510399.db2.gz NQEPNEPQXDFRCB-INIZCTEOSA-N 2 1 329.488 2.738 20 10 EFCDMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000789558884 1276841917 /nfs/dbraw/zinc/84/19/17/1276841917.db2.gz DHENMKLOAWCDIQ-UHFFFAOYSA-N 2 1 347.478 2.723 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000793609686 1279772255 /nfs/dbraw/zinc/77/22/55/1279772255.db2.gz REFUQLMYSPVKKI-PMACEKPBSA-N 2 1 329.488 2.582 20 10 EFCDMP C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809700357 1282385787 /nfs/dbraw/zinc/38/57/87/1282385787.db2.gz FBCIMHLYMZATRW-NQIIRXRSSA-N 2 1 345.531 2.954 20 10 EFCDMP COc1cc(Br)cc(C[N@H+](C)CCC[NH+](C)C)c1O ZINC000809730046 1282410366 /nfs/dbraw/zinc/41/03/66/1282410366.db2.gz XXQHLRRUEMEXOS-UHFFFAOYSA-N 2 1 331.254 2.547 20 10 EFCDMP COc1cc(Br)cc(C[N@@H+](C)CCC[NH+](C)C)c1O ZINC000809730046 1282410375 /nfs/dbraw/zinc/41/03/75/1282410375.db2.gz XXQHLRRUEMEXOS-UHFFFAOYSA-N 2 1 331.254 2.547 20 10 EFCDMP C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000809704625 1282416259 /nfs/dbraw/zinc/41/62/59/1282416259.db2.gz DGUBMJZNAMTQIA-JWTNVVGKSA-N 2 1 347.478 2.719 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000809704625 1282416262 /nfs/dbraw/zinc/41/62/62/1282416262.db2.gz DGUBMJZNAMTQIA-JWTNVVGKSA-N 2 1 347.478 2.719 20 10 EFCDMP C[NH+](Cc1ccc(N2CCOCC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000809704625 1282416272 /nfs/dbraw/zinc/41/62/72/1282416272.db2.gz DGUBMJZNAMTQIA-JWTNVVGKSA-N 2 1 347.478 2.719 20 10 EFCDMP C[NH+](Cc1ccc(N2CCOCC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000809704625 1282416275 /nfs/dbraw/zinc/41/62/75/1282416275.db2.gz DGUBMJZNAMTQIA-JWTNVVGKSA-N 2 1 347.478 2.719 20 10 EFCDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(Cl)ccc1O ZINC000809737005 1282437209 /nfs/dbraw/zinc/43/72/09/1282437209.db2.gz BCVXCHNRUILWNM-KRWDZBQOSA-N 2 1 339.911 2.894 20 10 EFCDMP CCOc1ccc(O)c(CN(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000809738337 1282437381 /nfs/dbraw/zinc/43/73/81/1282437381.db2.gz UWDGYALJDBEAPS-SFHVURJKSA-N 2 1 349.519 2.639 20 10 EFCDMP C[N@@H+](Cc1ccc(O)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809754002 1282457332 /nfs/dbraw/zinc/45/73/32/1282457332.db2.gz ZHAIOJZZRYYGOG-UHFFFAOYSA-N 2 1 325.456 2.776 20 10 EFCDMP Cc1cc(C)c([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(O)c1 ZINC000815575932 1287608941 /nfs/dbraw/zinc/60/89/41/1287608941.db2.gz FGRYVOUVXDORJV-KRWDZBQOSA-N 2 1 333.520 2.933 20 10 EFCDMP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000815582788 1287612116 /nfs/dbraw/zinc/61/21/16/1287612116.db2.gz PIOYVINDZXLKLW-LLVKDONJSA-N 2 1 332.366 2.518 20 10 EFCDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815616174 1287639536 /nfs/dbraw/zinc/63/95/36/1287639536.db2.gz IBWPXXLXYWLCOX-CTNGQTDRSA-N 2 1 340.467 2.722 20 10 EFCDMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815616174 1287639537 /nfs/dbraw/zinc/63/95/37/1287639537.db2.gz IBWPXXLXYWLCOX-CTNGQTDRSA-N 2 1 340.467 2.722 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000811510672 1284390335 /nfs/dbraw/zinc/39/03/35/1284390335.db2.gz MSICSDFXBBWEJZ-UXHICEINSA-N 2 1 343.515 2.828 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC001172107950 1286022510 /nfs/dbraw/zinc/02/25/10/1286022510.db2.gz MGARBNNKXZKRDM-ZKTXZKFHSA-N 3 1 342.531 2.543 20 10 EFCDMP CC[N@H+]1CC[C@@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001173356520 1286545084 /nfs/dbraw/zinc/54/50/84/1286545084.db2.gz DTRUOAOPADMJIR-JSNMRZPZSA-N 2 1 341.455 2.523 20 10 EFCDMP CN(CCC[N@@H+](C)Cc1ccc2ccccc2c1O)CC[NH+](C)C ZINC000816613451 1288226016 /nfs/dbraw/zinc/22/60/16/1288226016.db2.gz UZFZOGIEJYCOML-UHFFFAOYSA-N 2 1 329.488 2.861 20 10 EFCDMP CCc1nocc1C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000816652736 1288229859 /nfs/dbraw/zinc/22/98/59/1288229859.db2.gz SDTAUQVALGKMTE-UHFFFAOYSA-N 2 1 328.460 2.621 20 10 EFCDMP CCc1nocc1C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000816652736 1288229866 /nfs/dbraw/zinc/22/98/66/1288229866.db2.gz SDTAUQVALGKMTE-UHFFFAOYSA-N 2 1 328.460 2.621 20 10 EFCDMP CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c(O)c1 ZINC000816659220 1288231804 /nfs/dbraw/zinc/23/18/04/1288231804.db2.gz FMDXZEVHSNIQAK-JWTNVVGKSA-N 2 1 348.487 2.865 20 10 EFCDMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c(O)c1 ZINC000816659220 1288231807 /nfs/dbraw/zinc/23/18/07/1288231807.db2.gz FMDXZEVHSNIQAK-JWTNVVGKSA-N 2 1 348.487 2.865 20 10 EFCDMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c(O)c1 ZINC000816659220 1288231809 /nfs/dbraw/zinc/23/18/09/1288231809.db2.gz FMDXZEVHSNIQAK-JWTNVVGKSA-N 2 1 348.487 2.865 20 10 EFCDMP COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1Cn1cccn1 ZINC000873009636 1289516329 /nfs/dbraw/zinc/51/63/29/1289516329.db2.gz PUIIUPGNSSTNDQ-UHFFFAOYSA-N 2 1 342.487 2.902 20 10 EFCDMP COc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Cn1cccn1 ZINC000873014277 1289518748 /nfs/dbraw/zinc/51/87/48/1289518748.db2.gz NKPQWBLZZADTFN-RTBURBONSA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cn1cccn1 ZINC000873014277 1289518762 /nfs/dbraw/zinc/51/87/62/1289518762.db2.gz NKPQWBLZZADTFN-RTBURBONSA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Cn1cccn1 ZINC000873014277 1289518768 /nfs/dbraw/zinc/51/87/68/1289518768.db2.gz NKPQWBLZZADTFN-RTBURBONSA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1Cn1cccn1 ZINC000873029346 1289529576 /nfs/dbraw/zinc/52/95/76/1289529576.db2.gz DCHWSSMQBNAYDV-GOSISDBHSA-N 2 1 342.487 2.760 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(F)cnc3Cl)cc2)CC1 ZINC000824538176 1289708567 /nfs/dbraw/zinc/70/85/67/1289708567.db2.gz MONYQWUHZIQUCG-UHFFFAOYSA-N 2 1 348.853 2.916 20 10 EFCDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876771810 1291015872 /nfs/dbraw/zinc/01/58/72/1291015872.db2.gz ZLNJIFNCADCROQ-LJQANCHMSA-N 2 1 345.531 2.811 20 10 EFCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876771810 1291015880 /nfs/dbraw/zinc/01/58/80/1291015880.db2.gz ZLNJIFNCADCROQ-LJQANCHMSA-N 2 1 345.531 2.811 20 10 EFCDMP Cc1cccc(O)c1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000877191481 1291160909 /nfs/dbraw/zinc/16/09/09/1291160909.db2.gz WRQFJSBVANBGIP-SFHVURJKSA-N 2 1 326.440 2.557 20 10 EFCDMP Cc1nccn1CCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877527973 1291259808 /nfs/dbraw/zinc/25/98/08/1291259808.db2.gz PVJHQMMRQSGOBN-UHFFFAOYSA-N 2 1 342.487 2.675 20 10 EFCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877527973 1291259815 /nfs/dbraw/zinc/25/98/15/1291259815.db2.gz PVJHQMMRQSGOBN-UHFFFAOYSA-N 2 1 342.487 2.675 20 10 EFCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877527973 1291259820 /nfs/dbraw/zinc/25/98/20/1291259820.db2.gz PVJHQMMRQSGOBN-UHFFFAOYSA-N 2 1 342.487 2.675 20 10 EFCDMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001205570361 1292631300 /nfs/dbraw/zinc/63/13/00/1292631300.db2.gz JBJNHUNFLPTAOV-CQSZACIVSA-N 2 1 349.219 2.947 20 10 EFCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001205570361 1292631312 /nfs/dbraw/zinc/63/13/12/1292631312.db2.gz JBJNHUNFLPTAOV-CQSZACIVSA-N 2 1 349.219 2.947 20 10 EFCDMP C[NH+](C)Cc1cnc(C[NH2+]CCCSc2nccs2)s1 ZINC000796311661 1292860360 /nfs/dbraw/zinc/86/03/60/1292860360.db2.gz YSQFEDRMITVDIQ-UHFFFAOYSA-N 2 1 328.532 2.933 20 10 EFCDMP CC[NH+](CC)CCN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203648586 1312979983 /nfs/dbraw/zinc/97/99/83/1312979983.db2.gz MTENEGGOYORLDR-UHFFFAOYSA-N 2 1 325.884 2.505 20 10 EFCDMP C[N@@H+](CCOc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775634794 1293794487 /nfs/dbraw/zinc/79/44/87/1293794487.db2.gz YDXAVCIRAFRLPO-UHFFFAOYSA-N 2 1 339.483 2.949 20 10 EFCDMP COCC[N@@H+](Cc1ccco1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775657220 1293929272 /nfs/dbraw/zinc/92/92/72/1293929272.db2.gz YTDFRLCLIXTCKA-UHFFFAOYSA-N 2 1 343.471 2.680 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](c4cc[nH]n4)C3)cc2)CC1 ZINC000775657871 1293933560 /nfs/dbraw/zinc/93/35/60/1293933560.db2.gz ANYHSDIAFFDAPE-SFHVURJKSA-N 2 1 339.487 2.541 20 10 EFCDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3c(O)cccc3F)C2)C1 ZINC001276359951 1294653615 /nfs/dbraw/zinc/65/36/15/1294653615.db2.gz ODSKHLZLTPUWIZ-HXUWFJFHSA-N 2 1 349.494 2.771 20 10 EFCDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3c(O)cccc3F)C2)C1 ZINC001276359951 1294653625 /nfs/dbraw/zinc/65/36/25/1294653625.db2.gz ODSKHLZLTPUWIZ-HXUWFJFHSA-N 2 1 349.494 2.771 20 10 EFCDMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775830928 1294921496 /nfs/dbraw/zinc/92/14/96/1294921496.db2.gz NKJRLJWYUHPATJ-UWJYYQICSA-N 2 1 341.499 2.896 20 10 EFCDMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775830928 1294921505 /nfs/dbraw/zinc/92/15/05/1294921505.db2.gz NKJRLJWYUHPATJ-UWJYYQICSA-N 2 1 341.499 2.896 20 10 EFCDMP Oc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001204273610 1313113444 /nfs/dbraw/zinc/11/34/44/1313113444.db2.gz SCTHFJHYNARRAZ-GASCZTMLSA-N 2 1 330.453 2.723 20 10 EFCDMP Oc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001204273610 1313113447 /nfs/dbraw/zinc/11/34/47/1313113447.db2.gz SCTHFJHYNARRAZ-GASCZTMLSA-N 2 1 330.453 2.723 20 10 EFCDMP Oc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001204273610 1313113450 /nfs/dbraw/zinc/11/34/50/1313113450.db2.gz SCTHFJHYNARRAZ-GASCZTMLSA-N 2 1 330.453 2.723 20 10 EFCDMP Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001204273610 1313113453 /nfs/dbraw/zinc/11/34/53/1313113453.db2.gz SCTHFJHYNARRAZ-GASCZTMLSA-N 2 1 330.453 2.723 20 10 EFCDMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(O)cc4O)C[C@@H]3C2)cc1 ZINC001204272638 1313113644 /nfs/dbraw/zinc/11/36/44/1313113644.db2.gz FGMKEXOUQIJDNL-KDURUIRLSA-N 2 1 338.451 2.970 20 10 EFCDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(O)cc4O)C[C@@H]3C2)cc1 ZINC001204272638 1313113646 /nfs/dbraw/zinc/11/36/46/1313113646.db2.gz FGMKEXOUQIJDNL-KDURUIRLSA-N 2 1 338.451 2.970 20 10 EFCDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(O)cc4O)C[C@@H]3C2)cc1 ZINC001204272638 1313113649 /nfs/dbraw/zinc/11/36/49/1313113649.db2.gz FGMKEXOUQIJDNL-KDURUIRLSA-N 2 1 338.451 2.970 20 10 EFCDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1c(O)cccc1F ZINC000886587664 1295036667 /nfs/dbraw/zinc/03/66/67/1295036667.db2.gz CKYSSJCNTBTWJR-YOEHRIQHSA-N 2 1 344.430 2.949 20 10 EFCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1c(O)cccc1F ZINC000886587664 1295036677 /nfs/dbraw/zinc/03/66/77/1295036677.db2.gz CKYSSJCNTBTWJR-YOEHRIQHSA-N 2 1 344.430 2.949 20 10 EFCDMP CCN(CC)c1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235007367 1313222529 /nfs/dbraw/zinc/22/25/29/1313222529.db2.gz MQPWQFMHBSAYPY-FQEVSTJZSA-N 2 1 331.504 2.735 20 10 EFCDMP CCN(CC)c1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235007367 1313222531 /nfs/dbraw/zinc/22/25/31/1313222531.db2.gz MQPWQFMHBSAYPY-FQEVSTJZSA-N 2 1 331.504 2.735 20 10 EFCDMP CC(C)(C)c1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001235019484 1313225137 /nfs/dbraw/zinc/22/51/37/1313225137.db2.gz BJJWGCJBKPBEMS-FQEVSTJZSA-N 2 1 332.488 2.892 20 10 EFCDMP CC(C)(C)c1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001235019484 1313225141 /nfs/dbraw/zinc/22/51/41/1313225141.db2.gz BJJWGCJBKPBEMS-FQEVSTJZSA-N 2 1 332.488 2.892 20 10 EFCDMP c1c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc2c3c1CCCN3CCC2 ZINC001235093128 1313241273 /nfs/dbraw/zinc/24/12/73/1313241273.db2.gz PGTZOXDMMKANKU-UHFFFAOYSA-N 2 1 325.500 2.961 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c2ccccc2n1C ZINC001205317371 1313268882 /nfs/dbraw/zinc/26/88/82/1313268882.db2.gz OFYKXFYHCOXDGA-LSDHHAIUSA-N 2 1 343.471 2.772 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c2ccccc2n1C ZINC001205317371 1313268887 /nfs/dbraw/zinc/26/88/87/1313268887.db2.gz OFYKXFYHCOXDGA-LSDHHAIUSA-N 2 1 343.471 2.772 20 10 EFCDMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001235401877 1313312546 /nfs/dbraw/zinc/31/25/46/1313312546.db2.gz HKZBCNKDGRONIQ-PZJWPPBQSA-N 2 1 343.490 2.909 20 10 EFCDMP COc1ccc(C[N@@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001235402012 1313313485 /nfs/dbraw/zinc/31/34/85/1313313485.db2.gz GTEMOWUHYYNKQK-UHFFFAOYSA-N 2 1 325.456 2.737 20 10 EFCDMP C[C@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@H]1C[NH3+] ZINC001205617350 1313324060 /nfs/dbraw/zinc/32/40/60/1313324060.db2.gz JCRFOLFKHNSZAT-RDJZCZTQSA-N 2 1 343.515 2.898 20 10 EFCDMP C[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)CC[C@@H]1C[NH3+] ZINC001205626714 1313325619 /nfs/dbraw/zinc/32/56/19/1313325619.db2.gz IJOGNDCUEKQBAN-NWDGAFQWSA-N 2 1 327.266 2.962 20 10 EFCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205673406 1313335277 /nfs/dbraw/zinc/33/52/77/1313335277.db2.gz QJDQNQSWWZVEQB-HXUWFJFHSA-N 2 1 327.472 2.770 20 10 EFCDMP Cc1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001205673966 1313335011 /nfs/dbraw/zinc/33/50/11/1313335011.db2.gz WTTKTZXWVMFKCY-FQEVSTJZSA-N 2 1 327.472 2.770 20 10 EFCDMP Cc1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001205673967 1313335071 /nfs/dbraw/zinc/33/50/71/1313335071.db2.gz WTTKTZXWVMFKCY-HXUWFJFHSA-N 2 1 327.472 2.770 20 10 EFCDMP CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)ccc2O1 ZINC001205795532 1313357415 /nfs/dbraw/zinc/35/74/15/1313357415.db2.gz HWOBIRIVSRVYFH-CYBMUJFWSA-N 2 1 338.398 2.992 20 10 EFCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)ccc2O1 ZINC001205795532 1313357418 /nfs/dbraw/zinc/35/74/18/1313357418.db2.gz HWOBIRIVSRVYFH-CYBMUJFWSA-N 2 1 338.398 2.992 20 10 EFCDMP Cc1cc(C)c(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c(O)c1 ZINC001276364633 1297338981 /nfs/dbraw/zinc/33/89/81/1297338981.db2.gz ALYSMJLURXZBPL-UHFFFAOYSA-N 2 1 345.531 2.859 20 10 EFCDMP Cc1cc(C)c(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)c(O)c1 ZINC001276364633 1297338992 /nfs/dbraw/zinc/33/89/92/1297338992.db2.gz ALYSMJLURXZBPL-UHFFFAOYSA-N 2 1 345.531 2.859 20 10 EFCDMP COC(=O)c1c(C[N@@H+](C)CCC2CC[NH2+]CC2)c2ccccc2n1C ZINC001235716429 1313382803 /nfs/dbraw/zinc/38/28/03/1313382803.db2.gz BFIZQJFAJAHQKC-UHFFFAOYSA-N 2 1 343.471 2.786 20 10 EFCDMP C[C@H]1C[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CCC[C@H]1C[NH3+] ZINC001205991405 1313387435 /nfs/dbraw/zinc/38/74/35/1313387435.db2.gz AOJALUVMGXOSMN-RDJZCZTQSA-N 2 1 343.515 2.898 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)cc2)CC1 ZINC001206005514 1313389924 /nfs/dbraw/zinc/38/99/24/1313389924.db2.gz YJUPBSJYWJIDIX-AZUAARDMSA-N 3 1 344.547 2.635 20 10 EFCDMP C[C@H]1C[N@@H+](Cc2cc(O)c(Br)cc2O)CCC[C@H]1C[NH3+] ZINC001206024571 1313393518 /nfs/dbraw/zinc/39/35/18/1313393518.db2.gz KIEMZKPDMNCMIX-QWRGUYRKSA-N 2 1 343.265 2.667 20 10 EFCDMP Cc1cc(O)c(C[NH+]2CCN(C3(C)CC[NH2+]CC3)CC2)cc1Cl ZINC001235821621 1313404893 /nfs/dbraw/zinc/40/48/93/1313404893.db2.gz KQWCMXMSHDGOMQ-UHFFFAOYSA-N 2 1 337.895 2.614 20 10 EFCDMP COc1ccc2c(c1)c1c(n2C)CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001235839713 1313407165 /nfs/dbraw/zinc/40/71/65/1313407165.db2.gz VNVYNMMXGUTHEZ-UHFFFAOYSA-N 2 1 327.472 2.935 20 10 EFCDMP CCC[N@@H+](CCc1ccccn1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235962746 1313423770 /nfs/dbraw/zinc/42/37/70/1313423770.db2.gz OOEVUFUNVLBOAP-UHFFFAOYSA-N 2 1 338.499 2.946 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC001236214337 1313456835 /nfs/dbraw/zinc/45/68/35/1313456835.db2.gz DHDRWSIWOQOAHW-UXHICEINSA-N 3 1 330.520 2.530 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC001236214337 1313456839 /nfs/dbraw/zinc/45/68/39/1313456839.db2.gz DHDRWSIWOQOAHW-UXHICEINSA-N 3 1 330.520 2.530 20 10 EFCDMP Cc1cc(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Br ZINC001236320387 1313469202 /nfs/dbraw/zinc/46/92/02/1313469202.db2.gz GFMNOKRJVXJPAZ-BETUJISGSA-N 2 1 339.277 2.895 20 10 EFCDMP COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1O ZINC001206615571 1313484510 /nfs/dbraw/zinc/48/45/10/1313484510.db2.gz JDKQCHFRZSRKFJ-NSHDSACASA-N 2 1 343.265 2.724 20 10 EFCDMP COc1cc(Br)cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1O ZINC001206615571 1313484511 /nfs/dbraw/zinc/48/45/11/1313484511.db2.gz JDKQCHFRZSRKFJ-NSHDSACASA-N 2 1 343.265 2.724 20 10 EFCDMP COc1cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)c(OC)c1 ZINC001236662497 1313505120 /nfs/dbraw/zinc/50/51/20/1313505120.db2.gz JWJVENYALLYDOH-INIZCTEOSA-N 2 1 334.460 2.906 20 10 EFCDMP COc1cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)c(OC)c1 ZINC001236662497 1313505123 /nfs/dbraw/zinc/50/51/23/1313505123.db2.gz JWJVENYALLYDOH-INIZCTEOSA-N 2 1 334.460 2.906 20 10 EFCDMP CC[N@H+]1C[C@H]2CN(Cc3cc(C)cc(Br)c3[O-])C[C@H]2C1 ZINC001236670974 1313506747 /nfs/dbraw/zinc/50/67/47/1313506747.db2.gz QYUHCZHQVDHDHW-OKILXGFUSA-N 2 1 339.277 2.847 20 10 EFCDMP CC[N@@H+]1C[C@H]2CN(Cc3cc(C)cc(Br)c3[O-])C[C@H]2C1 ZINC001236670974 1313506750 /nfs/dbraw/zinc/50/67/50/1313506750.db2.gz QYUHCZHQVDHDHW-OKILXGFUSA-N 2 1 339.277 2.847 20 10 EFCDMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236810460 1313534300 /nfs/dbraw/zinc/53/43/00/1313534300.db2.gz HGOASEBJPIJWNT-QGZVFWFLSA-N 2 1 348.487 2.784 20 10 EFCDMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236810460 1313534303 /nfs/dbraw/zinc/53/43/03/1313534303.db2.gz HGOASEBJPIJWNT-QGZVFWFLSA-N 2 1 348.487 2.784 20 10 EFCDMP COCC[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236940435 1313557256 /nfs/dbraw/zinc/55/72/56/1313557256.db2.gz QZXFGJCURZEHIO-GOSISDBHSA-N 2 1 349.494 2.969 20 10 EFCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@]1(C)O ZINC001236937009 1313557341 /nfs/dbraw/zinc/55/73/41/1313557341.db2.gz XJUBZLGNNPBBQL-JXFKEZNVSA-N 2 1 349.494 2.560 20 10 EFCDMP COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236935248 1313557548 /nfs/dbraw/zinc/55/75/48/1313557548.db2.gz FRVQLJSFIKVEPM-LJQANCHMSA-N 2 1 349.494 2.967 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]4(CCOC4)C3)c(F)c2)CC1 ZINC001236935619 1313557613 /nfs/dbraw/zinc/55/76/13/1313557613.db2.gz IRTNFCOWIQOPPU-FQEVSTJZSA-N 2 1 347.478 2.580 20 10 EFCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C1CCOCC1 ZINC001236940453 1313557669 /nfs/dbraw/zinc/55/76/69/1313557669.db2.gz RRFIJYRORLCESL-UHFFFAOYSA-N 2 1 335.467 2.578 20 10 EFCDMP CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236941592 1313558000 /nfs/dbraw/zinc/55/80/00/1313558000.db2.gz CXURQOUSIWICMS-GOSISDBHSA-N 2 1 335.467 2.577 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH+]3CC(C)(C)OC(C)(C)C3)c(F)c2)CC1 ZINC001236942401 1313558223 /nfs/dbraw/zinc/55/82/23/1313558223.db2.gz JIJMRKDECXDFPK-UHFFFAOYSA-N 2 1 349.494 2.967 20 10 EFCDMP Cc1cc(C)c(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c(O)c1 ZINC001276365745 1299075092 /nfs/dbraw/zinc/07/50/92/1299075092.db2.gz UKRDGMOPTCWMMM-UHFFFAOYSA-N 2 1 340.471 2.830 20 10 EFCDMP C[C@@H]1C(=O)CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C12CCCC2 ZINC001237190184 1313602157 /nfs/dbraw/zinc/60/21/57/1313602157.db2.gz DEHWAMOOXLMFOP-QGZVFWFLSA-N 2 1 341.499 2.820 20 10 EFCDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(C)c1O ZINC001237687877 1313692723 /nfs/dbraw/zinc/69/27/23/1313692723.db2.gz XLFORKPBKFBVSB-UHFFFAOYSA-N 2 1 342.867 2.671 20 10 EFCDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(C)c1O ZINC001237687877 1313692726 /nfs/dbraw/zinc/69/27/26/1313692726.db2.gz XLFORKPBKFBVSB-UHFFFAOYSA-N 2 1 342.867 2.671 20 10 EFCDMP COc1cccc2c1C[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000862530082 1302405131 /nfs/dbraw/zinc/40/51/31/1302405131.db2.gz VEBBWSFUYPLHRY-UHFFFAOYSA-N 2 1 337.467 2.963 20 10 EFCDMP COc1cccc2c1C[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000862530082 1302405136 /nfs/dbraw/zinc/40/51/36/1302405136.db2.gz VEBBWSFUYPLHRY-UHFFFAOYSA-N 2 1 337.467 2.963 20 10 EFCDMP Cc1c(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c2ccccc2n1C ZINC001276557082 1313851819 /nfs/dbraw/zinc/85/18/19/1313851819.db2.gz UMCJJDJAMWHZRM-SFTDATJTSA-N 2 1 340.515 2.697 20 10 EFCDMP Cc1c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c2ccccc2n1C ZINC001276555863 1313849214 /nfs/dbraw/zinc/84/92/14/1313849214.db2.gz FKHSQFLZBIPDTE-HDICACEKSA-N 2 1 340.515 2.697 20 10 EFCDMP Cc1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c2ccccc2n1C ZINC001276555863 1313849217 /nfs/dbraw/zinc/84/92/17/1313849217.db2.gz FKHSQFLZBIPDTE-HDICACEKSA-N 2 1 340.515 2.697 20 10 EFCDMP CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000863646841 1302667553 /nfs/dbraw/zinc/66/75/53/1302667553.db2.gz PXNWIKSRIOFVIH-JSGCOSHPSA-N 2 1 332.366 2.750 20 10 EFCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000863646841 1302667562 /nfs/dbraw/zinc/66/75/62/1302667562.db2.gz PXNWIKSRIOFVIH-JSGCOSHPSA-N 2 1 332.366 2.750 20 10 EFCDMP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000863646839 1302667842 /nfs/dbraw/zinc/66/78/42/1302667842.db2.gz PXNWIKSRIOFVIH-GXTWGEPZSA-N 2 1 332.366 2.750 20 10 EFCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000863646839 1302667856 /nfs/dbraw/zinc/66/78/56/1302667856.db2.gz PXNWIKSRIOFVIH-GXTWGEPZSA-N 2 1 332.366 2.750 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)cc2)CC1 ZINC001222242161 1311103899 /nfs/dbraw/zinc/10/38/99/1311103899.db2.gz BZXRXUBPAGSYHW-NRFANRHFSA-N 3 1 342.531 2.547 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)cc2)CC1 ZINC001222242161 1311103900 /nfs/dbraw/zinc/10/39/00/1311103900.db2.gz BZXRXUBPAGSYHW-NRFANRHFSA-N 3 1 342.531 2.547 20 10 EFCDMP COc1cc(C)c(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(O)c1 ZINC001222609964 1311160713 /nfs/dbraw/zinc/16/07/13/1311160713.db2.gz TZVBYKPQFUGDSZ-LJQANCHMSA-N 2 1 338.451 2.898 20 10 EFCDMP CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(O)c1 ZINC001222615968 1311161480 /nfs/dbraw/zinc/16/14/80/1311161480.db2.gz UOAXNEXRKRLMBR-IBGZPJMESA-N 2 1 338.451 2.980 20 10 EFCDMP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000902518334 1311827505 /nfs/dbraw/zinc/82/75/05/1311827505.db2.gz PDQKPDULGHVMBV-MHTWAQMVSA-N 2 1 344.547 2.866 20 10 EFCDMP c1cc(N2CC[NH2+]CC2)ccc1CN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246173002 1314593417 /nfs/dbraw/zinc/59/34/17/1314593417.db2.gz JFWXJIMFRQQPBP-IBGZPJMESA-N 2 1 342.531 2.641 20 10 EFCDMP CCCC[C@H]1C[C@@H](NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC001246184721 1314594639 /nfs/dbraw/zinc/59/46/39/1314594639.db2.gz OOXLKLXQHRVXFZ-PMACEKPBSA-N 2 1 344.547 2.839 20 10 EFCDMP CC[C@H]1CC(NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](CC)[NH2+]1 ZINC001246186062 1314595059 /nfs/dbraw/zinc/59/50/59/1314595059.db2.gz WQYQPCBQYDCMOU-OALUTQOASA-N 2 1 344.547 2.837 20 10 EFCDMP CC[C@@H]1C[C@@H](NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](CC)[NH2+]1 ZINC001246186057 1314595191 /nfs/dbraw/zinc/59/51/91/1314595191.db2.gz WQYQPCBQYDCMOU-ACDBMABISA-N 2 1 344.547 2.837 20 10 EFCDMP COc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)cc1 ZINC001246521754 1314641500 /nfs/dbraw/zinc/64/15/00/1314641500.db2.gz QREIVDICJNHATB-HKUYNNGSSA-N 2 1 331.504 2.984 20 10 EFCDMP FC(F)(F)Oc1ccc(N2CC[NH+]([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001246993659 1314726831 /nfs/dbraw/zinc/72/68/31/1314726831.db2.gz IJJPYYLCERZKFV-AWEZNQCLSA-N 2 1 343.393 2.849 20 10 EFCDMP Cc1ccc(C)n1-c1ccc(-c2noc([C@H]([NH3+])CCC[NH3+])n2)cc1 ZINC001247510091 1314795265 /nfs/dbraw/zinc/79/52/65/1314795265.db2.gz XXDWJSZJUACKME-MRXNPFEDSA-N 2 1 325.416 2.883 20 10 EFCDMP CCc1ccc(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276805409 1315317970 /nfs/dbraw/zinc/31/79/70/1315317970.db2.gz WJSANUWXJVYSRL-OAQYLSRUSA-N 2 1 345.531 2.804 20 10 EFCDMP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCOCC1 ZINC001252383984 1315442850 /nfs/dbraw/zinc/44/28/50/1315442850.db2.gz QFCJAFJQFXNSAU-LJQANCHMSA-N 2 1 349.494 2.872 20 10 EFCDMP CC[NH+](CC)CC[C@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001255942208 1315883046 /nfs/dbraw/zinc/88/30/46/1315883046.db2.gz CRLUZPRSDYTMGG-SFHVURJKSA-N 2 1 332.536 2.648 20 10 EFCDMP CCOc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001256631098 1315973326 /nfs/dbraw/zinc/97/33/26/1315973326.db2.gz OHRZKLWXWLPUCL-DFNIBXOVSA-N 2 1 329.488 2.833 20 10 EFCDMP CCOc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001256631098 1315973329 /nfs/dbraw/zinc/97/33/29/1315973329.db2.gz OHRZKLWXWLPUCL-DFNIBXOVSA-N 2 1 329.488 2.833 20 10 EFCDMP CC(C)C[NH+]1CCC(NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001258002917 1316108251 /nfs/dbraw/zinc/10/82/51/1316108251.db2.gz NVJNFRIPQHIEID-UHFFFAOYSA-N 2 1 344.547 2.648 20 10 EFCDMP C[C@H]1SCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1C ZINC001319712630 1328960363 /nfs/dbraw/zinc/96/03/63/1328960363.db2.gz PTRJIWAOMLUQKG-HUUCEWRRSA-N 2 1 337.508 2.903 20 10 EFCDMP C[C@H]1SCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1C ZINC001319712630 1328960370 /nfs/dbraw/zinc/96/03/70/1328960370.db2.gz PTRJIWAOMLUQKG-HUUCEWRRSA-N 2 1 337.508 2.903 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2F)CC1 ZINC001319836686 1329008866 /nfs/dbraw/zinc/00/88/66/1329008866.db2.gz CMCXBOUVUCAOKR-QGZVFWFLSA-N 2 1 347.478 2.769 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)cc2F)CC1 ZINC001319947779 1329042351 /nfs/dbraw/zinc/04/23/51/1329042351.db2.gz DMXSKKFSNYPLJZ-FXAWDEMLSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4OCCC[C@H]4C3)cc2F)CC1 ZINC001319947779 1329042357 /nfs/dbraw/zinc/04/23/57/1329042357.db2.gz DMXSKKFSNYPLJZ-FXAWDEMLSA-N 2 1 347.478 2.578 20 10 EFCDMP C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322338439 1329449001 /nfs/dbraw/zinc/44/90/01/1329449001.db2.gz KHYPVVCSJTZLMQ-FUHWJXTLSA-N 2 1 349.494 2.703 20 10 EFCDMP C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322338439 1329449002 /nfs/dbraw/zinc/44/90/02/1329449002.db2.gz KHYPVVCSJTZLMQ-FUHWJXTLSA-N 2 1 349.494 2.703 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(CCCO)CC3)cc2F)CC1 ZINC001323700118 1329562739 /nfs/dbraw/zinc/56/27/39/1329562739.db2.gz ASFQULQRMTUPNU-UHFFFAOYSA-N 2 1 349.494 2.562 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCOC(C)(C)C3)cc2F)CC1 ZINC001325696434 1329707078 /nfs/dbraw/zinc/70/70/78/1329707078.db2.gz RZZODAVJMWNHCE-QGZVFWFLSA-N 2 1 349.494 2.872 20 10 EFCDMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001325745377 1329709821 /nfs/dbraw/zinc/70/98/21/1329709821.db2.gz XSIHXGLYAJGBRP-UONOGXRCSA-N 2 1 325.884 2.825 20 10 EFCDMP Cc1cc(N)cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001326075170 1329732323 /nfs/dbraw/zinc/73/23/23/1329732323.db2.gz HUQYRRBYZDXDEU-UHFFFAOYSA-N 2 1 342.462 2.758 20 10 EFCDMP C[C@H]1CCSCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326279279 1329743733 /nfs/dbraw/zinc/74/37/33/1329743733.db2.gz GKFVBCDXNYEMPE-HNNXBMFYSA-N 2 1 337.508 2.905 20 10 EFCDMP C[C@H]1CCSCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326279279 1329743735 /nfs/dbraw/zinc/74/37/35/1329743735.db2.gz GKFVBCDXNYEMPE-HNNXBMFYSA-N 2 1 337.508 2.905 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCSC[C@@H]3C3CC3)cc2F)CC1 ZINC001327953828 1330534119 /nfs/dbraw/zinc/53/41/19/1330534119.db2.gz ZMROLYXLENPVCT-LJQANCHMSA-N 2 1 349.519 2.905 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCSC[C@@H]3C3CC3)cc2F)CC1 ZINC001327953828 1330534120 /nfs/dbraw/zinc/53/41/20/1330534120.db2.gz ZMROLYXLENPVCT-LJQANCHMSA-N 2 1 349.519 2.905 20 10 EFCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H]1CC[NH3+] ZINC001328644442 1330611386 /nfs/dbraw/zinc/61/13/86/1330611386.db2.gz ZDRKVGHUTNWBHN-APWZRJJASA-N 3 1 348.510 2.527 20 10 EFCDMP C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1CC[NH3+] ZINC001328644442 1330611388 /nfs/dbraw/zinc/61/13/88/1330611388.db2.gz ZDRKVGHUTNWBHN-APWZRJJASA-N 3 1 348.510 2.527 20 10 EFCDMP CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001328659919 1330613013 /nfs/dbraw/zinc/61/30/13/1330613013.db2.gz QEECXJGJEYLMBT-FOIQADDNSA-N 2 1 349.494 2.871 20 10 EFCDMP CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001328659922 1330613028 /nfs/dbraw/zinc/61/30/28/1330613028.db2.gz QEECXJGJEYLMBT-YWZLYKJASA-N 2 1 349.494 2.871 20 10 EFCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C2CC2)O1 ZINC001339602688 1331910108 /nfs/dbraw/zinc/91/01/08/1331910108.db2.gz AFLCCZRAUMEWHS-FOIQADDNSA-N 2 1 347.478 2.577 20 10 EFCDMP CCCC[N@H+](CCOC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341568543 1332268440 /nfs/dbraw/zinc/26/84/40/1332268440.db2.gz ZFEPOFVEMIWWCC-UHFFFAOYSA-N 2 1 337.483 2.826 20 10 EFCDMP CCCC[N@@H+](CCOC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341568543 1332268442 /nfs/dbraw/zinc/26/84/42/1332268442.db2.gz ZFEPOFVEMIWWCC-UHFFFAOYSA-N 2 1 337.483 2.826 20 10 EFCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001341604225 1332270324 /nfs/dbraw/zinc/27/03/24/1332270324.db2.gz GMLCXCFLKJIDTI-NJYVYQBISA-N 2 1 343.515 2.970 20 10 EFCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001344578236 1332464377 /nfs/dbraw/zinc/46/43/77/1332464377.db2.gz CSNFFZYQPOBLDD-CVEARBPZSA-N 2 1 331.504 2.865 20 10 EFCDMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(O)c1OC ZINC000892142404 715272643 /nfs/dbraw/zinc/27/26/43/715272643.db2.gz FGRKLRXLPPVQBB-HNNXBMFYSA-N 2 1 334.460 2.573 20 10 EFCDMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(O)c1OC ZINC000892142404 715272644 /nfs/dbraw/zinc/27/26/44/715272644.db2.gz FGRKLRXLPPVQBB-HNNXBMFYSA-N 2 1 334.460 2.573 20 10 EFCDMP COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(O)c1OC ZINC000892142404 715272646 /nfs/dbraw/zinc/27/26/46/715272646.db2.gz FGRKLRXLPPVQBB-HNNXBMFYSA-N 2 1 334.460 2.573 20 10 EFCDMP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(O)c1OC ZINC000892142404 715272648 /nfs/dbraw/zinc/27/26/48/715272648.db2.gz FGRKLRXLPPVQBB-HNNXBMFYSA-N 2 1 334.460 2.573 20 10 EFCDMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(O)c1OC ZINC000892237471 715400618 /nfs/dbraw/zinc/40/06/18/715400618.db2.gz ZQLSSKNMMMUEEF-WMLDXEAASA-N 2 1 346.471 2.858 20 10 EFCDMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(O)c1OC ZINC000892237471 715400621 /nfs/dbraw/zinc/40/06/21/715400621.db2.gz ZQLSSKNMMMUEEF-WMLDXEAASA-N 2 1 346.471 2.858 20 10 EFCDMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(O)c1OC ZINC000892237471 715400623 /nfs/dbraw/zinc/40/06/23/715400623.db2.gz ZQLSSKNMMMUEEF-WMLDXEAASA-N 2 1 346.471 2.858 20 10 EFCDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894070551 720266337 /nfs/dbraw/zinc/26/63/37/720266337.db2.gz CPUCHKUSUFOMON-HNNXBMFYSA-N 2 1 328.403 2.603 20 10 EFCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894070551 720266343 /nfs/dbraw/zinc/26/63/43/720266343.db2.gz CPUCHKUSUFOMON-HNNXBMFYSA-N 2 1 328.403 2.603 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000157379817 728137961 /nfs/dbraw/zinc/13/79/61/728137961.db2.gz QHIJVYLSJVDIJA-UZLBHIALSA-N 2 1 331.504 2.984 20 10 EFCDMP COC(=O)c1c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c2cc(F)ccc2n1C ZINC001578850249 1090453643 /nfs/dbraw/zinc/45/36/43/1090453643.db2.gz BNYNZTBMAKOOJK-INIZCTEOSA-N 2 1 349.450 2.909 20 10 EFCDMP COC(=O)c1c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c2cc(F)ccc2n1C ZINC001578850249 1090453646 /nfs/dbraw/zinc/45/36/46/1090453646.db2.gz BNYNZTBMAKOOJK-INIZCTEOSA-N 2 1 349.450 2.909 20 10 EFCDMP Cc1cc(C[NH+]2CCC([NH2+]CCO)CC2)ccc1N1CCCCC1 ZINC001579598322 1090640360 /nfs/dbraw/zinc/64/03/60/1090640360.db2.gz PLSDSLXOMLFKJX-UHFFFAOYSA-N 2 1 331.504 2.532 20 10 EFCDMP CC[NH+](CC)CCN1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461905 1102407906 /nfs/dbraw/zinc/40/79/06/1102407906.db2.gz XILGEIOJAHJCMY-UHFFFAOYSA-N 2 1 325.884 2.505 20 10 EFCDMP C[C@@H]1C[C@H](NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[N@@H+]1C1CC1 ZINC000898449696 1108942536 /nfs/dbraw/zinc/94/25/36/1108942536.db2.gz JGAUFPLXWKVVCQ-SYNHAJSKSA-N 2 1 330.520 2.570 20 10 EFCDMP C[C@@H]1C[C@H](NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[N@H+]1C1CC1 ZINC000898449696 1108942542 /nfs/dbraw/zinc/94/25/42/1108942542.db2.gz JGAUFPLXWKVVCQ-SYNHAJSKSA-N 2 1 330.520 2.570 20 10 EFCDMP C[C@@H]1C[C@@H](NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[N@@H+]1C1CC1 ZINC000898449697 1108943166 /nfs/dbraw/zinc/94/31/66/1108943166.db2.gz JGAUFPLXWKVVCQ-WRWLIDTKSA-N 2 1 330.520 2.570 20 10 EFCDMP C[C@@H]1C[C@@H](NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[N@H+]1C1CC1 ZINC000898449697 1108943169 /nfs/dbraw/zinc/94/31/69/1108943169.db2.gz JGAUFPLXWKVVCQ-WRWLIDTKSA-N 2 1 330.520 2.570 20 10 EFCDMP CCC[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CC[NH2+]C1 ZINC001236834342 1118164538 /nfs/dbraw/zinc/16/45/38/1118164538.db2.gz HRZNFHZMDQRQIW-LBPRGKRZSA-N 2 1 327.266 2.976 20 10 EFCDMP C[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000177386465 530050438 /nfs/dbraw/zinc/05/04/38/530050438.db2.gz PZAGLGBILDXDBH-HNNXBMFYSA-N 2 1 339.430 2.941 20 10 EFCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000364452034 242299194 /nfs/dbraw/zinc/29/91/94/242299194.db2.gz WBCRJDMCGQRUEN-RYQLBKOJSA-N 2 1 347.478 2.940 20 10 EFCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423090477 278613034 /nfs/dbraw/zinc/61/30/34/278613034.db2.gz XRUGXYUMEBCSPE-RCCFBDPRSA-N 2 1 327.472 2.733 20 10 EFCDMP Oc1cc2c(cc1C[NH2+]C1CC[NH+](Cc3ccccc3)CC1)OCO2 ZINC000063255903 472761544 /nfs/dbraw/zinc/76/15/44/472761544.db2.gz OSMPNYTVOIWUFO-UHFFFAOYSA-N 2 1 340.423 2.875 20 10 EFCDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000106854743 472898500 /nfs/dbraw/zinc/89/85/00/472898500.db2.gz MGQCUCITKHUFBN-SFHVURJKSA-N 2 1 339.483 2.757 20 10 EFCDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC000185367148 473407373 /nfs/dbraw/zinc/40/73/73/473407373.db2.gz FUNMBUURXNJYPE-KRWDZBQOSA-N 2 1 345.531 2.949 20 10 EFCDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@H](C)C1 ZINC000151526524 473469649 /nfs/dbraw/zinc/46/96/49/473469649.db2.gz SYDRMKTWWMPPLN-DNVCBOLYSA-N 2 1 349.494 2.607 20 10 EFCDMP C[NH+](CCOCC[N@H+](C)Cc1ccccc1O)Cc1ccccc1O ZINC000178693885 473544901 /nfs/dbraw/zinc/54/49/01/473544901.db2.gz ZUFLSNLAGHZCHP-UHFFFAOYSA-N 2 1 344.455 2.678 20 10 EFCDMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1O ZINC000186197275 473614253 /nfs/dbraw/zinc/61/42/53/473614253.db2.gz JIRRGKVMFIRYEU-ZDUSSCGKSA-N 2 1 333.407 2.718 20 10 EFCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(F)ccc1O ZINC000186520422 473685431 /nfs/dbraw/zinc/68/54/31/473685431.db2.gz DZUXFRXUWQJUKF-KDOFPFPSSA-N 2 1 344.430 2.949 20 10 EFCDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(F)ccc3O)CC2)C[C@H](C)O1 ZINC000180001210 473773872 /nfs/dbraw/zinc/77/38/72/473773872.db2.gz CJEJQXKNHWWJML-GASCZTMLSA-N 2 1 336.451 2.853 20 10 EFCDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)ccc1O ZINC000282507618 474091814 /nfs/dbraw/zinc/09/18/14/474091814.db2.gz YOXMATNNFPABKY-CYBMUJFWSA-N 2 1 325.884 2.722 20 10 EFCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1O ZINC000183723755 474419019 /nfs/dbraw/zinc/41/90/19/474419019.db2.gz HDFIOQIWOKFXKK-YJBOKZPZSA-N 2 1 326.440 2.810 20 10 EFCDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(F)c3[O-])CC2)C[C@H](C)O1 ZINC000272312905 474608641 /nfs/dbraw/zinc/60/86/41/474608641.db2.gz SALGQLYBCVUVOC-GASCZTMLSA-N 2 1 336.451 2.853 20 10 EFCDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(F)c3O)CC2)C[C@H](C)O1 ZINC000272312905 474608652 /nfs/dbraw/zinc/60/86/52/474608652.db2.gz SALGQLYBCVUVOC-GASCZTMLSA-N 2 1 336.451 2.853 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000273622758 474994179 /nfs/dbraw/zinc/99/41/79/474994179.db2.gz ZOJGCTCLCDALJS-CABCVRRESA-N 2 1 334.460 2.950 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000273622758 474994184 /nfs/dbraw/zinc/99/41/84/474994184.db2.gz ZOJGCTCLCDALJS-CABCVRRESA-N 2 1 334.460 2.950 20 10 EFCDMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000268838957 475046511 /nfs/dbraw/zinc/04/65/11/475046511.db2.gz MRRSYSBGSZKGGZ-YLJYHZDGSA-N 2 1 331.504 2.784 20 10 EFCDMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000159278690 528988051 /nfs/dbraw/zinc/98/80/51/528988051.db2.gz HLHTWGWFGJMIRS-HNNXBMFYSA-N 2 1 335.467 2.797 20 10 EFCDMP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1O ZINC000367616616 535808456 /nfs/dbraw/zinc/80/84/56/535808456.db2.gz LQSUHNKRYSRYSJ-CRAIPNDOSA-N 2 1 335.467 2.741 20 10 EFCDMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000763606748 576382502 /nfs/dbraw/zinc/38/25/02/576382502.db2.gz PCPUJRQKZVESHX-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000763606748 576382505 /nfs/dbraw/zinc/38/25/05/576382505.db2.gz PCPUJRQKZVESHX-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765140866 577011759 /nfs/dbraw/zinc/01/17/59/577011759.db2.gz HGVONDDUCFYZON-INIZCTEOSA-N 2 1 328.460 2.769 20 10 EFCDMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000765473346 577044947 /nfs/dbraw/zinc/04/49/47/577044947.db2.gz XPHSBGHQBWYGOV-QGZVFWFLSA-N 2 1 331.504 2.986 20 10 EFCDMP COC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000771841856 581249654 /nfs/dbraw/zinc/24/96/54/581249654.db2.gz GGMZCORZRXLURM-GOSISDBHSA-N 2 1 329.444 2.509 20 10 EFCDMP C[C@H](C[NH+]1CCC(C)CC1)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850386196 1250457627 /nfs/dbraw/zinc/45/76/27/1250457627.db2.gz HFRRYKBIFCMTLW-LJQANCHMSA-N 2 1 344.547 2.648 20 10 EFCDMP Oc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125508 1260536951 /nfs/dbraw/zinc/53/69/51/1260536951.db2.gz XLBFEMOCGVUCEO-STQMWFEESA-N 2 1 339.277 2.976 20 10 EFCDMP Oc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125508 1260536954 /nfs/dbraw/zinc/53/69/54/1260536954.db2.gz XLBFEMOCGVUCEO-STQMWFEESA-N 2 1 339.277 2.976 20 10 EFCDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000701073964 1269867242 /nfs/dbraw/zinc/86/72/42/1269867242.db2.gz GJALGVRLRQPOIH-LBPRGKRZSA-N 2 1 327.266 2.975 20 10 EFCDMP Cc1cc(O)c(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000742372548 1270027945 /nfs/dbraw/zinc/02/79/45/1270027945.db2.gz PNQSGXXAAFUYIV-NRFANRHFSA-N 2 1 340.467 2.736 20 10 EFCDMP Cc1cc(O)c(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000742372548 1270027953 /nfs/dbraw/zinc/02/79/53/1270027953.db2.gz PNQSGXXAAFUYIV-NRFANRHFSA-N 2 1 340.467 2.736 20 10 EFCDMP COc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000742374648 1270029358 /nfs/dbraw/zinc/02/93/58/1270029358.db2.gz BGFDXHIVGDKBCV-GWCFXTLKSA-N 2 1 343.265 2.736 20 10 EFCDMP COc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000742374648 1270029366 /nfs/dbraw/zinc/02/93/66/1270029366.db2.gz BGFDXHIVGDKBCV-GWCFXTLKSA-N 2 1 343.265 2.736 20 10 EFCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000702566659 1271496379 /nfs/dbraw/zinc/49/63/79/1271496379.db2.gz MTAIQLHCVXGHQO-QRWLVFNGSA-N 2 1 344.430 2.819 20 10 EFCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000702566659 1271496383 /nfs/dbraw/zinc/49/63/83/1271496383.db2.gz MTAIQLHCVXGHQO-QRWLVFNGSA-N 2 1 344.430 2.819 20 10 EFCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702603460 1271555554 /nfs/dbraw/zinc/55/55/54/1271555554.db2.gz NDVGXCUEBIAPDZ-OXQOHEQNSA-N 2 1 326.440 2.680 20 10 EFCDMP C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CCC[C@H]1C[NH3+] ZINC001206003147 1272721437 /nfs/dbraw/zinc/72/14/37/1272721437.db2.gz FKQOXZIDBIKFCC-RYUDHWBXSA-N 2 1 327.266 2.962 20 10 EFCDMP [O-]c1cc(Br)ccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000691446127 1274068386 /nfs/dbraw/zinc/06/83/86/1274068386.db2.gz RQCOFZYOPUHMET-UHFFFAOYSA-N 2 1 325.250 2.871 20 10 EFCDMP Oc1cccc(Br)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000706853930 1275053013 /nfs/dbraw/zinc/05/30/13/1275053013.db2.gz NQHVVPIFFITQCG-NWDGAFQWSA-N 2 1 325.250 2.871 20 10 EFCDMP Oc1cccc(Br)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000706853930 1275053017 /nfs/dbraw/zinc/05/30/17/1275053017.db2.gz NQHVVPIFFITQCG-NWDGAFQWSA-N 2 1 325.250 2.871 20 10 EFCDMP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000818221954 1276493439 /nfs/dbraw/zinc/49/34/39/1276493439.db2.gz PTXNUSGPRXGBQK-ZHALLVOQSA-N 2 1 329.488 2.738 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@@H](C)C1 ZINC000818344142 1276511492 /nfs/dbraw/zinc/51/14/92/1276511492.db2.gz JUARENPNVBUMOD-ZWOKBUDYSA-N 2 1 331.504 2.841 20 10 EFCDMP COc1ccc(N2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC000818342723 1276511760 /nfs/dbraw/zinc/51/17/60/1276511760.db2.gz UXEPNQIAFORMKB-WELJNPPOSA-N 2 1 329.488 2.736 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](C(C)(C)C)C3)cc2)CC1 ZINC000790930882 1277853357 /nfs/dbraw/zinc/85/33/57/1277853357.db2.gz JXAZTSNVYINCEZ-IBGZPJMESA-N 2 1 331.504 2.685 20 10 EFCDMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1O ZINC000844902465 1279324889 /nfs/dbraw/zinc/32/48/89/1279324889.db2.gz NCZLMNPZUXLALN-YXJHDRRASA-N 2 1 334.460 2.509 20 10 EFCDMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1O ZINC000844902464 1279325302 /nfs/dbraw/zinc/32/53/02/1279325302.db2.gz NCZLMNPZUXLALN-QILLFSRXSA-N 2 1 334.460 2.509 20 10 EFCDMP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001146600033 1280948077 /nfs/dbraw/zinc/94/80/77/1280948077.db2.gz DSUSHHMOUBVLAQ-IRXDYDNUSA-N 2 1 349.519 2.717 20 10 EFCDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809767501 1282430482 /nfs/dbraw/zinc/43/04/82/1282430482.db2.gz MZORJKSBCHSRTH-IEBWSBKVSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809767501 1282430485 /nfs/dbraw/zinc/43/04/85/1282430485.db2.gz MZORJKSBCHSRTH-IEBWSBKVSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809767501 1282430488 /nfs/dbraw/zinc/43/04/88/1282430488.db2.gz MZORJKSBCHSRTH-IEBWSBKVSA-N 2 1 347.478 2.578 20 10 EFCDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(Cl)c1O ZINC000809737937 1282437532 /nfs/dbraw/zinc/43/75/32/1282437532.db2.gz MSWZIWWYGJZKOP-INIZCTEOSA-N 2 1 339.911 2.894 20 10 EFCDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(Cl)c1O ZINC000809737937 1282437536 /nfs/dbraw/zinc/43/75/36/1282437536.db2.gz MSWZIWWYGJZKOP-INIZCTEOSA-N 2 1 339.911 2.894 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]3(C)CCCO)cc2)CC1 ZINC000809756124 1282458446 /nfs/dbraw/zinc/45/84/46/1282458446.db2.gz DGZLEJQRPXGRST-FQEVSTJZSA-N 2 1 331.504 2.565 20 10 EFCDMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810238081 1283088861 /nfs/dbraw/zinc/08/88/61/1283088861.db2.gz XXWIKPGSKCWGED-UKRRQHHQSA-N 2 1 332.366 2.518 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000811510673 1284391110 /nfs/dbraw/zinc/39/11/10/1284391110.db2.gz MSICSDFXBBWEJZ-VQTJNVASSA-N 2 1 343.515 2.828 20 10 EFCDMP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000747854570 1285875635 /nfs/dbraw/zinc/87/56/35/1285875635.db2.gz OWJOHDMBRUYOMQ-NRFANRHFSA-N 2 1 341.499 2.949 20 10 EFCDMP Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873222352 1289653956 /nfs/dbraw/zinc/65/39/56/1289653956.db2.gz OLUVAQXRRQUVCU-NSHDSACASA-N 2 1 327.266 2.941 20 10 EFCDMP CC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](CC)O1 ZINC000817412071 1288590433 /nfs/dbraw/zinc/59/04/33/1288590433.db2.gz CLFLZYCRIVFEBC-BGYRXZFFSA-N 2 1 331.504 2.828 20 10 EFCDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cn1cccn1 ZINC000873061274 1289545323 /nfs/dbraw/zinc/54/53/23/1289545323.db2.gz RAELXANEGIQLPQ-CRAIPNDOSA-N 2 1 328.460 2.512 20 10 EFCDMP COC1CC[NH+](C2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)CC1 ZINC001232841626 1312793049 /nfs/dbraw/zinc/79/30/49/1312793049.db2.gz MXZHELKTEJCTQQ-UHFFFAOYSA-N 2 1 347.503 2.533 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876757998 1291009571 /nfs/dbraw/zinc/00/95/71/1291009571.db2.gz HDALQXVNHGRJPP-XLIONFOSSA-N 2 1 345.531 2.952 20 10 EFCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876757998 1291009580 /nfs/dbraw/zinc/00/95/80/1291009580.db2.gz HDALQXVNHGRJPP-XLIONFOSSA-N 2 1 345.531 2.952 20 10 EFCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876757998 1291009589 /nfs/dbraw/zinc/00/95/89/1291009589.db2.gz HDALQXVNHGRJPP-XLIONFOSSA-N 2 1 345.531 2.952 20 10 EFCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876775024 1291017824 /nfs/dbraw/zinc/01/78/24/1291017824.db2.gz MJYMOXDVQUQDFU-LJQANCHMSA-N 2 1 345.531 2.811 20 10 EFCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876775024 1291017828 /nfs/dbraw/zinc/01/78/28/1291017828.db2.gz MJYMOXDVQUQDFU-LJQANCHMSA-N 2 1 345.531 2.811 20 10 EFCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876775024 1291017836 /nfs/dbraw/zinc/01/78/36/1291017836.db2.gz MJYMOXDVQUQDFU-LJQANCHMSA-N 2 1 345.531 2.811 20 10 EFCDMP Cc1cccc(O)c1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000876874432 1291055083 /nfs/dbraw/zinc/05/50/83/1291055083.db2.gz FOVIAVUAEALUKX-FQEVSTJZSA-N 2 1 339.483 2.779 20 10 EFCDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093693208 1291195783 /nfs/dbraw/zinc/19/57/83/1291195783.db2.gz YEWWNZZXHHARFK-LJQANCHMSA-N 2 1 331.504 2.687 20 10 EFCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093693208 1291195788 /nfs/dbraw/zinc/19/57/88/1291195788.db2.gz YEWWNZZXHHARFK-LJQANCHMSA-N 2 1 331.504 2.687 20 10 EFCDMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000093769918 1291214018 /nfs/dbraw/zinc/21/40/18/1291214018.db2.gz CKGGJKJTUYXNLF-GFCCVEGCSA-N 2 1 327.266 2.928 20 10 EFCDMP Cc1cccc(O)c1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000877441836 1291235314 /nfs/dbraw/zinc/23/53/14/1291235314.db2.gz ONMGMXQPHWELEC-OAQYLSRUSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1cccc(O)c1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000877441836 1291235321 /nfs/dbraw/zinc/23/53/21/1291235321.db2.gz ONMGMXQPHWELEC-OAQYLSRUSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1cccc(O)c1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000877441836 1291235328 /nfs/dbraw/zinc/23/53/28/1291235328.db2.gz ONMGMXQPHWELEC-OAQYLSRUSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1cccc(O)c1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000877441836 1291235333 /nfs/dbraw/zinc/23/53/33/1291235333.db2.gz ONMGMXQPHWELEC-OAQYLSRUSA-N 2 1 340.467 2.769 20 10 EFCDMP COCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C1CCN(C)CC1 ZINC001233289786 1312896554 /nfs/dbraw/zinc/89/65/54/1312896554.db2.gz OFWFYHIGMGBBOU-UHFFFAOYSA-N 2 1 342.867 2.597 20 10 EFCDMP COCCN(Cc1cc(Cl)cc(OC)c1O)C1CC[NH+](C)CC1 ZINC001233289786 1312896556 /nfs/dbraw/zinc/89/65/56/1312896556.db2.gz OFWFYHIGMGBBOU-UHFFFAOYSA-N 2 1 342.867 2.597 20 10 EFCDMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccccc2O)CC3)cn1 ZINC001203553015 1312955225 /nfs/dbraw/zinc/95/52/25/1312955225.db2.gz YMAVXHOHTBZXGC-UHFFFAOYSA-N 2 1 340.471 2.756 20 10 EFCDMP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccccc2O)CC3)cn1 ZINC001203553015 1312955228 /nfs/dbraw/zinc/95/52/28/1312955228.db2.gz YMAVXHOHTBZXGC-UHFFFAOYSA-N 2 1 340.471 2.756 20 10 EFCDMP COc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1O ZINC001203590321 1312964911 /nfs/dbraw/zinc/96/49/11/1312964911.db2.gz WWNBXOOUMLYZRT-FQEVSTJZSA-N 2 1 348.487 2.724 20 10 EFCDMP COc1cccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1O ZINC001203590321 1312964914 /nfs/dbraw/zinc/96/49/14/1312964914.db2.gz WWNBXOOUMLYZRT-FQEVSTJZSA-N 2 1 348.487 2.724 20 10 EFCDMP COc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1O ZINC001203590321 1312964918 /nfs/dbraw/zinc/96/49/18/1312964918.db2.gz WWNBXOOUMLYZRT-FQEVSTJZSA-N 2 1 348.487 2.724 20 10 EFCDMP COc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1O ZINC001203590321 1312964922 /nfs/dbraw/zinc/96/49/22/1312964922.db2.gz WWNBXOOUMLYZRT-FQEVSTJZSA-N 2 1 348.487 2.724 20 10 EFCDMP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001203627733 1312974926 /nfs/dbraw/zinc/97/49/26/1312974926.db2.gz MIXIZGLLFGFKEH-KDURUIRLSA-N 2 1 338.451 2.965 20 10 EFCDMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882943525 1293395631 /nfs/dbraw/zinc/39/56/31/1293395631.db2.gz XGQUSAFWZBOLQZ-UHFFFAOYSA-N 2 1 336.382 2.901 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)cc2)CC1 ZINC000775659627 1293943417 /nfs/dbraw/zinc/94/34/17/1293943417.db2.gz ZOQNUOZPTOISQC-GOSISDBHSA-N 2 1 339.487 2.541 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3c3ncc[nH]3)cc2)CC1 ZINC000775667292 1293990716 /nfs/dbraw/zinc/99/07/16/1293990716.db2.gz HUBHGGKBBUDXTR-LJQANCHMSA-N 2 1 339.487 2.889 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3c3ncc[nH]3)cc2)CC1 ZINC000775667292 1293990724 /nfs/dbraw/zinc/99/07/24/1293990724.db2.gz HUBHGGKBBUDXTR-LJQANCHMSA-N 2 1 339.487 2.889 20 10 EFCDMP CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775737866 1294345157 /nfs/dbraw/zinc/34/51/57/1294345157.db2.gz NVADHOALQAWBBK-HXUWFJFHSA-N 2 1 331.504 2.685 20 10 EFCDMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775830925 1294921391 /nfs/dbraw/zinc/92/13/91/1294921391.db2.gz NKJRLJWYUHPATJ-DYESRHJHSA-N 2 1 341.499 2.896 20 10 EFCDMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775830925 1294921400 /nfs/dbraw/zinc/92/14/00/1294921400.db2.gz NKJRLJWYUHPATJ-DYESRHJHSA-N 2 1 341.499 2.896 20 10 EFCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1c(O)cccc1F ZINC000886587662 1295035568 /nfs/dbraw/zinc/03/55/68/1295035568.db2.gz CKYSSJCNTBTWJR-RHSMWYFYSA-N 2 1 344.430 2.949 20 10 EFCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1c(O)cccc1F ZINC000886587662 1295035576 /nfs/dbraw/zinc/03/55/76/1295035576.db2.gz CKYSSJCNTBTWJR-RHSMWYFYSA-N 2 1 344.430 2.949 20 10 EFCDMP COc1ccc2ccc(O)c(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)c2c1 ZINC001234535592 1313149113 /nfs/dbraw/zinc/14/91/13/1313149113.db2.gz BJOHEXPGNZHHQV-CVEARBPZSA-N 2 1 326.440 2.938 20 10 EFCDMP COc1ccc2ccc(O)c(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)c2c1 ZINC001234535592 1313149115 /nfs/dbraw/zinc/14/91/15/1313149115.db2.gz BJOHEXPGNZHHQV-CVEARBPZSA-N 2 1 326.440 2.938 20 10 EFCDMP COc1ccc2ccc(O)c(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)c2c1 ZINC001234535592 1313149118 /nfs/dbraw/zinc/14/91/18/1313149118.db2.gz BJOHEXPGNZHHQV-CVEARBPZSA-N 2 1 326.440 2.938 20 10 EFCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)ccc4ccc(OC)cc43)C[C@@H]2C1 ZINC001234570281 1313160384 /nfs/dbraw/zinc/16/03/84/1313160384.db2.gz XUHXWAXYTVGMTP-IYBDPMFKSA-N 2 1 326.440 2.938 20 10 EFCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)ccc4ccc(OC)cc43)C[C@@H]2C1 ZINC001234570281 1313160386 /nfs/dbraw/zinc/16/03/86/1313160386.db2.gz XUHXWAXYTVGMTP-IYBDPMFKSA-N 2 1 326.440 2.938 20 10 EFCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(O)ccc4ccc(OC)cc43)C[C@@H]2C1 ZINC001234570281 1313160390 /nfs/dbraw/zinc/16/03/90/1313160390.db2.gz XUHXWAXYTVGMTP-IYBDPMFKSA-N 2 1 326.440 2.938 20 10 EFCDMP CC[NH+]1CCN(c2ccc(O[C@H]3[C@@H]4CCC[C@H]3C[N@H+](C)C4)cc2)CC1 ZINC001234660988 1313180119 /nfs/dbraw/zinc/18/01/19/1313180119.db2.gz NXXYMOHBZJELCS-WGMWDUQUSA-N 2 1 343.515 2.938 20 10 EFCDMP Oc1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001275266937 1296246651 /nfs/dbraw/zinc/24/66/51/1296246651.db2.gz GQSSZRNBMIZQJN-UHFFFAOYSA-N 2 1 326.444 2.603 20 10 EFCDMP Oc1ccc(O)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001275419148 1296277973 /nfs/dbraw/zinc/27/79/73/1296277973.db2.gz ROHYCXXZRUSZPY-IYBDPMFKSA-N 2 1 341.455 2.770 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c2ccccc2n1C ZINC001205280879 1313264164 /nfs/dbraw/zinc/26/41/64/1313264164.db2.gz KWIAJVYKHGDYQT-IBGZPJMESA-N 2 1 329.444 2.668 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(Br)c1 ZINC001205288126 1313264743 /nfs/dbraw/zinc/26/47/43/1313264743.db2.gz GNDCSDPAXQBCNJ-HNNXBMFYSA-N 2 1 343.265 2.867 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(Br)c1 ZINC001205288126 1313264747 /nfs/dbraw/zinc/26/47/47/1313264747.db2.gz GNDCSDPAXQBCNJ-HNNXBMFYSA-N 2 1 343.265 2.867 20 10 EFCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001205289288 1313264904 /nfs/dbraw/zinc/26/49/04/1313264904.db2.gz WDZRNAWKUUMSGD-GOSISDBHSA-N 2 1 337.895 2.880 20 10 EFCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001205581928 1313317842 /nfs/dbraw/zinc/31/78/42/1313317842.db2.gz VKFGLBDUHJDHRR-AWEZNQCLSA-N 2 1 336.329 2.944 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)cc2)CC1 ZINC001205627231 1313325741 /nfs/dbraw/zinc/32/57/41/1313325741.db2.gz ODVXHNKRNDLCBY-QUCCMNQESA-N 3 1 344.547 2.635 20 10 EFCDMP COC(=O)c1c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c2ccccc2n1C ZINC001205637891 1313328333 /nfs/dbraw/zinc/32/83/33/1313328333.db2.gz JTHOAGUCOJYASN-GJZGRUSLSA-N 2 1 343.471 2.772 20 10 EFCDMP C[C@@H]1CC[N@@H+](Cc2cc(O)c(Br)cc2O)CC[C@@H]1C[NH3+] ZINC001205651125 1313331253 /nfs/dbraw/zinc/33/12/53/1313331253.db2.gz AIWFVKOZDFLMHE-GHMZBOCLSA-N 2 1 343.265 2.667 20 10 EFCDMP C[N@@H+](CCCc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235669366 1313370822 /nfs/dbraw/zinc/37/08/22/1313370822.db2.gz GNBYWIHBIVXTHE-UHFFFAOYSA-N 2 1 339.483 2.866 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CCC3CC[NH2+]CC3)cc2)CC1 ZINC001235716417 1313383103 /nfs/dbraw/zinc/38/31/03/1313383103.db2.gz AUOKOFVFXMEIST-UHFFFAOYSA-N 3 1 344.547 2.650 20 10 EFCDMP Cc1cc(C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)c(C)n1-c1ccccc1 ZINC001236071860 1313437055 /nfs/dbraw/zinc/43/70/55/1313437055.db2.gz BKSASUZCCGWSRY-NRFANRHFSA-N 2 1 338.499 2.701 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)c2ccccc21 ZINC001236073572 1313437761 /nfs/dbraw/zinc/43/77/61/1313437761.db2.gz PAVKZCNUDDAMNK-SFHVURJKSA-N 2 1 338.499 2.513 20 10 EFCDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001236082009 1313439920 /nfs/dbraw/zinc/43/99/20/1313439920.db2.gz VFFBHXXWJDSYOL-UHFFFAOYSA-N 2 1 339.911 2.680 20 10 EFCDMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001206370237 1313443528 /nfs/dbraw/zinc/44/35/28/1313443528.db2.gz MLMZTJFLAXNXRD-CQSZACIVSA-N 2 1 336.329 2.944 20 10 EFCDMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001206370237 1313443529 /nfs/dbraw/zinc/44/35/29/1313443529.db2.gz MLMZTJFLAXNXRD-CQSZACIVSA-N 2 1 336.329 2.944 20 10 EFCDMP C[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216884 1313457395 /nfs/dbraw/zinc/45/73/95/1313457395.db2.gz LVWDKMYYUFAVEI-QZTJIDSGSA-N 2 1 329.488 2.793 20 10 EFCDMP C[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216886 1313457471 /nfs/dbraw/zinc/45/74/71/1313457471.db2.gz LVWDKMYYUFAVEI-ZWKOTPCHSA-N 2 1 329.488 2.793 20 10 EFCDMP Clc1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320925 1313468948 /nfs/dbraw/zinc/46/89/48/1313468948.db2.gz MHFQYEPABKURHU-IYBDPMFKSA-N 2 1 349.906 2.608 20 10 EFCDMP Oc1cccc(OC(F)(F)F)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321653 1313469438 /nfs/dbraw/zinc/46/94/38/1313469438.db2.gz VBDLAUHTJMAZEY-TXEJJXNPSA-N 2 1 330.350 2.722 20 10 EFCDMP CCOC(=O)c1c(C[N@H+](CC)C[C@@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001236409832 1313476899 /nfs/dbraw/zinc/47/68/99/1313476899.db2.gz XKVOAYBNWKFOEQ-OAHLLOKOSA-N 2 1 343.471 2.786 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+](CC)C[C@@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001236409832 1313476903 /nfs/dbraw/zinc/47/69/03/1313476903.db2.gz XKVOAYBNWKFOEQ-OAHLLOKOSA-N 2 1 343.471 2.786 20 10 EFCDMP CCOC(=O)c1c(C[N@H+](CC)C[C@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001236409831 1313477202 /nfs/dbraw/zinc/47/72/02/1313477202.db2.gz XKVOAYBNWKFOEQ-HNNXBMFYSA-N 2 1 343.471 2.786 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+](CC)C[C@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001236409831 1313477203 /nfs/dbraw/zinc/47/72/03/1313477203.db2.gz XKVOAYBNWKFOEQ-HNNXBMFYSA-N 2 1 343.471 2.786 20 10 EFCDMP CC[N@@H+](Cc1cc(O)c(Br)cc1O)C1CCN(C)CC1 ZINC001236775499 1313526886 /nfs/dbraw/zinc/52/68/86/1313526886.db2.gz MYUXIPHNTIIWDT-UHFFFAOYSA-N 2 1 343.265 2.776 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)C[C@@]3(C)CO)c(F)c2)CC1 ZINC001236933130 1313556658 /nfs/dbraw/zinc/55/66/58/1313556658.db2.gz VGDUASVPIJYHNZ-FQEVSTJZSA-N 2 1 349.494 2.560 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(CO)CC3)c(F)c2)CC1 ZINC001236933057 1313556937 /nfs/dbraw/zinc/55/69/37/1313556937.db2.gz UAROOQOPOMSZIR-HXUWFJFHSA-N 2 1 349.494 2.562 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(C3)CCCOC4)c(F)c2)CC1 ZINC001236941785 1313558235 /nfs/dbraw/zinc/55/82/35/1313558235.db2.gz FPNQJQMYNSTFQH-FQEVSTJZSA-N 2 1 347.478 2.580 20 10 EFCDMP CC(C)c1ccc(C[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)c(O)c1 ZINC001237054562 1313578160 /nfs/dbraw/zinc/57/81/60/1313578160.db2.gz CNYQNPGOLPMCML-UHFFFAOYSA-N 2 1 345.531 2.975 20 10 EFCDMP Oc1c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001237390495 1313634647 /nfs/dbraw/zinc/63/46/47/1313634647.db2.gz IRXDQVSWMDNDEU-LPHOPBHVSA-N 2 1 341.499 2.665 20 10 EFCDMP Oc1cc(O)c(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)cc1O ZINC001276516841 1313638434 /nfs/dbraw/zinc/63/84/34/1313638434.db2.gz RSAWQCGNXIESOQ-GASCZTMLSA-N 2 1 346.471 2.890 20 10 EFCDMP Oc1cc(O)c(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)cc1O ZINC001276516841 1313638438 /nfs/dbraw/zinc/63/84/38/1313638438.db2.gz RSAWQCGNXIESOQ-GASCZTMLSA-N 2 1 346.471 2.890 20 10 EFCDMP Oc1cc(O)c(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)cc1O ZINC001276516841 1313638442 /nfs/dbraw/zinc/63/84/42/1313638442.db2.gz RSAWQCGNXIESOQ-GASCZTMLSA-N 2 1 346.471 2.890 20 10 EFCDMP Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237414970 1313640773 /nfs/dbraw/zinc/64/07/73/1313640773.db2.gz NSARNFDYRPXPDH-SWLSCSKDSA-N 2 1 344.377 2.907 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853241708 1300063143 /nfs/dbraw/zinc/06/31/43/1300063143.db2.gz XEYISNNIACDFNW-HOCLYGCPSA-N 2 1 346.471 2.951 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853241708 1300063149 /nfs/dbraw/zinc/06/31/49/1300063149.db2.gz XEYISNNIACDFNW-HOCLYGCPSA-N 2 1 346.471 2.951 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853241705 1300063185 /nfs/dbraw/zinc/06/31/85/1300063185.db2.gz XEYISNNIACDFNW-GOEBONIOSA-N 2 1 346.471 2.951 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853241705 1300063194 /nfs/dbraw/zinc/06/31/94/1300063194.db2.gz XEYISNNIACDFNW-GOEBONIOSA-N 2 1 346.471 2.951 20 10 EFCDMP CC[NH+](CC)CCN1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237680800 1313690822 /nfs/dbraw/zinc/69/08/22/1313690822.db2.gz HUEKOYNYKSAWFD-UHFFFAOYSA-N 2 1 339.911 2.813 20 10 EFCDMP CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(O)c1 ZINC000863646980 1302667432 /nfs/dbraw/zinc/66/74/32/1302667432.db2.gz UBSIKWSTQRWKDJ-OCCSQVGLSA-N 2 1 332.366 2.750 20 10 EFCDMP CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(O)c1 ZINC000863646980 1302667439 /nfs/dbraw/zinc/66/74/39/1302667439.db2.gz UBSIKWSTQRWKDJ-OCCSQVGLSA-N 2 1 332.366 2.750 20 10 EFCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001209520174 1314179321 /nfs/dbraw/zinc/17/93/21/1314179321.db2.gz PUAUNRZFZYPWCT-UHFFFAOYSA-N 2 1 340.515 2.773 20 10 EFCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222085640 1311081798 /nfs/dbraw/zinc/08/17/98/1311081798.db2.gz GDDBLQXEYRKMQY-UHFFFAOYSA-N 2 1 338.499 2.622 20 10 EFCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222497299 1311141552 /nfs/dbraw/zinc/14/15/52/1311141552.db2.gz BMGULWBUBUJONZ-SFTDATJTSA-N 2 1 338.499 2.620 20 10 EFCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222497299 1311141554 /nfs/dbraw/zinc/14/15/54/1311141554.db2.gz BMGULWBUBUJONZ-SFTDATJTSA-N 2 1 338.499 2.620 20 10 EFCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(OC)c1 ZINC001222623174 1311162874 /nfs/dbraw/zinc/16/28/74/1311162874.db2.gz DMAAJOHQPAXDNA-CALCHBBNSA-N 2 1 331.504 2.973 20 10 EFCDMP [NH3+]C1CCN(c2cc[nH+]c(NCc3cc4ccccc4cc3O)n2)CC1 ZINC001160207993 1311664946 /nfs/dbraw/zinc/66/49/46/1311664946.db2.gz ZZPNPWSJQPSFHZ-UHFFFAOYSA-N 2 1 349.438 2.875 20 10 EFCDMP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000902518332 1311827834 /nfs/dbraw/zinc/82/78/34/1311827834.db2.gz PDQKPDULGHVMBV-BQJUDKOJSA-N 2 1 344.547 2.866 20 10 EFCDMP Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1O ZINC001277519885 1312500414 /nfs/dbraw/zinc/50/04/14/1312500414.db2.gz PNIQNTZAKMSTEK-HXUWFJFHSA-N 2 1 349.494 2.689 20 10 EFCDMP COc1cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c(O)cc1O ZINC001231634155 1312536139 /nfs/dbraw/zinc/53/61/39/1312536139.db2.gz CQONZSWGIROSRM-UHFFFAOYSA-N 2 1 343.427 2.549 20 10 EFCDMP COc1cc[nH+]c(N2CC[NH+](Cc3c(C)cc(C)cc3O)CC2)c1 ZINC001231848376 1312574269 /nfs/dbraw/zinc/57/42/69/1312574269.db2.gz HJLGWDLKFLPIMV-UHFFFAOYSA-N 2 1 327.428 2.735 20 10 EFCDMP CC[NH+](CC)CCN1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231869670 1312578082 /nfs/dbraw/zinc/57/80/82/1312578082.db2.gz VPJNLIDUPQBJLG-UHFFFAOYSA-N 2 1 339.911 2.813 20 10 EFCDMP CCOc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](C(C)C)C3)CC2)cc1 ZINC001246948774 1314713010 /nfs/dbraw/zinc/71/30/10/1314713010.db2.gz LQYCXTOPWLQQJO-ICSRJNTNSA-N 2 1 331.504 2.984 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1OC ZINC001276788967 1315211412 /nfs/dbraw/zinc/21/14/12/1315211412.db2.gz FFLDLVRFJNUVKU-LJQANCHMSA-N 2 1 334.460 2.717 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1OC ZINC001276788967 1315211416 /nfs/dbraw/zinc/21/14/16/1315211416.db2.gz FFLDLVRFJNUVKU-LJQANCHMSA-N 2 1 334.460 2.717 20 10 EFCDMP COc1cc(O)c(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1OC ZINC001276788967 1315211420 /nfs/dbraw/zinc/21/14/20/1315211420.db2.gz FFLDLVRFJNUVKU-LJQANCHMSA-N 2 1 334.460 2.717 20 10 EFCDMP COc1cc(O)c(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1OC ZINC001276788967 1315211423 /nfs/dbraw/zinc/21/14/23/1315211423.db2.gz FFLDLVRFJNUVKU-LJQANCHMSA-N 2 1 334.460 2.717 20 10 EFCDMP CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318396733 1328574564 /nfs/dbraw/zinc/57/45/64/1328574564.db2.gz JOBPXGGEGVQNBU-AZUAARDMSA-N 2 1 348.510 2.540 20 10 EFCDMP CCc1ccc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276805408 1315318185 /nfs/dbraw/zinc/31/81/85/1315318185.db2.gz WJSANUWXJVYSRL-NRFANRHFSA-N 2 1 345.531 2.804 20 10 EFCDMP COc1c(O)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000827844316 1316021877 /nfs/dbraw/zinc/02/18/77/1316021877.db2.gz KRSQRLXGOUJWME-UHFFFAOYSA-N 2 1 349.431 2.521 20 10 EFCDMP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001257042158 1316024366 /nfs/dbraw/zinc/02/43/66/1316024366.db2.gz ZDTRQGJMKKWSQZ-YJBOKZPZSA-N 2 1 346.471 2.678 20 10 EFCDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(N)cc3)c2)CCO1 ZINC001262487779 1316469299 /nfs/dbraw/zinc/46/92/99/1316469299.db2.gz FQQFGDFFKIZSNM-MRXNPFEDSA-N 2 1 325.456 2.779 20 10 EFCDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(N)cc3)c2)CCO1 ZINC001262487779 1316469301 /nfs/dbraw/zinc/46/93/01/1316469301.db2.gz FQQFGDFFKIZSNM-MRXNPFEDSA-N 2 1 325.456 2.779 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(CCO)CCCC3)cc2F)CC1 ZINC001318934482 1328744416 /nfs/dbraw/zinc/74/44/16/1328744416.db2.gz UUTNHQOFAGKRFL-UHFFFAOYSA-N 2 1 349.494 2.610 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC(F)(F)C3)cc2F)CC1 ZINC001320080451 1329071238 /nfs/dbraw/zinc/07/12/38/1329071238.db2.gz BKROCYQRBDATNP-AWEZNQCLSA-N 2 1 327.394 2.855 20 10 EFCDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N3CCCC3)cc2)CCCO1 ZINC001320785219 1329301842 /nfs/dbraw/zinc/30/18/42/1329301842.db2.gz BDKXPROORIGYEV-SFHVURJKSA-N 2 1 331.504 2.877 20 10 EFCDMP CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320870017 1329312529 /nfs/dbraw/zinc/31/25/29/1329312529.db2.gz WCHZVWWETPMIIT-FQEVSTJZSA-N 2 1 349.494 2.705 20 10 EFCDMP CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320870017 1329312531 /nfs/dbraw/zinc/31/25/31/1329312531.db2.gz WCHZVWWETPMIIT-FQEVSTJZSA-N 2 1 349.494 2.705 20 10 EFCDMP CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320870017 1329312533 /nfs/dbraw/zinc/31/25/33/1329312533.db2.gz WCHZVWWETPMIIT-FQEVSTJZSA-N 2 1 349.494 2.705 20 10 EFCDMP CCO[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001324166316 1329604939 /nfs/dbraw/zinc/60/49/39/1329604939.db2.gz CTKSCFKRPSRNSR-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP CCO[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001324166316 1329604940 /nfs/dbraw/zinc/60/49/40/1329604940.db2.gz CTKSCFKRPSRNSR-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]C3(C4CC4)CCOCC3)cc2F)CC1 ZINC001325557790 1329697026 /nfs/dbraw/zinc/69/70/26/1329697026.db2.gz FUBGSAWRLIBMEK-UHFFFAOYSA-N 2 1 347.478 2.626 20 10 EFCDMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001325745378 1329709912 /nfs/dbraw/zinc/70/99/12/1329709912.db2.gz XSIHXGLYAJGBRP-ZIAGYGMSSA-N 2 1 325.884 2.825 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CCO)CC3)cc2F)CC1 ZINC001327589857 1330498930 /nfs/dbraw/zinc/49/89/30/1330498930.db2.gz IJQDSGQYFSONHS-QGZVFWFLSA-N 2 1 349.494 2.562 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CCO)CC3)cc2F)CC1 ZINC001327589857 1330498931 /nfs/dbraw/zinc/49/89/31/1330498931.db2.gz IJQDSGQYFSONHS-QGZVFWFLSA-N 2 1 349.494 2.562 20 10 EFCDMP CC(C)O[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001329506080 1330713412 /nfs/dbraw/zinc/71/34/12/1330713412.db2.gz DLYULOZZPHOYLN-QGZVFWFLSA-N 2 1 335.467 2.577 20 10 EFCDMP CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001329506080 1330713416 /nfs/dbraw/zinc/71/34/16/1330713416.db2.gz DLYULOZZPHOYLN-QGZVFWFLSA-N 2 1 335.467 2.577 20 10 EFCDMP C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C2CC2)O1 ZINC001339602689 1331910405 /nfs/dbraw/zinc/91/04/05/1331910405.db2.gz AFLCCZRAUMEWHS-MGPUTAFESA-N 2 1 347.478 2.577 20 10 EFCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001344578243 1332464483 /nfs/dbraw/zinc/46/44/83/1332464483.db2.gz CSNFFZYQPOBLDD-JKSUJKDBSA-N 2 1 331.504 2.865 20 10 EFCDMP CCC[C@]1(CO)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001347236595 1332726306 /nfs/dbraw/zinc/72/63/06/1332726306.db2.gz AEUXOXDJNOEPJQ-FQEVSTJZSA-N 2 1 349.494 2.562 20 10 EFCDMP CCC[C@]1(CO)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001347236595 1332726309 /nfs/dbraw/zinc/72/63/09/1332726309.db2.gz AEUXOXDJNOEPJQ-FQEVSTJZSA-N 2 1 349.494 2.562 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1F ZINC000848929131 1334993762 /nfs/dbraw/zinc/99/37/62/1334993762.db2.gz AXGRKEOHPODVQW-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP CN(C)c1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1F ZINC000848929131 1334993765 /nfs/dbraw/zinc/99/37/65/1334993765.db2.gz AXGRKEOHPODVQW-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000237403834 720000528 /nfs/dbraw/zinc/00/05/28/720000528.db2.gz HYXSZRLYFSOMEL-HNNXBMFYSA-N 2 1 346.450 2.593 20 10 EFCDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)C[C@@H]21 ZINC000220348491 720886523 /nfs/dbraw/zinc/88/65/23/720886523.db2.gz DSRUDECEUIWUIX-DDTOSNHZSA-N 2 1 325.250 2.714 20 10 EFCDMP CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCC[NH2+]C1 ZINC000226439079 728245907 /nfs/dbraw/zinc/24/59/07/728245907.db2.gz MNCGOHDRHCUJRB-GFCCVEGCSA-N 2 1 327.266 2.976 20 10 EFCDMP CC[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CCC[NH2+]C1 ZINC000226439084 728246005 /nfs/dbraw/zinc/24/60/05/728246005.db2.gz MNCGOHDRHCUJRB-LBPRGKRZSA-N 2 1 327.266 2.976 20 10 EFCDMP COC1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC001578940868 1090484094 /nfs/dbraw/zinc/48/40/94/1090484094.db2.gz LJWJMCMVJNMGRN-YYWHXJBOSA-N 2 1 343.515 2.861 20 10 EFCDMP COC1CCN(c2ccc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC001578941086 1090484192 /nfs/dbraw/zinc/48/41/92/1090484192.db2.gz ODJGYOWWGJGRLS-FUHWJXTLSA-N 2 1 331.504 2.861 20 10 EFCDMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC001580185316 1090805347 /nfs/dbraw/zinc/80/53/47/1090805347.db2.gz WRPLCWPMVXOXPM-NVXWUHKLSA-N 2 1 342.842 2.903 20 10 EFCDMP C[NH+](C)C1CCC([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001168324604 1106771862 /nfs/dbraw/zinc/77/18/62/1106771862.db2.gz RAWGLOZGWZVWQG-UHFFFAOYSA-N 2 1 331.504 2.828 20 10 EFCDMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000904359567 1107841229 /nfs/dbraw/zinc/84/12/29/1107841229.db2.gz BTYQVUFQCOPTIK-MRXNPFEDSA-N 2 1 337.483 2.906 20 10 EFCDMP C[C@@H]1C[C@H](NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[N@@H+]1C1CC1 ZINC000898449695 1108943102 /nfs/dbraw/zinc/94/31/02/1108943102.db2.gz JGAUFPLXWKVVCQ-OXFYSEKESA-N 2 1 330.520 2.570 20 10 EFCDMP C[C@@H]1C[C@H](NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[N@H+]1C1CC1 ZINC000898449695 1108943109 /nfs/dbraw/zinc/94/31/09/1108943109.db2.gz JGAUFPLXWKVVCQ-OXFYSEKESA-N 2 1 330.520 2.570 20 10 EFCDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1O ZINC000183433473 1118725835 /nfs/dbraw/zinc/72/58/35/1118725835.db2.gz DNZFOKOQZZLDBX-KRWDZBQOSA-N 2 1 339.483 2.990 20 10 EFCDMP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000295673405 241060009 /nfs/dbraw/zinc/06/00/09/241060009.db2.gz KJGIDDMZGNCBSU-IBGZPJMESA-N 2 1 347.528 2.787 20 10 EFCDMP Cc1ccc(O)c(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000092665907 472957720 /nfs/dbraw/zinc/95/77/20/472957720.db2.gz WNPOQFAFMAJBRF-HDICACEKSA-N 2 1 331.504 2.691 20 10 EFCDMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1O ZINC000186197296 473614194 /nfs/dbraw/zinc/61/41/94/473614194.db2.gz JIRRGKVMFIRYEU-CYBMUJFWSA-N 2 1 333.407 2.718 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000271089465 474401765 /nfs/dbraw/zinc/40/17/65/474401765.db2.gz KHHJVYUNIKIMIB-HNNXBMFYSA-N 2 1 334.460 2.573 20 10 EFCDMP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc(Cl)c1O ZINC000289854182 474454980 /nfs/dbraw/zinc/45/49/80/474454980.db2.gz QFXXUVKTSMWUQK-UHFFFAOYSA-N 2 1 327.900 2.751 20 10 EFCDMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268806597 475043205 /nfs/dbraw/zinc/04/32/05/475043205.db2.gz CUAYIVOEFVLJHI-AEFFLSMTSA-N 2 1 349.494 2.923 20 10 EFCDMP C[N@@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377630269 476487574 /nfs/dbraw/zinc/48/75/74/476487574.db2.gz QHRPGJDWADWKJF-QGZVFWFLSA-N 2 1 337.895 2.646 20 10 EFCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754735841 575480397 /nfs/dbraw/zinc/48/03/97/575480397.db2.gz DLTKWVLVQYGKLX-QGZVFWFLSA-N 2 1 336.476 2.642 20 10 EFCDMP C[C@@H]1C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2c1c(F)ccc2O ZINC000756533527 575756068 /nfs/dbraw/zinc/75/60/68/575756068.db2.gz IOLMWLIGAJZRRC-PBHICJAKSA-N 2 1 349.494 2.943 20 10 EFCDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c(O)c1C ZINC000756563302 575763232 /nfs/dbraw/zinc/76/32/32/575763232.db2.gz OCJOYYPENBJNNS-MRXNPFEDSA-N 2 1 347.503 2.602 20 10 EFCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762790205 576331701 /nfs/dbraw/zinc/33/17/01/576331701.db2.gz YQZBYXJFCUHEQL-FXAWDEMLSA-N 2 1 331.504 2.784 20 10 EFCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762790205 576331702 /nfs/dbraw/zinc/33/17/02/576331702.db2.gz YQZBYXJFCUHEQL-FXAWDEMLSA-N 2 1 331.504 2.784 20 10 EFCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768465797 577276312 /nfs/dbraw/zinc/27/63/12/577276312.db2.gz LQSFVLMDBLGKON-QGZVFWFLSA-N 2 1 336.476 2.642 20 10 EFCDMP CCN(C)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000773823596 581466328 /nfs/dbraw/zinc/46/63/28/581466328.db2.gz UWLMHUKZQQIGCL-RXVVDRJESA-N 2 1 344.547 2.601 20 10 EFCDMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1N(C)C ZINC000923386486 1261595060 /nfs/dbraw/zinc/59/50/60/1261595060.db2.gz BYTMMVSBJULZBG-NLWGTHIKSA-N 2 1 331.504 2.779 20 10 EFCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000702554796 1271478870 /nfs/dbraw/zinc/47/88/70/1271478870.db2.gz XOEUWAPKJRTLFE-LAUBAEHRSA-N 2 1 340.467 2.988 20 10 EFCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000702554796 1271478882 /nfs/dbraw/zinc/47/88/82/1271478882.db2.gz XOEUWAPKJRTLFE-LAUBAEHRSA-N 2 1 340.467 2.988 20 10 EFCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702603456 1271556229 /nfs/dbraw/zinc/55/62/29/1271556229.db2.gz NDVGXCUEBIAPDZ-OXJNMPFZSA-N 2 1 326.440 2.680 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139675 1272700551 /nfs/dbraw/zinc/70/05/51/1272700551.db2.gz DCSAXZIPKOZOJK-ACDBMABISA-N 2 1 329.488 2.580 20 10 EFCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139675 1272700557 /nfs/dbraw/zinc/70/05/57/1272700557.db2.gz DCSAXZIPKOZOJK-ACDBMABISA-N 2 1 329.488 2.580 20 10 EFCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139675 1272700562 /nfs/dbraw/zinc/70/05/62/1272700562.db2.gz DCSAXZIPKOZOJK-ACDBMABISA-N 2 1 329.488 2.580 20 10 EFCDMP Cc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c(O)c1 ZINC000788593860 1276235730 /nfs/dbraw/zinc/23/57/30/1276235730.db2.gz SFMJNCUKPRACHX-MRXNPFEDSA-N 2 1 347.503 2.602 20 10 EFCDMP C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1c[nH+]ccc1N ZINC000817888403 1276348296 /nfs/dbraw/zinc/34/82/96/1276348296.db2.gz LDZNKRLGSUIFTP-CQSZACIVSA-N 2 1 328.485 2.898 20 10 EFCDMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894170 1276362966 /nfs/dbraw/zinc/36/29/66/1276362966.db2.gz KJXOIWNIAXOSFU-QZTJIDSGSA-N 2 1 335.467 2.536 20 10 EFCDMP CCN1CCN(c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cc2F)CC1 ZINC000817902416 1276367293 /nfs/dbraw/zinc/36/72/93/1276367293.db2.gz QFQDPCHCWZHIGP-UHFFFAOYSA-N 2 1 348.510 2.575 20 10 EFCDMP CCN1CCN(c2ccc(C[NH2+][C@H](C)CCCC[NH3+])cc2F)CC1 ZINC000817902564 1276367365 /nfs/dbraw/zinc/36/73/65/1276367365.db2.gz UIULWYNILYSCHC-MRXNPFEDSA-N 2 1 336.499 2.575 20 10 EFCDMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817937326 1276383393 /nfs/dbraw/zinc/38/33/93/1276383393.db2.gz YCSSUADAYNLYCS-IRXDYDNUSA-N 2 1 339.430 2.551 20 10 EFCDMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817937323 1276383950 /nfs/dbraw/zinc/38/39/50/1276383950.db2.gz YCSSUADAYNLYCS-DLBZAZTESA-N 2 1 339.430 2.551 20 10 EFCDMP C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000790934312 1277853498 /nfs/dbraw/zinc/85/34/98/1277853498.db2.gz KHKARUHHZGHOSL-PXNSSMCTSA-N 2 1 331.504 2.564 20 10 EFCDMP CN1CCN(c2ccc(C[NH2+]CCCCC[NH+]3CCCC3)cc2)CC1 ZINC000815151408 1287331194 /nfs/dbraw/zinc/33/11/94/1287331194.db2.gz NXBXMTKQPGMIEZ-UHFFFAOYSA-N 2 1 344.547 2.794 20 10 EFCDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)C1 ZINC000844902513 1279324112 /nfs/dbraw/zinc/32/41/12/1279324112.db2.gz OIPDXHLPNHBUAF-OZVIIMIRSA-N 2 1 342.842 2.903 20 10 EFCDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)C1 ZINC000844902513 1279324116 /nfs/dbraw/zinc/32/41/16/1279324116.db2.gz OIPDXHLPNHBUAF-OZVIIMIRSA-N 2 1 342.842 2.903 20 10 EFCDMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1O ZINC000844902466 1279325835 /nfs/dbraw/zinc/32/58/35/1279325835.db2.gz NCZLMNPZUXLALN-ZVZYQTTQSA-N 2 1 334.460 2.509 20 10 EFCDMP CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846027757 1279986951 /nfs/dbraw/zinc/98/69/51/1279986951.db2.gz QAPRDPQDWHHUSV-GOSISDBHSA-N 2 1 331.504 2.828 20 10 EFCDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c(O)cccc1Cl ZINC000809738574 1282437358 /nfs/dbraw/zinc/43/73/58/1282437358.db2.gz ZLCADLINNLQIPZ-OAHLLOKOSA-N 2 1 339.911 2.894 20 10 EFCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000809750174 1282450671 /nfs/dbraw/zinc/45/06/71/1282450671.db2.gz PSDYYOMXLQKWSA-UHFFFAOYSA-N 2 1 331.504 2.831 20 10 EFCDMP C[NH+](C)C[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815577157 1287608532 /nfs/dbraw/zinc/60/85/32/1287608532.db2.gz IBBBPWTYYMGWTK-IEBWSBKVSA-N 2 1 328.456 2.578 20 10 EFCDMP CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000810179693 1283007144 /nfs/dbraw/zinc/00/71/44/1283007144.db2.gz DVYNFLUJVLQEIP-GOSISDBHSA-N 2 1 332.536 2.648 20 10 EFCDMP CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000810179693 1283007153 /nfs/dbraw/zinc/00/71/53/1283007153.db2.gz DVYNFLUJVLQEIP-GOSISDBHSA-N 2 1 332.536 2.648 20 10 EFCDMP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000815582789 1287612093 /nfs/dbraw/zinc/61/20/93/1287612093.db2.gz PIOYVINDZXLKLW-NSHDSACASA-N 2 1 332.366 2.518 20 10 EFCDMP [NH3+]C1CCN(c2nc(NCc3cc4ccccc4cc3O)cc[nH+]2)CC1 ZINC001171402555 1283493442 /nfs/dbraw/zinc/49/34/42/1283493442.db2.gz PRBRHVXPUVXCLN-UHFFFAOYSA-N 2 1 349.438 2.875 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC001172107949 1286022283 /nfs/dbraw/zinc/02/22/83/1286022283.db2.gz MGARBNNKXZKRDM-NUZGMZIFSA-N 3 1 342.531 2.543 20 10 EFCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120911 1286030321 /nfs/dbraw/zinc/03/03/21/1286030321.db2.gz HFDWUYJVCSSGIX-AERCQKQUSA-N 2 1 343.515 2.970 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120911 1286030322 /nfs/dbraw/zinc/03/03/22/1286030322.db2.gz HFDWUYJVCSSGIX-AERCQKQUSA-N 2 1 343.515 2.970 20 10 EFCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120911 1286030323 /nfs/dbraw/zinc/03/03/23/1286030323.db2.gz HFDWUYJVCSSGIX-AERCQKQUSA-N 2 1 343.515 2.970 20 10 EFCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120911 1286030325 /nfs/dbraw/zinc/03/03/25/1286030325.db2.gz HFDWUYJVCSSGIX-AERCQKQUSA-N 2 1 343.515 2.970 20 10 EFCDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Br ZINC001206196399 1286485569 /nfs/dbraw/zinc/48/55/69/1286485569.db2.gz BZMCLYDWXCAMBS-CHWSQXEVSA-N 2 1 331.229 2.724 20 10 EFCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Br ZINC001206196399 1286485573 /nfs/dbraw/zinc/48/55/73/1286485573.db2.gz BZMCLYDWXCAMBS-CHWSQXEVSA-N 2 1 331.229 2.724 20 10 EFCDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)C1 ZINC000816507186 1288177172 /nfs/dbraw/zinc/17/71/72/1288177172.db2.gz YPHYBEOUVOJSCZ-LJQANCHMSA-N 2 1 339.483 2.757 20 10 EFCDMP C[NH+](C)CCOC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816507492 1288178854 /nfs/dbraw/zinc/17/88/54/1288178854.db2.gz IIIUSQOFZFZLDW-UHFFFAOYSA-N 2 1 330.831 2.727 20 10 EFCDMP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816512038 1288180771 /nfs/dbraw/zinc/18/07/71/1288180771.db2.gz VLXMKXGIGBYKBW-UHFFFAOYSA-N 2 1 328.456 2.824 20 10 EFCDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc3ccccc3c2O)CC1(C)C ZINC000816599620 1288221127 /nfs/dbraw/zinc/22/11/27/1288221127.db2.gz STQKIXXVSYDWRE-UHFFFAOYSA-N 2 1 327.472 2.661 20 10 EFCDMP C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000816641671 1288227260 /nfs/dbraw/zinc/22/72/60/1288227260.db2.gz BMXOUGGJSLMIOL-HXUWFJFHSA-N 2 1 347.478 2.580 20 10 EFCDMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000816641671 1288227267 /nfs/dbraw/zinc/22/72/67/1288227267.db2.gz BMXOUGGJSLMIOL-HXUWFJFHSA-N 2 1 347.478 2.580 20 10 EFCDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000816641671 1288227274 /nfs/dbraw/zinc/22/72/74/1288227274.db2.gz BMXOUGGJSLMIOL-HXUWFJFHSA-N 2 1 347.478 2.580 20 10 EFCDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000816641671 1288227278 /nfs/dbraw/zinc/22/72/78/1288227278.db2.gz BMXOUGGJSLMIOL-HXUWFJFHSA-N 2 1 347.478 2.580 20 10 EFCDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000816641671 1288227286 /nfs/dbraw/zinc/22/72/86/1288227286.db2.gz BMXOUGGJSLMIOL-HXUWFJFHSA-N 2 1 347.478 2.580 20 10 EFCDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(N(C)C)cc3)CC2)CC1 ZINC000817285764 1288503975 /nfs/dbraw/zinc/50/39/75/1288503975.db2.gz NQVVESOOURGILO-UHFFFAOYSA-N 2 1 344.547 2.745 20 10 EFCDMP C[N@@H+](Cc1cccc(CN2CCOCC2)c1)Cc1ccccc1O ZINC000817275980 1288519961 /nfs/dbraw/zinc/51/99/61/1288519961.db2.gz PQQSKILYZBJZKO-UHFFFAOYSA-N 2 1 326.440 2.856 20 10 EFCDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cn1cccn1 ZINC000873013716 1289519030 /nfs/dbraw/zinc/51/90/30/1289519030.db2.gz GJBDVLFXHSYYCP-RBUKOAKNSA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cn1cccn1 ZINC000873013716 1289519042 /nfs/dbraw/zinc/51/90/42/1289519042.db2.gz GJBDVLFXHSYYCP-RBUKOAKNSA-N 2 1 340.471 2.656 20 10 EFCDMP Cc1cc(O)c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000825697582 1290045626 /nfs/dbraw/zinc/04/56/26/1290045626.db2.gz HITAPIJQTHPNPZ-CQSZACIVSA-N 2 1 326.868 2.945 20 10 EFCDMP Cc1cc(O)c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000825697582 1290045635 /nfs/dbraw/zinc/04/56/35/1290045635.db2.gz HITAPIJQTHPNPZ-CQSZACIVSA-N 2 1 326.868 2.945 20 10 EFCDMP Cc1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c(O)c1 ZINC000876875146 1291055368 /nfs/dbraw/zinc/05/53/68/1291055368.db2.gz QHXYQHUQFBGQAP-FQEVSTJZSA-N 2 1 339.483 2.779 20 10 EFCDMP Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(O)c1 ZINC000876886140 1291057982 /nfs/dbraw/zinc/05/79/82/1291057982.db2.gz VJQHMBCLPDWDSY-KRWDZBQOSA-N 2 1 345.512 2.840 20 10 EFCDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1O ZINC000248523915 1291108647 /nfs/dbraw/zinc/10/86/47/1291108647.db2.gz STSZUSQLBFDANU-KBXCAEBGSA-N 2 1 344.430 2.949 20 10 EFCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1O ZINC000248523915 1291108650 /nfs/dbraw/zinc/10/86/50/1291108650.db2.gz STSZUSQLBFDANU-KBXCAEBGSA-N 2 1 344.430 2.949 20 10 EFCDMP COc1cc(O)c(C[N@@H+](C)C2CCN(C)CC2)cc1Br ZINC001233134765 1312861928 /nfs/dbraw/zinc/86/19/28/1312861928.db2.gz DBDKFKOGBBUGLF-UHFFFAOYSA-N 2 1 343.265 2.689 20 10 EFCDMP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3O)C[C@H]2C1 ZINC001233775729 1312989963 /nfs/dbraw/zinc/98/99/63/1312989963.db2.gz BIWUXTWCTWYMJP-CHWSQXEVSA-N 2 1 330.350 2.674 20 10 EFCDMP [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000883085697 1293456105 /nfs/dbraw/zinc/45/61/05/1293456105.db2.gz XEEDTSZXSMQFKA-QGZVFWFLSA-N 2 1 348.393 2.527 20 10 EFCDMP Oc1c(F)cc(F)cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000883085697 1293456112 /nfs/dbraw/zinc/45/61/12/1293456112.db2.gz XEEDTSZXSMQFKA-QGZVFWFLSA-N 2 1 348.393 2.527 20 10 EFCDMP Oc1c(F)cc(F)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000883085697 1293456114 /nfs/dbraw/zinc/45/61/14/1293456114.db2.gz XEEDTSZXSMQFKA-QGZVFWFLSA-N 2 1 348.393 2.527 20 10 EFCDMP CCN(CC)c1ccc(C[N@H+](CCC[NH+](C)C)CCC(=O)OC)cc1 ZINC001203939971 1313051788 /nfs/dbraw/zinc/05/17/88/1313051788.db2.gz YWAFEEQMGCBWOD-UHFFFAOYSA-N 2 1 349.519 2.850 20 10 EFCDMP CCN(CC)c1ccc(C[N@@H+](CCC[NH+](C)C)CCC(=O)OC)cc1 ZINC001203939971 1313051791 /nfs/dbraw/zinc/05/17/91/1313051791.db2.gz YWAFEEQMGCBWOD-UHFFFAOYSA-N 2 1 349.519 2.850 20 10 EFCDMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCC1(F)F ZINC001205788690 1294377401 /nfs/dbraw/zinc/37/74/01/1294377401.db2.gz PTTVFBUVIRPODD-JTQLQIEISA-N 2 1 340.292 2.707 20 10 EFCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCC1(F)F ZINC001205788690 1294377406 /nfs/dbraw/zinc/37/74/06/1294377406.db2.gz PTTVFBUVIRPODD-JTQLQIEISA-N 2 1 340.292 2.707 20 10 EFCDMP Oc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001204273612 1313113516 /nfs/dbraw/zinc/11/35/16/1313113516.db2.gz SCTHFJHYNARRAZ-GJZGRUSLSA-N 2 1 330.453 2.723 20 10 EFCDMP CC(C)(C)c1cc(O)c(C[N@@H+]2CCO[C@H](CC[NH3+])C2)cc1Cl ZINC001204757539 1313191607 /nfs/dbraw/zinc/19/16/07/1313191607.db2.gz ZKJQXIUNDFLSHA-CYBMUJFWSA-N 2 1 326.868 2.893 20 10 EFCDMP CC(C)(C)c1cc(O)c(C[N@H+]2CCO[C@H](CC[NH3+])C2)cc1Cl ZINC001204757539 1313191609 /nfs/dbraw/zinc/19/16/09/1313191609.db2.gz ZKJQXIUNDFLSHA-CYBMUJFWSA-N 2 1 326.868 2.893 20 10 EFCDMP CN1CCC([N@@H+](CCO)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000305161557 1295959380 /nfs/dbraw/zinc/95/93/80/1295959380.db2.gz BRYCIGWEQGVUBG-UHFFFAOYSA-N 2 1 331.504 2.565 20 10 EFCDMP C[NH+]1CCC([N@H+](CCO)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000305161557 1295959392 /nfs/dbraw/zinc/95/93/92/1295959392.db2.gz BRYCIGWEQGVUBG-UHFFFAOYSA-N 2 1 331.504 2.565 20 10 EFCDMP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000305161557 1295959408 /nfs/dbraw/zinc/95/94/08/1295959408.db2.gz BRYCIGWEQGVUBG-UHFFFAOYSA-N 2 1 331.504 2.565 20 10 EFCDMP OCC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000305300260 1296077942 /nfs/dbraw/zinc/07/79/42/1296077942.db2.gz HKRVFBYVUVYWTR-PZJWPPBQSA-N 2 1 343.515 2.612 20 10 EFCDMP OCC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000305300259 1296078593 /nfs/dbraw/zinc/07/85/93/1296078593.db2.gz HKRVFBYVUVYWTR-FPOVZHCZSA-N 2 1 343.515 2.612 20 10 EFCDMP Oc1c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc2c3c1CCCN3CCC2 ZINC001234994776 1313219226 /nfs/dbraw/zinc/21/92/26/1313219226.db2.gz VZQSIQDLECADJC-OAQYLSRUSA-N 2 1 341.499 2.667 20 10 EFCDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(-c2ccccc2)c1O ZINC001234997218 1313219289 /nfs/dbraw/zinc/21/92/89/1313219289.db2.gz VRQFIBGNCRYIOV-UHFFFAOYSA-N 2 1 339.483 2.738 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c2ccccc2n1C ZINC001205117151 1313235947 /nfs/dbraw/zinc/23/59/47/1313235947.db2.gz MBKRDCSWMKOPCC-AWEZNQCLSA-N 2 1 329.444 2.668 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CCC[C@H]([NH3+])CC2)c2ccccc2n1C ZINC001205117151 1313235951 /nfs/dbraw/zinc/23/59/51/1313235951.db2.gz MBKRDCSWMKOPCC-AWEZNQCLSA-N 2 1 329.444 2.668 20 10 EFCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)Cc2ccccc21 ZINC001205164835 1313244249 /nfs/dbraw/zinc/24/42/49/1313244249.db2.gz SGHUEYUTYHMVOK-MRXNPFEDSA-N 2 1 337.467 2.921 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c2ccccc21 ZINC001205209694 1313251663 /nfs/dbraw/zinc/25/16/63/1313251663.db2.gz JZHPSDBWSKDGCB-FQEVSTJZSA-N 2 1 327.472 2.582 20 10 EFCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205220875 1313253373 /nfs/dbraw/zinc/25/33/73/1313253373.db2.gz MWCPWMUOVLVUJW-HXUWFJFHSA-N 2 1 327.472 2.770 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)cc2)CC1 ZINC001205273181 1313263066 /nfs/dbraw/zinc/26/30/66/1313263066.db2.gz HBLDHXMFNXXZLF-HXUWFJFHSA-N 3 1 330.520 2.532 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c2ccccc2n1C ZINC001205280880 1313263797 /nfs/dbraw/zinc/26/37/97/1313263797.db2.gz KWIAJVYKHGDYQT-LJQANCHMSA-N 2 1 329.444 2.668 20 10 EFCDMP COc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(O)cc1Br ZINC001205289564 1313265050 /nfs/dbraw/zinc/26/50/50/1313265050.db2.gz ZBVHLOMAUNDQRP-HNNXBMFYSA-N 2 1 343.265 2.867 20 10 EFCDMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(O)cc1Br ZINC001205289564 1313265054 /nfs/dbraw/zinc/26/50/54/1313265054.db2.gz ZBVHLOMAUNDQRP-HNNXBMFYSA-N 2 1 343.265 2.867 20 10 EFCDMP CN1CCOc2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc21 ZINC001235424352 1313318228 /nfs/dbraw/zinc/31/82/28/1313318228.db2.gz HBSLPTUWVQGGAF-ZWKOTPCHSA-N 2 1 329.488 2.727 20 10 EFCDMP CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235492499 1313336479 /nfs/dbraw/zinc/33/64/79/1313336479.db2.gz AXQVTMFXOBYDHH-CTNGQTDRSA-N 2 1 343.515 2.735 20 10 EFCDMP CCN(CC)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)c1 ZINC001205767894 1313352549 /nfs/dbraw/zinc/35/25/49/1313352549.db2.gz CABVZTMVSDVMGP-AWEZNQCLSA-N 2 1 327.419 2.654 20 10 EFCDMP [NH3+]C[C@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC1(F)F ZINC001205777243 1313353774 /nfs/dbraw/zinc/35/37/74/1313353774.db2.gz AWMWKZSKIGKAAD-KRWDZBQOSA-N 2 1 335.442 2.801 20 10 EFCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC1(F)F ZINC001205777243 1313353776 /nfs/dbraw/zinc/35/37/76/1313353776.db2.gz AWMWKZSKIGKAAD-KRWDZBQOSA-N 2 1 335.442 2.801 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c2ccccc2n1C ZINC001205912935 1313375309 /nfs/dbraw/zinc/37/53/09/1313375309.db2.gz FFEBWLRJVIPAKN-CABCVRRESA-N 2 1 343.471 2.914 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c2ccccc2n1C ZINC001205912935 1313375313 /nfs/dbraw/zinc/37/53/13/1313375313.db2.gz FFEBWLRJVIPAKN-CABCVRRESA-N 2 1 343.471 2.914 20 10 EFCDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(Br)ccc1O ZINC001235714390 1313382960 /nfs/dbraw/zinc/38/29/60/1313382960.db2.gz KPOQVVZAKAINTA-UHFFFAOYSA-N 2 1 327.266 2.976 20 10 EFCDMP CCc1ccc(C[N@@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2O)cc1 ZINC001235960592 1313423196 /nfs/dbraw/zinc/42/31/96/1313423196.db2.gz UQRIZRTVEHMAFX-UHFFFAOYSA-N 2 1 339.483 2.996 20 10 EFCDMP CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235963470 1313423497 /nfs/dbraw/zinc/42/34/97/1313423497.db2.gz URGWLTFSSLVAMM-UHFFFAOYSA-N 2 1 343.446 2.963 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c2ccccc2n1C ZINC001206317219 1313435327 /nfs/dbraw/zinc/43/53/27/1313435327.db2.gz DBMCSFYFYDFIQR-HXUWFJFHSA-N 2 1 343.471 2.916 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)c(F)c2)CC1 ZINC001206327308 1313436873 /nfs/dbraw/zinc/43/68/73/1313436873.db2.gz VDNOKKLFXOSPTH-HXUWFJFHSA-N 3 1 348.510 2.528 20 10 EFCDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)(C[NH3+])CC3)c(F)c2)CC1 ZINC001206327308 1313436877 /nfs/dbraw/zinc/43/68/77/1313436877.db2.gz VDNOKKLFXOSPTH-HXUWFJFHSA-N 2 1 348.510 2.528 20 10 EFCDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)c(F)c2)CC1 ZINC001206327308 1313436879 /nfs/dbraw/zinc/43/68/79/1313436879.db2.gz VDNOKKLFXOSPTH-HXUWFJFHSA-N 2 1 348.510 2.528 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)c(F)c2)CC1 ZINC001206327307 1313437299 /nfs/dbraw/zinc/43/72/99/1313437299.db2.gz VDNOKKLFXOSPTH-FQEVSTJZSA-N 3 1 348.510 2.528 20 10 EFCDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(C[NH3+])CC3)c(F)c2)CC1 ZINC001206327307 1313437301 /nfs/dbraw/zinc/43/73/01/1313437301.db2.gz VDNOKKLFXOSPTH-FQEVSTJZSA-N 2 1 348.510 2.528 20 10 EFCDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)c(F)c2)CC1 ZINC001206327307 1313437302 /nfs/dbraw/zinc/43/73/02/1313437302.db2.gz VDNOKKLFXOSPTH-FQEVSTJZSA-N 2 1 348.510 2.528 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC001236214340 1313456781 /nfs/dbraw/zinc/45/67/81/1313456781.db2.gz DHDRWSIWOQOAHW-WOJBJXKFSA-N 3 1 330.520 2.530 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC001236214340 1313456784 /nfs/dbraw/zinc/45/67/84/1313456784.db2.gz DHDRWSIWOQOAHW-WOJBJXKFSA-N 3 1 330.520 2.530 20 10 EFCDMP Oc1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001236314721 1313467586 /nfs/dbraw/zinc/46/75/86/1313467586.db2.gz FXIWDWAHKQPPIU-CALCHBBNSA-N 2 1 341.499 2.522 20 10 EFCDMP COc1cc(Br)cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1O ZINC001206615570 1313484589 /nfs/dbraw/zinc/48/45/89/1313484589.db2.gz JDKQCHFRZSRKFJ-LLVKDONJSA-N 2 1 343.265 2.724 20 10 EFCDMP COc1cc(Br)cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1O ZINC001206615570 1313484591 /nfs/dbraw/zinc/48/45/91/1313484591.db2.gz JDKQCHFRZSRKFJ-LLVKDONJSA-N 2 1 343.265 2.724 20 10 EFCDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001206615526 1313484614 /nfs/dbraw/zinc/48/46/14/1313484614.db2.gz HIFQCCGDANORLU-HNNXBMFYSA-N 2 1 329.488 2.652 20 10 EFCDMP Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001236664912 1313505776 /nfs/dbraw/zinc/50/57/76/1313505776.db2.gz HHFGQBJECRYEOC-OCCSQVGLSA-N 2 1 339.277 2.847 20 10 EFCDMP Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001236664912 1313505779 /nfs/dbraw/zinc/50/57/79/1313505779.db2.gz HHFGQBJECRYEOC-OCCSQVGLSA-N 2 1 339.277 2.847 20 10 EFCDMP Cc1cc(Br)c(O)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001236664912 1313505780 /nfs/dbraw/zinc/50/57/80/1313505780.db2.gz HHFGQBJECRYEOC-OCCSQVGLSA-N 2 1 339.277 2.847 20 10 EFCDMP Cc1cc(Br)c(O)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001236664912 1313505783 /nfs/dbraw/zinc/50/57/83/1313505783.db2.gz HHFGQBJECRYEOC-OCCSQVGLSA-N 2 1 339.277 2.847 20 10 EFCDMP Cc1cc(Br)c(O)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001236664912 1313505787 /nfs/dbraw/zinc/50/57/87/1313505787.db2.gz HHFGQBJECRYEOC-OCCSQVGLSA-N 2 1 339.277 2.847 20 10 EFCDMP Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001236664912 1313505790 /nfs/dbraw/zinc/50/57/90/1313505790.db2.gz HHFGQBJECRYEOC-OCCSQVGLSA-N 2 1 339.277 2.847 20 10 EFCDMP COc1cc(C[N@H+](C)CCC[NH+](C)C)c(O)cc1Br ZINC001236746480 1313520991 /nfs/dbraw/zinc/52/09/91/1313520991.db2.gz YAABBHMXVMMXRV-UHFFFAOYSA-N 2 1 331.254 2.547 20 10 EFCDMP COc1cc(C[N@@H+](C)CCC[NH+](C)C)c(O)cc1Br ZINC001236746480 1313520993 /nfs/dbraw/zinc/52/09/93/1313520993.db2.gz YAABBHMXVMMXRV-UHFFFAOYSA-N 2 1 331.254 2.547 20 10 EFCDMP COc1cc(C)c(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c(O)c1 ZINC001236811596 1313534705 /nfs/dbraw/zinc/53/47/05/1313534705.db2.gz SCUSOFRHHCHKRN-UHFFFAOYSA-N 2 1 348.487 2.784 20 10 EFCDMP COc1cc(C)c(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c(O)c1 ZINC001236811596 1313534708 /nfs/dbraw/zinc/53/47/08/1313534708.db2.gz SCUSOFRHHCHKRN-UHFFFAOYSA-N 2 1 348.487 2.784 20 10 EFCDMP CN1CCN(c2ccc(CN3CC[C@@](C)(F)[C@H](F)C3)c(F)c2)CC1 ZINC001236932101 1313556019 /nfs/dbraw/zinc/55/60/19/1313556019.db2.gz NSJDYSMVUWTNLX-QZTJIDSGSA-N 2 1 341.421 2.850 20 10 EFCDMP COC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236931260 1313556263 /nfs/dbraw/zinc/55/62/63/1313556263.db2.gz IFNYFYDYOXRPJJ-SFHVURJKSA-N 2 1 335.467 2.578 20 10 EFCDMP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1O ZINC000852754624 1299863855 /nfs/dbraw/zinc/86/38/55/1299863855.db2.gz YIZAYOQXBVJUQC-HNNXBMFYSA-N 2 1 334.435 2.946 20 10 EFCDMP Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c1O ZINC001238060779 1313753321 /nfs/dbraw/zinc/75/33/21/1313753321.db2.gz JBOGYUUYBJTKNK-CALCHBBNSA-N 2 1 341.430 2.799 20 10 EFCDMP CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(O)c1 ZINC000863646978 1302667480 /nfs/dbraw/zinc/66/74/80/1302667480.db2.gz UBSIKWSTQRWKDJ-GXTWGEPZSA-N 2 1 332.366 2.750 20 10 EFCDMP CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(O)c1 ZINC000863646978 1302667489 /nfs/dbraw/zinc/66/74/89/1302667489.db2.gz UBSIKWSTQRWKDJ-GXTWGEPZSA-N 2 1 332.366 2.750 20 10 EFCDMP CCOc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1O ZINC000863645890 1302667989 /nfs/dbraw/zinc/66/79/89/1302667989.db2.gz DQKGBCIBOOSDBZ-OLZOCXBDSA-N 2 1 332.366 2.750 20 10 EFCDMP CCN1CCO[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3O)C[C@@H]2C1 ZINC001231881224 1312579873 /nfs/dbraw/zinc/57/98/73/1312579873.db2.gz WVEXMGWUILLPIU-PKOBYXMFSA-N 2 1 326.440 2.698 20 10 EFCDMP CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246049797 1314574681 /nfs/dbraw/zinc/57/46/81/1314574681.db2.gz BWILNDHIEFEZTL-LEWJYISDSA-N 2 1 341.499 2.505 20 10 EFCDMP C[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001246993650 1314726186 /nfs/dbraw/zinc/72/61/86/1314726186.db2.gz IFPDEIQAJWRVOH-CYBMUJFWSA-N 2 1 331.382 2.705 20 10 EFCDMP Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)cc1 ZINC001247510088 1314795339 /nfs/dbraw/zinc/79/53/39/1314795339.db2.gz XXDWJSZJUACKME-INIZCTEOSA-N 2 1 325.416 2.883 20 10 EFCDMP COC(=O)Cc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(O)c1 ZINC001249217105 1315033916 /nfs/dbraw/zinc/03/39/16/1315033916.db2.gz MPSPLTAANPFHTI-UHFFFAOYSA-N 2 1 346.471 2.558 20 10 EFCDMP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCOCC1 ZINC001252383983 1315442766 /nfs/dbraw/zinc/44/27/66/1315442766.db2.gz QFCJAFJQFXNSAU-IBGZPJMESA-N 2 1 349.494 2.872 20 10 EFCDMP CC[N@H+](Cc1ccccc1O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252930863 1315534918 /nfs/dbraw/zinc/53/49/18/1315534918.db2.gz DYXFTXJANVRHKB-OAQYLSRUSA-N 2 1 340.467 2.851 20 10 EFCDMP CC[N@@H+](Cc1ccccc1O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252930863 1315534923 /nfs/dbraw/zinc/53/49/23/1315534923.db2.gz DYXFTXJANVRHKB-OAQYLSRUSA-N 2 1 340.467 2.851 20 10 EFCDMP CC[NH+](Cc1ccccc1O)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252930863 1315534926 /nfs/dbraw/zinc/53/49/26/1315534926.db2.gz DYXFTXJANVRHKB-OAQYLSRUSA-N 2 1 340.467 2.851 20 10 EFCDMP CC[NH+](Cc1ccccc1O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252930863 1315534929 /nfs/dbraw/zinc/53/49/29/1315534929.db2.gz DYXFTXJANVRHKB-OAQYLSRUSA-N 2 1 340.467 2.851 20 10 EFCDMP C[N@H+]1CCC[C@@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001255475039 1315828290 /nfs/dbraw/zinc/82/82/90/1315828290.db2.gz KCNFXMWTKVYSQU-JSNMRZPZSA-N 2 1 341.455 2.523 20 10 EFCDMP Oc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1O ZINC001258135909 1316123624 /nfs/dbraw/zinc/12/36/24/1316123624.db2.gz UVVHSABHKAYVKR-UHFFFAOYSA-N 2 1 326.440 2.895 20 10 EFCDMP CSCC(C)(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001262378127 1316464961 /nfs/dbraw/zinc/46/49/61/1316464961.db2.gz SEZJIVQYCIDOAI-UHFFFAOYSA-N 2 1 325.497 2.809 20 10 EFCDMP CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(C)C ZINC001318802828 1328704949 /nfs/dbraw/zinc/70/49/49/1328704949.db2.gz AGSVJBBYACIYLF-AZUAARDMSA-N 2 1 349.494 2.871 20 10 EFCDMP C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319712628 1328960094 /nfs/dbraw/zinc/96/00/94/1328960094.db2.gz PTRJIWAOMLUQKG-CABCVRRESA-N 2 1 337.508 2.903 20 10 EFCDMP C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319712628 1328960097 /nfs/dbraw/zinc/96/00/97/1328960097.db2.gz PTRJIWAOMLUQKG-CABCVRRESA-N 2 1 337.508 2.903 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCSC(C)(C)C3)cc2F)CC1 ZINC001319713224 1328961242 /nfs/dbraw/zinc/96/12/42/1328961242.db2.gz USKNXKMCZVPJOX-UHFFFAOYSA-N 2 1 337.508 2.905 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCSC(C)(C)C3)cc2F)CC1 ZINC001319713224 1328961245 /nfs/dbraw/zinc/96/12/45/1328961245.db2.gz USKNXKMCZVPJOX-UHFFFAOYSA-N 2 1 337.508 2.905 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2F)CC1 ZINC001319836684 1329008703 /nfs/dbraw/zinc/00/87/03/1329008703.db2.gz CMCXBOUVUCAOKR-KRWDZBQOSA-N 2 1 347.478 2.769 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCCS3)cc2F)CC1 ZINC001320044408 1329064809 /nfs/dbraw/zinc/06/48/09/1329064809.db2.gz ZWPGLOFFKLNYIE-MRXNPFEDSA-N 2 1 337.508 2.953 20 10 EFCDMP C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323439856 1329543506 /nfs/dbraw/zinc/54/35/06/1329543506.db2.gz BXEVSOPNOIBAKQ-KRWDZBQOSA-N 2 1 348.510 2.542 20 10 EFCDMP CCO[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001324166317 1329604795 /nfs/dbraw/zinc/60/47/95/1329604795.db2.gz CTKSCFKRPSRNSR-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP CCO[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001324166317 1329604797 /nfs/dbraw/zinc/60/47/97/1329604797.db2.gz CTKSCFKRPSRNSR-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001325301230 1329678902 /nfs/dbraw/zinc/67/89/02/1329678902.db2.gz YNTOEMGDCJBRMY-SJORKVTESA-N 2 1 349.494 2.872 20 10 EFCDMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001325745376 1329709885 /nfs/dbraw/zinc/70/98/85/1329709885.db2.gz XSIHXGLYAJGBRP-KGLIPLIRSA-N 2 1 325.884 2.825 20 10 EFCDMP CCOC1CC([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001325754110 1329710948 /nfs/dbraw/zinc/71/09/48/1329710948.db2.gz WXODIADBWRKBEA-UHFFFAOYSA-N 2 1 335.467 2.577 20 10 EFCDMP CCOC1CC([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001325754110 1329710949 /nfs/dbraw/zinc/71/09/49/1329710949.db2.gz WXODIADBWRKBEA-UHFFFAOYSA-N 2 1 335.467 2.577 20 10 EFCDMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001327839644 1330520692 /nfs/dbraw/zinc/52/06/92/1330520692.db2.gz JRXYOUBCVOCUCD-KGLIPLIRSA-N 2 1 325.884 2.683 20 10 EFCDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Br)cc2O)C1 ZINC001328759245 1330627418 /nfs/dbraw/zinc/62/74/18/1330627418.db2.gz OEGDKDORRKFFTE-LBPRGKRZSA-N 2 1 327.266 2.976 20 10 EFCDMP CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(-c3cnn(C)c3)cc2)cc1 ZINC001331418866 1330835087 /nfs/dbraw/zinc/83/50/87/1330835087.db2.gz LLGKHTAYWSZCLF-OAQYLSRUSA-N 2 1 349.482 2.943 20 10 EFCDMP C[N@@H+](CCN1CC[NH+](Cc2ccc(N)cc2)CC1)Cc1ccccc1 ZINC001336284898 1331455010 /nfs/dbraw/zinc/45/50/10/1331455010.db2.gz DNFZWYXYQPPTHO-UHFFFAOYSA-N 2 1 338.499 2.518 20 10 EFCDMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccccc1O ZINC001342179943 1332314023 /nfs/dbraw/zinc/31/40/23/1332314023.db2.gz LIYHVGIWXGMWRY-QGZVFWFLSA-N 2 1 339.483 2.990 20 10 EFCDMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccccc1O ZINC001342179941 1332314213 /nfs/dbraw/zinc/31/42/13/1332314213.db2.gz LIYHVGIWXGMWRY-KRWDZBQOSA-N 2 1 339.483 2.990 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCOCC3CCCC3)cc2F)CC1 ZINC001347940585 1332786978 /nfs/dbraw/zinc/78/69/78/1332786978.db2.gz KZFKVDCVGXWTLG-UHFFFAOYSA-N 2 1 349.494 2.874 20 10 EFCDMP C[C@@H](Cc1cccnc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001352098436 1333385117 /nfs/dbraw/zinc/38/51/17/1333385117.db2.gz HKSJOIGDYXYWFP-INIZCTEOSA-N 2 1 342.462 2.693 20 10 EFCDMP c1csc(SCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000848529331 1334776362 /nfs/dbraw/zinc/77/63/62/1334776362.db2.gz SIZKTVQEDRRODJ-OAHLLOKOSA-N 2 1 341.546 2.858 20 10 EFCDMP CCN(CC)c1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1F ZINC000848558058 1334794408 /nfs/dbraw/zinc/79/44/08/1334794408.db2.gz JLCQQLFBNSXGMR-UHFFFAOYSA-N 2 1 337.483 2.608 20 10 EFCDMP CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000848910925 1334979981 /nfs/dbraw/zinc/97/99/81/1334979981.db2.gz OIUVWONPDPJOBK-LJQANCHMSA-N 2 1 331.504 2.555 20 10 EFCDMP COc1c(O)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000849350853 1335596850 /nfs/dbraw/zinc/59/68/50/1335596850.db2.gz YUOZTXOEMFHCFS-AWEZNQCLSA-N 2 1 349.431 2.521 20 10 EFCDMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(O)c1OC ZINC000892237472 715400550 /nfs/dbraw/zinc/40/05/50/715400550.db2.gz ZQLSSKNMMMUEEF-YOEHRIQHSA-N 2 1 346.471 2.858 20 10 EFCDMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(O)c1OC ZINC000892237472 715400552 /nfs/dbraw/zinc/40/05/52/715400552.db2.gz ZQLSSKNMMMUEEF-YOEHRIQHSA-N 2 1 346.471 2.858 20 10 EFCDMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(O)c1OC ZINC000892237472 715400556 /nfs/dbraw/zinc/40/05/56/715400556.db2.gz ZQLSSKNMMMUEEF-YOEHRIQHSA-N 2 1 346.471 2.858 20 10 EFCDMP c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166213919 718604405 /nfs/dbraw/zinc/60/44/05/718604405.db2.gz IGVRKYDCUPIOFP-PKOBYXMFSA-N 2 1 331.529 2.956 20 10 EFCDMP c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166213791 718604693 /nfs/dbraw/zinc/60/46/93/718604693.db2.gz IGVRKYDCUPIOFP-IEBWSBKVSA-N 2 1 331.529 2.956 20 10 EFCDMP C[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CCC[NH+](C)C1 ZINC000092253335 719435943 /nfs/dbraw/zinc/43/59/43/719435943.db2.gz SMHNNRYUFCTKGK-LBPRGKRZSA-N 2 1 327.266 2.928 20 10 EFCDMP C[NH+](Cc1cc(Br)ccc1O)C[C@H]1CCC[N@H+](C)C1 ZINC000092253335 719435944 /nfs/dbraw/zinc/43/59/44/719435944.db2.gz SMHNNRYUFCTKGK-LBPRGKRZSA-N 2 1 327.266 2.928 20 10 EFCDMP C[NH+](Cc1cc(Br)ccc1O)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253335 719435947 /nfs/dbraw/zinc/43/59/47/719435947.db2.gz SMHNNRYUFCTKGK-LBPRGKRZSA-N 2 1 327.266 2.928 20 10 EFCDMP COc1cc(C)cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1O ZINC000894323211 722092190 /nfs/dbraw/zinc/09/21/90/722092190.db2.gz KWEJQLZOPZPRRS-UHFFFAOYSA-N 2 1 336.476 2.688 20 10 EFCDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000894377029 722651583 /nfs/dbraw/zinc/65/15/83/722651583.db2.gz XVXCWBSVTJHZFF-UHFFFAOYSA-N 2 1 327.472 2.663 20 10 EFCDMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c(O)c1OC ZINC000895508079 724163744 /nfs/dbraw/zinc/16/37/44/724163744.db2.gz DXDVRVLZLVFTIK-GDBMZVCRSA-N 2 1 336.476 2.962 20 10 EFCDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158257073 728326456 /nfs/dbraw/zinc/32/64/56/728326456.db2.gz JCZMEXBCGTYKEH-JKSUJKDBSA-N 2 1 335.467 2.655 20 10 EFCDMP C[NH+]1CCN(c2ccc(CNc3cc(Cl)cc(N)[nH+]3)cc2)CC1 ZINC001167426219 1101584534 /nfs/dbraw/zinc/58/45/34/1101584534.db2.gz CDAGVXBTJRIUNB-UHFFFAOYSA-N 2 1 331.851 2.681 20 10 EFCDMP c1cc(N2CCOCC2)ccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897985677 1106186668 /nfs/dbraw/zinc/18/66/68/1106186668.db2.gz QLGVCRBJEMFXMU-UHFFFAOYSA-N 2 1 329.488 2.630 20 10 EFCDMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000898450567 1108943814 /nfs/dbraw/zinc/94/38/14/1108943814.db2.gz RYWNBHHMYGVWML-UXPWSPDFSA-N 2 1 332.536 2.675 20 10 EFCDMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@H](C)C1 ZINC000898450567 1108943822 /nfs/dbraw/zinc/94/38/22/1108943822.db2.gz RYWNBHHMYGVWML-UXPWSPDFSA-N 2 1 332.536 2.675 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@H](C)C1 ZINC000898450567 1108943828 /nfs/dbraw/zinc/94/38/28/1108943828.db2.gz RYWNBHHMYGVWML-UXPWSPDFSA-N 2 1 332.536 2.675 20 10 EFCDMP CCC[N@H+](Cc1c(O)cccc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236836941 1118160866 /nfs/dbraw/zinc/16/08/66/1118160866.db2.gz ZKVPTGRIHIAITR-GFCCVEGCSA-N 2 1 327.266 2.976 20 10 EFCDMP CCC[N@@H+](Cc1c(O)cccc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236836941 1118160863 /nfs/dbraw/zinc/16/08/63/1118160863.db2.gz ZKVPTGRIHIAITR-GFCCVEGCSA-N 2 1 327.266 2.976 20 10 EFCDMP Oc1cccc(Cl)c1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000295522312 241055804 /nfs/dbraw/zinc/05/58/04/241055804.db2.gz VVZVTUAUBBJODZ-MRXNPFEDSA-N 2 1 346.858 2.902 20 10 EFCDMP C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000160430199 473123066 /nfs/dbraw/zinc/12/30/66/473123066.db2.gz XQZMFCORPVRGLO-UHFFFAOYSA-N 2 1 331.504 2.831 20 10 EFCDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2c(cc1O)CCCC2 ZINC000282311514 474019436 /nfs/dbraw/zinc/01/94/36/474019436.db2.gz NBEZJRDADZJUGC-MRXNPFEDSA-N 2 1 345.531 2.948 20 10 EFCDMP CCCOc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(O)c1 ZINC000289870959 474463379 /nfs/dbraw/zinc/46/33/79/474463379.db2.gz RJCJOALKWPCLFC-UHFFFAOYSA-N 2 1 349.519 2.639 20 10 EFCDMP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000278152440 474601903 /nfs/dbraw/zinc/60/19/03/474601903.db2.gz AGQBSLMZPRPLQE-SNVBAGLBSA-N 2 1 333.259 2.806 20 10 EFCDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780996 475042567 /nfs/dbraw/zinc/04/25/67/475042567.db2.gz PTLAEUCFCQHRSE-QSFXBCCZSA-N 2 1 347.478 2.940 20 10 EFCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780996 475042573 /nfs/dbraw/zinc/04/25/73/475042573.db2.gz PTLAEUCFCQHRSE-QSFXBCCZSA-N 2 1 347.478 2.940 20 10 EFCDMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268806601 475044748 /nfs/dbraw/zinc/04/47/48/475044748.db2.gz CUAYIVOEFVLJHI-SJLPKXTDSA-N 2 1 349.494 2.923 20 10 EFCDMP C[N@@H+](Cc1cc(Cl)ccc1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377630267 476487936 /nfs/dbraw/zinc/48/79/36/476487936.db2.gz QHRPGJDWADWKJF-KRWDZBQOSA-N 2 1 337.895 2.646 20 10 EFCDMP CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000371469981 477338297 /nfs/dbraw/zinc/33/82/97/477338297.db2.gz HSVQXDUXNMXPKW-ZYSHUDEJSA-N 2 1 335.467 2.575 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000371469981 477338305 /nfs/dbraw/zinc/33/83/05/477338305.db2.gz HSVQXDUXNMXPKW-ZYSHUDEJSA-N 2 1 335.467 2.575 20 10 EFCDMP Cc1cc(O)c(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000367722783 477656820 /nfs/dbraw/zinc/65/68/20/477656820.db2.gz RLJJYBDRYLCPLW-LJQANCHMSA-N 2 1 331.504 2.609 20 10 EFCDMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(cc1O)CCCC2 ZINC000368324742 477797953 /nfs/dbraw/zinc/79/79/53/477797953.db2.gz UDSGKOIAHRKDNX-QGTPRVQTSA-N 2 1 330.472 2.785 20 10 EFCDMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2c(cc1O)CCCC2 ZINC000368324742 477797957 /nfs/dbraw/zinc/79/79/57/477797957.db2.gz UDSGKOIAHRKDNX-QGTPRVQTSA-N 2 1 330.472 2.785 20 10 EFCDMP CCN(CC)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000362375332 535684487 /nfs/dbraw/zinc/68/44/87/535684487.db2.gz CYEGMCLMZNZQTQ-OAQYLSRUSA-N 2 1 344.547 2.745 20 10 EFCDMP CCN(CC)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000362375332 535684492 /nfs/dbraw/zinc/68/44/92/535684492.db2.gz CYEGMCLMZNZQTQ-OAQYLSRUSA-N 2 1 344.547 2.745 20 10 EFCDMP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1O ZINC000367616618 535936367 /nfs/dbraw/zinc/93/63/67/535936367.db2.gz LQSUHNKRYSRYSJ-QAPCUYQASA-N 2 1 335.467 2.741 20 10 EFCDMP c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754784652 575489721 /nfs/dbraw/zinc/48/97/21/575489721.db2.gz IGVRKYDCUPIOFP-HKUYNNGSSA-N 2 1 331.529 2.956 20 10 EFCDMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2c1c(F)ccc2O ZINC000756565121 575763261 /nfs/dbraw/zinc/76/32/61/575763261.db2.gz VONBHCCLYSBNJI-IJEWVQPXSA-N 2 1 336.451 2.906 20 10 EFCDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166777 577115613 /nfs/dbraw/zinc/11/56/13/577115613.db2.gz SOOHTKKBLFUROU-HLLBOEOZSA-N 2 1 335.467 2.796 20 10 EFCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166777 577115615 /nfs/dbraw/zinc/11/56/15/577115615.db2.gz SOOHTKKBLFUROU-HLLBOEOZSA-N 2 1 335.467 2.796 20 10 EFCDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166779 577115789 /nfs/dbraw/zinc/11/57/89/577115789.db2.gz SOOHTKKBLFUROU-VYDXJSESSA-N 2 1 335.467 2.796 20 10 EFCDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166779 577115793 /nfs/dbraw/zinc/11/57/93/577115793.db2.gz SOOHTKKBLFUROU-VYDXJSESSA-N 2 1 335.467 2.796 20 10 EFCDMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccccc2O)c2cccs2)CC1 ZINC000725841375 577243583 /nfs/dbraw/zinc/24/35/83/577243583.db2.gz CWKMUHFOYJHSCH-MRXNPFEDSA-N 2 1 331.485 2.532 20 10 EFCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2c(cc1O)CCCC2 ZINC000768461435 577275704 /nfs/dbraw/zinc/27/57/04/577275704.db2.gz CWNRPXBBYYEAGG-SFHLNBCPSA-N 2 1 344.499 2.955 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000768467116 577276480 /nfs/dbraw/zinc/27/64/80/577276480.db2.gz ZDWPPJXBGKKVEV-OAHLLOKOSA-N 2 1 334.460 2.573 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000768467116 577276481 /nfs/dbraw/zinc/27/64/81/577276481.db2.gz ZDWPPJXBGKKVEV-OAHLLOKOSA-N 2 1 334.460 2.573 20 10 EFCDMP COc1cc(O)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1OC ZINC000768467116 577276482 /nfs/dbraw/zinc/27/64/82/577276482.db2.gz ZDWPPJXBGKKVEV-OAHLLOKOSA-N 2 1 334.460 2.573 20 10 EFCDMP COc1cc(O)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1OC ZINC000768467116 577276483 /nfs/dbraw/zinc/27/64/83/577276483.db2.gz ZDWPPJXBGKKVEV-OAHLLOKOSA-N 2 1 334.460 2.573 20 10 EFCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769513495 577368897 /nfs/dbraw/zinc/36/88/97/577368897.db2.gz AUIUDKKUKOCIJC-QGZVFWFLSA-N 2 1 337.483 2.824 20 10 EFCDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(Br)c3O)C[C@H]21 ZINC000843060255 1258496597 /nfs/dbraw/zinc/49/65/97/1258496597.db2.gz ZHSLADVTRXEELT-ZKYQVNSYSA-N 2 1 325.250 2.714 20 10 EFCDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(Br)c3O)C[C@H]21 ZINC000843060255 1258496602 /nfs/dbraw/zinc/49/66/02/1258496602.db2.gz ZHSLADVTRXEELT-ZKYQVNSYSA-N 2 1 325.250 2.714 20 10 EFCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1O ZINC000186520108 1265017390 /nfs/dbraw/zinc/01/73/90/1265017390.db2.gz STSZUSQLBFDANU-KDOFPFPSSA-N 2 1 344.430 2.949 20 10 EFCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1O ZINC000186520108 1265017403 /nfs/dbraw/zinc/01/74/03/1265017403.db2.gz STSZUSQLBFDANU-KDOFPFPSSA-N 2 1 344.430 2.949 20 10 EFCDMP Cc1ccc(O)c(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000733322186 1265168417 /nfs/dbraw/zinc/16/84/17/1265168417.db2.gz OPNOEAYBWBASNR-QGZVFWFLSA-N 2 1 345.512 2.840 20 10 EFCDMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000702553184 1271479576 /nfs/dbraw/zinc/47/95/76/1271479576.db2.gz IWCGFMZWIFALLO-DYESRHJHSA-N 2 1 340.467 2.988 20 10 EFCDMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000702553184 1271479580 /nfs/dbraw/zinc/47/95/80/1271479580.db2.gz IWCGFMZWIFALLO-DYESRHJHSA-N 2 1 340.467 2.988 20 10 EFCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000702553186 1271479602 /nfs/dbraw/zinc/47/96/02/1271479602.db2.gz IWCGFMZWIFALLO-UTKZUKDTSA-N 2 1 340.467 2.988 20 10 EFCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000702553186 1271479609 /nfs/dbraw/zinc/47/96/09/1271479609.db2.gz IWCGFMZWIFALLO-UTKZUKDTSA-N 2 1 340.467 2.988 20 10 EFCDMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000817888797 1276347934 /nfs/dbraw/zinc/34/79/34/1276347934.db2.gz OSCXYXLKCMMQGO-MOPGFXCFSA-N 2 1 341.430 2.897 20 10 EFCDMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817888606 1276348152 /nfs/dbraw/zinc/34/81/52/1276348152.db2.gz MZJCULLJRUEHOJ-JKSUJKDBSA-N 2 1 343.393 2.511 20 10 EFCDMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817899334 1276366020 /nfs/dbraw/zinc/36/60/20/1276366020.db2.gz LGTFGNCGIQXQDH-CPUCHLNUSA-N 2 1 339.430 2.987 20 10 EFCDMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000817899332 1276366658 /nfs/dbraw/zinc/36/66/58/1276366658.db2.gz LGTFGNCGIQXQDH-CKEIUWERSA-N 2 1 339.430 2.987 20 10 EFCDMP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817968402 1276411214 /nfs/dbraw/zinc/41/12/14/1276411214.db2.gz RQMFLFRILLUAGI-VIFPVBQESA-N 2 1 329.213 2.864 20 10 EFCDMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817937324 1276384220 /nfs/dbraw/zinc/38/42/20/1276384220.db2.gz YCSSUADAYNLYCS-IAGOWNOFSA-N 2 1 339.430 2.551 20 10 EFCDMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817946337 1276390950 /nfs/dbraw/zinc/39/09/50/1276390950.db2.gz WSXZGYCIOFWUBM-CABCVRRESA-N 2 1 337.895 2.827 20 10 EFCDMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817968509 1276411848 /nfs/dbraw/zinc/41/18/48/1276411848.db2.gz KREULMFJAHLOJC-HUUCEWRRSA-N 2 1 337.895 2.969 20 10 EFCDMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817968507 1276411962 /nfs/dbraw/zinc/41/19/62/1276411962.db2.gz KREULMFJAHLOJC-CABCVRRESA-N 2 1 337.895 2.969 20 10 EFCDMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817971871 1276413467 /nfs/dbraw/zinc/41/34/67/1276413467.db2.gz QLFHFFYONNIRMW-ILXRZTDVSA-N 2 1 337.895 2.968 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)[C@H](C)C1 ZINC000818344139 1276511892 /nfs/dbraw/zinc/51/18/92/1276511892.db2.gz JUARENPNVBUMOD-HLIPFELVSA-N 2 1 331.504 2.841 20 10 EFCDMP C[C@H]1CC2(C[N@H+]1Cc1ccc(N3CCOCC3)c(F)c1)CC[NH2+]CC2 ZINC000818431313 1276522207 /nfs/dbraw/zinc/52/22/07/1276522207.db2.gz IXPRMZYGFWKFFS-INIZCTEOSA-N 2 1 347.478 2.626 20 10 EFCDMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790977310 1277909362 /nfs/dbraw/zinc/90/93/62/1277909362.db2.gz WZAANYQDSMWYMC-UHFFFAOYSA-N 2 1 330.831 2.510 20 10 EFCDMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(O)c1 ZINC000844902540 1279323317 /nfs/dbraw/zinc/32/33/17/1279323317.db2.gz OWKBGZLTGCPXIB-BXWFABGCSA-N 2 1 334.460 2.509 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000793609691 1279773022 /nfs/dbraw/zinc/77/30/22/1279773022.db2.gz REFUQLMYSPVKKI-WOJBJXKFSA-N 2 1 329.488 2.582 20 10 EFCDMP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1O ZINC000846145511 1280051705 /nfs/dbraw/zinc/05/17/05/1280051705.db2.gz OELFYEURQFJCCZ-ZBFHGGJFSA-N 2 1 334.460 2.695 20 10 EFCDMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000846823871 1280518977 /nfs/dbraw/zinc/51/89/77/1280518977.db2.gz BDAINUYGODCPBC-GOSISDBHSA-N 2 1 329.444 2.740 20 10 EFCDMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000846823871 1280518987 /nfs/dbraw/zinc/51/89/87/1280518987.db2.gz BDAINUYGODCPBC-GOSISDBHSA-N 2 1 329.444 2.740 20 10 EFCDMP CN(CC[N@@H+](C)Cc1cc(Cl)ccc1O)C1CC[NH+](C)CC1 ZINC000809734503 1282412039 /nfs/dbraw/zinc/41/20/39/1282412039.db2.gz INMWYHONFRQIQO-UHFFFAOYSA-N 2 1 325.884 2.503 20 10 EFCDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(N(C)C)cc1 ZINC000809737401 1282437544 /nfs/dbraw/zinc/43/75/44/1282437544.db2.gz HGCMNVLVVPWIRS-HXUWFJFHSA-N 2 1 332.536 2.601 20 10 EFCDMP CCCC[N@H+](C)C[C@@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000810163595 1282998809 /nfs/dbraw/zinc/99/88/09/1282998809.db2.gz ZSVZHJIDBNHWNZ-GOSISDBHSA-N 2 1 332.536 2.648 20 10 EFCDMP CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000810163595 1282998826 /nfs/dbraw/zinc/99/88/26/1282998826.db2.gz ZSVZHJIDBNHWNZ-GOSISDBHSA-N 2 1 332.536 2.648 20 10 EFCDMP C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000813787523 1286116642 /nfs/dbraw/zinc/11/66/42/1286116642.db2.gz ZMNXZURRXVMJCN-OAHLLOKOSA-N 2 1 334.464 2.872 20 10 EFCDMP C[N@H+]1CCC[C@]2(CCN(Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000816641670 1288227025 /nfs/dbraw/zinc/22/70/25/1288227025.db2.gz BMXOUGGJSLMIOL-FQEVSTJZSA-N 2 1 347.478 2.580 20 10 EFCDMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000816641670 1288227032 /nfs/dbraw/zinc/22/70/32/1288227032.db2.gz BMXOUGGJSLMIOL-FQEVSTJZSA-N 2 1 347.478 2.580 20 10 EFCDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000816641670 1288227038 /nfs/dbraw/zinc/22/70/38/1288227038.db2.gz BMXOUGGJSLMIOL-FQEVSTJZSA-N 2 1 347.478 2.580 20 10 EFCDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000816641670 1288227043 /nfs/dbraw/zinc/22/70/43/1288227043.db2.gz BMXOUGGJSLMIOL-FQEVSTJZSA-N 2 1 347.478 2.580 20 10 EFCDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000816641670 1288227049 /nfs/dbraw/zinc/22/70/49/1288227049.db2.gz BMXOUGGJSLMIOL-FQEVSTJZSA-N 2 1 347.478 2.580 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@]4(CCCO4)[C@@H]3C3CC3)cc2)CC1 ZINC000816666291 1288235988 /nfs/dbraw/zinc/23/59/88/1288235988.db2.gz JLXQTSPBEXLLCR-LEWJYISDSA-N 2 1 341.499 2.582 20 10 EFCDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135861644 1288518666 /nfs/dbraw/zinc/51/86/66/1288518666.db2.gz UZLZGRIAUHHHKW-IRXDYDNUSA-N 2 1 349.519 2.718 20 10 EFCDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135861645 1288518938 /nfs/dbraw/zinc/51/89/38/1288518938.db2.gz UZLZGRIAUHHHKW-SJORKVTESA-N 2 1 349.519 2.718 20 10 EFCDMP COC(=O)c1c(C[N@@H+](C)CC2CC[NH+](C)CC2)c2ccccc2n1C ZINC001232408156 1312695462 /nfs/dbraw/zinc/69/54/62/1312695462.db2.gz XENBSCMJZVDRHB-UHFFFAOYSA-N 2 1 343.471 2.739 20 10 EFCDMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000873009015 1289516118 /nfs/dbraw/zinc/51/61/18/1289516118.db2.gz FNIAMYMDHOHPMV-UHFFFAOYSA-N 2 1 342.487 2.904 20 10 EFCDMP CCCOc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1C ZINC000873044639 1289538576 /nfs/dbraw/zinc/53/85/76/1289538576.db2.gz TXLXALGWQJNBSY-UHFFFAOYSA-N 2 1 333.520 2.901 20 10 EFCDMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cn1cccn1 ZINC000873131625 1289587457 /nfs/dbraw/zinc/58/74/57/1289587457.db2.gz RLWFLDFMGJXEBC-YQQQUEKLSA-N 2 1 340.471 2.655 20 10 EFCDMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@@H](C)C1 ZINC000247072806 1289866653 /nfs/dbraw/zinc/86/66/53/1289866653.db2.gz QHIJVYLSJVDIJA-OXJNMPFZSA-N 2 1 331.504 2.984 20 10 EFCDMP Cc1cc(O)c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000825697580 1290045717 /nfs/dbraw/zinc/04/57/17/1290045717.db2.gz HITAPIJQTHPNPZ-AWEZNQCLSA-N 2 1 326.868 2.945 20 10 EFCDMP Cc1cc(O)c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000825697580 1290045725 /nfs/dbraw/zinc/04/57/25/1290045725.db2.gz HITAPIJQTHPNPZ-AWEZNQCLSA-N 2 1 326.868 2.945 20 10 EFCDMP CC[NH+]1CCC([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000125238124 1290427924 /nfs/dbraw/zinc/42/79/24/1290427924.db2.gz KXULLFXORLGECR-UHFFFAOYSA-N 2 1 335.467 2.578 20 10 EFCDMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000125238124 1290427929 /nfs/dbraw/zinc/42/79/29/1290427929.db2.gz KXULLFXORLGECR-UHFFFAOYSA-N 2 1 335.467 2.578 20 10 EFCDMP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841561 1312793348 /nfs/dbraw/zinc/79/33/48/1312793348.db2.gz JWIULZWFMDRTML-KRWDZBQOSA-N 2 1 327.428 2.815 20 10 EFCDMP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841561 1312793352 /nfs/dbraw/zinc/79/33/52/1312793352.db2.gz JWIULZWFMDRTML-KRWDZBQOSA-N 2 1 327.428 2.815 20 10 EFCDMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(O)c1 ZINC000877190401 1291160541 /nfs/dbraw/zinc/16/05/41/1291160541.db2.gz DNMZLQFVYHRSIV-FQEVSTJZSA-N 2 1 340.467 2.947 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000877517769 1291255365 /nfs/dbraw/zinc/25/53/65/1291255365.db2.gz PGWICMSIZRSGBR-YOFSQIOKSA-N 2 1 343.515 2.705 20 10 EFCDMP C[NH+](Cc1ccc(N2CCC(O)CC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000877517769 1291255379 /nfs/dbraw/zinc/25/53/79/1291255379.db2.gz PGWICMSIZRSGBR-YOFSQIOKSA-N 2 1 343.515 2.705 20 10 EFCDMP C[NH+](Cc1ccc(N2CCC(O)CC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000877517769 1291255388 /nfs/dbraw/zinc/25/53/88/1291255388.db2.gz PGWICMSIZRSGBR-YOFSQIOKSA-N 2 1 343.515 2.705 20 10 EFCDMP CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775174995 1291407347 /nfs/dbraw/zinc/40/73/47/1291407347.db2.gz DWDQMINPSFVPIX-FQEVSTJZSA-N 2 1 331.504 2.565 20 10 EFCDMP C[N@H+](Cc1ccc(Br)cc1O)CC1CC[NH+](C)CC1 ZINC000691680215 1291677593 /nfs/dbraw/zinc/67/75/93/1291677593.db2.gz UIYVFUCYLJIHSW-UHFFFAOYSA-N 2 1 327.266 2.928 20 10 EFCDMP C[N@@H+](Cc1cc(O)c(O)cc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233486379 1312940225 /nfs/dbraw/zinc/94/02/25/1312940225.db2.gz LAKGLXVGMYITQS-INIZCTEOSA-N 2 1 342.439 2.757 20 10 EFCDMP C[N@H+](Cc1cc(O)c(O)cc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233486379 1312940227 /nfs/dbraw/zinc/94/02/27/1312940227.db2.gz LAKGLXVGMYITQS-INIZCTEOSA-N 2 1 342.439 2.757 20 10 EFCDMP C[NH+](Cc1cc(O)c(O)cc1O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233486379 1312940230 /nfs/dbraw/zinc/94/02/30/1312940230.db2.gz LAKGLXVGMYITQS-INIZCTEOSA-N 2 1 342.439 2.757 20 10 EFCDMP C[NH+](Cc1cc(O)c(O)cc1O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233486379 1312940233 /nfs/dbraw/zinc/94/02/33/1312940233.db2.gz LAKGLXVGMYITQS-INIZCTEOSA-N 2 1 342.439 2.757 20 10 EFCDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccccc3O)C2)C1 ZINC001203551834 1312954308 /nfs/dbraw/zinc/95/43/08/1312954308.db2.gz PUYASRLWKRZNTC-UYAOXDASSA-N 2 1 330.472 2.573 20 10 EFCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccccc3O)C2)C1 ZINC001203551834 1312954312 /nfs/dbraw/zinc/95/43/12/1312954312.db2.gz PUYASRLWKRZNTC-UYAOXDASSA-N 2 1 330.472 2.573 20 10 EFCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccccc3O)C2)C1 ZINC001203551834 1312954315 /nfs/dbraw/zinc/95/43/15/1312954315.db2.gz PUYASRLWKRZNTC-UYAOXDASSA-N 2 1 330.472 2.573 20 10 EFCDMP CC[NH+](CC)CCCN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203663709 1312984104 /nfs/dbraw/zinc/98/41/04/1312984104.db2.gz DVOBCMPONUSGCV-UHFFFAOYSA-N 2 1 339.911 2.895 20 10 EFCDMP Oc1c(C[NH+]2CCC(N3CCC3)CC2)cccc1OC(F)(F)F ZINC001233775848 1312989931 /nfs/dbraw/zinc/98/99/31/1312989931.db2.gz FAQXNIGBUPPHOV-UHFFFAOYSA-N 2 1 330.350 2.961 20 10 EFCDMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882898930 1293376315 /nfs/dbraw/zinc/37/63/15/1293376315.db2.gz ZOHVWJJOPOFDIS-UHFFFAOYSA-N 2 1 336.382 2.901 20 10 EFCDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1 ZINC001203930660 1313050029 /nfs/dbraw/zinc/05/00/29/1313050029.db2.gz CBCOZKWQVHVWGH-BGYRXZFFSA-N 2 1 336.483 2.711 20 10 EFCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775726694 1294295156 /nfs/dbraw/zinc/29/51/56/1294295156.db2.gz WUDQAYAGPSGFTJ-HNNXBMFYSA-N 2 1 326.868 2.978 20 10 EFCDMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCC1(F)F ZINC001205788691 1294377307 /nfs/dbraw/zinc/37/73/07/1294377307.db2.gz PTTVFBUVIRPODD-SNVBAGLBSA-N 2 1 340.292 2.707 20 10 EFCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CCC1(F)F ZINC001205788691 1294377312 /nfs/dbraw/zinc/37/73/12/1294377312.db2.gz PTTVFBUVIRPODD-SNVBAGLBSA-N 2 1 340.292 2.707 20 10 EFCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(C(C)(C)C)ccc1O ZINC001276446638 1313097629 /nfs/dbraw/zinc/09/76/29/1313097629.db2.gz YAOGYNACNDWXBZ-OALUTQOASA-N 2 1 345.531 2.900 20 10 EFCDMP CC[NH+]1CCN(c2ccc(O[C@@H]3[C@@H]4CCC[C@H]3C[N@H+](C)C4)cc2)CC1 ZINC001234660987 1313179751 /nfs/dbraw/zinc/17/97/51/1313179751.db2.gz NXXYMOHBZJELCS-RMFSNUHRSA-N 2 1 343.515 2.938 20 10 EFCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001234971716 1313214685 /nfs/dbraw/zinc/21/46/85/1313214685.db2.gz SOSVCNKLOGZIGI-UYAOXDASSA-N 2 1 325.456 2.514 20 10 EFCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001234971716 1313214688 /nfs/dbraw/zinc/21/46/88/1313214688.db2.gz SOSVCNKLOGZIGI-UYAOXDASSA-N 2 1 325.456 2.514 20 10 EFCDMP C[C@H]1C[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C[C@H]1C[NH3+] ZINC001205150443 1313241127 /nfs/dbraw/zinc/24/11/27/1313241127.db2.gz BYRNQCUYONIAMD-MAUKXSAKSA-N 2 1 326.440 2.998 20 10 EFCDMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205164748 1313244197 /nfs/dbraw/zinc/24/41/97/1313244197.db2.gz RUYPICZKAJJDMY-MRXNPFEDSA-N 2 1 337.467 2.921 20 10 EFCDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cccc(C(C)(C)C)c3O)[C@@H]2C1 ZINC001275802807 1296412979 /nfs/dbraw/zinc/41/29/79/1296412979.db2.gz PAIGLAXMQRDOHK-QFBILLFUSA-N 2 1 345.531 2.757 20 10 EFCDMP COc1ccc(Br)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1O ZINC001205280766 1313263718 /nfs/dbraw/zinc/26/37/18/1313263718.db2.gz IHQXSZJDFWHQLA-OAHLLOKOSA-N 2 1 343.265 2.867 20 10 EFCDMP COc1ccc(Br)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1O ZINC001205280766 1313263721 /nfs/dbraw/zinc/26/37/21/1313263721.db2.gz IHQXSZJDFWHQLA-OAHLLOKOSA-N 2 1 343.265 2.867 20 10 EFCDMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1O ZINC001276080266 1296593888 /nfs/dbraw/zinc/59/38/88/1296593888.db2.gz MZHZESYLNHLMDF-FQEVSTJZSA-N 2 1 331.504 2.550 20 10 EFCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC001205545827 1313310198 /nfs/dbraw/zinc/31/01/98/1313310198.db2.gz NQOKRWYEEBFSGP-CQSZACIVSA-N 2 1 331.229 2.808 20 10 EFCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001205558996 1313313002 /nfs/dbraw/zinc/31/30/02/1313313002.db2.gz MTEPDAOQPDKIHL-FQEVSTJZSA-N 2 1 347.478 2.744 20 10 EFCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001205591306 1313319176 /nfs/dbraw/zinc/31/91/76/1313319176.db2.gz KEZPSUOTTHROIU-AWEZNQCLSA-N 2 1 336.329 2.944 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+](C)CC2CC[NH2+]CC2)c2ccccc2n1C ZINC001235432575 1313320109 /nfs/dbraw/zinc/32/01/09/1313320109.db2.gz LJZVLVRMFIHAND-UHFFFAOYSA-N 2 1 343.471 2.786 20 10 EFCDMP C[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)CC[C@H]1C[NH3+] ZINC001205626715 1313325772 /nfs/dbraw/zinc/32/57/72/1313325772.db2.gz IJOGNDCUEKQBAN-RYUDHWBXSA-N 2 1 327.266 2.962 20 10 EFCDMP Nc1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc1 ZINC001235649789 1313366781 /nfs/dbraw/zinc/36/67/81/1313366781.db2.gz UAAHMMBDPMBJOY-UHFFFAOYSA-N 2 1 339.487 2.903 20 10 EFCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H](Cc3ccccc3)C1)C[NH2+]CCO2 ZINC001235715899 1313382710 /nfs/dbraw/zinc/38/27/10/1313382710.db2.gz XIVPLOFNCCNBCP-QGZVFWFLSA-N 2 1 338.451 2.939 20 10 EFCDMP COc1ccc2c(c1)c1c(n2C)CC[N@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001235839210 1313406669 /nfs/dbraw/zinc/40/66/69/1313406669.db2.gz NFNNBHCDTMLTSG-UHFFFAOYSA-N 2 1 327.472 2.935 20 10 EFCDMP Cc1ccc(CC[N@H+](C)Cc2cc3c(cc2O)OCC[NH2+]C3)cc1 ZINC001235840674 1313407467 /nfs/dbraw/zinc/40/74/67/1313407467.db2.gz SOQGRJBMSXPCQJ-UHFFFAOYSA-N 2 1 326.440 2.857 20 10 EFCDMP COc1ccccc1CC[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235843541 1313408226 /nfs/dbraw/zinc/40/82/26/1313408226.db2.gz YOYBAJWNELWAIY-UHFFFAOYSA-N 2 1 339.483 2.779 20 10 EFCDMP Fc1ccc2c(c1)C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001235905932 1313416391 /nfs/dbraw/zinc/41/63/91/1313416391.db2.gz KHBCBYCUFMBQBP-UHFFFAOYSA-N 2 1 325.431 2.794 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c2ccccc2n1C ZINC001235958665 1313423187 /nfs/dbraw/zinc/42/31/87/1313423187.db2.gz APCDUVAOXFWLJN-ZSBFGKGUSA-N 2 1 341.455 2.524 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c2ccccc2n1C ZINC001235958665 1313423188 /nfs/dbraw/zinc/42/31/88/1313423188.db2.gz APCDUVAOXFWLJN-ZSBFGKGUSA-N 2 1 341.455 2.524 20 10 EFCDMP COc1cc(C)c(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(O)c1 ZINC001236011102 1313431419 /nfs/dbraw/zinc/43/14/19/1313431419.db2.gz RHZINJUOSRFLPK-UTKZUKDTSA-N 2 1 338.451 2.682 20 10 EFCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001206311645 1313434472 /nfs/dbraw/zinc/43/44/72/1313434472.db2.gz RWGCDYSNVRXVMH-FQEVSTJZSA-N 2 1 331.504 2.599 20 10 EFCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)cc1 ZINC001236073425 1313437536 /nfs/dbraw/zinc/43/75/36/1313437536.db2.gz MZBDLBMHMHYKQM-NRFANRHFSA-N 2 1 338.499 2.701 20 10 EFCDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001236081458 1313439714 /nfs/dbraw/zinc/43/97/14/1313439714.db2.gz NEDZERCYOSZXNF-UHFFFAOYSA-N 2 1 343.446 2.535 20 10 EFCDMP CCC[N@H+](Cc1c2ccccc2n(C)c1C(=O)OC)C1CC[NH2+]CC1 ZINC001236184763 1313453280 /nfs/dbraw/zinc/45/32/80/1313453280.db2.gz OADJBENQYMMKSX-UHFFFAOYSA-N 2 1 343.471 2.929 20 10 EFCDMP CCC[N@@H+](Cc1c2ccccc2n(C)c1C(=O)OC)C1CC[NH2+]CC1 ZINC001236184763 1313453283 /nfs/dbraw/zinc/45/32/83/1313453283.db2.gz OADJBENQYMMKSX-UHFFFAOYSA-N 2 1 343.471 2.929 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])cc2)CC1 ZINC001236214338 1313456869 /nfs/dbraw/zinc/45/68/69/1313456869.db2.gz DHDRWSIWOQOAHW-VQTJNVASSA-N 3 1 330.520 2.530 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])cc2)CC1 ZINC001236214338 1313456873 /nfs/dbraw/zinc/45/68/73/1313456873.db2.gz DHDRWSIWOQOAHW-VQTJNVASSA-N 3 1 330.520 2.530 20 10 EFCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(OC)c1 ZINC001236315821 1313467721 /nfs/dbraw/zinc/46/77/21/1313467721.db2.gz OFQWSRHAZLTHKT-CALCHBBNSA-N 2 1 331.504 2.973 20 10 EFCDMP c1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001236321192 1313469093 /nfs/dbraw/zinc/46/90/93/1313469093.db2.gz YALRNSKAGZWUNX-BGYRXZFFSA-N 2 1 325.500 2.817 20 10 EFCDMP Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1O ZINC001236321295 1313469114 /nfs/dbraw/zinc/46/91/14/1313469114.db2.gz HTKIWILUQLLBRX-BETUJISGSA-N 2 1 339.277 2.895 20 10 EFCDMP CC[N@H+](Cc1cc(Br)c(C)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001236410608 1313476769 /nfs/dbraw/zinc/47/67/69/1313476769.db2.gz HXSQDVRSDQFIBJ-GFCCVEGCSA-N 2 1 327.266 2.895 20 10 EFCDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C2CCC2)CC1 ZINC001236571817 1313493433 /nfs/dbraw/zinc/49/34/33/1313493433.db2.gz DTNGAWYTQIFSEH-XGAFWQRZSA-N 3 1 342.531 2.721 20 10 EFCDMP Cc1cc(Br)c(O)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1 ZINC001236670172 1313506691 /nfs/dbraw/zinc/50/66/91/1313506691.db2.gz VOJZNLBQNOJBMN-UHFFFAOYSA-N 2 1 339.277 2.991 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)cc1OC ZINC001236753133 1313522295 /nfs/dbraw/zinc/52/22/95/1313522295.db2.gz HDYZFHPGBWQTIU-OAHLLOKOSA-N 2 1 344.411 2.766 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001236753133 1313522297 /nfs/dbraw/zinc/52/22/97/1313522297.db2.gz HDYZFHPGBWQTIU-OAHLLOKOSA-N 2 1 344.411 2.766 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001236753133 1313522298 /nfs/dbraw/zinc/52/22/98/1313522298.db2.gz HDYZFHPGBWQTIU-OAHLLOKOSA-N 2 1 344.411 2.766 20 10 EFCDMP CCC[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C[C@@H]1CC[NH2+]C1 ZINC001236835678 1313538368 /nfs/dbraw/zinc/53/83/68/1313538368.db2.gz OQHIKFKBSMMLHG-MRXNPFEDSA-N 2 1 343.515 2.913 20 10 EFCDMP CN1CCN(c2ccc(CN3CC[C@](C)(F)[C@H](F)C3)c(F)c2)CC1 ZINC001236932097 1313555970 /nfs/dbraw/zinc/55/59/70/1313555970.db2.gz NSJDYSMVUWTNLX-MSOLQXFVSA-N 2 1 341.421 2.850 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4CCCO[C@H]4C3)c(F)c2)CC1 ZINC001236935217 1313557476 /nfs/dbraw/zinc/55/74/76/1313557476.db2.gz GMOAOLGFVSNSRE-UZLBHIALSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(C3)CCCCO4)c(F)c2)CC1 ZINC001236936918 1313557561 /nfs/dbraw/zinc/55/75/61/1313557561.db2.gz UQVFESBNDMWWOU-FQEVSTJZSA-N 2 1 347.478 2.723 20 10 EFCDMP CN1CCN(c2cc(C[N@@H+](C)Cc3ccccc3O)ccc2F)CC1 ZINC001236974445 1313563520 /nfs/dbraw/zinc/56/35/20/1313563520.db2.gz RLKLLWDNYHNNSR-UHFFFAOYSA-N 2 1 343.446 2.915 20 10 EFCDMP C[N@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)Cc1ccccc1O ZINC001236974445 1313563524 /nfs/dbraw/zinc/56/35/24/1313563524.db2.gz RLKLLWDNYHNNSR-UHFFFAOYSA-N 2 1 343.446 2.915 20 10 EFCDMP C[N@@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)Cc1ccccc1O ZINC001236974445 1313563526 /nfs/dbraw/zinc/56/35/26/1313563526.db2.gz RLKLLWDNYHNNSR-UHFFFAOYSA-N 2 1 343.446 2.915 20 10 EFCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]2C1 ZINC001237062035 1313579675 /nfs/dbraw/zinc/57/96/75/1313579675.db2.gz JAVPKSKPWYENKX-OKILXGFUSA-N 2 1 344.377 2.717 20 10 EFCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]2C1 ZINC001237062035 1313579676 /nfs/dbraw/zinc/57/96/76/1313579676.db2.gz JAVPKSKPWYENKX-OKILXGFUSA-N 2 1 344.377 2.717 20 10 EFCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]2C1 ZINC001237062035 1313579680 /nfs/dbraw/zinc/57/96/80/1313579680.db2.gz JAVPKSKPWYENKX-OKILXGFUSA-N 2 1 344.377 2.717 20 10 EFCDMP FC(F)(F)Oc1ccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001237205488 1313606082 /nfs/dbraw/zinc/60/60/82/1313606082.db2.gz MOOKCKIAMRIRMT-AWEZNQCLSA-N 2 1 343.393 2.707 20 10 EFCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@H]1Cc2ccccc2O1 ZINC001237266741 1313614934 /nfs/dbraw/zinc/61/49/34/1313614934.db2.gz ZJGKGLSPJXWLCK-HXUWFJFHSA-N 2 1 337.467 2.532 20 10 EFCDMP Oc1c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cccc1OC(F)(F)F ZINC001237415859 1313641638 /nfs/dbraw/zinc/64/16/38/1313641638.db2.gz OQRYHHSKABTVNP-WCQYABFASA-N 2 1 330.350 2.865 20 10 EFCDMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)cccc3O)CC2)C1 ZINC001237494429 1313655900 /nfs/dbraw/zinc/65/59/00/1313655900.db2.gz IRFOFSMNEPPSBI-INIZCTEOSA-N 2 1 346.471 2.550 20 10 EFCDMP COc1ccc2c(c1)c1c(n2C)CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC001207398813 1313675759 /nfs/dbraw/zinc/67/57/59/1313675759.db2.gz OEMRDGMQCDTOEH-UHFFFAOYSA-N 2 1 327.472 2.887 20 10 EFCDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3cccc(F)c3O)C2)C1 ZINC001276537695 1313704520 /nfs/dbraw/zinc/70/45/20/1313704520.db2.gz KXZULHPELAAJKJ-HXUWFJFHSA-N 2 1 349.494 2.771 20 10 EFCDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3O)C2)C1 ZINC001276537695 1313704522 /nfs/dbraw/zinc/70/45/22/1313704522.db2.gz KXZULHPELAAJKJ-HXUWFJFHSA-N 2 1 349.494 2.771 20 10 EFCDMP Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1Cl ZINC001276372161 1314245564 /nfs/dbraw/zinc/24/55/64/1314245564.db2.gz HUPPBVVXNWVHEI-IRXDYDNUSA-N 2 1 337.895 2.564 20 10 EFCDMP COc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c(O)cc1O ZINC001231637026 1312536900 /nfs/dbraw/zinc/53/69/00/1312536900.db2.gz DARJWTTWOOCFDE-HOTGVXAUSA-N 2 1 334.460 2.945 20 10 EFCDMP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c(O)cc1O ZINC001231637026 1312536903 /nfs/dbraw/zinc/53/69/03/1312536903.db2.gz DARJWTTWOOCFDE-HOTGVXAUSA-N 2 1 334.460 2.945 20 10 EFCDMP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c(O)cc1O ZINC001231637026 1312536905 /nfs/dbraw/zinc/53/69/05/1312536905.db2.gz DARJWTTWOOCFDE-HOTGVXAUSA-N 2 1 334.460 2.945 20 10 EFCDMP c1cc(N2CC[NH2+]CC2)ccc1CN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246173005 1314593271 /nfs/dbraw/zinc/59/32/71/1314593271.db2.gz JFWXJIMFRQQPBP-LJQANCHMSA-N 2 1 342.531 2.641 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1OC ZINC001276788966 1315211305 /nfs/dbraw/zinc/21/13/05/1315211305.db2.gz FFLDLVRFJNUVKU-IBGZPJMESA-N 2 1 334.460 2.717 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1OC ZINC001276788966 1315211308 /nfs/dbraw/zinc/21/13/08/1315211308.db2.gz FFLDLVRFJNUVKU-IBGZPJMESA-N 2 1 334.460 2.717 20 10 EFCDMP COc1cc(O)c(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1OC ZINC001276788966 1315211310 /nfs/dbraw/zinc/21/13/10/1315211310.db2.gz FFLDLVRFJNUVKU-IBGZPJMESA-N 2 1 334.460 2.717 20 10 EFCDMP COc1cc(O)c(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1OC ZINC001276788966 1315211314 /nfs/dbraw/zinc/21/13/14/1315211314.db2.gz FFLDLVRFJNUVKU-IBGZPJMESA-N 2 1 334.460 2.717 20 10 EFCDMP C[N@H+]1CCC[C@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001255475041 1315828534 /nfs/dbraw/zinc/82/85/34/1315828534.db2.gz KCNFXMWTKVYSQU-VHKYSDTDSA-N 2 1 341.455 2.523 20 10 EFCDMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001257042157 1316024392 /nfs/dbraw/zinc/02/43/92/1316024392.db2.gz ZDTRQGJMKKWSQZ-QAPCUYQASA-N 2 1 346.471 2.678 20 10 EFCDMP Oc1ccccc1C[NH+]1CCC([NH2+]C2CCC3(COC3)CC2)CC1 ZINC001257901603 1316102043 /nfs/dbraw/zinc/10/20/43/1316102043.db2.gz KEUQSWWXNBNAQA-UHFFFAOYSA-N 2 1 330.472 2.905 20 10 EFCDMP CSC[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319717106 1328962790 /nfs/dbraw/zinc/96/27/90/1328962790.db2.gz LAMCANOFMGXJGO-MRXNPFEDSA-N 2 1 337.508 2.905 20 10 EFCDMP CSC[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319717106 1328962792 /nfs/dbraw/zinc/96/27/92/1328962792.db2.gz LAMCANOFMGXJGO-MRXNPFEDSA-N 2 1 337.508 2.905 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCCCO1 ZINC001319948363 1329041865 /nfs/dbraw/zinc/04/18/65/1329041865.db2.gz SWGFXZRLDVGGPK-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCCCO1 ZINC001319948363 1329041869 /nfs/dbraw/zinc/04/18/69/1329041869.db2.gz SWGFXZRLDVGGPK-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(C)CCO[C@@H]3C3CC3)cc2F)CC1 ZINC001320172385 1329100106 /nfs/dbraw/zinc/10/01/06/1329100106.db2.gz BVBOEOXMZUHCFZ-UXHICEINSA-N 2 1 347.478 2.625 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@]3(C)CCO[C@@H]3C3CC3)cc2F)CC1 ZINC001320172388 1329100173 /nfs/dbraw/zinc/10/01/73/1329100173.db2.gz BVBOEOXMZUHCFZ-WOJBJXKFSA-N 2 1 347.478 2.625 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@]3(C)CCO[C@H]3C3CC3)cc2F)CC1 ZINC001320172386 1329099988 /nfs/dbraw/zinc/09/99/88/1329099988.db2.gz BVBOEOXMZUHCFZ-VQTJNVASSA-N 2 1 347.478 2.625 20 10 EFCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC001320245945 1329105987 /nfs/dbraw/zinc/10/59/87/1329105987.db2.gz KNUHNWLWMPXBMX-IAGOWNOFSA-N 2 1 331.504 2.866 20 10 EFCDMP CC[C@H](C)[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)OC ZINC001326446327 1329757568 /nfs/dbraw/zinc/75/75/68/1329757568.db2.gz LILOGTMLUQSUHY-KXBFYZLASA-N 2 1 337.483 2.728 20 10 EFCDMP C[N@H+](CCOC(C)(C)C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337042628 1331530604 /nfs/dbraw/zinc/53/06/04/1331530604.db2.gz OWSQILGQQYPXHL-UHFFFAOYSA-N 2 1 337.483 2.824 20 10 EFCDMP C[N@@H+](CCOC(C)(C)C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337042628 1331530606 /nfs/dbraw/zinc/53/06/06/1331530606.db2.gz OWSQILGQQYPXHL-UHFFFAOYSA-N 2 1 337.483 2.824 20 10 EFCDMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001338734682 1331731287 /nfs/dbraw/zinc/73/12/87/1331731287.db2.gz FDCFWCYZCZDPGM-JXXFODFXSA-N 2 1 349.494 2.559 20 10 EFCDMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001338734682 1331731288 /nfs/dbraw/zinc/73/12/88/1331731288.db2.gz FDCFWCYZCZDPGM-JXXFODFXSA-N 2 1 349.494 2.559 20 10 EFCDMP CCSC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001350143528 1333040302 /nfs/dbraw/zinc/04/03/02/1333040302.db2.gz OGBOREHQQWXTJF-UHFFFAOYSA-N 2 1 337.508 2.953 20 10 EFCDMP Oc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300403721 713398065 /nfs/dbraw/zinc/39/80/65/713398065.db2.gz ACIPFSYDNDRHIB-KBPBESRZSA-N 2 1 325.250 2.871 20 10 EFCDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894070552 720266146 /nfs/dbraw/zinc/26/61/46/720266146.db2.gz CPUCHKUSUFOMON-OAHLLOKOSA-N 2 1 328.403 2.603 20 10 EFCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894070552 720266152 /nfs/dbraw/zinc/26/61/52/720266152.db2.gz CPUCHKUSUFOMON-OAHLLOKOSA-N 2 1 328.403 2.603 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc1OC ZINC000895379306 724089992 /nfs/dbraw/zinc/08/99/92/724089992.db2.gz UBUWTLPRFOCYBR-GOEBONIOSA-N 2 1 336.476 2.962 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc1OC ZINC000895379304 724090101 /nfs/dbraw/zinc/09/01/01/724090101.db2.gz UBUWTLPRFOCYBR-GDBMZVCRSA-N 2 1 336.476 2.962 20 10 EFCDMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000841099545 727973546 /nfs/dbraw/zinc/97/35/46/727973546.db2.gz LLTQIJHQWHTFHN-WMLDXEAASA-N 2 1 342.842 2.903 20 10 EFCDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000227441923 728333174 /nfs/dbraw/zinc/33/31/74/728333174.db2.gz INDXNPUOACMHCY-GFCCVEGCSA-N 2 1 327.266 2.975 20 10 EFCDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)C1 ZINC001580201194 1090808091 /nfs/dbraw/zinc/80/80/91/1090808091.db2.gz XIMBYKUUDMBNEJ-XTQGRXLLSA-N 2 1 342.842 2.903 20 10 EFCDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)C1 ZINC001580201194 1090808098 /nfs/dbraw/zinc/80/80/98/1090808098.db2.gz XIMBYKUUDMBNEJ-XTQGRXLLSA-N 2 1 342.842 2.903 20 10 EFCDMP OC1CCN(c2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc2)CC1 ZINC001580880824 1091033189 /nfs/dbraw/zinc/03/31/89/1091033189.db2.gz YOCDSMKHOZWNRC-UHFFFAOYSA-N 2 1 343.515 2.613 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC001206810778 1101679412 /nfs/dbraw/zinc/67/94/12/1101679412.db2.gz PLPYOZVFYMDNDH-QWRGUYRKSA-N 2 1 343.265 2.723 20 10 EFCDMP COc1cc(O)c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC001206810778 1101679418 /nfs/dbraw/zinc/67/94/18/1101679418.db2.gz PLPYOZVFYMDNDH-QWRGUYRKSA-N 2 1 343.265 2.723 20 10 EFCDMP OC1CCN(c2ccc(C[NH+]3CCC([NH2+]C4CCC4)CC3)cc2)CC1 ZINC000897980916 1106183875 /nfs/dbraw/zinc/18/38/75/1106183875.db2.gz GEGGMOUXUQGNOQ-UHFFFAOYSA-N 2 1 343.515 2.754 20 10 EFCDMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000898450561 1108943934 /nfs/dbraw/zinc/94/39/34/1108943934.db2.gz RYWNBHHMYGVWML-FFZOFVMBSA-N 2 1 332.536 2.675 20 10 EFCDMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H](C)C1 ZINC000898450561 1108943939 /nfs/dbraw/zinc/94/39/39/1108943939.db2.gz RYWNBHHMYGVWML-FFZOFVMBSA-N 2 1 332.536 2.675 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H](C)C1 ZINC000898450561 1108943944 /nfs/dbraw/zinc/94/39/44/1108943944.db2.gz RYWNBHHMYGVWML-FFZOFVMBSA-N 2 1 332.536 2.675 20 10 EFCDMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2c(cc1O)CCCC2 ZINC000185116284 473333298 /nfs/dbraw/zinc/33/32/98/473333298.db2.gz NXLDKQILWABFAN-HNNXBMFYSA-N 2 1 332.488 2.768 20 10 EFCDMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119663628 472574396 /nfs/dbraw/zinc/57/43/96/472574396.db2.gz CRDNTJMRBNVPAP-OAHLLOKOSA-N 2 1 347.478 2.940 20 10 EFCDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271873202 474596547 /nfs/dbraw/zinc/59/65/47/474596547.db2.gz NGHFCJDDTWBZPV-HNNXBMFYSA-N 2 1 333.451 2.575 20 10 EFCDMP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278534994 474687800 /nfs/dbraw/zinc/68/78/00/474687800.db2.gz VYVRPTGRAVPBIO-ZDUSSCGKSA-N 2 1 339.436 2.909 20 10 EFCDMP Cc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(O)c1C ZINC000273605171 474986667 /nfs/dbraw/zinc/98/66/67/474986667.db2.gz TWXJXSSJZUUCMT-KRWDZBQOSA-N 2 1 333.520 2.933 20 10 EFCDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268833396 475047030 /nfs/dbraw/zinc/04/70/30/475047030.db2.gz FZZCLIBURKZVGH-OAHLLOKOSA-N 2 1 346.450 2.908 20 10 EFCDMP C[N@H+]1CC[C@@]2(CCN(Cc3cc(Br)ccc3O)C2)C1 ZINC000292777175 475193607 /nfs/dbraw/zinc/19/36/07/475193607.db2.gz LALDBUKAAOTCFA-OAHLLOKOSA-N 2 1 325.250 2.682 20 10 EFCDMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(cc1O)CCCC2 ZINC000368324740 477798525 /nfs/dbraw/zinc/79/85/25/477798525.db2.gz UDSGKOIAHRKDNX-BMGDILEWSA-N 2 1 330.472 2.785 20 10 EFCDMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2c(cc1O)CCCC2 ZINC000368324740 477798528 /nfs/dbraw/zinc/79/85/28/477798528.db2.gz UDSGKOIAHRKDNX-BMGDILEWSA-N 2 1 330.472 2.785 20 10 EFCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H]3[C@H](CCC[NH+]3C3CC3)C1)OCO2 ZINC000157931804 534448656 /nfs/dbraw/zinc/44/86/56/534448656.db2.gz WVFJGNIEIAKBED-CJNGLKHVSA-N 2 1 330.428 2.570 20 10 EFCDMP Oc1cc2c(cc1C[NH+]1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)OCO2 ZINC000157931804 534448664 /nfs/dbraw/zinc/44/86/64/534448664.db2.gz WVFJGNIEIAKBED-CJNGLKHVSA-N 2 1 330.428 2.570 20 10 EFCDMP Oc1cc2c(cc1C[NH+]1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)OCO2 ZINC000157931804 534448669 /nfs/dbraw/zinc/44/86/69/534448669.db2.gz WVFJGNIEIAKBED-CJNGLKHVSA-N 2 1 330.428 2.570 20 10 EFCDMP OCC1CCN(c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000298394937 527528100 /nfs/dbraw/zinc/52/81/00/527528100.db2.gz LOWYUPDKVLBJKQ-UHFFFAOYSA-N 2 1 343.515 2.612 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000756435128 575738898 /nfs/dbraw/zinc/73/88/98/575738898.db2.gz WJQIHTPIRYQYBF-GJZGRUSLSA-N 2 1 334.460 2.951 20 10 EFCDMP COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000756572653 575764403 /nfs/dbraw/zinc/76/44/03/575764403.db2.gz HHUNFOKVOBCANN-WMLDXEAASA-N 2 1 334.460 2.695 20 10 EFCDMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000763606750 576382622 /nfs/dbraw/zinc/38/26/22/576382622.db2.gz PCPUJRQKZVESHX-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000763606750 576382623 /nfs/dbraw/zinc/38/26/23/576382623.db2.gz PCPUJRQKZVESHX-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP COc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765039197 576539644 /nfs/dbraw/zinc/53/96/44/576539644.db2.gz RGVIBFFSFLIBKC-MJGOQNOKSA-N 2 1 329.488 2.880 20 10 EFCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000769513610 577368977 /nfs/dbraw/zinc/36/89/77/577368977.db2.gz CXLSCKAOWFVVKW-CQSZACIVSA-N 2 1 326.868 2.978 20 10 EFCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769515364 577369138 /nfs/dbraw/zinc/36/91/38/577369138.db2.gz OZHLGEZFXROIMD-MRXNPFEDSA-N 2 1 326.868 2.978 20 10 EFCDMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1N(C)C ZINC000923393766 1261599906 /nfs/dbraw/zinc/59/99/06/1261599906.db2.gz XNAJVZWSNOJISK-RLLQIKCJSA-N 2 1 331.504 2.922 20 10 EFCDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825167485 1278432493 /nfs/dbraw/zinc/43/24/93/1278432493.db2.gz MXERMKAWCLWIAG-LBPRGKRZSA-N 2 1 327.266 2.976 20 10 EFCDMP Oc1cccc2c1[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000702544356 1271476611 /nfs/dbraw/zinc/47/66/11/1271476611.db2.gz KEVXHIRRIRWRCY-RXVVDRJESA-N 2 1 338.451 2.606 20 10 EFCDMP Oc1cccc2c1[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000702544356 1271476625 /nfs/dbraw/zinc/47/66/25/1271476625.db2.gz KEVXHIRRIRWRCY-RXVVDRJESA-N 2 1 338.451 2.606 20 10 EFCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000702554798 1271479792 /nfs/dbraw/zinc/47/97/92/1271479792.db2.gz XOEUWAPKJRTLFE-UWJYYQICSA-N 2 1 340.467 2.988 20 10 EFCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000702554798 1271479801 /nfs/dbraw/zinc/47/98/01/1271479801.db2.gz XOEUWAPKJRTLFE-UWJYYQICSA-N 2 1 340.467 2.988 20 10 EFCDMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000702553187 1271479821 /nfs/dbraw/zinc/47/98/21/1271479821.db2.gz IWCGFMZWIFALLO-UWJYYQICSA-N 2 1 340.467 2.988 20 10 EFCDMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000702553187 1271479829 /nfs/dbraw/zinc/47/98/29/1271479829.db2.gz IWCGFMZWIFALLO-UWJYYQICSA-N 2 1 340.467 2.988 20 10 EFCDMP C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CCC[C@@H]1C[NH3+] ZINC001206003148 1272721282 /nfs/dbraw/zinc/72/12/82/1272721282.db2.gz FKQOXZIDBIKFCC-VXGBXAGGSA-N 2 1 327.266 2.962 20 10 EFCDMP Oc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000691447765 1274087602 /nfs/dbraw/zinc/08/76/02/1274087602.db2.gz VSRLAACTPQQDBX-KGLIPLIRSA-N 2 1 325.250 2.871 20 10 EFCDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000706059864 1274357163 /nfs/dbraw/zinc/35/71/63/1274357163.db2.gz PISHTJPETATOMV-GFCCVEGCSA-N 2 1 327.266 2.976 20 10 EFCDMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817981375 1276420836 /nfs/dbraw/zinc/42/08/36/1276420836.db2.gz RSWYAOYUTKABON-WBVHZDCISA-N 2 1 335.467 2.845 20 10 EFCDMP COc1ccc(N2CC[C@H](C[NH2+]Cc3c[nH+]ccc3N(C)C)C2)cc1 ZINC000818221405 1276493076 /nfs/dbraw/zinc/49/30/76/1276493076.db2.gz LZIJXHFIMVNOME-MRXNPFEDSA-N 2 1 340.471 2.772 20 10 EFCDMP COc1ccc(N2CC[C@@H](C[NH2+]Cc3c[nH+]ccc3N(C)C)C2)cc1 ZINC000818221404 1276493738 /nfs/dbraw/zinc/49/37/38/1276493738.db2.gz LZIJXHFIMVNOME-INIZCTEOSA-N 2 1 340.471 2.772 20 10 EFCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815055781 1287270573 /nfs/dbraw/zinc/27/05/73/1287270573.db2.gz NLJAJUPITCGFLI-LJQANCHMSA-N 2 1 333.520 2.994 20 10 EFCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815055780 1287270866 /nfs/dbraw/zinc/27/08/66/1287270866.db2.gz NLJAJUPITCGFLI-IBGZPJMESA-N 2 1 333.520 2.994 20 10 EFCDMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1N(C)C ZINC000815074257 1287301038 /nfs/dbraw/zinc/30/10/38/1287301038.db2.gz NMHVIFJRPRLKMO-DFQSSKMNSA-N 2 1 331.504 2.745 20 10 EFCDMP C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000790934310 1277853330 /nfs/dbraw/zinc/85/33/30/1277853330.db2.gz KHKARUHHZGHOSL-FXAWDEMLSA-N 2 1 331.504 2.564 20 10 EFCDMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000790934314 1277853429 /nfs/dbraw/zinc/85/34/29/1277853429.db2.gz KHKARUHHZGHOSL-XLIONFOSSA-N 2 1 331.504 2.564 20 10 EFCDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)C1 ZINC000844902511 1279323373 /nfs/dbraw/zinc/32/33/73/1279323373.db2.gz OIPDXHLPNHBUAF-HSMVNMDESA-N 2 1 342.842 2.903 20 10 EFCDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)C1 ZINC000844902511 1279323383 /nfs/dbraw/zinc/32/33/83/1279323383.db2.gz OIPDXHLPNHBUAF-HSMVNMDESA-N 2 1 342.842 2.903 20 10 EFCDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)C1 ZINC000844902514 1279323867 /nfs/dbraw/zinc/32/38/67/1279323867.db2.gz OIPDXHLPNHBUAF-XHBSWPGZSA-N 2 1 342.842 2.903 20 10 EFCDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)C1 ZINC000844902514 1279323873 /nfs/dbraw/zinc/32/38/73/1279323873.db2.gz OIPDXHLPNHBUAF-XHBSWPGZSA-N 2 1 342.842 2.903 20 10 EFCDMP CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000846016502 1279979710 /nfs/dbraw/zinc/97/97/10/1279979710.db2.gz UWTTVBZXIIXIHY-FQEVSTJZSA-N 2 1 331.504 2.828 20 10 EFCDMP CCC[N@@H+](CCN1CCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809701220 1282390103 /nfs/dbraw/zinc/39/01/03/1282390103.db2.gz VZHFKELLXRBODH-UHFFFAOYSA-N 2 1 344.547 2.746 20 10 EFCDMP CCCN(CC[NH+]1CCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809701220 1282390107 /nfs/dbraw/zinc/39/01/07/1282390107.db2.gz VZHFKELLXRBODH-UHFFFAOYSA-N 2 1 344.547 2.746 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccccn3)C3CC3)cc2)CC1 ZINC000809764157 1282465268 /nfs/dbraw/zinc/46/52/68/1282465268.db2.gz TYXHZHFAKXWTBE-UHFFFAOYSA-N 2 1 336.483 2.998 20 10 EFCDMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815577159 1287609239 /nfs/dbraw/zinc/60/92/39/1287609239.db2.gz IBBBPWTYYMGWTK-PKOBYXMFSA-N 2 1 328.456 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)cc2)CC1 ZINC000811510674 1284390383 /nfs/dbraw/zinc/39/03/83/1284390383.db2.gz MSICSDFXBBWEJZ-WOJBJXKFSA-N 2 1 343.515 2.828 20 10 EFCDMP CC[N@H+]1CC[C@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001173356521 1286545145 /nfs/dbraw/zinc/54/51/45/1286545145.db2.gz DTRUOAOPADMJIR-VHKYSDTDSA-N 2 1 341.455 2.523 20 10 EFCDMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)cc1Br ZINC001206209984 1286738428 /nfs/dbraw/zinc/73/84/28/1286738428.db2.gz JEGXLWWLNNIJKV-STQMWFEESA-N 2 1 331.229 2.724 20 10 EFCDMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)cc1Br ZINC001206209984 1286738434 /nfs/dbraw/zinc/73/84/34/1286738434.db2.gz JEGXLWWLNNIJKV-STQMWFEESA-N 2 1 331.229 2.724 20 10 EFCDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135861642 1288519161 /nfs/dbraw/zinc/51/91/61/1288519161.db2.gz UZLZGRIAUHHHKW-DLBZAZTESA-N 2 1 349.519 2.718 20 10 EFCDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135979025 1288703241 /nfs/dbraw/zinc/70/32/41/1288703241.db2.gz AXIQTWWPPFBFAL-IRXDYDNUSA-N 2 1 349.519 2.718 20 10 EFCDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873020647 1289524398 /nfs/dbraw/zinc/52/43/98/1289524398.db2.gz YZPOEKXLIARZDK-GOSISDBHSA-N 2 1 342.487 2.762 20 10 EFCDMP Cc1cccc(O)c1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000876874442 1291055407 /nfs/dbraw/zinc/05/54/07/1291055407.db2.gz FOVIAVUAEALUKX-HXUWFJFHSA-N 2 1 339.483 2.779 20 10 EFCDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000093769917 1291214739 /nfs/dbraw/zinc/21/47/39/1291214739.db2.gz CKGGJKJTUYXNLF-LBPRGKRZSA-N 2 1 327.266 2.928 20 10 EFCDMP Cc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(O)c1 ZINC000877442010 1291235136 /nfs/dbraw/zinc/23/51/36/1291235136.db2.gz RVNFKUBJTQGJMA-NRFANRHFSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(O)c1 ZINC000877442010 1291235141 /nfs/dbraw/zinc/23/51/41/1291235141.db2.gz RVNFKUBJTQGJMA-NRFANRHFSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000877442010 1291235148 /nfs/dbraw/zinc/23/51/48/1291235148.db2.gz RVNFKUBJTQGJMA-NRFANRHFSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000877442010 1291235152 /nfs/dbraw/zinc/23/51/52/1291235152.db2.gz RVNFKUBJTQGJMA-NRFANRHFSA-N 2 1 340.467 2.769 20 10 EFCDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(C(C)(C)C)ccc1O ZINC001233285935 1312895323 /nfs/dbraw/zinc/89/53/23/1312895323.db2.gz YAOGYNACNDWXBZ-RBUKOAKNSA-N 2 1 345.531 2.900 20 10 EFCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233736738 1312982106 /nfs/dbraw/zinc/98/21/06/1312982106.db2.gz QHYDXPNKNVZBLS-YPMHNXCESA-N 2 1 330.350 2.674 20 10 EFCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233736738 1312982109 /nfs/dbraw/zinc/98/21/09/1312982109.db2.gz QHYDXPNKNVZBLS-YPMHNXCESA-N 2 1 330.350 2.674 20 10 EFCDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775657775 1293934076 /nfs/dbraw/zinc/93/40/76/1293934076.db2.gz HVTVDNQXFPCKCD-UHFFFAOYSA-N 3 1 344.547 2.745 20 10 EFCDMP CC[N@@H+](CCc1ccccn1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775660100 1293942855 /nfs/dbraw/zinc/94/28/55/1293942855.db2.gz ARMXKNOAWGXRAX-UHFFFAOYSA-N 2 1 338.499 2.898 20 10 EFCDMP Cc1ncsc1C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775676353 1294075948 /nfs/dbraw/zinc/07/59/48/1294075948.db2.gz RHMIMYWHLTUBCH-UHFFFAOYSA-N 2 1 330.501 2.835 20 10 EFCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775724111 1294272338 /nfs/dbraw/zinc/27/23/38/1294272338.db2.gz GXMXSFBTOFXWIA-FQEVSTJZSA-N 3 1 344.547 2.602 20 10 EFCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775724111 1294272341 /nfs/dbraw/zinc/27/23/41/1294272341.db2.gz GXMXSFBTOFXWIA-FQEVSTJZSA-N 3 1 344.547 2.602 20 10 EFCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775724111 1294272349 /nfs/dbraw/zinc/27/23/49/1294272349.db2.gz GXMXSFBTOFXWIA-FQEVSTJZSA-N 3 1 344.547 2.602 20 10 EFCDMP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775724111 1294272357 /nfs/dbraw/zinc/27/23/57/1294272357.db2.gz GXMXSFBTOFXWIA-FQEVSTJZSA-N 2 1 344.547 2.602 20 10 EFCDMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775724111 1294272364 /nfs/dbraw/zinc/27/23/64/1294272364.db2.gz GXMXSFBTOFXWIA-FQEVSTJZSA-N 2 1 344.547 2.602 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C4CCOCC4)C3)cc2)CC1 ZINC000775725012 1294285375 /nfs/dbraw/zinc/28/53/75/1294285375.db2.gz FGQVHLACJORFIY-FQEVSTJZSA-N 2 1 343.515 2.687 20 10 EFCDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775724888 1294286852 /nfs/dbraw/zinc/28/68/52/1294286852.db2.gz OJCBFBXTJOWXPN-FQEVSTJZSA-N 3 1 344.547 2.602 20 10 EFCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775724888 1294286856 /nfs/dbraw/zinc/28/68/56/1294286856.db2.gz OJCBFBXTJOWXPN-FQEVSTJZSA-N 3 1 344.547 2.602 20 10 EFCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775726695 1294294991 /nfs/dbraw/zinc/29/49/91/1294294991.db2.gz WUDQAYAGPSGFTJ-OAHLLOKOSA-N 2 1 326.868 2.978 20 10 EFCDMP [O-]c1cccc(F)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276353987 1294569824 /nfs/dbraw/zinc/56/98/24/1294569824.db2.gz BTNQDYMJTCQCBP-IYBDPMFKSA-N 2 1 344.434 2.598 20 10 EFCDMP Oc1cccc(F)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276353987 1294569836 /nfs/dbraw/zinc/56/98/36/1294569836.db2.gz BTNQDYMJTCQCBP-IYBDPMFKSA-N 2 1 344.434 2.598 20 10 EFCDMP Oc1cccc(F)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276353987 1294569842 /nfs/dbraw/zinc/56/98/42/1294569842.db2.gz BTNQDYMJTCQCBP-IYBDPMFKSA-N 2 1 344.434 2.598 20 10 EFCDMP Oc1cccc(F)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276353987 1294569852 /nfs/dbraw/zinc/56/98/52/1294569852.db2.gz BTNQDYMJTCQCBP-IYBDPMFKSA-N 2 1 344.434 2.598 20 10 EFCDMP Oc1cccc(F)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276353987 1294569855 /nfs/dbraw/zinc/56/98/55/1294569855.db2.gz BTNQDYMJTCQCBP-IYBDPMFKSA-N 2 1 344.434 2.598 20 10 EFCDMP Oc1cccc(F)c1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276354557 1294572286 /nfs/dbraw/zinc/57/22/86/1294572286.db2.gz XIHCVVKNRMNYMT-UHFFFAOYSA-N 2 1 344.434 2.743 20 10 EFCDMP Oc1cccc(F)c1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276354557 1294572295 /nfs/dbraw/zinc/57/22/95/1294572295.db2.gz XIHCVVKNRMNYMT-UHFFFAOYSA-N 2 1 344.434 2.743 20 10 EFCDMP Cc1ccc(O)c(C[NH+]2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)c1 ZINC001275313124 1296255147 /nfs/dbraw/zinc/25/51/47/1296255147.db2.gz AXSJGMIHXIMPAL-UHFFFAOYSA-N 2 1 345.531 2.940 20 10 EFCDMP Cc1ccc(O)c(C[NH+]2CCC3(CCCN(CC[NH+](C)C)C3)CC2)c1 ZINC001275313124 1296255158 /nfs/dbraw/zinc/25/51/58/1296255158.db2.gz AXSJGMIHXIMPAL-UHFFFAOYSA-N 2 1 345.531 2.940 20 10 EFCDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001275315099 1296256092 /nfs/dbraw/zinc/25/60/92/1296256092.db2.gz PNDRCBPFVSMVAK-FQEVSTJZSA-N 2 1 331.504 2.550 20 10 EFCDMP Oc1ccc(F)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275908663 1296445868 /nfs/dbraw/zinc/44/58/68/1296445868.db2.gz GLRXZAKXLQWAKM-IYBDPMFKSA-N 2 1 344.434 2.598 20 10 EFCDMP Oc1ccc(F)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275908663 1296445876 /nfs/dbraw/zinc/44/58/76/1296445876.db2.gz GLRXZAKXLQWAKM-IYBDPMFKSA-N 2 1 344.434 2.598 20 10 EFCDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000925574262 1296857782 /nfs/dbraw/zinc/85/77/82/1296857782.db2.gz CVRJQXXISLEWDQ-SUMWQHHRSA-N 2 1 339.430 2.987 20 10 EFCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001205558998 1313312865 /nfs/dbraw/zinc/31/28/65/1313312865.db2.gz MTEPDAOQPDKIHL-HXUWFJFHSA-N 2 1 347.478 2.744 20 10 EFCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235408517 1313314558 /nfs/dbraw/zinc/31/45/58/1313314558.db2.gz UJVVMIJHNYBBCW-CABCVRRESA-N 2 1 332.341 2.935 20 10 EFCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001205578614 1313316312 /nfs/dbraw/zinc/31/63/12/1313316312.db2.gz GYUNYPJGERWOAG-AWEZNQCLSA-N 2 1 347.228 2.513 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c2ccccc2n1C ZINC001205581539 1313316782 /nfs/dbraw/zinc/31/67/82/1313316782.db2.gz VHTPNMNQTKNZKL-IBGZPJMESA-N 2 1 347.434 2.618 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c2ccccc2n1C ZINC001205637895 1313328590 /nfs/dbraw/zinc/32/85/90/1313328590.db2.gz JTHOAGUCOJYASN-LSDHHAIUSA-N 2 1 343.471 2.772 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c2ccccc2n1C ZINC001205912938 1313374920 /nfs/dbraw/zinc/37/49/20/1313374920.db2.gz FFEBWLRJVIPAKN-LSDHHAIUSA-N 2 1 343.471 2.914 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c2ccccc2n1C ZINC001205912938 1313374924 /nfs/dbraw/zinc/37/49/24/1313374924.db2.gz FFEBWLRJVIPAKN-LSDHHAIUSA-N 2 1 343.471 2.914 20 10 EFCDMP C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCC[C@@H]1C[NH3+] ZINC001205984259 1313385986 /nfs/dbraw/zinc/38/59/86/1313385986.db2.gz RRKWVXWXAVAGJN-NWDGAFQWSA-N 2 1 327.266 2.962 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c2ccccc2n1C ZINC001206012257 1313390649 /nfs/dbraw/zinc/39/06/49/1313390649.db2.gz JIKFFQJTGRBZML-CABCVRRESA-N 2 1 343.471 2.772 20 10 EFCDMP CCN(CC)c1ccc(C[N@H+](CCCOC)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001235805034 1313399816 /nfs/dbraw/zinc/39/98/16/1313399816.db2.gz GLGBXAPOXBTLHX-LJQANCHMSA-N 2 1 349.519 2.829 20 10 EFCDMP CCN(CC)c1ccc(C[N@@H+](CCCOC)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001235805034 1313399819 /nfs/dbraw/zinc/39/98/19/1313399819.db2.gz GLGBXAPOXBTLHX-LJQANCHMSA-N 2 1 349.519 2.829 20 10 EFCDMP COc1cccc(CC[N@@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001235839863 1313407383 /nfs/dbraw/zinc/40/73/83/1313407383.db2.gz BAHPVWQNGYYPHC-UHFFFAOYSA-N 2 1 339.483 2.779 20 10 EFCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206197395 1313419437 /nfs/dbraw/zinc/41/94/37/1313419437.db2.gz IFOVUMCCGCGJBP-STQMWFEESA-N 2 1 331.229 2.724 20 10 EFCDMP Cc1cc(Br)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206197395 1313419439 /nfs/dbraw/zinc/41/94/39/1313419439.db2.gz IFOVUMCCGCGJBP-STQMWFEESA-N 2 1 331.229 2.724 20 10 EFCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC001235993819 1313428617 /nfs/dbraw/zinc/42/86/17/1313428617.db2.gz RGYGMLAWYWMTLE-UHFFFAOYSA-N 2 1 337.467 2.966 20 10 EFCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC001236045566 1313433254 /nfs/dbraw/zinc/43/32/54/1313433254.db2.gz WFFNNERCZWHGSB-UHFFFAOYSA-N 2 1 329.488 2.631 20 10 EFCDMP Fc1cccc2c1CC[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236049111 1313434535 /nfs/dbraw/zinc/43/45/35/1313434535.db2.gz YMHILLQTTMCEMG-UHFFFAOYSA-N 2 1 325.431 2.794 20 10 EFCDMP CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001236189353 1313453755 /nfs/dbraw/zinc/45/37/55/1313453755.db2.gz LPOMYPLJVGMYEQ-UHFFFAOYSA-N 2 1 338.499 2.794 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])cc2)CC1 ZINC001236214335 1313456626 /nfs/dbraw/zinc/45/66/26/1313456626.db2.gz DHDRWSIWOQOAHW-PMACEKPBSA-N 3 1 330.520 2.530 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])cc2)CC1 ZINC001236214335 1313456628 /nfs/dbraw/zinc/45/66/28/1313456628.db2.gz DHDRWSIWOQOAHW-PMACEKPBSA-N 3 1 330.520 2.530 20 10 EFCDMP CCC[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@H]1CC[NH2+]C1 ZINC001236323205 1313469013 /nfs/dbraw/zinc/46/90/13/1313469013.db2.gz GKYOEKWHNDOXHJ-KRWDZBQOSA-N 2 1 329.488 2.665 20 10 EFCDMP CCC[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@H]1CC[NH2+]C1 ZINC001236323205 1313469014 /nfs/dbraw/zinc/46/90/14/1313469014.db2.gz GKYOEKWHNDOXHJ-KRWDZBQOSA-N 2 1 329.488 2.665 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c2ccccc2n1C ZINC001206564529 1313477403 /nfs/dbraw/zinc/47/74/03/1313477403.db2.gz QDNJDUVTDFLYFF-HXUWFJFHSA-N 2 1 343.471 2.916 20 10 EFCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001236434791 1313481052 /nfs/dbraw/zinc/48/10/52/1313481052.db2.gz VTUNJRTULXGQAH-OAQYLSRUSA-N 2 1 343.515 2.877 20 10 EFCDMP CC(C)C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551032 1313490899 /nfs/dbraw/zinc/49/08/99/1313490899.db2.gz JRUDJUTYKWXGBZ-XUTJKUGGSA-N 3 1 344.547 2.824 20 10 EFCDMP COC(=O)c1c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c2ccccc2n1C ZINC001206770125 1313504252 /nfs/dbraw/zinc/50/42/52/1313504252.db2.gz RGNMWKIHZAOTPL-KBPBESRZSA-N 2 1 329.444 2.524 20 10 EFCDMP COC(=O)c1c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c2ccccc2n1C ZINC001206770125 1313504255 /nfs/dbraw/zinc/50/42/55/1313504255.db2.gz RGNMWKIHZAOTPL-KBPBESRZSA-N 2 1 329.444 2.524 20 10 EFCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]2C1 ZINC001236923709 1313554153 /nfs/dbraw/zinc/55/41/53/1313554153.db2.gz ZFOSQSMFCAAVSA-WBVHZDCISA-N 2 1 349.906 2.560 20 10 EFCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]2C1 ZINC001236923709 1313554157 /nfs/dbraw/zinc/55/41/57/1313554157.db2.gz ZFOSQSMFCAAVSA-WBVHZDCISA-N 2 1 349.906 2.560 20 10 EFCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]2C1 ZINC001236923709 1313554161 /nfs/dbraw/zinc/55/41/61/1313554161.db2.gz ZFOSQSMFCAAVSA-WBVHZDCISA-N 2 1 349.906 2.560 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@H](CC4(F)F)C3)c(F)c2)CC1 ZINC001236936912 1313557363 /nfs/dbraw/zinc/55/73/63/1313557363.db2.gz UJRWYABDDMLMRP-ZBFHGGJFSA-N 2 1 339.405 2.665 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCOC(C)(C)C3)c(F)c2)CC1 ZINC001236940150 1313557388 /nfs/dbraw/zinc/55/73/88/1313557388.db2.gz YMDUVPDXXBKHQP-UHFFFAOYSA-N 2 1 335.467 2.578 20 10 EFCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@@]1(C)O ZINC001236937011 1313557656 /nfs/dbraw/zinc/55/76/56/1313557656.db2.gz XJUBZLGNNPBBQL-OXQOHEQNSA-N 2 1 349.494 2.560 20 10 EFCDMP CCO[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236940867 1313558076 /nfs/dbraw/zinc/55/80/76/1313558076.db2.gz VKNVNVIVBSPLAQ-SFHVURJKSA-N 2 1 335.467 2.578 20 10 EFCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001237056776 1313577667 /nfs/dbraw/zinc/57/76/67/1313577667.db2.gz BXGBMUORPNKGRW-CZUORRHYSA-N 2 1 344.377 2.717 20 10 EFCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001237056776 1313577671 /nfs/dbraw/zinc/57/76/71/1313577671.db2.gz BXGBMUORPNKGRW-CZUORRHYSA-N 2 1 344.377 2.717 20 10 EFCDMP c1c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001237405789 1313638856 /nfs/dbraw/zinc/63/88/56/1313638856.db2.gz RWCBVCUFEZVNJE-PMACEKPBSA-N 2 1 325.500 2.959 20 10 EFCDMP c1c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001237405794 1313638948 /nfs/dbraw/zinc/63/89/48/1313638948.db2.gz RWCBVCUFEZVNJE-VQTJNVASSA-N 2 1 325.500 2.959 20 10 EFCDMP Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237414969 1313640686 /nfs/dbraw/zinc/64/06/86/1313640686.db2.gz NSARNFDYRPXPDH-IUODEOHRSA-N 2 1 344.377 2.907 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853241710 1300063228 /nfs/dbraw/zinc/06/32/28/1300063228.db2.gz XEYISNNIACDFNW-ZBFHGGJFSA-N 2 1 346.471 2.951 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853241710 1300063238 /nfs/dbraw/zinc/06/32/38/1300063238.db2.gz XEYISNNIACDFNW-ZBFHGGJFSA-N 2 1 346.471 2.951 20 10 EFCDMP CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(O)c1 ZINC000863646981 1302667911 /nfs/dbraw/zinc/66/79/11/1302667911.db2.gz UBSIKWSTQRWKDJ-TZMCWYRMSA-N 2 1 332.366 2.750 20 10 EFCDMP CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(O)c1 ZINC000863646981 1302667926 /nfs/dbraw/zinc/66/79/26/1302667926.db2.gz UBSIKWSTQRWKDJ-TZMCWYRMSA-N 2 1 332.366 2.750 20 10 EFCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001276576584 1314000372 /nfs/dbraw/zinc/00/03/72/1314000372.db2.gz JFTMUYRHYGNGIA-AYHJJNSGSA-N 2 1 341.499 2.806 20 10 EFCDMP Cc1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(C)n1-c1ccccc1 ZINC001222090755 1311082605 /nfs/dbraw/zinc/08/26/05/1311082605.db2.gz JLYSLNYMQUDOET-UHFFFAOYSA-N 2 1 338.499 2.622 20 10 EFCDMP CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(O)c1 ZINC001222615969 1311161524 /nfs/dbraw/zinc/16/15/24/1311161524.db2.gz UOAXNEXRKRLMBR-LJQANCHMSA-N 2 1 338.451 2.980 20 10 EFCDMP COc1cc(N(C)C)ccc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001231858796 1312575507 /nfs/dbraw/zinc/57/55/07/1312575507.db2.gz ZSPUAPYEWKMVRU-UHFFFAOYSA-N 2 1 340.471 2.787 20 10 EFCDMP COc1cc(N(C)C)ccc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001231858095 1312575620 /nfs/dbraw/zinc/57/56/20/1312575620.db2.gz SAEKIASXRKNJDR-UHFFFAOYSA-N 2 1 340.471 2.787 20 10 EFCDMP CC[C@@H]1CC(NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](CC)[NH2+]1 ZINC001246186070 1314594719 /nfs/dbraw/zinc/59/47/19/1314594719.db2.gz WQYQPCBQYDCMOU-RTBURBONSA-N 2 1 344.547 2.837 20 10 EFCDMP C[NH2+]CC[C@H](C)[NH+]1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001246993651 1314726268 /nfs/dbraw/zinc/72/62/68/1314726268.db2.gz IFPDEIQAJWRVOH-ZDUSSCGKSA-N 2 1 331.382 2.705 20 10 EFCDMP C[C@@H](Cc1ccco1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318367111 1328566517 /nfs/dbraw/zinc/56/65/17/1328566517.db2.gz INRNVQCASYYKNT-HNNXBMFYSA-N 2 1 331.435 2.891 20 10 EFCDMP CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318396740 1328574276 /nfs/dbraw/zinc/57/42/76/1328574276.db2.gz JOBPXGGEGVQNBU-QUCCMNQESA-N 2 1 348.510 2.540 20 10 EFCDMP CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318396743 1328574472 /nfs/dbraw/zinc/57/44/72/1328574472.db2.gz JOBPXGGEGVQNBU-UYAOXDASSA-N 2 1 348.510 2.540 20 10 EFCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cc1ccccn1 ZINC001254010698 1315665504 /nfs/dbraw/zinc/66/55/04/1315665504.db2.gz JXJWPQHZWDCWEH-UHFFFAOYSA-N 2 1 342.462 2.995 20 10 EFCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cc1ccccn1 ZINC001254010698 1315665507 /nfs/dbraw/zinc/66/55/07/1315665507.db2.gz JXJWPQHZWDCWEH-UHFFFAOYSA-N 2 1 342.462 2.995 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(CO)CCCCC3)cc2F)CC1 ZINC001254197172 1315680361 /nfs/dbraw/zinc/68/03/61/1315680361.db2.gz RMYJBUUFGYTEOK-UHFFFAOYSA-N 2 1 349.494 2.610 20 10 EFCDMP Cc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc(C)n1 ZINC001261387497 1316408795 /nfs/dbraw/zinc/40/87/95/1316408795.db2.gz CZEKGROLXLRUBM-UHFFFAOYSA-N 2 1 342.462 2.879 20 10 EFCDMP C[C@H]1SCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1C ZINC001319712631 1328960227 /nfs/dbraw/zinc/96/02/27/1328960227.db2.gz PTRJIWAOMLUQKG-LSDHHAIUSA-N 2 1 337.508 2.903 20 10 EFCDMP C[C@H]1SCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1C ZINC001319712631 1328960229 /nfs/dbraw/zinc/96/02/29/1328960229.db2.gz PTRJIWAOMLUQKG-LSDHHAIUSA-N 2 1 337.508 2.903 20 10 EFCDMP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(C)C ZINC001319850019 1329013798 /nfs/dbraw/zinc/01/37/98/1329013798.db2.gz BDUYODLPLNIVEA-GDIGMMSISA-N 2 1 349.494 2.727 20 10 EFCDMP CCC(CC)(CCO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321257741 1329364023 /nfs/dbraw/zinc/36/40/23/1329364023.db2.gz DVHAUVKMFNSNKK-UHFFFAOYSA-N 2 1 337.483 2.608 20 10 EFCDMP CO[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)C1 ZINC001321674072 1329402428 /nfs/dbraw/zinc/40/24/28/1329402428.db2.gz KXGSZTXTLXOFSH-DOTOQJQBSA-N 2 1 335.467 2.577 20 10 EFCDMP CO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)C1 ZINC001321674072 1329402430 /nfs/dbraw/zinc/40/24/30/1329402430.db2.gz KXGSZTXTLXOFSH-DOTOQJQBSA-N 2 1 335.467 2.577 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCOC(C)(C)C3)cc2F)CC1 ZINC001325696432 1329707214 /nfs/dbraw/zinc/70/72/14/1329707214.db2.gz RZZODAVJMWNHCE-KRWDZBQOSA-N 2 1 349.494 2.872 20 10 EFCDMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001327839643 1330520484 /nfs/dbraw/zinc/52/04/84/1330520484.db2.gz JRXYOUBCVOCUCD-KBPBESRZSA-N 2 1 325.884 2.683 20 10 EFCDMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001327839645 1330520832 /nfs/dbraw/zinc/52/08/32/1330520832.db2.gz JRXYOUBCVOCUCD-UONOGXRCSA-N 2 1 325.884 2.683 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCSC[C@H]3C3CC3)cc2F)CC1 ZINC001327953827 1330533841 /nfs/dbraw/zinc/53/38/41/1330533841.db2.gz ZMROLYXLENPVCT-IBGZPJMESA-N 2 1 349.519 2.905 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCSC[C@H]3C3CC3)cc2F)CC1 ZINC001327953827 1330533845 /nfs/dbraw/zinc/53/38/45/1330533845.db2.gz ZMROLYXLENPVCT-IBGZPJMESA-N 2 1 349.519 2.905 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCOC(C)(C)C)cc2F)CC1 ZINC001329559229 1330719108 /nfs/dbraw/zinc/71/91/08/1330719108.db2.gz YCOMLRWKWVHWAS-UHFFFAOYSA-N 2 1 337.483 2.872 20 10 EFCDMP CO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C12CCC2 ZINC001331469293 1330840772 /nfs/dbraw/zinc/84/07/72/1330840772.db2.gz GUDIAUQXUUACRU-OALUTQOASA-N 2 1 347.478 2.625 20 10 EFCDMP CCCCC[N@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341523156 1332265046 /nfs/dbraw/zinc/26/50/46/1332265046.db2.gz FPMCSCHPPFEWTI-UHFFFAOYSA-N 2 1 337.483 2.562 20 10 EFCDMP CCCCC[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001341523156 1332265047 /nfs/dbraw/zinc/26/50/47/1332265047.db2.gz FPMCSCHPPFEWTI-UHFFFAOYSA-N 2 1 337.483 2.562 20 10 EFCDMP CCC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCOCC1 ZINC001343747915 1332375659 /nfs/dbraw/zinc/37/56/59/1332375659.db2.gz GLMVNJDRTVLOHS-UHFFFAOYSA-N 2 1 349.494 2.874 20 10 EFCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC001346539708 1332654767 /nfs/dbraw/zinc/65/47/67/1332654767.db2.gz FZLQZORWJRVRJL-FQEVSTJZSA-N 2 1 343.515 2.974 20 10 EFCDMP COCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCC1 ZINC001350583689 1333099800 /nfs/dbraw/zinc/09/98/00/1333099800.db2.gz NVIAAZLIMXCOBY-UHFFFAOYSA-N 2 1 335.467 2.626 20 10 EFCDMP CN1CCCc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)ccc21 ZINC000848525615 1334775415 /nfs/dbraw/zinc/77/54/15/1334775415.db2.gz OQPFIRUVKYSYGG-FQEVSTJZSA-N 2 1 343.515 2.802 20 10 EFCDMP COc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000161613613 718338607 /nfs/dbraw/zinc/33/86/07/718338607.db2.gz RGVIBFFSFLIBKC-IEBWSBKVSA-N 2 1 329.488 2.880 20 10 EFCDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC000311905419 718963665 /nfs/dbraw/zinc/96/36/65/718963665.db2.gz DEMOMNQNBHIFPR-WFASDCNBSA-N 2 1 325.250 2.716 20 10 EFCDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Br)ccc3O)C[C@@H]21 ZINC000220348635 720886787 /nfs/dbraw/zinc/88/67/87/720886787.db2.gz DSRUDECEUIWUIX-LEWSCRJBSA-N 2 1 325.250 2.714 20 10 EFCDMP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001576392101 1089180989 /nfs/dbraw/zinc/18/09/89/1089180989.db2.gz WTLJFTKLWDZALZ-LZQZEXGQSA-N 2 1 347.478 2.529 20 10 EFCDMP COC1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC001578940866 1090484034 /nfs/dbraw/zinc/48/40/34/1090484034.db2.gz LJWJMCMVJNMGRN-IOMROCGXSA-N 2 1 343.515 2.861 20 10 EFCDMP COC1CCN(c2ccc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC001578941088 1090484244 /nfs/dbraw/zinc/48/42/44/1090484244.db2.gz ODJGYOWWGJGRLS-SJLPKXTDSA-N 2 1 331.504 2.861 20 10 EFCDMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC001580185318 1090804865 /nfs/dbraw/zinc/80/48/65/1090804865.db2.gz WRPLCWPMVXOXPM-WBVHZDCISA-N 2 1 342.842 2.903 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC001206810774 1101679124 /nfs/dbraw/zinc/67/91/24/1101679124.db2.gz PLPYOZVFYMDNDH-GHMZBOCLSA-N 2 1 343.265 2.723 20 10 EFCDMP COc1cc(O)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC001206810774 1101679127 /nfs/dbraw/zinc/67/91/27/1101679127.db2.gz PLPYOZVFYMDNDH-GHMZBOCLSA-N 2 1 343.265 2.723 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC001206810775 1101679185 /nfs/dbraw/zinc/67/91/85/1101679185.db2.gz PLPYOZVFYMDNDH-MNOVXSKESA-N 2 1 343.265 2.723 20 10 EFCDMP COc1cc(O)c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Br)c1 ZINC001206810775 1101679189 /nfs/dbraw/zinc/67/91/89/1101679189.db2.gz PLPYOZVFYMDNDH-MNOVXSKESA-N 2 1 343.265 2.723 20 10 EFCDMP CC[N@H+](Cc1cc(C)c(Br)cc1O)C[C@H]1CC[NH2+]C1 ZINC001236410179 1112616028 /nfs/dbraw/zinc/61/60/28/1112616028.db2.gz FQYFINHICNRPQO-LBPRGKRZSA-N 2 1 327.266 2.895 20 10 EFCDMP CCC[N@@H+](Cc1c(O)cccc1Br)C[C@H]1CC[NH2+]C1 ZINC001236836942 1118160823 /nfs/dbraw/zinc/16/08/23/1118160823.db2.gz ZKVPTGRIHIAITR-LBPRGKRZSA-N 2 1 327.266 2.976 20 10 EFCDMP CCC[N@H+](Cc1c(O)cccc1Br)C[C@H]1CC[NH2+]C1 ZINC001236836942 1118160826 /nfs/dbraw/zinc/16/08/26/1118160826.db2.gz ZKVPTGRIHIAITR-LBPRGKRZSA-N 2 1 327.266 2.976 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000160296981 239046911 /nfs/dbraw/zinc/04/69/11/239046911.db2.gz NYDSRESNCLVUHR-HNNXBMFYSA-N 2 1 334.460 2.717 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000160296981 239046919 /nfs/dbraw/zinc/04/69/19/239046919.db2.gz NYDSRESNCLVUHR-HNNXBMFYSA-N 2 1 334.460 2.717 20 10 EFCDMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163103041 239102309 /nfs/dbraw/zinc/10/23/09/239102309.db2.gz OAAGBFOXEXUPTO-SFHVURJKSA-N 2 1 329.444 2.968 20 10 EFCDMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163103041 239102315 /nfs/dbraw/zinc/10/23/15/239102315.db2.gz OAAGBFOXEXUPTO-SFHVURJKSA-N 2 1 329.444 2.968 20 10 EFCDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000364452035 242299257 /nfs/dbraw/zinc/29/92/57/242299257.db2.gz WBCRJDMCGQRUEN-SZMVWBNQSA-N 2 1 347.478 2.940 20 10 EFCDMP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1O ZINC000367616619 242386478 /nfs/dbraw/zinc/38/64/78/242386478.db2.gz LQSUHNKRYSRYSJ-YJBOKZPZSA-N 2 1 335.467 2.741 20 10 EFCDMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000128408129 472447516 /nfs/dbraw/zinc/44/75/16/472447516.db2.gz MBWJXWFWGOCTHK-HXUWFJFHSA-N 2 1 332.536 2.821 20 10 EFCDMP COc1ccc(N2CCC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000152423542 473561756 /nfs/dbraw/zinc/56/17/56/473561756.db2.gz VROXWKNXEPJONJ-MRXNPFEDSA-N 2 1 329.488 2.738 20 10 EFCDMP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000278152435 474602771 /nfs/dbraw/zinc/60/27/71/474602771.db2.gz AGQBSLMZPRPLQE-JTQLQIEISA-N 2 1 333.259 2.806 20 10 EFCDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc(F)c3O)CC2)C[C@H](C)O1 ZINC000272312907 474607581 /nfs/dbraw/zinc/60/75/81/474607581.db2.gz SALGQLYBCVUVOC-GJZGRUSLSA-N 2 1 336.451 2.853 20 10 EFCDMP COc1ccc(O)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000279611237 474982184 /nfs/dbraw/zinc/98/21/84/474982184.db2.gz FSHFMLJVZODTCY-KDURUIRLSA-N 2 1 338.451 2.965 20 10 EFCDMP COc1ccc(O)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000279611237 474982192 /nfs/dbraw/zinc/98/21/92/474982192.db2.gz FSHFMLJVZODTCY-KDURUIRLSA-N 2 1 338.451 2.965 20 10 EFCDMP COc1ccc(O)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000279611237 474982200 /nfs/dbraw/zinc/98/22/00/474982200.db2.gz FSHFMLJVZODTCY-KDURUIRLSA-N 2 1 338.451 2.965 20 10 EFCDMP COc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1O ZINC000279688144 474986549 /nfs/dbraw/zinc/98/65/49/474986549.db2.gz PMQXVJLHVMKTTB-KDURUIRLSA-N 2 1 338.451 2.965 20 10 EFCDMP COc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1O ZINC000279688144 474986555 /nfs/dbraw/zinc/98/65/55/474986555.db2.gz PMQXVJLHVMKTTB-KDURUIRLSA-N 2 1 338.451 2.965 20 10 EFCDMP COc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1O ZINC000279688144 474986563 /nfs/dbraw/zinc/98/65/63/474986563.db2.gz PMQXVJLHVMKTTB-KDURUIRLSA-N 2 1 338.451 2.965 20 10 EFCDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834022 475046769 /nfs/dbraw/zinc/04/67/69/475046769.db2.gz LEPAYBDBLBRCQE-SPYBWZPUSA-N 2 1 349.494 2.605 20 10 EFCDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000369704819 476485508 /nfs/dbraw/zinc/48/55/08/476485508.db2.gz RVRXVKJSCIBNPN-UHFFFAOYSA-N 2 1 343.515 2.831 20 10 EFCDMP C[NH+]1CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000363157769 536343585 /nfs/dbraw/zinc/34/35/85/536343585.db2.gz NCNXCPHNEKWAMU-UHFFFAOYSA-N 2 1 339.430 2.941 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000756435129 575738831 /nfs/dbraw/zinc/73/88/31/575738831.db2.gz WJQIHTPIRYQYBF-HUUCEWRRSA-N 2 1 334.460 2.951 20 10 EFCDMP COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000756572656 575764488 /nfs/dbraw/zinc/76/44/88/575764488.db2.gz HHUNFOKVOBCANN-YOEHRIQHSA-N 2 1 334.460 2.695 20 10 EFCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc2c(cc1O)CCCC2 ZINC000768461430 577275549 /nfs/dbraw/zinc/27/55/49/577275549.db2.gz CWNRPXBBYYEAGG-SBHAEUEKSA-N 2 1 344.499 2.955 20 10 EFCDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769470636 577365017 /nfs/dbraw/zinc/36/50/17/577365017.db2.gz MLYQOMSBTQJHAE-WMZOPIPTSA-N 2 1 349.494 2.967 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769470636 577365018 /nfs/dbraw/zinc/36/50/18/577365018.db2.gz MLYQOMSBTQJHAE-WMZOPIPTSA-N 2 1 349.494 2.967 20 10 EFCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769470636 577365019 /nfs/dbraw/zinc/36/50/19/577365019.db2.gz MLYQOMSBTQJHAE-WMZOPIPTSA-N 2 1 349.494 2.967 20 10 EFCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769470636 577365020 /nfs/dbraw/zinc/36/50/20/577365020.db2.gz MLYQOMSBTQJHAE-WMZOPIPTSA-N 2 1 349.494 2.967 20 10 EFCDMP COC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(C)o1 ZINC000771843462 581250003 /nfs/dbraw/zinc/25/00/03/581250003.db2.gz PZSYEQITAOVQBN-LJQANCHMSA-N 2 1 343.471 2.817 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000850584679 1250549066 /nfs/dbraw/zinc/54/90/66/1250549066.db2.gz TVDZISIJGQADTG-AWEZNQCLSA-N 2 1 346.471 2.951 20 10 EFCDMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921526965 1257014492 /nfs/dbraw/zinc/01/44/92/1257014492.db2.gz KPYGNYAACPETOJ-UHFFFAOYSA-N 2 1 331.504 2.519 20 10 EFCDMP Oc1c(Br)cccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843127386 1261108839 /nfs/dbraw/zinc/10/88/39/1261108839.db2.gz QMFKARJZRKPMOP-CYBMUJFWSA-N 2 1 339.277 2.976 20 10 EFCDMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1N(C)C ZINC000923386480 1261594985 /nfs/dbraw/zinc/59/49/85/1261594985.db2.gz BYTMMVSBJULZBG-BJLQDIEVSA-N 2 1 331.504 2.779 20 10 EFCDMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1N(C)C ZINC000923386489 1261595002 /nfs/dbraw/zinc/59/50/02/1261595002.db2.gz BYTMMVSBJULZBG-NSHGMRRFSA-N 2 1 331.504 2.779 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](CO)CC(C)(C)C ZINC000825041032 1278394251 /nfs/dbraw/zinc/39/42/51/1278394251.db2.gz ZFIPXWRDZHRJCM-LJQANCHMSA-N 2 1 333.520 2.667 20 10 EFCDMP CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C12CCC2 ZINC000825104218 1278399612 /nfs/dbraw/zinc/39/96/12/1278399612.db2.gz RGMYYMVQTMHWCE-PMACEKPBSA-N 2 1 343.515 2.828 20 10 EFCDMP Cc1cc(O)c(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000825283139 1278492222 /nfs/dbraw/zinc/49/22/22/1278492222.db2.gz GDMZICZEMCALGP-OAHLLOKOSA-N 2 1 326.868 2.681 20 10 EFCDMP COc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1O ZINC000742374651 1270029241 /nfs/dbraw/zinc/02/92/41/1270029241.db2.gz BGFDXHIVGDKBCV-ZWNOBZJWSA-N 2 1 343.265 2.736 20 10 EFCDMP COc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000742374651 1270029257 /nfs/dbraw/zinc/02/92/57/1270029257.db2.gz BGFDXHIVGDKBCV-ZWNOBZJWSA-N 2 1 343.265 2.736 20 10 EFCDMP C[NH+](C)CCOC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792167132 1278610099 /nfs/dbraw/zinc/61/00/99/1278610099.db2.gz AUQDFSCUUKAFDG-UHFFFAOYSA-N 2 1 330.831 2.727 20 10 EFCDMP CCOc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001169154212 1272716988 /nfs/dbraw/zinc/71/69/88/1272716988.db2.gz OHRZKLWXWLPUCL-BWTSREIZSA-N 2 1 329.488 2.833 20 10 EFCDMP CCOc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169154212 1272716998 /nfs/dbraw/zinc/71/69/98/1272716998.db2.gz OHRZKLWXWLPUCL-BWTSREIZSA-N 2 1 329.488 2.833 20 10 EFCDMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000844221419 1278797014 /nfs/dbraw/zinc/79/70/14/1278797014.db2.gz ZORBSTISFFDGRV-UHFFFAOYSA-N 2 1 331.504 2.735 20 10 EFCDMP Oc1cccc(Br)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000706853934 1275053755 /nfs/dbraw/zinc/05/37/55/1275053755.db2.gz NQHVVPIFFITQCG-VXGBXAGGSA-N 2 1 325.250 2.871 20 10 EFCDMP Oc1cccc(Br)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000706853934 1275053769 /nfs/dbraw/zinc/05/37/69/1275053769.db2.gz NQHVVPIFFITQCG-VXGBXAGGSA-N 2 1 325.250 2.871 20 10 EFCDMP C[C@@H](C[NH2+]Cc1c(O)cccc1Br)C[NH+]1CCCC1 ZINC000706874962 1275067019 /nfs/dbraw/zinc/06/70/19/1275067019.db2.gz DANAYIRZJVPUBD-LBPRGKRZSA-N 2 1 327.266 2.976 20 10 EFCDMP C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817899347 1276366761 /nfs/dbraw/zinc/36/67/61/1276366761.db2.gz LGTFGNCGIQXQDH-ZQIUZPCESA-N 2 1 339.430 2.987 20 10 EFCDMP CCN1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cc2F)CC1 ZINC000817902643 1276367032 /nfs/dbraw/zinc/36/70/32/1276367032.db2.gz VVKUIMFIBWJEAN-MJGOQNOKSA-N 2 1 348.510 2.575 20 10 EFCDMP CCN1CCN(c2ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc2F)CC1 ZINC000817902563 1276367234 /nfs/dbraw/zinc/36/72/34/1276367234.db2.gz UIULWYNILYSCHC-INIZCTEOSA-N 2 1 336.499 2.575 20 10 EFCDMP COc1ccc(N2CCC([NH2+][C@@H](C)c3c[nH+]ccc3N)CC2)cc1 ZINC000817903990 1276368724 /nfs/dbraw/zinc/36/87/24/1276368724.db2.gz ZKBIBCPTEZCMAR-AWEZNQCLSA-N 2 1 326.444 2.822 20 10 EFCDMP COC[C@@]1(C[NH2+][C@H](C)c2cc(Br)ccc2O)CCC[NH2+]1 ZINC000817975532 1276416310 /nfs/dbraw/zinc/41/63/10/1276416310.db2.gz WGATVGFYXVDAIO-ABAIWWIYSA-N 2 1 343.265 2.574 20 10 EFCDMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1N(C)C ZINC000815074259 1287300344 /nfs/dbraw/zinc/30/03/44/1287300344.db2.gz NMHVIFJRPRLKMO-YSIASYRMSA-N 2 1 331.504 2.745 20 10 EFCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000844902490 1279323958 /nfs/dbraw/zinc/32/39/58/1279323958.db2.gz NZGWKQMLZFJZKP-GMBSWORKSA-N 2 1 334.460 2.509 20 10 EFCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000844902492 1279323996 /nfs/dbraw/zinc/32/39/96/1279323996.db2.gz NZGWKQMLZFJZKP-URLQWDBASA-N 2 1 334.460 2.509 20 10 EFCDMP COc1cccc(O)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000793243215 1279471338 /nfs/dbraw/zinc/47/13/38/1279471338.db2.gz VQJHNOMDLOCJKB-HDICACEKSA-N 2 1 338.451 2.965 20 10 EFCDMP COc1cccc(O)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000793243215 1279471341 /nfs/dbraw/zinc/47/13/41/1279471341.db2.gz VQJHNOMDLOCJKB-HDICACEKSA-N 2 1 338.451 2.965 20 10 EFCDMP COc1cccc(O)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000793243215 1279471344 /nfs/dbraw/zinc/47/13/44/1279471344.db2.gz VQJHNOMDLOCJKB-HDICACEKSA-N 2 1 338.451 2.965 20 10 EFCDMP COc1cccc(O)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000793243215 1279471347 /nfs/dbraw/zinc/47/13/47/1279471347.db2.gz VQJHNOMDLOCJKB-HDICACEKSA-N 2 1 338.451 2.965 20 10 EFCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](CC)CO1 ZINC000846026757 1279986975 /nfs/dbraw/zinc/98/69/75/1279986975.db2.gz HFOZHTYOMCBDHH-AZUAARDMSA-N 2 1 331.504 2.828 20 10 EFCDMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(N2CCOCC2)cc1 ZINC000846845439 1280571680 /nfs/dbraw/zinc/57/16/80/1280571680.db2.gz OJOOAYJHFCWNTK-MRXNPFEDSA-N 2 1 328.460 2.540 20 10 EFCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1O ZINC000808679828 1281840205 /nfs/dbraw/zinc/84/02/05/1281840205.db2.gz BMGTWLUVEGHHDO-ZDUSSCGKSA-N 2 1 326.868 2.851 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3c3cc[nH]n3)cc2)CC1 ZINC000809692775 1282378828 /nfs/dbraw/zinc/37/88/28/1282378828.db2.gz GOXRJKAAXGFPPU-FQEVSTJZSA-N 2 1 339.487 2.889 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3c3cc[nH]n3)cc2)CC1 ZINC000809692775 1282378835 /nfs/dbraw/zinc/37/88/35/1282378835.db2.gz GOXRJKAAXGFPPU-FQEVSTJZSA-N 2 1 339.487 2.889 20 10 EFCDMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815616176 1287639243 /nfs/dbraw/zinc/63/92/43/1287639243.db2.gz IBWPXXLXYWLCOX-PZJWPPBQSA-N 2 1 340.467 2.722 20 10 EFCDMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815616176 1287639246 /nfs/dbraw/zinc/63/92/46/1287639246.db2.gz IBWPXXLXYWLCOX-PZJWPPBQSA-N 2 1 340.467 2.722 20 10 EFCDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(F)ccc3O)CC2)CC1 ZINC000817413801 1288591133 /nfs/dbraw/zinc/59/11/33/1288591133.db2.gz KVQUFQFICFWMNL-UHFFFAOYSA-N 2 1 335.467 2.523 20 10 EFCDMP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000824172601 1289561226 /nfs/dbraw/zinc/56/12/26/1289561226.db2.gz RBAXZZNOOHQCAE-IBGZPJMESA-N 2 1 345.512 2.541 20 10 EFCDMP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000824172601 1289561229 /nfs/dbraw/zinc/56/12/29/1289561229.db2.gz RBAXZZNOOHQCAE-IBGZPJMESA-N 2 1 345.512 2.541 20 10 EFCDMP CC(C)[NH2+]C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876661384 1290970145 /nfs/dbraw/zinc/97/01/45/1290970145.db2.gz CSXXYFBYZFTBFP-UHFFFAOYSA-N 2 1 331.504 2.610 20 10 EFCDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876771809 1291016427 /nfs/dbraw/zinc/01/64/27/1291016427.db2.gz ZLNJIFNCADCROQ-IBGZPJMESA-N 2 1 345.531 2.811 20 10 EFCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876771809 1291016436 /nfs/dbraw/zinc/01/64/36/1291016436.db2.gz ZLNJIFNCADCROQ-IBGZPJMESA-N 2 1 345.531 2.811 20 10 EFCDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877057390 1291119779 /nfs/dbraw/zinc/11/97/79/1291119779.db2.gz CBXRZZKCLCZYQY-UHFFFAOYSA-N 2 1 342.487 2.723 20 10 EFCDMP CCN1CCO[C@@H]2C[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233285358 1312895704 /nfs/dbraw/zinc/89/57/04/1312895704.db2.gz COQYYDQLDNTFBO-QFBILLFUSA-N 2 1 332.488 2.842 20 10 EFCDMP CC[N@@H+]1CCO[C@@H]2CN(Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233285358 1312895708 /nfs/dbraw/zinc/89/57/08/1312895708.db2.gz COQYYDQLDNTFBO-QFBILLFUSA-N 2 1 332.488 2.842 20 10 EFCDMP CC[N@H+]1CCO[C@@H]2CN(Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233285358 1312895712 /nfs/dbraw/zinc/89/57/12/1312895712.db2.gz COQYYDQLDNTFBO-QFBILLFUSA-N 2 1 332.488 2.842 20 10 EFCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001205581930 1292800354 /nfs/dbraw/zinc/80/03/54/1292800354.db2.gz VKFGLBDUHJDHRR-CQSZACIVSA-N 2 1 336.329 2.944 20 10 EFCDMP Oc1ccccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001203552217 1312953864 /nfs/dbraw/zinc/95/38/64/1312953864.db2.gz FHAGDQAUSPFYRO-UHFFFAOYSA-N 2 1 340.471 2.633 20 10 EFCDMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001203551683 1312954520 /nfs/dbraw/zinc/95/45/20/1312954520.db2.gz KKDAHCKDTVJEIZ-KRWDZBQOSA-N 2 1 346.471 2.632 20 10 EFCDMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001203551683 1312954524 /nfs/dbraw/zinc/95/45/24/1312954524.db2.gz KKDAHCKDTVJEIZ-KRWDZBQOSA-N 2 1 346.471 2.632 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)C3CCCCC3)cc2)CC1 ZINC000775634048 1293792593 /nfs/dbraw/zinc/79/25/93/1293792593.db2.gz OBJSXQTYCFOBQN-UHFFFAOYSA-N 2 1 331.504 2.565 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)cc2)CC1 ZINC000775657870 1293934046 /nfs/dbraw/zinc/93/40/46/1293934046.db2.gz ANYHSDIAFFDAPE-GOSISDBHSA-N 2 1 339.487 2.541 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](c4ncc[nH]4)C3)cc2)CC1 ZINC000775659628 1293943357 /nfs/dbraw/zinc/94/33/57/1293943357.db2.gz ZOQNUOZPTOISQC-SFHVURJKSA-N 2 1 339.487 2.541 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H](c4ccco4)C3)cc2)CC1 ZINC000775734712 1294323105 /nfs/dbraw/zinc/32/31/05/1294323105.db2.gz XSIOZZZDTVAZMQ-FQEVSTJZSA-N 2 1 341.455 2.605 20 10 EFCDMP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC000305358483 1296162604 /nfs/dbraw/zinc/16/26/04/1296162604.db2.gz SMIFMJDVPFFWEK-IAGOWNOFSA-N 2 1 347.478 2.503 20 10 EFCDMP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC000305358483 1296162610 /nfs/dbraw/zinc/16/26/10/1296162610.db2.gz SMIFMJDVPFFWEK-IAGOWNOFSA-N 2 1 347.478 2.503 20 10 EFCDMP Cc1c(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001235008761 1313222554 /nfs/dbraw/zinc/22/25/54/1313222554.db2.gz QPZQTSXMXOZFDR-HXUWFJFHSA-N 2 1 327.472 2.689 20 10 EFCDMP Cc1c(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001235008761 1313222558 /nfs/dbraw/zinc/22/25/58/1313222558.db2.gz QPZQTSXMXOZFDR-HXUWFJFHSA-N 2 1 327.472 2.689 20 10 EFCDMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001275267340 1296246752 /nfs/dbraw/zinc/24/67/52/1296246752.db2.gz LYQWUTRNBVHSNX-UHFFFAOYSA-N 2 1 348.487 2.691 20 10 EFCDMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001275267340 1296246759 /nfs/dbraw/zinc/24/67/59/1296246759.db2.gz LYQWUTRNBVHSNX-UHFFFAOYSA-N 2 1 348.487 2.691 20 10 EFCDMP Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001275315102 1296255082 /nfs/dbraw/zinc/25/50/82/1296255082.db2.gz PNDRCBPFVSMVAK-HXUWFJFHSA-N 2 1 331.504 2.550 20 10 EFCDMP Cc1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(C)n1-c1ccccc1 ZINC001205219440 1313253082 /nfs/dbraw/zinc/25/30/82/1313253082.db2.gz DBERONIAPXGYAV-HXUWFJFHSA-N 2 1 327.472 2.770 20 10 EFCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001275802774 1296413308 /nfs/dbraw/zinc/41/33/08/1296413308.db2.gz NSOAMWRPKHTSHN-AEFFLSMTSA-N 2 1 345.531 2.757 20 10 EFCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001205248773 1313258751 /nfs/dbraw/zinc/25/87/51/1313258751.db2.gz SPNMCUHPEHIJKN-HXUWFJFHSA-N 2 1 326.440 2.735 20 10 EFCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001205248771 1313258847 /nfs/dbraw/zinc/25/88/47/1313258847.db2.gz SPNMCUHPEHIJKN-FQEVSTJZSA-N 2 1 326.440 2.735 20 10 EFCDMP Cc1ccc(C)c(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1O ZINC001275968920 1296464013 /nfs/dbraw/zinc/46/40/13/1296464013.db2.gz SMOGMQGWWBGALU-UHFFFAOYSA-N 2 1 345.531 2.859 20 10 EFCDMP Cc1ccc(C)c(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)c1O ZINC001275968920 1296464015 /nfs/dbraw/zinc/46/40/15/1296464015.db2.gz SMOGMQGWWBGALU-UHFFFAOYSA-N 2 1 345.531 2.859 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001205317368 1313269004 /nfs/dbraw/zinc/26/90/04/1313269004.db2.gz OFYKXFYHCOXDGA-GJZGRUSLSA-N 2 1 343.471 2.772 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001205317368 1313269007 /nfs/dbraw/zinc/26/90/07/1313269007.db2.gz OFYKXFYHCOXDGA-GJZGRUSLSA-N 2 1 343.471 2.772 20 10 EFCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC001205545826 1313310220 /nfs/dbraw/zinc/31/02/20/1313310220.db2.gz NQOKRWYEEBFSGP-AWEZNQCLSA-N 2 1 331.229 2.808 20 10 EFCDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000925574261 1296858085 /nfs/dbraw/zinc/85/80/85/1296858085.db2.gz CVRJQXXISLEWDQ-GUYCJALGSA-N 2 1 339.430 2.987 20 10 EFCDMP C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)CC[C@H]1C[NH3+] ZINC001205602676 1313321383 /nfs/dbraw/zinc/32/13/83/1313321383.db2.gz LKTVYNSLWVMLQH-RYUDHWBXSA-N 2 1 327.266 2.962 20 10 EFCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001205726866 1313345903 /nfs/dbraw/zinc/34/59/03/1313345903.db2.gz YUCDRZGIYOLOLL-FQEVSTJZSA-N 2 1 344.430 2.874 20 10 EFCDMP CCN(CC)c1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)c1 ZINC001205767896 1313352725 /nfs/dbraw/zinc/35/27/25/1313352725.db2.gz CABVZTMVSDVMGP-CQSZACIVSA-N 2 1 327.419 2.654 20 10 EFCDMP COc1ccc2ccc(O)c(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)c2c1 ZINC001205788672 1313355910 /nfs/dbraw/zinc/35/59/10/1313355910.db2.gz PQBBYNURGSLISD-CYBMUJFWSA-N 2 1 336.382 2.970 20 10 EFCDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000776257498 1297289104 /nfs/dbraw/zinc/28/91/04/1297289104.db2.gz LXOLEXANVCIHQN-UHFFFAOYSA-N 2 1 344.459 2.937 20 10 EFCDMP COc1ccc2c(c1)c1c(n2C)CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001235839437 1313407535 /nfs/dbraw/zinc/40/75/35/1313407535.db2.gz RPIDRXWRQIFHNV-OAHLLOKOSA-N 2 1 327.472 2.935 20 10 EFCDMP Cc1cccc(CC[N@H+](C)Cc2cc3c(cc2O)OCC[NH2+]C3)c1 ZINC001235839440 1313407596 /nfs/dbraw/zinc/40/75/96/1313407596.db2.gz RWMOXWOLYGCRRS-UHFFFAOYSA-N 2 1 326.440 2.857 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CCC[C@H]2CC[NH3+])c2ccccc2n1C ZINC001235925193 1313418839 /nfs/dbraw/zinc/41/88/39/1313418839.db2.gz DQUXAQPWLBVIOC-AWEZNQCLSA-N 2 1 329.444 2.668 20 10 EFCDMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236072118 1313437946 /nfs/dbraw/zinc/43/79/46/1313437946.db2.gz OEQHUSXONKBSTM-INIZCTEOSA-N 2 1 337.467 2.749 20 10 EFCDMP CCCCN(CCCC)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206491219 1313463891 /nfs/dbraw/zinc/46/38/91/1313463891.db2.gz IKEVISAPPXZIQJ-FXAWDEMLSA-N 2 1 349.519 2.550 20 10 EFCDMP Clc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1N1CCOCC1 ZINC001236321432 1313468943 /nfs/dbraw/zinc/46/89/43/1313468943.db2.gz JSASHSGCJSHOGR-CALCHBBNSA-N 2 1 349.906 2.608 20 10 EFCDMP Oc1cc2c(cc1C[N@H+]1CCOC[C@@H]1C1CCCCC1)C[NH2+]CCO2 ZINC001236433323 1313480401 /nfs/dbraw/zinc/48/04/01/1313480401.db2.gz GXDSJRHUYXOUAT-GOSISDBHSA-N 2 1 346.471 2.655 20 10 EFCDMP O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236434830 1313480882 /nfs/dbraw/zinc/48/08/82/1313480882.db2.gz WVPKVSCEWHITIE-FQEVSTJZSA-N 2 1 349.478 2.801 20 10 EFCDMP CC(C)[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@H]1CC[NH2+]C1 ZINC001236530438 1313488934 /nfs/dbraw/zinc/48/89/34/1313488934.db2.gz QCLSFPNYRYBABC-KRWDZBQOSA-N 2 1 329.488 2.663 20 10 EFCDMP CC(C)[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@H]1CC[NH2+]C1 ZINC001236530438 1313488935 /nfs/dbraw/zinc/48/89/35/1313488935.db2.gz QCLSFPNYRYBABC-KRWDZBQOSA-N 2 1 329.488 2.663 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(CC4(F)F)C3)c(F)c2)CC1 ZINC001236938849 1313557180 /nfs/dbraw/zinc/55/71/80/1313557180.db2.gz OKQBHFMDSKPTIO-KRWDZBQOSA-N 2 1 339.405 2.809 20 10 EFCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C[C@@H]1CCCCO1 ZINC001236938059 1313557523 /nfs/dbraw/zinc/55/75/23/1313557523.db2.gz IXDHDZFUMUFLOX-SFHVURJKSA-N 2 1 335.467 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)c(F)c2)CC1 ZINC001236938863 1313557584 /nfs/dbraw/zinc/55/75/84/1313557584.db2.gz OMUBNCMENUIOCI-AWEZNQCLSA-N 2 1 345.384 2.962 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C(F)(F)F)C3)c(F)c2)CC1 ZINC001236938863 1313557585 /nfs/dbraw/zinc/55/75/85/1313557585.db2.gz OMUBNCMENUIOCI-AWEZNQCLSA-N 2 1 345.384 2.962 20 10 EFCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@@]1(C)O ZINC001236937010 1313557717 /nfs/dbraw/zinc/55/77/17/1313557717.db2.gz XJUBZLGNNPBBQL-OXJNMPFZSA-N 2 1 349.494 2.560 20 10 EFCDMP CO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)[C@@H](C)C1 ZINC001236944807 1313558610 /nfs/dbraw/zinc/55/86/10/1313558610.db2.gz GEOIFUZTXBYONK-MAUKXSAKSA-N 2 1 335.467 2.577 20 10 EFCDMP CC(C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C1CCOCC1 ZINC001236947394 1313559222 /nfs/dbraw/zinc/55/92/22/1313559222.db2.gz RCUSNFAFLLFRGU-UHFFFAOYSA-N 2 1 349.494 2.967 20 10 EFCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)cc3O)C2)C1 ZINC001237060641 1313578651 /nfs/dbraw/zinc/57/86/51/1313578651.db2.gz WLHZGYJGTDNTLV-MRXNPFEDSA-N 2 1 344.377 2.861 20 10 EFCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)C2)C1 ZINC001237060641 1313578653 /nfs/dbraw/zinc/57/86/53/1313578653.db2.gz WLHZGYJGTDNTLV-MRXNPFEDSA-N 2 1 344.377 2.861 20 10 EFCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3O)C2)C1 ZINC001237060641 1313578656 /nfs/dbraw/zinc/57/86/56/1313578656.db2.gz WLHZGYJGTDNTLV-MRXNPFEDSA-N 2 1 344.377 2.861 20 10 EFCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC2(C1)CCCCC2 ZINC001237204674 1313605219 /nfs/dbraw/zinc/60/52/19/1313605219.db2.gz NEGNDSVHNHTFJX-UHFFFAOYSA-N 2 1 329.488 2.958 20 10 EFCDMP Oc1c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001237390497 1313634886 /nfs/dbraw/zinc/63/48/86/1313634886.db2.gz IRXDQVSWMDNDEU-QFBILLFUSA-N 2 1 341.499 2.665 20 10 EFCDMP Oc1c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cccc1OC(F)(F)F ZINC001237415855 1313641524 /nfs/dbraw/zinc/64/15/24/1313641524.db2.gz OQRYHHSKABTVNP-AAEUAGOBSA-N 2 1 330.350 2.865 20 10 EFCDMP Oc1c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cccc1OC(F)(F)F ZINC001237415856 1313641598 /nfs/dbraw/zinc/64/15/98/1313641598.db2.gz OQRYHHSKABTVNP-DGCLKSJQSA-N 2 1 330.350 2.865 20 10 EFCDMP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(O)c(OC)c1 ZINC001237683828 1313690734 /nfs/dbraw/zinc/69/07/34/1313690734.db2.gz KWMUYWWQTWGGIM-OAHLLOKOSA-N 2 1 344.411 2.766 20 10 EFCDMP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(O)c(OC)c1 ZINC001237683828 1313690737 /nfs/dbraw/zinc/69/07/37/1313690737.db2.gz KWMUYWWQTWGGIM-OAHLLOKOSA-N 2 1 344.411 2.766 20 10 EFCDMP Oc1c(F)cccc1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276537398 1313702755 /nfs/dbraw/zinc/70/27/55/1313702755.db2.gz GKDRBIKLKUBQMQ-UHFFFAOYSA-N 2 1 344.434 2.743 20 10 EFCDMP Oc1c(F)cccc1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276537398 1313702760 /nfs/dbraw/zinc/70/27/60/1313702760.db2.gz GKDRBIKLKUBQMQ-UHFFFAOYSA-N 2 1 344.434 2.743 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4c(O)cccc4C3)cc2)CC1 ZINC000862528889 1302406059 /nfs/dbraw/zinc/40/60/59/1302406059.db2.gz DQYXGGPTSPBRKW-UHFFFAOYSA-N 2 1 337.467 2.702 20 10 EFCDMP COc1ccc(N2CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)cc1 ZINC001208181953 1313863876 /nfs/dbraw/zinc/86/38/76/1313863876.db2.gz DDCGLUHMGZMTKU-UHFFFAOYSA-N 2 1 331.504 2.939 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC001222242162 1311103869 /nfs/dbraw/zinc/10/38/69/1311103869.db2.gz BZXRXUBPAGSYHW-OAQYLSRUSA-N 3 1 342.531 2.547 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC001222242162 1311103870 /nfs/dbraw/zinc/10/38/70/1311103870.db2.gz BZXRXUBPAGSYHW-OAQYLSRUSA-N 3 1 342.531 2.547 20 10 EFCDMP Oc1c(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cccc1-c1ccccc1 ZINC001222506984 1311144287 /nfs/dbraw/zinc/14/42/87/1311144287.db2.gz LANPHUJIJNGVIC-PMACEKPBSA-N 2 1 337.467 2.585 20 10 EFCDMP Oc1cc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)cc(O)c1O ZINC001276832931 1311173539 /nfs/dbraw/zinc/17/35/39/1311173539.db2.gz FIHPLVBZJGPONY-UHFFFAOYSA-N 2 1 332.444 2.644 20 10 EFCDMP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000902518333 1311827670 /nfs/dbraw/zinc/82/76/70/1311827670.db2.gz PDQKPDULGHVMBV-BURNTYAHSA-N 2 1 344.547 2.866 20 10 EFCDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1O)C2 ZINC001231591400 1312529026 /nfs/dbraw/zinc/52/90/26/1312529026.db2.gz BSUXPTURGCLUMJ-FPOVZHCZSA-N 2 1 344.499 2.881 20 10 EFCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C)c1O)C2 ZINC001231591400 1312529028 /nfs/dbraw/zinc/52/90/28/1312529028.db2.gz BSUXPTURGCLUMJ-FPOVZHCZSA-N 2 1 344.499 2.881 20 10 EFCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C)c1O)C2 ZINC001231591400 1312529032 /nfs/dbraw/zinc/52/90/32/1312529032.db2.gz BSUXPTURGCLUMJ-FPOVZHCZSA-N 2 1 344.499 2.881 20 10 EFCDMP COc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c(O)cc1O ZINC001231637030 1312536776 /nfs/dbraw/zinc/53/67/76/1312536776.db2.gz DARJWTTWOOCFDE-JKSUJKDBSA-N 2 1 334.460 2.945 20 10 EFCDMP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c(O)cc1O ZINC001231637030 1312536780 /nfs/dbraw/zinc/53/67/80/1312536780.db2.gz DARJWTTWOOCFDE-JKSUJKDBSA-N 2 1 334.460 2.945 20 10 EFCDMP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c(O)cc1O ZINC001231637030 1312536782 /nfs/dbraw/zinc/53/67/82/1312536782.db2.gz DARJWTTWOOCFDE-JKSUJKDBSA-N 2 1 334.460 2.945 20 10 EFCDMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(N4CCOCC4)c(Cl)c3)C2)C1 ZINC001232199064 1312646808 /nfs/dbraw/zinc/64/68/08/1312646808.db2.gz BCKSZNAOXKCRQZ-LJQANCHMSA-N 2 1 349.906 2.704 20 10 EFCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1O ZINC001276373838 1314574787 /nfs/dbraw/zinc/57/47/87/1314574787.db2.gz LBXHNVXPPLPSLJ-KDURUIRLSA-N 2 1 339.483 2.756 20 10 EFCDMP CCCC[C@@H]1C[C@@H](NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC001246184722 1314594610 /nfs/dbraw/zinc/59/46/10/1314594610.db2.gz OOXLKLXQHRVXFZ-UXHICEINSA-N 2 1 344.547 2.839 20 10 EFCDMP CCOc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)cc1 ZINC001246948776 1314713066 /nfs/dbraw/zinc/71/30/66/1314713066.db2.gz LQYCXTOPWLQQJO-UYAOXDASSA-N 2 1 331.504 2.984 20 10 EFCDMP Cn1cncc1C[C@H]([NH3+])c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217693266 1315101884 /nfs/dbraw/zinc/10/18/84/1315101884.db2.gz JRBSJHFHNIVZEZ-INIZCTEOSA-N 2 1 334.383 2.503 20 10 EFCDMP c1ccc(C[N@H+]2CC[C@@H](Oc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001217946138 1315123464 /nfs/dbraw/zinc/12/34/64/1315123464.db2.gz NPVQVJZQGICJGN-OAQYLSRUSA-N 2 1 337.467 2.750 20 10 EFCDMP c1ccc2c(c1)CN1CC[C@H](Oc3ccc(N4CC[NH2+]CC4)cc3)C1=[NH+]2 ZINC001218359175 1315184389 /nfs/dbraw/zinc/18/43/89/1315184389.db2.gz PIUNFYLVRSSTRU-FQEVSTJZSA-N 2 1 348.450 2.793 20 10 EFCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc3ccccc3cc1O)C2 ZINC001276811879 1315390810 /nfs/dbraw/zinc/39/08/10/1315390810.db2.gz AHIXMBVTDRRQBH-UZLBHIALSA-N 2 1 339.483 2.613 20 10 EFCDMP Oc1cc(O)c(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC001256598362 1315966861 /nfs/dbraw/zinc/96/68/61/1315966861.db2.gz VLIJKTMAAUBSNC-UHFFFAOYSA-N 2 1 342.439 2.600 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](O)CC(C)(C)C3)cc2F)CC1 ZINC001261256297 1316399062 /nfs/dbraw/zinc/39/90/62/1316399062.db2.gz BDOZMPJMXUUOIX-KRWDZBQOSA-N 2 1 349.494 2.560 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](O)CC(C)(C)C3)cc2F)CC1 ZINC001261256297 1316399065 /nfs/dbraw/zinc/39/90/65/1316399065.db2.gz BDOZMPJMXUUOIX-KRWDZBQOSA-N 2 1 349.494 2.560 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCCCO1 ZINC001319948364 1329042394 /nfs/dbraw/zinc/04/23/94/1329042394.db2.gz SWGFXZRLDVGGPK-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCCCO1 ZINC001319948364 1329042399 /nfs/dbraw/zinc/04/23/99/1329042399.db2.gz SWGFXZRLDVGGPK-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000904405059 1324875422 /nfs/dbraw/zinc/87/54/22/1324875422.db2.gz ICLXJVHBLNBISS-HNNXBMFYSA-N 2 1 332.448 2.756 20 10 EFCDMP O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1N1CCCCC1 ZINC000904420931 1324877084 /nfs/dbraw/zinc/87/70/84/1324877084.db2.gz YXWIDTXRCBZTOG-DLBZAZTESA-N 2 1 344.459 2.626 20 10 EFCDMP O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1N1CCCCC1 ZINC000904420931 1324877090 /nfs/dbraw/zinc/87/70/90/1324877090.db2.gz YXWIDTXRCBZTOG-DLBZAZTESA-N 2 1 344.459 2.626 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3CC(F)(F)C3)cc2F)CC1 ZINC001324076916 1329596926 /nfs/dbraw/zinc/59/69/26/1329596926.db2.gz PPURLMMEINLCRU-UHFFFAOYSA-N 2 1 327.394 2.712 20 10 EFCDMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001325301227 1329678927 /nfs/dbraw/zinc/67/89/27/1329678927.db2.gz YNTOEMGDCJBRMY-DLBZAZTESA-N 2 1 349.494 2.872 20 10 EFCDMP CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)OC ZINC001326446324 1329757420 /nfs/dbraw/zinc/75/74/20/1329757420.db2.gz LILOGTMLUQSUHY-BEFAXECRSA-N 2 1 337.483 2.728 20 10 EFCDMP CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)OC ZINC001326446326 1329757514 /nfs/dbraw/zinc/75/75/14/1329757514.db2.gz LILOGTMLUQSUHY-HNAYVOBHSA-N 2 1 337.483 2.728 20 10 EFCDMP CO[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001328654823 1330612665 /nfs/dbraw/zinc/61/26/65/1330612665.db2.gz FIGWGSJMEDSOBR-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP CO[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001328654823 1330612670 /nfs/dbraw/zinc/61/26/70/1330612670.db2.gz FIGWGSJMEDSOBR-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001328659921 1330613000 /nfs/dbraw/zinc/61/30/00/1330613000.db2.gz QEECXJGJEYLMBT-QRWLVFNGSA-N 2 1 349.494 2.871 20 10 EFCDMP CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C12CCC2 ZINC001331469302 1330840960 /nfs/dbraw/zinc/84/09/60/1330840960.db2.gz GUDIAUQXUUACRU-RTBURBONSA-N 2 1 347.478 2.625 20 10 EFCDMP COc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c(O)cc1C ZINC001337238395 1331552977 /nfs/dbraw/zinc/55/29/77/1331552977.db2.gz VYXHISOTSNRSLM-OAHLLOKOSA-N 2 1 327.428 2.815 20 10 EFCDMP CCSCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001339920435 1332114471 /nfs/dbraw/zinc/11/44/71/1332114471.db2.gz JLJVEMGDPYRKBV-UHFFFAOYSA-N 2 1 325.497 2.810 20 10 EFCDMP COCC1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001348499245 1332843288 /nfs/dbraw/zinc/84/32/88/1332843288.db2.gz NDXQFMHSLWVBTR-UHFFFAOYSA-N 2 1 349.494 2.872 20 10 EFCDMP C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001349838229 1333003324 /nfs/dbraw/zinc/00/33/24/1333003324.db2.gz HMXPENOGWPODOR-INIZCTEOSA-N 2 1 342.462 2.693 20 10 EFCDMP Cc1nccn1CCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000162714628 718362846 /nfs/dbraw/zinc/36/28/46/718362846.db2.gz RBYBMFNADGQBQQ-UHFFFAOYSA-N 2 1 342.487 2.940 20 10 EFCDMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000162714628 718362848 /nfs/dbraw/zinc/36/28/48/718362848.db2.gz RBYBMFNADGQBQQ-UHFFFAOYSA-N 2 1 342.487 2.940 20 10 EFCDMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000162714628 718362849 /nfs/dbraw/zinc/36/28/49/718362849.db2.gz RBYBMFNADGQBQQ-UHFFFAOYSA-N 2 1 342.487 2.940 20 10 EFCDMP C[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCC[NH+](C)C1 ZINC000092253336 719435878 /nfs/dbraw/zinc/43/58/78/719435878.db2.gz SMHNNRYUFCTKGK-GFCCVEGCSA-N 2 1 327.266 2.928 20 10 EFCDMP C[NH+](Cc1cc(Br)ccc1O)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253336 719435881 /nfs/dbraw/zinc/43/58/81/719435881.db2.gz SMHNNRYUFCTKGK-GFCCVEGCSA-N 2 1 327.266 2.928 20 10 EFCDMP C[NH+](Cc1cc(Br)ccc1O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253336 719435883 /nfs/dbraw/zinc/43/58/83/719435883.db2.gz SMHNNRYUFCTKGK-GFCCVEGCSA-N 2 1 327.266 2.928 20 10 EFCDMP COc1cc(C)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1O ZINC000894196954 721190765 /nfs/dbraw/zinc/19/07/65/721190765.db2.gz JRQQYHMOOWGVGQ-UHFFFAOYSA-N 2 1 338.411 2.888 20 10 EFCDMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000841099544 727973456 /nfs/dbraw/zinc/97/34/56/727973456.db2.gz LLTQIJHQWHTFHN-RHSMWYFYSA-N 2 1 342.842 2.903 20 10 EFCDMP COc1ccc(N2CCC([NH2+]C[C@@H]([NH3+])CC(F)(F)F)CC2)cc1 ZINC001579225228 1090551415 /nfs/dbraw/zinc/55/14/15/1090551415.db2.gz GJZWSGQLZWDABV-LBPRGKRZSA-N 2 1 331.382 2.533 20 10 EFCDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)C1 ZINC001580201193 1090807761 /nfs/dbraw/zinc/80/77/61/1090807761.db2.gz XIMBYKUUDMBNEJ-PPHDSNJXSA-N 2 1 342.842 2.903 20 10 EFCDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)C1 ZINC001580201193 1090807763 /nfs/dbraw/zinc/80/77/63/1090807763.db2.gz XIMBYKUUDMBNEJ-PPHDSNJXSA-N 2 1 342.842 2.903 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC ZINC000160275258 239049184 /nfs/dbraw/zinc/04/91/84/239049184.db2.gz YUGHXCAPLSEQLW-INIZCTEOSA-N 2 1 334.460 2.860 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC ZINC000160275258 239049190 /nfs/dbraw/zinc/04/91/90/239049190.db2.gz YUGHXCAPLSEQLW-INIZCTEOSA-N 2 1 334.460 2.860 20 10 EFCDMP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000185166121 473348938 /nfs/dbraw/zinc/34/89/38/473348938.db2.gz HLWQOTDJRIXERM-AWEZNQCLSA-N 2 1 344.434 2.529 20 10 EFCDMP CC[N@H+](Cc1cc(Br)ccc1O)CC1CC[NH2+]CC1 ZINC000178976679 473602968 /nfs/dbraw/zinc/60/29/68/473602968.db2.gz WFWODSJRAROMJU-UHFFFAOYSA-N 2 1 327.266 2.976 20 10 EFCDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2c(cc1O)CCCC2 ZINC000282311509 474019336 /nfs/dbraw/zinc/01/93/36/474019336.db2.gz NBEZJRDADZJUGC-INIZCTEOSA-N 2 1 345.531 2.948 20 10 EFCDMP CCN(CC)c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282462023 474074987 /nfs/dbraw/zinc/07/49/87/474074987.db2.gz TZTVSORTVGFSFS-UHFFFAOYSA-N 2 1 332.536 2.648 20 10 EFCDMP Cc1cccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1O ZINC000190310314 474575717 /nfs/dbraw/zinc/57/57/17/474575717.db2.gz HDXAGJTWFLHYGC-NRFANRHFSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1cccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1O ZINC000190310314 474575722 /nfs/dbraw/zinc/57/57/22/474575722.db2.gz HDXAGJTWFLHYGC-NRFANRHFSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1cccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000190310314 474575743 /nfs/dbraw/zinc/57/57/43/474575743.db2.gz HDXAGJTWFLHYGC-NRFANRHFSA-N 2 1 340.467 2.769 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000273622759 474994242 /nfs/dbraw/zinc/99/42/42/474994242.db2.gz ZOJGCTCLCDALJS-GJZGRUSLSA-N 2 1 334.460 2.950 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000273622759 474994247 /nfs/dbraw/zinc/99/42/47/474994247.db2.gz ZOJGCTCLCDALJS-GJZGRUSLSA-N 2 1 334.460 2.950 20 10 EFCDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268798955 475042430 /nfs/dbraw/zinc/04/24/30/475042430.db2.gz IQWWVUKSUJNLBR-CQSZACIVSA-N 2 1 332.423 2.518 20 10 EFCDMP COc1c(O)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376000735 477125115 /nfs/dbraw/zinc/12/51/15/477125115.db2.gz QWDZOEKBXUTQPA-UHFFFAOYSA-N 2 1 349.431 2.617 20 10 EFCDMP COc1c(O)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376000735 477125118 /nfs/dbraw/zinc/12/51/18/477125118.db2.gz QWDZOEKBXUTQPA-UHFFFAOYSA-N 2 1 349.431 2.617 20 10 EFCDMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(cc1O)CCCC2 ZINC000368324743 477797818 /nfs/dbraw/zinc/79/78/18/477797818.db2.gz UDSGKOIAHRKDNX-WBAXXEDZSA-N 2 1 330.472 2.785 20 10 EFCDMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc2c(cc1O)CCCC2 ZINC000368324743 477797821 /nfs/dbraw/zinc/79/78/21/477797821.db2.gz UDSGKOIAHRKDNX-WBAXXEDZSA-N 2 1 330.472 2.785 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000756435127 575738513 /nfs/dbraw/zinc/73/85/13/575738513.db2.gz WJQIHTPIRYQYBF-CABCVRRESA-N 2 1 334.460 2.951 20 10 EFCDMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2c1c(F)ccc2O ZINC000756565117 575763224 /nfs/dbraw/zinc/76/32/24/575763224.db2.gz VONBHCCLYSBNJI-FMKPAKJESA-N 2 1 336.451 2.906 20 10 EFCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000762916580 576346594 /nfs/dbraw/zinc/34/65/94/576346594.db2.gz HSVWBUXRPYECEZ-UHFFFAOYSA-N 2 1 328.460 2.550 20 10 EFCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000762916580 576346596 /nfs/dbraw/zinc/34/65/96/576346596.db2.gz HSVWBUXRPYECEZ-UHFFFAOYSA-N 2 1 328.460 2.550 20 10 EFCDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166781 577115624 /nfs/dbraw/zinc/11/56/24/577115624.db2.gz SOOHTKKBLFUROU-YQQAZPJKSA-N 2 1 335.467 2.796 20 10 EFCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166781 577115626 /nfs/dbraw/zinc/11/56/26/577115626.db2.gz SOOHTKKBLFUROU-YQQAZPJKSA-N 2 1 335.467 2.796 20 10 EFCDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000768231829 577261988 /nfs/dbraw/zinc/26/19/88/577261988.db2.gz ZSTGMLIHEYSTIG-UHFFFAOYSA-N 2 1 331.504 2.828 20 10 EFCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000769471336 577364942 /nfs/dbraw/zinc/36/49/42/577364942.db2.gz SSAQJWCBMNXSNK-FXAWDEMLSA-N 2 1 331.504 2.828 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000769471336 577364944 /nfs/dbraw/zinc/36/49/44/577364944.db2.gz SSAQJWCBMNXSNK-FXAWDEMLSA-N 2 1 331.504 2.828 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000769471336 577364945 /nfs/dbraw/zinc/36/49/45/577364945.db2.gz SSAQJWCBMNXSNK-FXAWDEMLSA-N 2 1 331.504 2.828 20 10 EFCDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769513591 577368806 /nfs/dbraw/zinc/36/88/06/577368806.db2.gz CGKVJVWGRARBSJ-FQEVSTJZSA-N 2 1 343.515 2.687 20 10 EFCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769513591 577368808 /nfs/dbraw/zinc/36/88/08/577368808.db2.gz CGKVJVWGRARBSJ-FQEVSTJZSA-N 2 1 343.515 2.687 20 10 EFCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769513591 577368810 /nfs/dbraw/zinc/36/88/10/577368810.db2.gz CGKVJVWGRARBSJ-FQEVSTJZSA-N 2 1 343.515 2.687 20 10 EFCDMP CCOCc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1OC ZINC000850397319 1250463276 /nfs/dbraw/zinc/46/32/76/1250463276.db2.gz VTQCAGOURNHYCZ-IBGZPJMESA-N 2 1 348.487 2.575 20 10 EFCDMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000733329113 1265171123 /nfs/dbraw/zinc/17/11/23/1265171123.db2.gz MXRSNBZHQCVRHK-QGZVFWFLSA-N 2 1 335.467 2.625 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCSC[C@@H]3C3CC3)cc2)CC1 ZINC000824914545 1278341925 /nfs/dbraw/zinc/34/19/25/1278341925.db2.gz UNVCVKYUXGYBIF-LJQANCHMSA-N 2 1 331.529 2.766 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](CO)CC(C)(C)C ZINC000825041031 1278394377 /nfs/dbraw/zinc/39/43/77/1278394377.db2.gz ZFIPXWRDZHRJCM-IBGZPJMESA-N 2 1 333.520 2.667 20 10 EFCDMP CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C12CCC2 ZINC000825104220 1278399134 /nfs/dbraw/zinc/39/91/34/1278399134.db2.gz RGMYYMVQTMHWCE-VQTJNVASSA-N 2 1 343.515 2.828 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139676 1272700881 /nfs/dbraw/zinc/70/08/81/1272700881.db2.gz DCSAXZIPKOZOJK-PMOLBWCYSA-N 2 1 329.488 2.580 20 10 EFCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139676 1272700886 /nfs/dbraw/zinc/70/08/86/1272700886.db2.gz DCSAXZIPKOZOJK-PMOLBWCYSA-N 2 1 329.488 2.580 20 10 EFCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139676 1272700898 /nfs/dbraw/zinc/70/08/98/1272700898.db2.gz DCSAXZIPKOZOJK-PMOLBWCYSA-N 2 1 329.488 2.580 20 10 EFCDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000691455340 1274132772 /nfs/dbraw/zinc/13/27/72/1274132772.db2.gz NYUYSIISXSKLDZ-LBPRGKRZSA-N 2 1 327.266 2.976 20 10 EFCDMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000706854214 1275054755 /nfs/dbraw/zinc/05/47/55/1275054755.db2.gz VYUUFZGIFQDOOZ-LBPRGKRZSA-N 2 1 327.266 2.976 20 10 EFCDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000706854214 1275054760 /nfs/dbraw/zinc/05/47/60/1275054760.db2.gz VYUUFZGIFQDOOZ-LBPRGKRZSA-N 2 1 327.266 2.976 20 10 EFCDMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000788258250 1276109388 /nfs/dbraw/zinc/10/93/88/1276109388.db2.gz VAVJRDHPSKJERG-AWEZNQCLSA-N 2 1 348.878 2.803 20 10 EFCDMP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817968401 1276411380 /nfs/dbraw/zinc/41/13/80/1276411380.db2.gz RQMFLFRILLUAGI-SECBINFHSA-N 2 1 329.213 2.864 20 10 EFCDMP CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894930 1276364908 /nfs/dbraw/zinc/36/49/08/1276364908.db2.gz PFLFKJHRVOEERQ-UXHICEINSA-N 2 1 331.504 2.516 20 10 EFCDMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cc2F)CC1 ZINC000817902642 1276367448 /nfs/dbraw/zinc/36/74/48/1276367448.db2.gz VVKUIMFIBWJEAN-IEBWSBKVSA-N 2 1 348.510 2.575 20 10 EFCDMP COc1ccc(N2CCC([NH2+][C@H](C)c3c[nH+]ccc3N)CC2)cc1 ZINC000817903991 1276368747 /nfs/dbraw/zinc/36/87/47/1276368747.db2.gz ZKBIBCPTEZCMAR-CQSZACIVSA-N 2 1 326.444 2.822 20 10 EFCDMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817971872 1276413299 /nfs/dbraw/zinc/41/32/99/1276413299.db2.gz QLFHFFYONNIRMW-KFWWJZLASA-N 2 1 337.895 2.968 20 10 EFCDMP COC[C@]1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CCC[NH2+]1 ZINC000817975535 1276416234 /nfs/dbraw/zinc/41/62/34/1276416234.db2.gz WGATVGFYXVDAIO-XHDPSFHLSA-N 2 1 343.265 2.574 20 10 EFCDMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817983436 1276421244 /nfs/dbraw/zinc/42/12/44/1276421244.db2.gz CZSFDYPZXWZHAF-CQSZACIVSA-N 2 1 337.895 2.969 20 10 EFCDMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817983219 1276421908 /nfs/dbraw/zinc/42/19/08/1276421908.db2.gz ZRRHGWVHSIOOGV-KBXCAEBGSA-N 2 1 335.467 2.830 20 10 EFCDMP COc1ccc(N2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC000818342722 1276511401 /nfs/dbraw/zinc/51/14/01/1276511401.db2.gz UXEPNQIAFORMKB-VBZNHOPUSA-N 2 1 329.488 2.736 20 10 EFCDMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000818430887 1276516052 /nfs/dbraw/zinc/51/60/52/1276516052.db2.gz AZNGBKGAWUIXDH-HZPDHXFCSA-N 2 1 332.448 2.945 20 10 EFCDMP COc1ccc(N2CC[C@H](C[NH2+][C@H](C)c3c[nH+]ccc3N)C2)cc1 ZINC000818614810 1276539161 /nfs/dbraw/zinc/53/91/61/1276539161.db2.gz GPSKRVHLWAYBGU-HUUCEWRRSA-N 2 1 326.444 2.680 20 10 EFCDMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1N(C)C ZINC000815078043 1287301893 /nfs/dbraw/zinc/30/18/93/1287301893.db2.gz LZPUSWSABYUTGG-WIYYLYMNSA-N 2 1 344.547 2.519 20 10 EFCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000844902455 1279325640 /nfs/dbraw/zinc/32/56/40/1279325640.db2.gz MYINEGWICGNXKF-CMKODMSKSA-N 2 1 331.504 2.779 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000844902231 1279325660 /nfs/dbraw/zinc/32/56/60/1279325660.db2.gz MDVVQSBKIUVQOV-FRQCXROJSA-N 2 1 335.467 2.610 20 10 EFCDMP CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846027758 1279986281 /nfs/dbraw/zinc/98/62/81/1279986281.db2.gz QAPRDPQDWHHUSV-SFHVURJKSA-N 2 1 331.504 2.828 20 10 EFCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](CC)CO1 ZINC000846026762 1279986700 /nfs/dbraw/zinc/98/67/00/1279986700.db2.gz HFOZHTYOMCBDHH-UYAOXDASSA-N 2 1 331.504 2.828 20 10 EFCDMP CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846026760 1279986720 /nfs/dbraw/zinc/98/67/20/1279986720.db2.gz HFOZHTYOMCBDHH-QUCCMNQESA-N 2 1 331.504 2.828 20 10 EFCDMP COc1cccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1O ZINC000846145509 1280052544 /nfs/dbraw/zinc/05/25/44/1280052544.db2.gz OELFYEURQFJCCZ-HOCLYGCPSA-N 2 1 334.460 2.695 20 10 EFCDMP CCOC1CC2(C1)CC[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000809708093 1282419807 /nfs/dbraw/zinc/41/98/07/1282419807.db2.gz YBUZWPVLMAJFBO-UHFFFAOYSA-N 2 1 343.515 2.829 20 10 EFCDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809767500 1282430862 /nfs/dbraw/zinc/43/08/62/1282430862.db2.gz MZORJKSBCHSRTH-HKUYNNGSSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809767500 1282430867 /nfs/dbraw/zinc/43/08/67/1282430867.db2.gz MZORJKSBCHSRTH-HKUYNNGSSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809767500 1282430874 /nfs/dbraw/zinc/43/08/74/1282430874.db2.gz MZORJKSBCHSRTH-HKUYNNGSSA-N 2 1 347.478 2.578 20 10 EFCDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(N(C)C)cc1 ZINC000809737399 1282437271 /nfs/dbraw/zinc/43/72/71/1282437271.db2.gz HGCMNVLVVPWIRS-FQEVSTJZSA-N 2 1 332.536 2.601 20 10 EFCDMP CCC[N@@H+](CC)C[C@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000810180624 1283007828 /nfs/dbraw/zinc/00/78/28/1283007828.db2.gz DVYNFLUJVLQEIP-SFHVURJKSA-N 2 1 332.536 2.648 20 10 EFCDMP CCCN(CC)C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000810180624 1283007839 /nfs/dbraw/zinc/00/78/39/1283007839.db2.gz DVYNFLUJVLQEIP-SFHVURJKSA-N 2 1 332.536 2.648 20 10 EFCDMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810238080 1283088249 /nfs/dbraw/zinc/08/82/49/1283088249.db2.gz XXWIKPGSKCWGED-HIFRSBDPSA-N 2 1 332.366 2.518 20 10 EFCDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816548949 1288198176 /nfs/dbraw/zinc/19/81/76/1288198176.db2.gz YCTHSWXEMIXQAK-UHFFFAOYSA-N 2 1 341.499 2.909 20 10 EFCDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc2ccccc2c1O ZINC000816611472 1288224106 /nfs/dbraw/zinc/22/41/06/1288224106.db2.gz QWFIAENYGIGRJB-UHFFFAOYSA-N 2 1 327.472 2.615 20 10 EFCDMP CC(C)[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCO1 ZINC000816675920 1288241255 /nfs/dbraw/zinc/24/12/55/1288241255.db2.gz OPWBZMSGQZKJHC-FQEVSTJZSA-N 2 1 331.504 2.685 20 10 EFCDMP COc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)cc1Cn1cccn1 ZINC000873014276 1289519190 /nfs/dbraw/zinc/51/91/90/1289519190.db2.gz NKPQWBLZZADTFN-RBUKOAKNSA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cn1cccn1 ZINC000873014276 1289519210 /nfs/dbraw/zinc/51/92/10/1289519210.db2.gz NKPQWBLZZADTFN-RBUKOAKNSA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1Cn1cccn1 ZINC000873014276 1289519223 /nfs/dbraw/zinc/51/92/23/1289519223.db2.gz NKPQWBLZZADTFN-RBUKOAKNSA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cn1cccn1 ZINC000873014274 1289519762 /nfs/dbraw/zinc/51/97/62/1289519762.db2.gz NKPQWBLZZADTFN-MOPGFXCFSA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cn1cccn1 ZINC000873014274 1289519777 /nfs/dbraw/zinc/51/97/77/1289519777.db2.gz NKPQWBLZZADTFN-MOPGFXCFSA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cn1cccn1 ZINC000873014274 1289519783 /nfs/dbraw/zinc/51/97/83/1289519783.db2.gz NKPQWBLZZADTFN-MOPGFXCFSA-N 2 1 340.471 2.656 20 10 EFCDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873029534 1289529107 /nfs/dbraw/zinc/52/91/07/1289529107.db2.gz JWRJSRCGKYJAKE-GOSISDBHSA-N 2 1 342.487 2.762 20 10 EFCDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cn1cccn1 ZINC000873061275 1289547189 /nfs/dbraw/zinc/54/71/89/1289547189.db2.gz RAELXANEGIQLPQ-MAUKXSAKSA-N 2 1 328.460 2.512 20 10 EFCDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232838119 1312792617 /nfs/dbraw/zinc/79/26/17/1312792617.db2.gz GTDDPCSDJRMJNP-UHFFFAOYSA-N 2 1 340.471 2.901 20 10 EFCDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000092664318 1290802217 /nfs/dbraw/zinc/80/22/17/1290802217.db2.gz BMKQIMMHWFLZJF-KDURUIRLSA-N 2 1 344.547 2.743 20 10 EFCDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000092664318 1290802233 /nfs/dbraw/zinc/80/22/33/1290802233.db2.gz BMKQIMMHWFLZJF-KDURUIRLSA-N 2 1 344.547 2.743 20 10 EFCDMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(O)c1 ZINC000877190402 1291160643 /nfs/dbraw/zinc/16/06/43/1291160643.db2.gz DNMZLQFVYHRSIV-HXUWFJFHSA-N 2 1 340.467 2.947 20 10 EFCDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532714 1291263029 /nfs/dbraw/zinc/26/30/29/1291263029.db2.gz WSPAQSIUBKQLNO-WIYYLYMNSA-N 2 1 343.515 2.564 20 10 EFCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532714 1291263036 /nfs/dbraw/zinc/26/30/36/1291263036.db2.gz WSPAQSIUBKQLNO-WIYYLYMNSA-N 2 1 343.515 2.564 20 10 EFCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532714 1291263040 /nfs/dbraw/zinc/26/30/40/1291263040.db2.gz WSPAQSIUBKQLNO-WIYYLYMNSA-N 2 1 343.515 2.564 20 10 EFCDMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001205570359 1292630492 /nfs/dbraw/zinc/63/04/92/1292630492.db2.gz JBJNHUNFLPTAOV-AWEZNQCLSA-N 2 1 349.219 2.947 20 10 EFCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001205570359 1292630507 /nfs/dbraw/zinc/63/05/07/1292630507.db2.gz JBJNHUNFLPTAOV-AWEZNQCLSA-N 2 1 349.219 2.947 20 10 EFCDMP COc1cccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1O ZINC001203590324 1312965111 /nfs/dbraw/zinc/96/51/11/1312965111.db2.gz WWNBXOOUMLYZRT-HXUWFJFHSA-N 2 1 348.487 2.724 20 10 EFCDMP COc1cccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1O ZINC001203590324 1312965112 /nfs/dbraw/zinc/96/51/12/1312965112.db2.gz WWNBXOOUMLYZRT-HXUWFJFHSA-N 2 1 348.487 2.724 20 10 EFCDMP COc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1O ZINC001203590324 1312965116 /nfs/dbraw/zinc/96/51/16/1312965116.db2.gz WWNBXOOUMLYZRT-HXUWFJFHSA-N 2 1 348.487 2.724 20 10 EFCDMP COc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1O ZINC001203590324 1312965118 /nfs/dbraw/zinc/96/51/18/1312965118.db2.gz WWNBXOOUMLYZRT-HXUWFJFHSA-N 2 1 348.487 2.724 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H]3CCCC[C@@H]3O)cc2F)CC1 ZINC001203870752 1313037625 /nfs/dbraw/zinc/03/76/25/1313037625.db2.gz BZNYJDJJIMIEBO-PXNSSMCTSA-N 2 1 349.494 2.608 20 10 EFCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775715993 1294241903 /nfs/dbraw/zinc/24/19/03/1294241903.db2.gz OGLIXAWOQYKTLR-GHTZIAJQSA-N 3 1 344.547 2.743 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775715993 1294241909 /nfs/dbraw/zinc/24/19/09/1294241909.db2.gz OGLIXAWOQYKTLR-GHTZIAJQSA-N 3 1 344.547 2.743 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775715993 1294241915 /nfs/dbraw/zinc/24/19/15/1294241915.db2.gz OGLIXAWOQYKTLR-GHTZIAJQSA-N 3 1 344.547 2.743 20 10 EFCDMP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3c(O)cccc3F)CC2)C1 ZINC001276360543 1295350780 /nfs/dbraw/zinc/35/07/80/1295350780.db2.gz VBLYFWVUYFLKSD-UHFFFAOYSA-N 2 1 349.494 2.771 20 10 EFCDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3c(O)cccc3F)CC2)C1 ZINC001276360543 1295350791 /nfs/dbraw/zinc/35/07/91/1295350791.db2.gz VBLYFWVUYFLKSD-UHFFFAOYSA-N 2 1 349.494 2.771 20 10 EFCDMP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234980423 1313216300 /nfs/dbraw/zinc/21/63/00/1313216300.db2.gz WXVAYPTWNAJZCE-BETUJISGSA-N 2 1 347.256 2.959 20 10 EFCDMP COc1ccc(Br)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1O ZINC001205280765 1313263990 /nfs/dbraw/zinc/26/39/90/1313263990.db2.gz IHQXSZJDFWHQLA-HNNXBMFYSA-N 2 1 343.265 2.867 20 10 EFCDMP COc1ccc(Br)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1O ZINC001205280765 1313263994 /nfs/dbraw/zinc/26/39/94/1313263994.db2.gz IHQXSZJDFWHQLA-HNNXBMFYSA-N 2 1 343.265 2.867 20 10 EFCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001205289289 1313264725 /nfs/dbraw/zinc/26/47/25/1313264725.db2.gz WDZRNAWKUUMSGD-SFHVURJKSA-N 2 1 337.895 2.880 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1Br ZINC001205288594 1313264773 /nfs/dbraw/zinc/26/47/73/1313264773.db2.gz LTZNJGBWZSPTDK-OAHLLOKOSA-N 2 1 343.265 2.867 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1Br ZINC001205288594 1313264777 /nfs/dbraw/zinc/26/47/77/1313264777.db2.gz LTZNJGBWZSPTDK-OAHLLOKOSA-N 2 1 343.265 2.867 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1Br ZINC001205288593 1313264804 /nfs/dbraw/zinc/26/48/04/1313264804.db2.gz LTZNJGBWZSPTDK-HNNXBMFYSA-N 2 1 343.265 2.867 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1Br ZINC001205288593 1313264808 /nfs/dbraw/zinc/26/48/08/1313264808.db2.gz LTZNJGBWZSPTDK-HNNXBMFYSA-N 2 1 343.265 2.867 20 10 EFCDMP C[C@@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1C[NH3+] ZINC001205303365 1313266860 /nfs/dbraw/zinc/26/68/60/1313266860.db2.gz DAZNDWSHLIDHFH-RHSMWYFYSA-N 2 1 329.488 2.508 20 10 EFCDMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001235401872 1313312505 /nfs/dbraw/zinc/31/25/05/1313312505.db2.gz HKZBCNKDGRONIQ-CTNGQTDRSA-N 2 1 343.490 2.909 20 10 EFCDMP COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424391 1313318525 /nfs/dbraw/zinc/31/85/25/1313318525.db2.gz HSOJBOQBSBVCLZ-IAGOWNOFSA-N 2 1 331.504 2.973 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)cc2)CC1 ZINC001205627229 1313325580 /nfs/dbraw/zinc/32/55/80/1313325580.db2.gz ODVXHNKRNDLCBY-AZUAARDMSA-N 3 1 344.547 2.635 20 10 EFCDMP C[C@H]1CC[N@@H+](Cc2cc(O)c(Br)cc2O)CC[C@@H]1C[NH3+] ZINC001205651128 1313331120 /nfs/dbraw/zinc/33/11/20/1313331120.db2.gz AIWFVKOZDFLMHE-WDEREUQCSA-N 2 1 343.265 2.667 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c2ccccc21 ZINC001205665624 1313334135 /nfs/dbraw/zinc/33/41/35/1313334135.db2.gz SWRSZAMMLKERRS-FQEVSTJZSA-N 2 1 327.472 2.582 20 10 EFCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001205726867 1313345589 /nfs/dbraw/zinc/34/55/89/1313345589.db2.gz YUCDRZGIYOLOLL-HXUWFJFHSA-N 2 1 344.430 2.874 20 10 EFCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCC[C@H]1CN1CCCC1 ZINC001235677809 1313372423 /nfs/dbraw/zinc/37/24/23/1313372423.db2.gz IPRAJBKVGKZKOW-NRFANRHFSA-N 2 1 342.531 2.547 20 10 EFCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCCC[C@H]1CN1CCCC1 ZINC001235677809 1313372426 /nfs/dbraw/zinc/37/24/26/1313372426.db2.gz IPRAJBKVGKZKOW-NRFANRHFSA-N 2 1 342.531 2.547 20 10 EFCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H](Cc3ccccc3)C1)C[NH2+]CCO2 ZINC001235715898 1313382751 /nfs/dbraw/zinc/38/27/51/1313382751.db2.gz XIVPLOFNCCNBCP-KRWDZBQOSA-N 2 1 338.451 2.939 20 10 EFCDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001235717622 1313382984 /nfs/dbraw/zinc/38/29/84/1313382984.db2.gz WOYUIPOXUYABLP-UHFFFAOYSA-N 2 1 343.515 2.913 20 10 EFCDMP CCCCN(CCCC)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205972970 1313383570 /nfs/dbraw/zinc/38/35/70/1313383570.db2.gz DUGGRNALFLRNCS-UYAOXDASSA-N 2 1 349.519 2.693 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c2ccccc2n1C ZINC001206012258 1313390847 /nfs/dbraw/zinc/39/08/47/1313390847.db2.gz JIKFFQJTGRBZML-GJZGRUSLSA-N 2 1 343.471 2.772 20 10 EFCDMP CCN(CC)c1ccc(C[N@H+](CCCOC)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001235805032 1313399982 /nfs/dbraw/zinc/39/99/82/1313399982.db2.gz GLGBXAPOXBTLHX-IBGZPJMESA-N 2 1 349.519 2.829 20 10 EFCDMP CCN(CC)c1ccc(C[N@@H+](CCCOC)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001235805032 1313399985 /nfs/dbraw/zinc/39/99/85/1313399985.db2.gz GLGBXAPOXBTLHX-IBGZPJMESA-N 2 1 349.519 2.829 20 10 EFCDMP COCCC[N@H+](Cc1ccc(N(C)C)cc1Cl)C1CC[NH2+]CC1 ZINC001235937922 1313420066 /nfs/dbraw/zinc/42/00/66/1313420066.db2.gz UEAYNVPZTUTATJ-UHFFFAOYSA-N 2 1 339.911 2.997 20 10 EFCDMP COCCC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C1CC[NH2+]CC1 ZINC001235937922 1313420070 /nfs/dbraw/zinc/42/00/70/1313420070.db2.gz UEAYNVPZTUTATJ-UHFFFAOYSA-N 2 1 339.911 2.997 20 10 EFCDMP CCOC(=O)c1c(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001235956445 1313423247 /nfs/dbraw/zinc/42/32/47/1313423247.db2.gz DCJZOJFFRJZYIJ-HNNXBMFYSA-N 2 1 343.471 2.786 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001235956445 1313423249 /nfs/dbraw/zinc/42/32/49/1313423249.db2.gz DCJZOJFFRJZYIJ-HNNXBMFYSA-N 2 1 343.471 2.786 20 10 EFCDMP Cc1cc(Br)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1O ZINC001235958748 1313423277 /nfs/dbraw/zinc/42/32/77/1313423277.db2.gz DDPOHBACXQATBY-GNXNZQSNSA-N 2 1 325.250 2.632 20 10 EFCDMP Cc1cc(Br)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1O ZINC001235958748 1313423279 /nfs/dbraw/zinc/42/32/79/1313423279.db2.gz DDPOHBACXQATBY-GNXNZQSNSA-N 2 1 325.250 2.632 20 10 EFCDMP Fc1ccc2c(c1)CC[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236092809 1313440626 /nfs/dbraw/zinc/44/06/26/1313440626.db2.gz DBGLZCRDEPWWDM-UHFFFAOYSA-N 2 1 325.431 2.794 20 10 EFCDMP C[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@@]1(C)CCC[NH2+]C1 ZINC001236207590 1313455507 /nfs/dbraw/zinc/45/55/07/1313455507.db2.gz OSUAICGLDQQTFY-FQEVSTJZSA-N 2 1 329.488 2.665 20 10 EFCDMP C[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@@]1(C)CCC[NH2+]C1 ZINC001236207590 1313455510 /nfs/dbraw/zinc/45/55/10/1313455510.db2.gz OSUAICGLDQQTFY-FQEVSTJZSA-N 2 1 329.488 2.665 20 10 EFCDMP CCOC(=O)c1c(C[N@H+](C)C2(C)CC[NH2+]CC2)c2ccccc2n1C ZINC001236226719 1313457685 /nfs/dbraw/zinc/45/76/85/1313457685.db2.gz RUQKTQPHGAGVHB-UHFFFAOYSA-N 2 1 343.471 2.929 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+](C)C2(C)CC[NH2+]CC2)c2ccccc2n1C ZINC001236226719 1313457687 /nfs/dbraw/zinc/45/76/87/1313457687.db2.gz RUQKTQPHGAGVHB-UHFFFAOYSA-N 2 1 343.471 2.929 20 10 EFCDMP CCC[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@@H]1CC[NH2+]C1 ZINC001236323207 1313469136 /nfs/dbraw/zinc/46/91/36/1313469136.db2.gz GKYOEKWHNDOXHJ-QGZVFWFLSA-N 2 1 329.488 2.665 20 10 EFCDMP CCC[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@@H]1CC[NH2+]C1 ZINC001236323207 1313469140 /nfs/dbraw/zinc/46/91/40/1313469140.db2.gz GKYOEKWHNDOXHJ-QGZVFWFLSA-N 2 1 329.488 2.665 20 10 EFCDMP Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321974 1313469262 /nfs/dbraw/zinc/46/92/62/1313469262.db2.gz YPCQUDQZYRWNHL-BETUJISGSA-N 2 1 344.377 2.765 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)c(F)c2)CC1 ZINC001206572176 1313477915 /nfs/dbraw/zinc/47/79/15/1313477915.db2.gz BVGVTXDXMWTUNA-HXUWFJFHSA-N 3 1 348.510 2.528 20 10 EFCDMP C[NH+]1CCN(c2cccc(C[N@H+]3CCc4cccc(O)c4C3)c2)CC1 ZINC001236893991 1313547506 /nfs/dbraw/zinc/54/75/06/1313547506.db2.gz PLJKEAFQUFEJLJ-UHFFFAOYSA-N 2 1 337.467 2.702 20 10 EFCDMP COC[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236931258 1313556238 /nfs/dbraw/zinc/55/62/38/1313556238.db2.gz IFNYFYDYOXRPJJ-GOSISDBHSA-N 2 1 335.467 2.578 20 10 EFCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C1CC(F)(F)C1 ZINC001236931269 1313556252 /nfs/dbraw/zinc/55/62/52/1313556252.db2.gz IJPXTBYSYRZHOT-UHFFFAOYSA-N 2 1 327.394 2.807 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C1CC(F)(F)C1 ZINC001236931269 1313556255 /nfs/dbraw/zinc/55/62/55/1313556255.db2.gz IJPXTBYSYRZHOT-UHFFFAOYSA-N 2 1 327.394 2.807 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(F)(F)CC3)c(F)c2)CC1 ZINC001236933448 1313556595 /nfs/dbraw/zinc/55/65/95/1313556595.db2.gz XTEJFRIRXGPLFK-UHFFFAOYSA-N 2 1 327.394 2.809 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(C3)CCCCO4)c(F)c2)CC1 ZINC001236936919 1313557066 /nfs/dbraw/zinc/55/70/66/1313557066.db2.gz UQVFESBNDMWWOU-HXUWFJFHSA-N 2 1 347.478 2.723 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCCO[C@H]4C3)c(F)c2)CC1 ZINC001236935211 1313557292 /nfs/dbraw/zinc/55/72/92/1313557292.db2.gz GMOAOLGFVSNSRE-JXFKEZNVSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(CC4(F)F)C3)c(F)c2)CC1 ZINC001236938852 1313557597 /nfs/dbraw/zinc/55/75/97/1313557597.db2.gz OKQBHFMDSKPTIO-QGZVFWFLSA-N 2 1 339.405 2.809 20 10 EFCDMP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(O)c(OC)c1 ZINC001237683827 1313691225 /nfs/dbraw/zinc/69/12/25/1313691225.db2.gz KWMUYWWQTWGGIM-HNNXBMFYSA-N 2 1 344.411 2.766 20 10 EFCDMP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(O)c(OC)c1 ZINC001237683827 1313691230 /nfs/dbraw/zinc/69/12/30/1313691230.db2.gz KWMUYWWQTWGGIM-HNNXBMFYSA-N 2 1 344.411 2.766 20 10 EFCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2c[nH+]cn21 ZINC001238113994 1313763587 /nfs/dbraw/zinc/76/35/87/1313763587.db2.gz PFMZJNBNLMOXNE-UHFFFAOYSA-N 2 1 336.439 2.803 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2c[nH+]cn21 ZINC001238113994 1313763589 /nfs/dbraw/zinc/76/35/89/1313763589.db2.gz PFMZJNBNLMOXNE-UHFFFAOYSA-N 2 1 336.439 2.803 20 10 EFCDMP Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001276826841 1311070149 /nfs/dbraw/zinc/07/01/49/1311070149.db2.gz ZGOZMWKQIWYSBM-FQEVSTJZSA-N 2 1 342.439 2.725 20 10 EFCDMP Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276826841 1311070152 /nfs/dbraw/zinc/07/01/52/1311070152.db2.gz ZGOZMWKQIWYSBM-FQEVSTJZSA-N 2 1 342.439 2.725 20 10 EFCDMP COC(=O)c1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c2ccccc2n1C ZINC001222147841 1311092095 /nfs/dbraw/zinc/09/20/95/1311092095.db2.gz BVDGJSKMUVIGAC-FQEVSTJZSA-N 2 1 341.455 2.540 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c2ccccc2n1C ZINC001222147841 1311092099 /nfs/dbraw/zinc/09/20/99/1311092099.db2.gz BVDGJSKMUVIGAC-FQEVSTJZSA-N 2 1 341.455 2.540 20 10 EFCDMP Oc1c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001222243980 1311104367 /nfs/dbraw/zinc/10/43/67/1311104367.db2.gz RNVDBLPQRORGHL-OAQYLSRUSA-N 2 1 341.499 2.809 20 10 EFCDMP Oc1c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001222243980 1311104370 /nfs/dbraw/zinc/10/43/70/1311104370.db2.gz RNVDBLPQRORGHL-OAQYLSRUSA-N 2 1 341.499 2.809 20 10 EFCDMP CN1CCOc2cc(C[N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)ccc21 ZINC001222602453 1311158564 /nfs/dbraw/zinc/15/85/64/1311158564.db2.gz QGCWHJQJAYFWAT-IBGZPJMESA-N 2 1 349.478 2.704 20 10 EFCDMP CN1CCOc2cc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)ccc21 ZINC001222602453 1311158566 /nfs/dbraw/zinc/15/85/66/1311158566.db2.gz QGCWHJQJAYFWAT-IBGZPJMESA-N 2 1 349.478 2.704 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c2ccccc2n1C ZINC001222620378 1311162443 /nfs/dbraw/zinc/16/24/43/1311162443.db2.gz PJFVQLSEULUUJE-WMLDXEAASA-N 2 1 341.455 2.539 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c2ccccc2n1C ZINC001222620378 1311162444 /nfs/dbraw/zinc/16/24/44/1311162444.db2.gz PJFVQLSEULUUJE-WMLDXEAASA-N 2 1 341.455 2.539 20 10 EFCDMP C[NH2+][C@@]12CC[C@@](NCc3cc(C[NH+](C)C)c(O)c(OC)c3)(C1)CCC2 ZINC001276861696 1311215963 /nfs/dbraw/zinc/21/59/63/1311215963.db2.gz SDLUUBKXZAERDA-VQTJNVASSA-N 2 1 347.503 2.617 20 10 EFCDMP C[NH+](C)/C=C/c1cc(N(CC[NH3+])c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001161883019 1311994453 /nfs/dbraw/zinc/99/44/53/1311994453.db2.gz XAFXENDCFDWJPR-VQHVLOKHSA-N 2 1 345.378 2.758 20 10 EFCDMP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(O)cc1O ZINC001231636387 1312536574 /nfs/dbraw/zinc/53/65/74/1312536574.db2.gz UHJPZGDNYPEIOC-MRXNPFEDSA-N 2 1 334.460 2.947 20 10 EFCDMP C[NH+]1CCC(C[NH+]2CCN(Cc3cccc(Cl)c3O)CC2)CC1 ZINC001231913673 1312586953 /nfs/dbraw/zinc/58/69/53/1312586953.db2.gz PCYVVDWKGOFQBG-UHFFFAOYSA-N 2 1 337.895 2.505 20 10 EFCDMP c1cc(N2CC[NH2+]CC2)ccc1CN[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246175579 1314593517 /nfs/dbraw/zinc/59/35/17/1314593517.db2.gz UGTPCXQAJQYTFC-IBGZPJMESA-N 2 1 342.531 2.593 20 10 EFCDMP c1cc(N2CC[NH2+]CC2)ccc1CN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246175579 1314593521 /nfs/dbraw/zinc/59/35/21/1314593521.db2.gz UGTPCXQAJQYTFC-IBGZPJMESA-N 2 1 342.531 2.593 20 10 EFCDMP C[C@@H]1C[C@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246997990 1314727370 /nfs/dbraw/zinc/72/73/70/1314727370.db2.gz WUMJYLAAWVXAKT-UKRRQHHQSA-N 2 1 343.393 2.848 20 10 EFCDMP CC(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c(O)c1 ZINC001276815078 1315437101 /nfs/dbraw/zinc/43/71/01/1315437101.db2.gz OYIUJWLUHNGVGB-KDURUIRLSA-N 2 1 331.504 2.726 20 10 EFCDMP CC(C)OC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001253997204 1315663659 /nfs/dbraw/zinc/66/36/59/1315663659.db2.gz KTANPISAAKWSOL-UHFFFAOYSA-N 2 1 349.494 2.967 20 10 EFCDMP Oc1ccccc1C[NH+]1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC001255619087 1315848891 /nfs/dbraw/zinc/84/88/91/1315848891.db2.gz BZERSUWGHUHLAW-UHFFFAOYSA-N 2 1 346.471 2.632 20 10 EFCDMP C[C@@H](Cc1ccccn1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001256404023 1315935651 /nfs/dbraw/zinc/93/56/51/1315935651.db2.gz DDEVXWCWXVTORD-INIZCTEOSA-N 2 1 325.456 2.972 20 10 EFCDMP CN(C)c1ccc(C[N@@H+](C)C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001256696646 1315983716 /nfs/dbraw/zinc/98/37/16/1315983716.db2.gz JWMLRKJPMXPOCS-UHFFFAOYSA-N 2 1 331.504 2.828 20 10 EFCDMP Oc1cc2c(cc1O)C[N@H+](C1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC001256862268 1316001092 /nfs/dbraw/zinc/00/10/92/1316001092.db2.gz LNWRQZVTKROZOV-UHFFFAOYSA-N 2 1 339.439 2.910 20 10 EFCDMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001257042155 1316024383 /nfs/dbraw/zinc/02/43/83/1316024383.db2.gz ZDTRQGJMKKWSQZ-CRAIPNDOSA-N 2 1 346.471 2.678 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)CC(C)(C)C3)cc2F)CC1 ZINC001261256298 1316398879 /nfs/dbraw/zinc/39/88/79/1316398879.db2.gz BDOZMPJMXUUOIX-QGZVFWFLSA-N 2 1 349.494 2.560 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)CC(C)(C)C3)cc2F)CC1 ZINC001261256298 1316398882 /nfs/dbraw/zinc/39/88/82/1316398882.db2.gz BDOZMPJMXUUOIX-QGZVFWFLSA-N 2 1 349.494 2.560 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccccc3)cc2F)CC1 ZINC001318629642 1328656816 /nfs/dbraw/zinc/65/68/16/1328656816.db2.gz IMVOAIIOFDIPIX-UHFFFAOYSA-N 2 1 327.447 2.910 20 10 EFCDMP COC1CCC([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001319713202 1328961101 /nfs/dbraw/zinc/96/11/01/1328961101.db2.gz UFEFAZCOFXMFCH-UHFFFAOYSA-N 2 1 349.494 2.967 20 10 EFCDMP COC1CCC([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001319713202 1328961105 /nfs/dbraw/zinc/96/11/05/1328961105.db2.gz UFEFAZCOFXMFCH-UHFFFAOYSA-N 2 1 349.494 2.967 20 10 EFCDMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(C)C ZINC001319850026 1329013653 /nfs/dbraw/zinc/01/36/53/1329013653.db2.gz BDUYODLPLNIVEA-NIKGAXFTSA-N 2 1 349.494 2.727 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)cc2F)CC1 ZINC001319947784 1329042328 /nfs/dbraw/zinc/04/23/28/1329042328.db2.gz DMXSKKFSNYPLJZ-XLIONFOSSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)cc2F)CC1 ZINC001319947784 1329042332 /nfs/dbraw/zinc/04/23/32/1329042332.db2.gz DMXSKKFSNYPLJZ-XLIONFOSSA-N 2 1 347.478 2.578 20 10 EFCDMP C[N@H+](CCc1nccs1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320508065 1329149005 /nfs/dbraw/zinc/14/90/05/1329149005.db2.gz WZCYDECWCJDINL-UHFFFAOYSA-N 2 1 348.491 2.709 20 10 EFCDMP C[N@@H+](CCc1nccs1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320508065 1329149012 /nfs/dbraw/zinc/14/90/12/1329149012.db2.gz WZCYDECWCJDINL-UHFFFAOYSA-N 2 1 348.491 2.709 20 10 EFCDMP CC(C)CO[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320522099 1329151772 /nfs/dbraw/zinc/15/17/72/1329151772.db2.gz FPGQOOIXULWDLR-SFHVURJKSA-N 2 1 349.494 2.824 20 10 EFCDMP CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320522099 1329151777 /nfs/dbraw/zinc/15/17/77/1329151777.db2.gz FPGQOOIXULWDLR-SFHVURJKSA-N 2 1 349.494 2.824 20 10 EFCDMP C[C@@H](CO)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CCC1 ZINC001323764871 1329569135 /nfs/dbraw/zinc/56/91/35/1329569135.db2.gz WXHRAIDHZDTFNP-INIZCTEOSA-N 2 1 349.494 2.560 20 10 EFCDMP C[C@@H](CO)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CCC1 ZINC001323764871 1329569137 /nfs/dbraw/zinc/56/91/37/1329569137.db2.gz WXHRAIDHZDTFNP-INIZCTEOSA-N 2 1 349.494 2.560 20 10 EFCDMP CCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCOCC1 ZINC001324526322 1329636205 /nfs/dbraw/zinc/63/62/05/1329636205.db2.gz PHTYVACALAFVRR-UHFFFAOYSA-N 2 1 335.467 2.626 20 10 EFCDMP Cc1ncsc1CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324663901 1329649334 /nfs/dbraw/zinc/64/93/34/1329649334.db2.gz WYMFDKIAOIAAFN-UHFFFAOYSA-N 2 1 348.491 2.675 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)OCC3CC3)cc2F)CC1 ZINC001325289569 1329678515 /nfs/dbraw/zinc/67/85/15/1329678515.db2.gz JGSGXWPTDNWWDO-UHFFFAOYSA-N 2 1 349.494 2.872 20 10 EFCDMP C[N@H+](Cc1ccc(O)cc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325733405 1329709412 /nfs/dbraw/zinc/70/94/12/1329709412.db2.gz JPMVCKCSWWIJSO-UHFFFAOYSA-N 2 1 343.446 2.915 20 10 EFCDMP C[N@@H+](Cc1ccc(O)cc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325733405 1329709415 /nfs/dbraw/zinc/70/94/15/1329709415.db2.gz JPMVCKCSWWIJSO-UHFFFAOYSA-N 2 1 343.446 2.915 20 10 EFCDMP CCOC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001326431543 1329756084 /nfs/dbraw/zinc/75/60/84/1329756084.db2.gz TVLVNALXBXXPAS-UHFFFAOYSA-N 2 1 335.467 2.578 20 10 EFCDMP CC1CCC(O)(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001327860685 1330523038 /nfs/dbraw/zinc/52/30/38/1330523038.db2.gz XCIZCDGIXVAPLJ-UHFFFAOYSA-N 2 1 349.494 2.608 20 10 EFCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H]1CC[NH3+] ZINC001328644445 1330611475 /nfs/dbraw/zinc/61/14/75/1330611475.db2.gz ZDRKVGHUTNWBHN-VQIMIIECSA-N 3 1 348.510 2.527 20 10 EFCDMP C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1CC[NH3+] ZINC001328644445 1330611479 /nfs/dbraw/zinc/61/14/79/1330611479.db2.gz ZDRKVGHUTNWBHN-VQIMIIECSA-N 3 1 348.510 2.527 20 10 EFCDMP CO[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001328654822 1330612484 /nfs/dbraw/zinc/61/24/84/1330612484.db2.gz FIGWGSJMEDSOBR-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP CO[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001328654822 1330612485 /nfs/dbraw/zinc/61/24/85/1330612485.db2.gz FIGWGSJMEDSOBR-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP Cc1ccc(O)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001329066848 1330662449 /nfs/dbraw/zinc/66/24/49/1330662449.db2.gz LGXHNKQWSUOBLT-UHFFFAOYSA-N 2 1 343.446 2.881 20 10 EFCDMP CCC(O)(CC)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329537153 1330716733 /nfs/dbraw/zinc/71/67/33/1330716733.db2.gz IUGZXCRTYMKJFX-UHFFFAOYSA-N 2 1 337.483 2.560 20 10 EFCDMP CCC(O)(CC)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329537153 1330716737 /nfs/dbraw/zinc/71/67/37/1330716737.db2.gz IUGZXCRTYMKJFX-UHFFFAOYSA-N 2 1 337.483 2.560 20 10 EFCDMP CCC[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)OCC ZINC001331519436 1330847149 /nfs/dbraw/zinc/84/71/49/1330847149.db2.gz JPOPLGOHKDXGEG-QGZVFWFLSA-N 2 1 337.483 2.872 20 10 EFCDMP Cc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)ccn1 ZINC001344073853 1332401092 /nfs/dbraw/zinc/40/10/92/1332401092.db2.gz CHYNRRYCSFIPDW-UHFFFAOYSA-N 2 1 328.435 2.571 20 10 EFCDMP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001344569669 1332463935 /nfs/dbraw/zinc/46/39/35/1332463935.db2.gz RASJRUDGMNSVAT-CALCHBBNSA-N 2 1 335.467 2.623 20 10 EFCDMP Cc1cc(C)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cn1 ZINC001347793507 1332773831 /nfs/dbraw/zinc/77/38/31/1332773831.db2.gz LCZQGULEOYWKSI-UHFFFAOYSA-N 2 1 342.462 2.879 20 10 EFCDMP CCc1cccc(C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)c1O ZINC000848917207 1334985313 /nfs/dbraw/zinc/98/53/13/1334985313.db2.gz CZIKWDXMLOCJEP-UHFFFAOYSA-N 2 1 345.531 2.947 20 10 EFCDMP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c1OC ZINC000892086750 715246029 /nfs/dbraw/zinc/24/60/29/715246029.db2.gz VOACTNVZGRFQFC-INIZCTEOSA-N 2 1 334.460 2.860 20 10 EFCDMP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c1OC ZINC000892086750 715246030 /nfs/dbraw/zinc/24/60/30/715246030.db2.gz VOACTNVZGRFQFC-INIZCTEOSA-N 2 1 334.460 2.860 20 10 EFCDMP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c1OC ZINC000892086771 715246106 /nfs/dbraw/zinc/24/61/06/715246106.db2.gz VOACTNVZGRFQFC-MRXNPFEDSA-N 2 1 334.460 2.860 20 10 EFCDMP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c1OC ZINC000892086771 715246108 /nfs/dbraw/zinc/24/61/08/715246108.db2.gz VOACTNVZGRFQFC-MRXNPFEDSA-N 2 1 334.460 2.860 20 10 EFCDMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(O)c1OC ZINC000892237469 715400670 /nfs/dbraw/zinc/40/06/70/715400670.db2.gz ZQLSSKNMMMUEEF-PBHICJAKSA-N 2 1 346.471 2.858 20 10 EFCDMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(O)c1OC ZINC000892237469 715400673 /nfs/dbraw/zinc/40/06/73/715400673.db2.gz ZQLSSKNMMMUEEF-PBHICJAKSA-N 2 1 346.471 2.858 20 10 EFCDMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(O)c1OC ZINC000892237469 715400676 /nfs/dbraw/zinc/40/06/76/715400676.db2.gz ZQLSSKNMMMUEEF-PBHICJAKSA-N 2 1 346.471 2.858 20 10 EFCDMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(O)c1OC ZINC000894230318 721343204 /nfs/dbraw/zinc/34/32/04/721343204.db2.gz DDVXMPGOMFFABN-UHFFFAOYSA-N 2 1 334.460 2.717 20 10 EFCDMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c(O)c1OC ZINC000895508081 724163934 /nfs/dbraw/zinc/16/39/34/724163934.db2.gz DXDVRVLZLVFTIK-HOCLYGCPSA-N 2 1 336.476 2.962 20 10 EFCDMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC001580185315 1090805448 /nfs/dbraw/zinc/80/54/48/1090805448.db2.gz WRPLCWPMVXOXPM-DOTOQJQBSA-N 2 1 342.842 2.903 20 10 EFCDMP COc1cc(Br)cc(C[NH2+][C@H](C[NH3+])C2CCCC2)c1O ZINC000841088503 1102956639 /nfs/dbraw/zinc/95/66/39/1102956639.db2.gz YKCCCAKWXVSZII-CYBMUJFWSA-N 2 1 343.265 2.770 20 10 EFCDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCCO1 ZINC000841100941 1102976158 /nfs/dbraw/zinc/97/61/58/1102976158.db2.gz PLQFWSIXFZNOON-IBGZPJMESA-N 2 1 342.439 2.521 20 10 EFCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCCO1 ZINC000841100941 1102976164 /nfs/dbraw/zinc/97/61/64/1102976164.db2.gz PLQFWSIXFZNOON-IBGZPJMESA-N 2 1 342.439 2.521 20 10 EFCDMP Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904420099 1107931779 /nfs/dbraw/zinc/93/17/79/1107931779.db2.gz AYAUCBHVUJIEGG-WCQYABFASA-N 2 1 325.250 2.504 20 10 EFCDMP Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904420099 1107931783 /nfs/dbraw/zinc/93/17/83/1107931783.db2.gz AYAUCBHVUJIEGG-WCQYABFASA-N 2 1 325.250 2.504 20 10 EFCDMP CN(C)c1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000898450135 1108944302 /nfs/dbraw/zinc/94/43/02/1108944302.db2.gz OGYWDEGGMCDWRT-HOJAQTOUSA-N 2 1 330.520 2.572 20 10 EFCDMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000898450564 1108944549 /nfs/dbraw/zinc/94/45/49/1108944549.db2.gz RYWNBHHMYGVWML-LSTHTHJFSA-N 2 1 332.536 2.675 20 10 EFCDMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@H](C)C1 ZINC000898450564 1108944557 /nfs/dbraw/zinc/94/45/57/1108944557.db2.gz RYWNBHHMYGVWML-LSTHTHJFSA-N 2 1 332.536 2.675 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@H](C)C1 ZINC000898450564 1108944564 /nfs/dbraw/zinc/94/45/64/1108944564.db2.gz RYWNBHHMYGVWML-LSTHTHJFSA-N 2 1 332.536 2.675 20 10 EFCDMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000163103160 239103208 /nfs/dbraw/zinc/10/32/08/239103208.db2.gz OAAGBFOXEXUPTO-GOSISDBHSA-N 2 1 329.444 2.968 20 10 EFCDMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000163103160 239103213 /nfs/dbraw/zinc/10/32/13/239103213.db2.gz OAAGBFOXEXUPTO-GOSISDBHSA-N 2 1 329.444 2.968 20 10 EFCDMP Oc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000192929642 240074686 /nfs/dbraw/zinc/07/46/86/240074686.db2.gz SVDFKWPGMJGPEI-INIZCTEOSA-N 2 1 340.423 2.733 20 10 EFCDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N2CCOCC2)c(F)c1 ZINC000295908691 241067096 /nfs/dbraw/zinc/06/70/96/241067096.db2.gz JBDZSUCYZHQNTC-MIGBEJBISA-N 2 1 347.478 2.938 20 10 EFCDMP Oc1cccc2c1[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000296490629 241087971 /nfs/dbraw/zinc/08/79/71/241087971.db2.gz POHIGHPVPFTFBH-RTBURBONSA-N 2 1 338.451 2.736 20 10 EFCDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000369551244 242424226 /nfs/dbraw/zinc/42/42/26/242424226.db2.gz SAAXEMPYANMOFQ-GOSISDBHSA-N 2 1 339.483 2.757 20 10 EFCDMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000124374948 473238840 /nfs/dbraw/zinc/23/88/40/473238840.db2.gz NEPWHFCERCNXED-KRWDZBQOSA-N 2 1 332.536 2.677 20 10 EFCDMP C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000120052630 472622494 /nfs/dbraw/zinc/62/24/94/472622494.db2.gz MABZQGGHFOZMLO-OAHLLOKOSA-N 2 1 337.895 2.648 20 10 EFCDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC000185367168 473406937 /nfs/dbraw/zinc/40/69/37/473406937.db2.gz FUNMBUURXNJYPE-QGZVFWFLSA-N 2 1 345.531 2.949 20 10 EFCDMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000151116114 473410253 /nfs/dbraw/zinc/41/02/53/473410253.db2.gz QNLOAMGHISMZDA-QGZVFWFLSA-N 2 1 331.504 2.986 20 10 EFCDMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000151116168 473411036 /nfs/dbraw/zinc/41/10/36/473411036.db2.gz QNLOAMGHISMZDA-KRWDZBQOSA-N 2 1 331.504 2.986 20 10 EFCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000115628914 473589002 /nfs/dbraw/zinc/58/90/02/473589002.db2.gz MBACJSZXEYGOCQ-YLJYHZDGSA-N 2 1 333.520 2.979 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2nccn21 ZINC000179616994 473698363 /nfs/dbraw/zinc/69/83/63/473698363.db2.gz ACWDVWBTEPXZEX-UHFFFAOYSA-N 2 1 336.439 2.803 20 10 EFCDMP Cc1cccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000179909564 473753235 /nfs/dbraw/zinc/75/32/35/473753235.db2.gz VWWQWTHQDYXKNR-HDICACEKSA-N 2 1 331.504 2.691 20 10 EFCDMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000282180250 473972630 /nfs/dbraw/zinc/97/26/30/473972630.db2.gz FPMWFBNXKIWOTJ-IBGZPJMESA-N 2 1 332.536 2.819 20 10 EFCDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)ccc1O ZINC000282507622 474090967 /nfs/dbraw/zinc/09/09/67/474090967.db2.gz YOXMATNNFPABKY-ZDUSSCGKSA-N 2 1 325.884 2.722 20 10 EFCDMP Cc1cccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1O ZINC000190310288 474575992 /nfs/dbraw/zinc/57/59/92/474575992.db2.gz HDXAGJTWFLHYGC-OAQYLSRUSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1cccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1O ZINC000190310288 474575998 /nfs/dbraw/zinc/57/59/98/474575998.db2.gz HDXAGJTWFLHYGC-OAQYLSRUSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1cccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000190310288 474576018 /nfs/dbraw/zinc/57/60/18/474576018.db2.gz HDXAGJTWFLHYGC-OAQYLSRUSA-N 2 1 340.467 2.769 20 10 EFCDMP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278534993 474687153 /nfs/dbraw/zinc/68/71/53/474687153.db2.gz VYVRPTGRAVPBIO-CYBMUJFWSA-N 2 1 339.436 2.909 20 10 EFCDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887320 475051201 /nfs/dbraw/zinc/05/12/01/475051201.db2.gz ZCMWSWIDAOITMO-LLGFUMIMSA-N 2 1 345.531 2.714 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377619552 476478029 /nfs/dbraw/zinc/47/80/29/476478029.db2.gz DCSAXZIPKOZOJK-YOFSQIOKSA-N 2 1 329.488 2.580 20 10 EFCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377619552 476478034 /nfs/dbraw/zinc/47/80/34/476478034.db2.gz DCSAXZIPKOZOJK-YOFSQIOKSA-N 2 1 329.488 2.580 20 10 EFCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377619552 476478039 /nfs/dbraw/zinc/47/80/39/476478039.db2.gz DCSAXZIPKOZOJK-YOFSQIOKSA-N 2 1 329.488 2.580 20 10 EFCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423090475 476923868 /nfs/dbraw/zinc/92/38/68/476923868.db2.gz XRUGXYUMEBCSPE-KURKYZTESA-N 2 1 327.472 2.733 20 10 EFCDMP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1O ZINC000367616617 535808975 /nfs/dbraw/zinc/80/89/75/535808975.db2.gz LQSUHNKRYSRYSJ-MAUKXSAKSA-N 2 1 335.467 2.741 20 10 EFCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754735840 575480245 /nfs/dbraw/zinc/48/02/45/575480245.db2.gz DLTKWVLVQYGKLX-KRWDZBQOSA-N 2 1 336.476 2.642 20 10 EFCDMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2c1c(F)ccc2O ZINC000756565122 575763285 /nfs/dbraw/zinc/76/32/85/575763285.db2.gz VONBHCCLYSBNJI-YCPHGPKFSA-N 2 1 336.451 2.906 20 10 EFCDMP COc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000756572649 575764469 /nfs/dbraw/zinc/76/44/69/575764469.db2.gz HHUNFOKVOBCANN-PBHICJAKSA-N 2 1 334.460 2.695 20 10 EFCDMP COc1cc(Cl)cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000763661164 576384922 /nfs/dbraw/zinc/38/49/22/576384922.db2.gz NNIHOEUNZZSSMX-CYBMUJFWSA-N 2 1 342.867 2.645 20 10 EFCDMP COc1cc(Cl)cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1O ZINC000763661164 576384926 /nfs/dbraw/zinc/38/49/26/576384926.db2.gz NNIHOEUNZZSSMX-CYBMUJFWSA-N 2 1 342.867 2.645 20 10 EFCDMP COc1cc(O)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC000768448668 577274853 /nfs/dbraw/zinc/27/48/53/577274853.db2.gz VDNNRUOUDGXCPR-UHFFFAOYSA-N 2 1 336.476 2.962 20 10 EFCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)c1 ZINC000769514384 577369022 /nfs/dbraw/zinc/36/90/22/577369022.db2.gz KIWDEONYDWFLBZ-SFHVURJKSA-N 2 1 336.476 2.724 20 10 EFCDMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC[C@H]21 ZINC000770351133 577412322 /nfs/dbraw/zinc/41/23/22/577412322.db2.gz JHBVLFPWBAOACW-PKOBYXMFSA-N 2 1 347.478 2.578 20 10 EFCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC[C@H]21 ZINC000770351133 577412323 /nfs/dbraw/zinc/41/23/23/577412323.db2.gz JHBVLFPWBAOACW-PKOBYXMFSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)CC[C@H]21 ZINC000770351133 577412324 /nfs/dbraw/zinc/41/23/24/577412324.db2.gz JHBVLFPWBAOACW-PKOBYXMFSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)CC[C@H]21 ZINC000770351133 577412325 /nfs/dbraw/zinc/41/23/25/577412325.db2.gz JHBVLFPWBAOACW-PKOBYXMFSA-N 2 1 347.478 2.578 20 10 EFCDMP CCN(C)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000773823600 581466408 /nfs/dbraw/zinc/46/64/08/581466408.db2.gz UWLMHUKZQQIGCL-WIYYLYMNSA-N 2 1 344.547 2.601 20 10 EFCDMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1N(C)C ZINC000923393765 1261600264 /nfs/dbraw/zinc/60/02/64/1261600264.db2.gz XNAJVZWSNOJISK-MISYRCLQSA-N 2 1 331.504 2.922 20 10 EFCDMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921809890 1261770993 /nfs/dbraw/zinc/77/09/93/1261770993.db2.gz KIQOWAZQCFNLPO-UHFFFAOYSA-N 2 1 332.488 2.991 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](CO)c1ccccc1 ZINC000824696837 1278229504 /nfs/dbraw/zinc/22/95/04/1278229504.db2.gz UWKNCQOUXRRIGI-OAQYLSRUSA-N 2 1 339.483 2.604 20 10 EFCDMP Cc1ccc(O)c(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000733322184 1265168086 /nfs/dbraw/zinc/16/80/86/1265168086.db2.gz OPNOEAYBWBASNR-KRWDZBQOSA-N 2 1 345.512 2.840 20 10 EFCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000702554797 1271479418 /nfs/dbraw/zinc/47/94/18/1271479418.db2.gz XOEUWAPKJRTLFE-UTKZUKDTSA-N 2 1 340.467 2.988 20 10 EFCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000702554797 1271479424 /nfs/dbraw/zinc/47/94/24/1271479424.db2.gz XOEUWAPKJRTLFE-UTKZUKDTSA-N 2 1 340.467 2.988 20 10 EFCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000702566657 1271493816 /nfs/dbraw/zinc/49/38/16/1271493816.db2.gz MTAIQLHCVXGHQO-FOIQADDNSA-N 2 1 344.430 2.819 20 10 EFCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000702566657 1271493824 /nfs/dbraw/zinc/49/38/24/1271493824.db2.gz MTAIQLHCVXGHQO-FOIQADDNSA-N 2 1 344.430 2.819 20 10 EFCDMP CCOc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001169154213 1272715142 /nfs/dbraw/zinc/71/51/42/1272715142.db2.gz OHRZKLWXWLPUCL-REPLKXPHSA-N 2 1 329.488 2.833 20 10 EFCDMP CCOc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169154213 1272715150 /nfs/dbraw/zinc/71/51/50/1272715150.db2.gz OHRZKLWXWLPUCL-REPLKXPHSA-N 2 1 329.488 2.833 20 10 EFCDMP COc1ccc(N2CCC[N@@H+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000844221635 1278797216 /nfs/dbraw/zinc/79/72/16/1278797216.db2.gz IVNOJECZIXWCBZ-UHFFFAOYSA-N 2 1 331.504 2.987 20 10 EFCDMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000706871960 1275065009 /nfs/dbraw/zinc/06/50/09/1275065009.db2.gz TVUCETKPPIPLJS-LBPRGKRZSA-N 2 1 327.266 2.975 20 10 EFCDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000706871960 1275065016 /nfs/dbraw/zinc/06/50/16/1275065016.db2.gz TVUCETKPPIPLJS-LBPRGKRZSA-N 2 1 327.266 2.975 20 10 EFCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1c(O)ccc2ccncc21 ZINC000746644218 1275683053 /nfs/dbraw/zinc/68/30/53/1275683053.db2.gz ASNXLNRPJWASJD-BPAFIMBUSA-N 2 1 341.455 2.624 20 10 EFCDMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000817888798 1276347584 /nfs/dbraw/zinc/34/75/84/1276347584.db2.gz OSCXYXLKCMMQGO-OALUTQOASA-N 2 1 341.430 2.897 20 10 EFCDMP C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1c[nH+]ccc1N ZINC000817888402 1276347985 /nfs/dbraw/zinc/34/79/85/1276347985.db2.gz LDZNKRLGSUIFTP-AWEZNQCLSA-N 2 1 328.485 2.898 20 10 EFCDMP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000817899344 1276366754 /nfs/dbraw/zinc/36/67/54/1276366754.db2.gz LGTFGNCGIQXQDH-KEYYUXOJSA-N 2 1 339.430 2.987 20 10 EFCDMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817936302 1276382149 /nfs/dbraw/zinc/38/21/49/1276382149.db2.gz NJUZTHHANNIZSM-OAHLLOKOSA-N 2 1 335.467 2.975 20 10 EFCDMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817946340 1276390782 /nfs/dbraw/zinc/39/07/82/1276390782.db2.gz WSXZGYCIOFWUBM-LSDHHAIUSA-N 2 1 337.895 2.827 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000817949486 1276396636 /nfs/dbraw/zinc/39/66/36/1276396636.db2.gz QNDODSPSVRATNG-CYBMUJFWSA-N 2 1 328.412 2.531 20 10 EFCDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817983222 1276420721 /nfs/dbraw/zinc/42/07/21/1276420721.db2.gz ZRRHGWVHSIOOGV-RDTXWAMCSA-N 2 1 335.467 2.830 20 10 EFCDMP COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)c3c[nH+]ccc3N)C2)cc1 ZINC000818614809 1276539142 /nfs/dbraw/zinc/53/91/42/1276539142.db2.gz GPSKRVHLWAYBGU-GJZGRUSLSA-N 2 1 326.444 2.680 20 10 EFCDMP COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)c3c[nH+]ccc3N)C2)cc1 ZINC000818614808 1276539170 /nfs/dbraw/zinc/53/91/70/1276539170.db2.gz GPSKRVHLWAYBGU-CABCVRRESA-N 2 1 326.444 2.680 20 10 EFCDMP C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000790934316 1277853436 /nfs/dbraw/zinc/85/34/36/1277853436.db2.gz KHKARUHHZGHOSL-YLJYHZDGSA-N 2 1 331.504 2.564 20 10 EFCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000844902493 1279323624 /nfs/dbraw/zinc/32/36/24/1279323624.db2.gz NZGWKQMLZFJZKP-ZSZQSSIHSA-N 2 1 334.460 2.509 20 10 EFCDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809767503 1282431156 /nfs/dbraw/zinc/43/11/56/1282431156.db2.gz MZORJKSBCHSRTH-PKOBYXMFSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809767503 1282431161 /nfs/dbraw/zinc/43/11/61/1282431161.db2.gz MZORJKSBCHSRTH-PKOBYXMFSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809767503 1282431167 /nfs/dbraw/zinc/43/11/67/1282431167.db2.gz MZORJKSBCHSRTH-PKOBYXMFSA-N 2 1 347.478 2.578 20 10 EFCDMP CCOc1ccc(O)c(CN(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000809738336 1282437441 /nfs/dbraw/zinc/43/74/41/1282437441.db2.gz UWDGYALJDBEAPS-GOSISDBHSA-N 2 1 349.519 2.639 20 10 EFCDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(Cl)ccc1O ZINC000809737006 1282437604 /nfs/dbraw/zinc/43/76/04/1282437604.db2.gz BCVXCHNRUILWNM-QGZVFWFLSA-N 2 1 339.911 2.894 20 10 EFCDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c(O)cccc1Cl ZINC000809738573 1282437850 /nfs/dbraw/zinc/43/78/50/1282437850.db2.gz ZLCADLINNLQIPZ-HNNXBMFYSA-N 2 1 339.911 2.894 20 10 EFCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809757604 1282458009 /nfs/dbraw/zinc/45/80/09/1282458009.db2.gz UQBRKHIQLOUNQN-UHFFFAOYSA-N 2 1 337.483 2.826 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3cccnc3)C3CC3)cc2)CC1 ZINC000809764804 1282464185 /nfs/dbraw/zinc/46/41/85/1282464185.db2.gz ZQWAHPZXXMCXQG-UHFFFAOYSA-N 2 1 336.483 2.998 20 10 EFCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH+](Cc3ccccc3O)CC1)C2 ZINC001172114747 1286025175 /nfs/dbraw/zinc/02/51/75/1286025175.db2.gz PPGVATDOTAPHBS-OWZKRDHZSA-N 2 1 343.515 2.962 20 10 EFCDMP C[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000813787522 1286116759 /nfs/dbraw/zinc/11/67/59/1286116759.db2.gz ZMNXZURRXVMJCN-HNNXBMFYSA-N 2 1 334.464 2.872 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@H](C4CCC4)C3)cc2)CC1 ZINC000814178593 1286361112 /nfs/dbraw/zinc/36/11/12/1286361112.db2.gz WJBPRKJCILUOBY-HXUWFJFHSA-N 2 1 343.515 2.687 20 10 EFCDMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)cc1Br ZINC001206209977 1286738689 /nfs/dbraw/zinc/73/86/89/1286738689.db2.gz JEGXLWWLNNIJKV-QWHCGFSZSA-N 2 1 331.229 2.724 20 10 EFCDMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)cc1Br ZINC001206209977 1286738694 /nfs/dbraw/zinc/73/86/94/1286738694.db2.gz JEGXLWWLNNIJKV-QWHCGFSZSA-N 2 1 331.229 2.724 20 10 EFCDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135979024 1288702954 /nfs/dbraw/zinc/70/29/54/1288702954.db2.gz AXIQTWWPPFBFAL-IAGOWNOFSA-N 2 1 349.519 2.718 20 10 EFCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001206327751 1288776678 /nfs/dbraw/zinc/77/66/78/1288776678.db2.gz XAPHZKVAHKZCFG-OAHLLOKOSA-N 2 1 343.265 2.811 20 10 EFCDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cn1cccn1 ZINC000873013718 1289518987 /nfs/dbraw/zinc/51/89/87/1289518987.db2.gz GJBDVLFXHSYYCP-RTBURBONSA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cn1cccn1 ZINC000873013718 1289518994 /nfs/dbraw/zinc/51/89/94/1289518994.db2.gz GJBDVLFXHSYYCP-RTBURBONSA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cn1cccn1 ZINC000873061276 1289546717 /nfs/dbraw/zinc/54/67/17/1289546717.db2.gz RAELXANEGIQLPQ-QAPCUYQASA-N 2 1 328.460 2.512 20 10 EFCDMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1Cn1cccn1 ZINC000873131246 1289586597 /nfs/dbraw/zinc/58/65/97/1289586597.db2.gz QCPAFBAONCHAOO-QGZVFWFLSA-N 2 1 342.487 2.762 20 10 EFCDMP CN(C)c1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c(O)c1 ZINC001232840196 1312793441 /nfs/dbraw/zinc/79/34/41/1312793441.db2.gz OWYVVZITGZPOOO-UHFFFAOYSA-N 2 1 347.503 2.533 20 10 EFCDMP CN(C)c1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c(O)c1 ZINC001232840196 1312793444 /nfs/dbraw/zinc/79/34/44/1312793444.db2.gz OWYVVZITGZPOOO-UHFFFAOYSA-N 2 1 347.503 2.533 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876757995 1291009783 /nfs/dbraw/zinc/00/97/83/1291009783.db2.gz HDALQXVNHGRJPP-PXNSSMCTSA-N 2 1 345.531 2.952 20 10 EFCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876757995 1291009791 /nfs/dbraw/zinc/00/97/91/1291009791.db2.gz HDALQXVNHGRJPP-PXNSSMCTSA-N 2 1 345.531 2.952 20 10 EFCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876757995 1291009801 /nfs/dbraw/zinc/00/98/01/1291009801.db2.gz HDALQXVNHGRJPP-PXNSSMCTSA-N 2 1 345.531 2.952 20 10 EFCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876916720 1291070722 /nfs/dbraw/zinc/07/07/22/1291070722.db2.gz YXQWTEFRMZSJAM-MRXNPFEDSA-N 2 1 342.487 2.579 20 10 EFCDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877552076 1291272760 /nfs/dbraw/zinc/27/27/60/1291272760.db2.gz PTFNEOHMHUJFBS-NRFANRHFSA-N 2 1 343.515 2.565 20 10 EFCDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877552076 1291272763 /nfs/dbraw/zinc/27/27/63/1291272763.db2.gz PTFNEOHMHUJFBS-NRFANRHFSA-N 2 1 343.515 2.565 20 10 EFCDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877552076 1291272771 /nfs/dbraw/zinc/27/27/71/1291272771.db2.gz PTFNEOHMHUJFBS-NRFANRHFSA-N 2 1 343.515 2.565 20 10 EFCDMP CCOc1cccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c1O ZINC001203617154 1312972482 /nfs/dbraw/zinc/97/24/82/1312972482.db2.gz KDRJSEZHHHTDBM-UHFFFAOYSA-N 2 1 348.487 2.866 20 10 EFCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(OC(F)(F)F)c3O)C2)C1 ZINC001233768155 1312987691 /nfs/dbraw/zinc/98/76/91/1312987691.db2.gz KZUQFKWZXFFDOY-HNNXBMFYSA-N 2 1 330.350 2.818 20 10 EFCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(OC(F)(F)F)c3O)C2)C1 ZINC001233768155 1312987695 /nfs/dbraw/zinc/98/76/95/1312987695.db2.gz KZUQFKWZXFFDOY-HNNXBMFYSA-N 2 1 330.350 2.818 20 10 EFCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(OC(F)(F)F)c3O)C2)C1 ZINC001233768155 1312987697 /nfs/dbraw/zinc/98/76/97/1312987697.db2.gz KZUQFKWZXFFDOY-HNNXBMFYSA-N 2 1 330.350 2.818 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc(O)c1 ZINC000775634674 1293794338 /nfs/dbraw/zinc/79/43/38/1293794338.db2.gz TXQVPGTXNCLIDU-UHFFFAOYSA-N 2 1 325.456 2.776 20 10 EFCDMP C[N@@H+](CCC1CCOCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775713381 1294214594 /nfs/dbraw/zinc/21/45/94/1294214594.db2.gz LPQAGMIKVGYDOA-UHFFFAOYSA-N 2 1 331.504 2.687 20 10 EFCDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716690 1294232710 /nfs/dbraw/zinc/23/27/10/1294232710.db2.gz LBXJJCTXSKXGEN-FQEVSTJZSA-N 3 1 344.547 2.745 20 10 EFCDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716690 1294232717 /nfs/dbraw/zinc/23/27/17/1294232717.db2.gz LBXJJCTXSKXGEN-FQEVSTJZSA-N 3 1 344.547 2.745 20 10 EFCDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716690 1294232720 /nfs/dbraw/zinc/23/27/20/1294232720.db2.gz LBXJJCTXSKXGEN-FQEVSTJZSA-N 3 1 344.547 2.745 20 10 EFCDMP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716690 1294232725 /nfs/dbraw/zinc/23/27/25/1294232725.db2.gz LBXJJCTXSKXGEN-FQEVSTJZSA-N 2 1 344.547 2.745 20 10 EFCDMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775716690 1294232730 /nfs/dbraw/zinc/23/27/30/1294232730.db2.gz LBXJJCTXSKXGEN-FQEVSTJZSA-N 2 1 344.547 2.745 20 10 EFCDMP Oc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001204273614 1313113492 /nfs/dbraw/zinc/11/34/92/1313113492.db2.gz SCTHFJHYNARRAZ-HUUCEWRRSA-N 2 1 330.453 2.723 20 10 EFCDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204327429 1313123136 /nfs/dbraw/zinc/12/31/36/1313123136.db2.gz TVALEOPTAAILAL-UHFFFAOYSA-N 2 1 347.503 2.604 20 10 EFCDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204327429 1313123140 /nfs/dbraw/zinc/12/31/40/1313123140.db2.gz TVALEOPTAAILAL-UHFFFAOYSA-N 2 1 347.503 2.604 20 10 EFCDMP Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300403722 1295396150 /nfs/dbraw/zinc/39/61/50/1295396150.db2.gz ACIPFSYDNDRHIB-KGLIPLIRSA-N 2 1 325.250 2.871 20 10 EFCDMP OCC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000305300261 1296078915 /nfs/dbraw/zinc/07/89/15/1296078915.db2.gz HKRVFBYVUVYWTR-TZIWHRDSSA-N 2 1 343.515 2.612 20 10 EFCDMP c1c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc2c3c1CCCN3CCC2 ZINC001234992385 1313219105 /nfs/dbraw/zinc/21/91/05/1313219105.db2.gz JAKLNVGWZICJMX-OAQYLSRUSA-N 2 1 325.500 2.961 20 10 EFCDMP c1c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc2c3c1CCCN3CCC2 ZINC001234992375 1313219139 /nfs/dbraw/zinc/21/91/39/1313219139.db2.gz JAKLNVGWZICJMX-NRFANRHFSA-N 2 1 325.500 2.961 20 10 EFCDMP Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234974806 1313215329 /nfs/dbraw/zinc/21/53/29/1313215329.db2.gz MVFNCACDQHDICU-YLJYHZDGSA-N 2 1 342.414 2.619 20 10 EFCDMP CC(C)(C)c1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001235019488 1313225340 /nfs/dbraw/zinc/22/53/40/1313225340.db2.gz BJJWGCJBKPBEMS-HXUWFJFHSA-N 2 1 332.488 2.892 20 10 EFCDMP CC(C)(C)c1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001235019488 1313225343 /nfs/dbraw/zinc/22/53/43/1313225343.db2.gz BJJWGCJBKPBEMS-HXUWFJFHSA-N 2 1 332.488 2.892 20 10 EFCDMP Cc1ccc2c(c1)C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)CC2 ZINC001205164983 1313244086 /nfs/dbraw/zinc/24/40/86/1313244086.db2.gz ZCYNRUIUIYTPHY-UHFFFAOYSA-N 2 1 337.467 2.669 20 10 EFCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cccc(C(C)(C)C)c1O ZINC001275802755 1296413320 /nfs/dbraw/zinc/41/33/20/1296413320.db2.gz NHSRJRAJKFQKOX-CALCHBBNSA-N 2 1 331.504 2.510 20 10 EFCDMP CN1CCOc2cc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)ccc21 ZINC001235158508 1313254657 /nfs/dbraw/zinc/25/46/57/1313254657.db2.gz KNJJNQNXZHHOGL-SFHVURJKSA-N 2 1 329.488 2.869 20 10 EFCDMP C[C@@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@@H]1C[NH3+] ZINC001205303364 1313267133 /nfs/dbraw/zinc/26/71/33/1313267133.db2.gz DAZNDWSHLIDHFH-PBHICJAKSA-N 2 1 329.488 2.508 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c2ccccc2n1C ZINC001205581540 1313316930 /nfs/dbraw/zinc/31/69/30/1313316930.db2.gz VHTPNMNQTKNZKL-LJQANCHMSA-N 2 1 347.434 2.618 20 10 EFCDMP C[C@H]1CC[N@@H+](Cc2cc(O)c(Br)cc2O)CC[C@H]1C[NH3+] ZINC001205651127 1313330937 /nfs/dbraw/zinc/33/09/37/1313330937.db2.gz AIWFVKOZDFLMHE-QWRGUYRKSA-N 2 1 343.265 2.667 20 10 EFCDMP COc1ccc2ccc(O)c(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)c2c1 ZINC001205788673 1313356406 /nfs/dbraw/zinc/35/64/06/1313356406.db2.gz PQBBYNURGSLISD-ZDUSSCGKSA-N 2 1 336.382 2.970 20 10 EFCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001205819382 1313361173 /nfs/dbraw/zinc/36/11/73/1313361173.db2.gz XLKXNWKXHSLGLM-PBHICJAKSA-N 2 1 329.488 2.650 20 10 EFCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001205819382 1313361175 /nfs/dbraw/zinc/36/11/75/1313361175.db2.gz XLKXNWKXHSLGLM-PBHICJAKSA-N 2 1 329.488 2.650 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c2ccccc2n1C ZINC001206012260 1313391433 /nfs/dbraw/zinc/39/14/33/1313391433.db2.gz JIKFFQJTGRBZML-LSDHHAIUSA-N 2 1 343.471 2.772 20 10 EFCDMP C[C@@H]1C[N@@H+](Cc2cc(O)c(Br)cc2O)CCC[C@@H]1C[NH3+] ZINC001206024569 1313393470 /nfs/dbraw/zinc/39/34/70/1313393470.db2.gz KIEMZKPDMNCMIX-GHMZBOCLSA-N 2 1 343.265 2.667 20 10 EFCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206197394 1313419703 /nfs/dbraw/zinc/41/97/03/1313419703.db2.gz IFOVUMCCGCGJBP-QWHCGFSZSA-N 2 1 331.229 2.724 20 10 EFCDMP Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206197394 1313419707 /nfs/dbraw/zinc/41/97/07/1313419707.db2.gz IFOVUMCCGCGJBP-QWHCGFSZSA-N 2 1 331.229 2.724 20 10 EFCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206197392 1313419878 /nfs/dbraw/zinc/41/98/78/1313419878.db2.gz IFOVUMCCGCGJBP-CHWSQXEVSA-N 2 1 331.229 2.724 20 10 EFCDMP Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206197392 1313419880 /nfs/dbraw/zinc/41/98/80/1313419880.db2.gz IFOVUMCCGCGJBP-CHWSQXEVSA-N 2 1 331.229 2.724 20 10 EFCDMP C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235961617 1313423777 /nfs/dbraw/zinc/42/37/77/1313423777.db2.gz HXEXMXALKNKQFO-VMPITWQZSA-N 2 1 337.467 2.947 20 10 EFCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001206311698 1313434387 /nfs/dbraw/zinc/43/43/87/1313434387.db2.gz SICUXXALDPZLBS-IBGZPJMESA-N 2 1 335.467 2.613 20 10 EFCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001206311699 1313434533 /nfs/dbraw/zinc/43/45/33/1313434533.db2.gz SICUXXALDPZLBS-LJQANCHMSA-N 2 1 335.467 2.613 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c2ccccc2n1C ZINC001206317218 1313434912 /nfs/dbraw/zinc/43/49/12/1313434912.db2.gz DBMCSFYFYDFIQR-FQEVSTJZSA-N 2 1 343.471 2.916 20 10 EFCDMP CN(C)c1ccc(C[N@@H+](C)Cc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001236189093 1313453802 /nfs/dbraw/zinc/45/38/02/1313453802.db2.gz JMFHYPQTNKWHHJ-UHFFFAOYSA-N 2 1 338.499 2.794 20 10 EFCDMP Oc1cccc(Br)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320206 1313468471 /nfs/dbraw/zinc/46/84/71/1313468471.db2.gz MENKUEKNSVFLOQ-TXEJJXNPSA-N 2 1 325.250 2.586 20 10 EFCDMP Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321251 1313469010 /nfs/dbraw/zinc/46/90/10/1313469010.db2.gz OWAFEYTZRSIWPJ-BETUJISGSA-N 2 1 339.277 2.895 20 10 EFCDMP Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321251 1313469011 /nfs/dbraw/zinc/46/90/11/1313469011.db2.gz OWAFEYTZRSIWPJ-BETUJISGSA-N 2 1 339.277 2.895 20 10 EFCDMP CCCCN(CCCC)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206535293 1313472610 /nfs/dbraw/zinc/47/26/10/1313472610.db2.gz IKEVISAPPXZIQJ-PXNSSMCTSA-N 2 1 349.519 2.550 20 10 EFCDMP CC[N@H+](Cc1cc(Br)cc(C)c1O)C[C@H]1CC[NH2+]C1 ZINC001236409165 1313476949 /nfs/dbraw/zinc/47/69/49/1313476949.db2.gz SJURGPZNUMZFRH-LBPRGKRZSA-N 2 1 327.266 2.895 20 10 EFCDMP CC[N@H+](Cc1cc(Br)c(C)cc1O)C[C@H]1CC[NH2+]C1 ZINC001236410610 1313477207 /nfs/dbraw/zinc/47/72/07/1313477207.db2.gz HXSQDVRSDQFIBJ-LBPRGKRZSA-N 2 1 327.266 2.895 20 10 EFCDMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236810457 1313533899 /nfs/dbraw/zinc/53/38/99/1313533899.db2.gz HGOASEBJPIJWNT-KRWDZBQOSA-N 2 1 348.487 2.784 20 10 EFCDMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236810457 1313533903 /nfs/dbraw/zinc/53/39/03/1313533903.db2.gz HGOASEBJPIJWNT-KRWDZBQOSA-N 2 1 348.487 2.784 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)C[C@]3(C)CO)c(F)c2)CC1 ZINC001236933131 1313556733 /nfs/dbraw/zinc/55/67/33/1313556733.db2.gz VGDUASVPIJYHNZ-HXUWFJFHSA-N 2 1 349.494 2.560 20 10 EFCDMP COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236935246 1313557456 /nfs/dbraw/zinc/55/74/56/1313557456.db2.gz FRVQLJSFIKVEPM-IBGZPJMESA-N 2 1 349.494 2.967 20 10 EFCDMP CCCO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236940912 1313558370 /nfs/dbraw/zinc/55/83/70/1313558370.db2.gz WJGYXADPELCZAT-GOSISDBHSA-N 2 1 335.467 2.578 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCNC4=CCCC[C@@H]43)cc2)CC1 ZINC001237224645 1313609411 /nfs/dbraw/zinc/60/94/11/1313609411.db2.gz HXXGUOGPBOUFNL-NRFANRHFSA-N 2 1 340.515 2.670 20 10 EFCDMP CC[NH+]1CCN(c2ccc(CN3CC[NH2+]C4=CCCC[C@@H]43)cc2)CC1 ZINC001237224645 1313609412 /nfs/dbraw/zinc/60/94/12/1313609412.db2.gz HXXGUOGPBOUFNL-NRFANRHFSA-N 2 1 340.515 2.670 20 10 EFCDMP c1c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001237405797 1313639063 /nfs/dbraw/zinc/63/90/63/1313639063.db2.gz RWCBVCUFEZVNJE-WOJBJXKFSA-N 2 1 325.500 2.959 20 10 EFCDMP CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(O)c1 ZINC000863646979 1302668104 /nfs/dbraw/zinc/66/81/04/1302668104.db2.gz UBSIKWSTQRWKDJ-JSGCOSHPSA-N 2 1 332.366 2.750 20 10 EFCDMP CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(O)c1 ZINC000863646979 1302668110 /nfs/dbraw/zinc/66/81/10/1302668110.db2.gz UBSIKWSTQRWKDJ-JSGCOSHPSA-N 2 1 332.366 2.750 20 10 EFCDMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC001276635298 1314144753 /nfs/dbraw/zinc/14/47/53/1314144753.db2.gz FDJSOXFTLWPICA-UHFFFAOYSA-N 2 1 343.515 2.831 20 10 EFCDMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC001276635622 1314144854 /nfs/dbraw/zinc/14/48/54/1314144854.db2.gz RARCXLZURFEPEX-NRFANRHFSA-N 2 1 343.515 2.831 20 10 EFCDMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC001276635622 1314144856 /nfs/dbraw/zinc/14/48/56/1314144856.db2.gz RARCXLZURFEPEX-NRFANRHFSA-N 2 1 343.515 2.831 20 10 EFCDMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC001276635622 1314144857 /nfs/dbraw/zinc/14/48/57/1314144857.db2.gz RARCXLZURFEPEX-NRFANRHFSA-N 2 1 343.515 2.831 20 10 EFCDMP Cc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cc1Cl ZINC001276372412 1314261979 /nfs/dbraw/zinc/26/19/79/1314261979.db2.gz SEIAPEWCZBCBFZ-IYBDPMFKSA-N 2 1 337.895 2.564 20 10 EFCDMP CCCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1O ZINC000801595744 1310573182 /nfs/dbraw/zinc/57/31/82/1310573182.db2.gz RMYSTVLYTCWKQK-UHFFFAOYSA-N 2 1 347.503 2.595 20 10 EFCDMP Oc1c(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc2c3c1CCCN3CCC2 ZINC001222347141 1311117188 /nfs/dbraw/zinc/11/71/88/1311117188.db2.gz XGXWWRGFFNQYQS-OAQYLSRUSA-N 2 1 341.499 2.809 20 10 EFCDMP Oc1c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc2c3c1CCCN3CCC2 ZINC001222347141 1311117191 /nfs/dbraw/zinc/11/71/91/1311117191.db2.gz XGXWWRGFFNQYQS-OAQYLSRUSA-N 2 1 341.499 2.809 20 10 EFCDMP Cc1cc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(C)n1-c1ccccc1 ZINC001222497335 1311141843 /nfs/dbraw/zinc/14/18/43/1311141843.db2.gz DJVCOHKQZRMNSH-SFTDATJTSA-N 2 1 338.499 2.620 20 10 EFCDMP Cc1cc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(C)n1-c1ccccc1 ZINC001222497335 1311141844 /nfs/dbraw/zinc/14/18/44/1311141844.db2.gz DJVCOHKQZRMNSH-SFTDATJTSA-N 2 1 338.499 2.620 20 10 EFCDMP Cc1cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(C)n1-c1ccccc1 ZINC001222497335 1311141846 /nfs/dbraw/zinc/14/18/46/1311141846.db2.gz DJVCOHKQZRMNSH-SFTDATJTSA-N 2 1 338.499 2.620 20 10 EFCDMP Cc1cc(F)cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1O ZINC001277519993 1312500453 /nfs/dbraw/zinc/50/04/53/1312500453.db2.gz UHZLTAUCIBUZHV-UXHICEINSA-N 2 1 349.494 2.926 20 10 EFCDMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232201869 1312647579 /nfs/dbraw/zinc/64/75/79/1312647579.db2.gz NZQSUMNEVVXCPE-UHFFFAOYSA-N 2 1 339.911 2.950 20 10 EFCDMP CCCC[C@H]1C[C@H](NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC001246184725 1314594960 /nfs/dbraw/zinc/59/49/60/1314594960.db2.gz OOXLKLXQHRVXFZ-VQTJNVASSA-N 2 1 344.547 2.839 20 10 EFCDMP Cc1ccc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC001251726721 1315371624 /nfs/dbraw/zinc/37/16/24/1315371624.db2.gz JMVNDRXDINDIDP-UHFFFAOYSA-N 2 1 331.435 2.811 20 10 EFCDMP CC(C)c1ccc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276815551 1315441885 /nfs/dbraw/zinc/44/18/85/1315441885.db2.gz VXBQOWQYTGORAN-UHFFFAOYSA-N 2 1 345.531 2.975 20 10 EFCDMP CC[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCS1 ZINC001319711898 1328959708 /nfs/dbraw/zinc/95/97/08/1328959708.db2.gz KAERGJUXDKSDQQ-INIZCTEOSA-N 2 1 337.508 2.905 20 10 EFCDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCS1 ZINC001319711898 1328959712 /nfs/dbraw/zinc/95/97/12/1328959712.db2.gz KAERGJUXDKSDQQ-INIZCTEOSA-N 2 1 337.508 2.905 20 10 EFCDMP C[C@@H]1SCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1C ZINC001319712629 1328960286 /nfs/dbraw/zinc/96/02/86/1328960286.db2.gz PTRJIWAOMLUQKG-GJZGRUSLSA-N 2 1 337.508 2.903 20 10 EFCDMP C[C@@H]1SCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1C ZINC001319712629 1328960289 /nfs/dbraw/zinc/96/02/89/1328960289.db2.gz PTRJIWAOMLUQKG-GJZGRUSLSA-N 2 1 337.508 2.903 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC(F)(F)C3)cc2F)CC1 ZINC001320080452 1329070906 /nfs/dbraw/zinc/07/09/06/1329070906.db2.gz BKROCYQRBDATNP-CQSZACIVSA-N 2 1 327.394 2.855 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(C)CCO[C@H]3C3CC3)cc2F)CC1 ZINC001320172384 1329100266 /nfs/dbraw/zinc/10/02/66/1329100266.db2.gz BVBOEOXMZUHCFZ-PMACEKPBSA-N 2 1 347.478 2.625 20 10 EFCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC001320245946 1329105518 /nfs/dbraw/zinc/10/55/18/1329105518.db2.gz KNUHNWLWMPXBMX-IRXDYDNUSA-N 2 1 331.504 2.866 20 10 EFCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCCO1 ZINC001320487032 1329143803 /nfs/dbraw/zinc/14/38/03/1329143803.db2.gz KXFLQHUPKQREBS-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCCO1 ZINC001320487032 1329143805 /nfs/dbraw/zinc/14/38/05/1329143805.db2.gz KXFLQHUPKQREBS-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP COCCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1 ZINC001339619960 1324885905 /nfs/dbraw/zinc/88/59/05/1324885905.db2.gz ZVFVLTLYZSTBCX-UHFFFAOYSA-N 2 1 335.467 2.626 20 10 EFCDMP CO[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H](C)C1 ZINC001321674075 1329402485 /nfs/dbraw/zinc/40/24/85/1329402485.db2.gz KXGSZTXTLXOFSH-NVXWUHKLSA-N 2 1 335.467 2.577 20 10 EFCDMP CO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H](C)C1 ZINC001321674075 1329402487 /nfs/dbraw/zinc/40/24/87/1329402487.db2.gz KXGSZTXTLXOFSH-NVXWUHKLSA-N 2 1 335.467 2.577 20 10 EFCDMP C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322338441 1329449050 /nfs/dbraw/zinc/44/90/50/1329449050.db2.gz KHYPVVCSJTZLMQ-WMZOPIPTSA-N 2 1 349.494 2.703 20 10 EFCDMP C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322338441 1329449051 /nfs/dbraw/zinc/44/90/51/1329449051.db2.gz KHYPVVCSJTZLMQ-WMZOPIPTSA-N 2 1 349.494 2.703 20 10 EFCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCC(CO)CC1 ZINC001324035706 1329593051 /nfs/dbraw/zinc/59/30/51/1329593051.db2.gz UQGYVYWXCGCENV-UHFFFAOYSA-N 2 1 349.494 2.560 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCC(CO)CC1 ZINC001324035706 1329593053 /nfs/dbraw/zinc/59/30/53/1329593053.db2.gz UQGYVYWXCGCENV-UHFFFAOYSA-N 2 1 349.494 2.560 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@]3(O)CCCC3(C)C)cc2F)CC1 ZINC001326260468 1329742473 /nfs/dbraw/zinc/74/24/73/1329742473.db2.gz YCQXSUJUQZYFDO-FQEVSTJZSA-N 2 1 349.494 2.608 20 10 EFCDMP COCC1(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1 ZINC001327868817 1330524674 /nfs/dbraw/zinc/52/46/74/1330524674.db2.gz MRSYSARCMJMEJP-UHFFFAOYSA-N 2 1 349.494 2.874 20 10 EFCDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(N)cc3)CC2)oc1C ZINC001336116054 1331436752 /nfs/dbraw/zinc/43/67/52/1331436752.db2.gz AUALDUBXZIYWQL-UHFFFAOYSA-N 2 1 328.460 2.875 20 10 EFCDMP C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001338734679 1331731266 /nfs/dbraw/zinc/73/12/66/1331731266.db2.gz FDCFWCYZCZDPGM-GQIGUUNPSA-N 2 1 349.494 2.559 20 10 EFCDMP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001338734679 1331731267 /nfs/dbraw/zinc/73/12/67/1331731267.db2.gz FDCFWCYZCZDPGM-GQIGUUNPSA-N 2 1 349.494 2.559 20 10 EFCDMP CCOc1ccc(N2CC[NH+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC001341586074 1332269527 /nfs/dbraw/zinc/26/95/27/1332269527.db2.gz GMCBRSXZJKSQAG-UHFFFAOYSA-N 2 1 328.460 2.803 20 10 EFCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001344578239 1332464419 /nfs/dbraw/zinc/46/44/19/1332464419.db2.gz CSNFFZYQPOBLDD-HOTGVXAUSA-N 2 1 331.504 2.865 20 10 EFCDMP CC(C)OCCC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347781239 1332772754 /nfs/dbraw/zinc/77/27/54/1332772754.db2.gz DUUNOFWUAVEHCU-UHFFFAOYSA-N 2 1 337.483 2.824 20 10 EFCDMP CC(C)OCCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347781239 1332772758 /nfs/dbraw/zinc/77/27/58/1332772758.db2.gz DUUNOFWUAVEHCU-UHFFFAOYSA-N 2 1 337.483 2.824 20 10 EFCDMP CC(C)OCCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347781239 1332772762 /nfs/dbraw/zinc/77/27/62/1332772762.db2.gz DUUNOFWUAVEHCU-UHFFFAOYSA-N 2 1 337.483 2.824 20 10 EFCDMP Oc1c(F)cc(F)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000894063542 720259538 /nfs/dbraw/zinc/25/95/38/720259538.db2.gz DATKOHVGKOTPPR-UHFFFAOYSA-N 2 1 340.414 2.747 20 10 EFCDMP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)c1 ZINC000164298156 727933326 /nfs/dbraw/zinc/93/33/26/727933326.db2.gz LOXASACUXOVZSU-UHFFFAOYSA-N 2 1 327.428 2.735 20 10 EFCDMP COC1CCN(c2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2)CC1 ZINC001578941687 1090484059 /nfs/dbraw/zinc/48/40/59/1090484059.db2.gz WMZVHWWZGVZKJW-UHFFFAOYSA-N 2 1 343.515 2.877 20 10 EFCDMP C[NH+](C)C1CCC([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001168305960 1106479180 /nfs/dbraw/zinc/47/91/80/1106479180.db2.gz WITWYOZXTFMJLK-UHFFFAOYSA-N 3 1 331.504 2.819 20 10 EFCDMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000898450570 1108943909 /nfs/dbraw/zinc/94/39/09/1108943909.db2.gz RYWNBHHMYGVWML-VDGAXYAQSA-N 2 1 332.536 2.675 20 10 EFCDMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H](C)C1 ZINC000898450570 1108943913 /nfs/dbraw/zinc/94/39/13/1108943913.db2.gz RYWNBHHMYGVWML-VDGAXYAQSA-N 2 1 332.536 2.675 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H](C)C1 ZINC000898450570 1108943919 /nfs/dbraw/zinc/94/39/19/1108943919.db2.gz RYWNBHHMYGVWML-VDGAXYAQSA-N 2 1 332.536 2.675 20 10 EFCDMP Cc1cc(Br)cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1O ZINC001235957050 1111932750 /nfs/dbraw/zinc/93/27/50/1111932750.db2.gz KCAGBAXQOGCZNG-LBPRGKRZSA-N 2 1 327.266 2.895 20 10 EFCDMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268806603 240559007 /nfs/dbraw/zinc/55/90/07/240559007.db2.gz CUAYIVOEFVLJHI-WMZOPIPTSA-N 2 1 349.494 2.923 20 10 EFCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000367684879 242388208 /nfs/dbraw/zinc/38/82/08/242388208.db2.gz IZWOQQGJBXFUJR-HXUWFJFHSA-N 2 1 343.515 2.687 20 10 EFCDMP C[N@H+]1CCCC[C@H]1CN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000120052796 472622395 /nfs/dbraw/zinc/62/23/95/472622395.db2.gz MABZQGGHFOZMLO-HNNXBMFYSA-N 2 1 337.895 2.648 20 10 EFCDMP C[N@H+](CCC[NH2+]Cc1cc2c(cc1O)OCO2)Cc1ccccc1 ZINC000063255901 472762090 /nfs/dbraw/zinc/76/20/90/472762090.db2.gz ZOUQIWXQYAKCCY-UHFFFAOYSA-N 2 1 328.412 2.733 20 10 EFCDMP C[N@@H+](CCC[NH2+]Cc1cc2c(cc1O)OCO2)Cc1ccccc1 ZINC000063255901 472762094 /nfs/dbraw/zinc/76/20/94/472762094.db2.gz ZOUQIWXQYAKCCY-UHFFFAOYSA-N 2 1 328.412 2.733 20 10 EFCDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)ccc1O ZINC000185414282 473420467 /nfs/dbraw/zinc/42/04/67/473420467.db2.gz XRVGJXHHXROGRG-UKRRQHHQSA-N 2 1 326.868 2.933 20 10 EFCDMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152405362 473557954 /nfs/dbraw/zinc/55/79/54/473557954.db2.gz YPFHRAHNIDLRGB-CVEARBPZSA-N 2 1 347.478 2.797 20 10 EFCDMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Cl)c1[O-] ZINC000287578062 473700426 /nfs/dbraw/zinc/70/04/26/473700426.db2.gz HFEMFFLOIHHSBE-MRXNPFEDSA-N 2 1 326.868 2.933 20 10 EFCDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1(C)C ZINC000282287615 474009488 /nfs/dbraw/zinc/00/94/88/474009488.db2.gz IRASCPMRRAENRY-UHFFFAOYSA-N 2 1 344.547 2.793 20 10 EFCDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000264930136 474162084 /nfs/dbraw/zinc/16/20/84/474162084.db2.gz AHCBOJFDNPFANG-IYBDPMFKSA-N 2 1 337.483 2.871 20 10 EFCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000265182846 474169123 /nfs/dbraw/zinc/16/91/23/474169123.db2.gz MBACJSZXEYGOCQ-FXAWDEMLSA-N 2 1 333.520 2.979 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000271089467 474401682 /nfs/dbraw/zinc/40/16/82/474401682.db2.gz KHHJVYUNIKIMIB-OAHLLOKOSA-N 2 1 334.460 2.573 20 10 EFCDMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268806599 475044542 /nfs/dbraw/zinc/04/45/42/475044542.db2.gz CUAYIVOEFVLJHI-FUHWJXTLSA-N 2 1 349.494 2.923 20 10 EFCDMP C[N@H+]1CC[C@]2(CCN(Cc3cc(Br)ccc3O)C2)C1 ZINC000292777170 475192806 /nfs/dbraw/zinc/19/28/06/475192806.db2.gz LALDBUKAAOTCFA-HNNXBMFYSA-N 2 1 325.250 2.682 20 10 EFCDMP COc1ccc(N2CCC[N@H+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC000372739636 477811156 /nfs/dbraw/zinc/81/11/56/477811156.db2.gz JFHPCZNFDWPASG-UHFFFAOYSA-N 2 1 328.460 2.803 20 10 EFCDMP COc1ccc(N2CCC[N@@H+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC000372739636 477811165 /nfs/dbraw/zinc/81/11/65/477811165.db2.gz JFHPCZNFDWPASG-UHFFFAOYSA-N 2 1 328.460 2.803 20 10 EFCDMP COc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000764965231 576529773 /nfs/dbraw/zinc/52/97/73/576529773.db2.gz JEIZUIJWEVPXSV-WOJBJXKFSA-N 2 1 329.488 2.880 20 10 EFCDMP COc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000764965231 576529775 /nfs/dbraw/zinc/52/97/75/576529775.db2.gz JEIZUIJWEVPXSV-WOJBJXKFSA-N 2 1 329.488 2.880 20 10 EFCDMP COc1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765039196 576539681 /nfs/dbraw/zinc/53/96/81/576539681.db2.gz RGVIBFFSFLIBKC-HKUYNNGSSA-N 2 1 329.488 2.880 20 10 EFCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000765039234 576539738 /nfs/dbraw/zinc/53/97/38/576539738.db2.gz SFYCCFAEDQBVQQ-HQRMLTQVSA-N 2 1 329.488 2.801 20 10 EFCDMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000765473344 577044959 /nfs/dbraw/zinc/04/49/59/577044959.db2.gz XPHSBGHQBWYGOV-KRWDZBQOSA-N 2 1 331.504 2.986 20 10 EFCDMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768229374 577261684 /nfs/dbraw/zinc/26/16/84/577261684.db2.gz KCRVTYXWQPJRTF-UHFFFAOYSA-N 2 1 349.494 2.967 20 10 EFCDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768229374 577261685 /nfs/dbraw/zinc/26/16/85/577261685.db2.gz KCRVTYXWQPJRTF-UHFFFAOYSA-N 2 1 349.494 2.967 20 10 EFCDMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000733329112 1265170955 /nfs/dbraw/zinc/17/09/55/1265170955.db2.gz MXRSNBZHQCVRHK-KRWDZBQOSA-N 2 1 335.467 2.625 20 10 EFCDMP Oc1cccc(F)c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001137831743 1270925789 /nfs/dbraw/zinc/92/57/89/1270925789.db2.gz LVDXAMQDDIEXRS-UHFFFAOYSA-N 2 1 336.451 2.856 20 10 EFCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000702554794 1271479104 /nfs/dbraw/zinc/47/91/04/1271479104.db2.gz XOEUWAPKJRTLFE-DYESRHJHSA-N 2 1 340.467 2.988 20 10 EFCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000702554794 1271479107 /nfs/dbraw/zinc/47/91/07/1271479107.db2.gz XOEUWAPKJRTLFE-DYESRHJHSA-N 2 1 340.467 2.988 20 10 EFCDMP COc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC001169154407 1272714257 /nfs/dbraw/zinc/71/42/57/1272714257.db2.gz PPRRQXPZWOUPGJ-PIIMJCKOSA-N 2 1 329.488 2.751 20 10 EFCDMP COc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1 ZINC001169154407 1272714269 /nfs/dbraw/zinc/71/42/69/1272714269.db2.gz PPRRQXPZWOUPGJ-PIIMJCKOSA-N 2 1 329.488 2.751 20 10 EFCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c(O)ccc2ccncc21 ZINC000746644223 1275682919 /nfs/dbraw/zinc/68/29/19/1275682919.db2.gz ASNXLNRPJWASJD-ZTNFWEORSA-N 2 1 341.455 2.624 20 10 EFCDMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000817888799 1276348514 /nfs/dbraw/zinc/34/85/14/1276348514.db2.gz OSCXYXLKCMMQGO-RBUKOAKNSA-N 2 1 341.430 2.897 20 10 EFCDMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894169 1276363319 /nfs/dbraw/zinc/36/33/19/1276363319.db2.gz KJXOIWNIAXOSFU-MSOLQXFVSA-N 2 1 335.467 2.536 20 10 EFCDMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894172 1276363351 /nfs/dbraw/zinc/36/33/51/1276363351.db2.gz KJXOIWNIAXOSFU-ZWKOTPCHSA-N 2 1 335.467 2.536 20 10 EFCDMP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000817899340 1276365984 /nfs/dbraw/zinc/36/59/84/1276365984.db2.gz LGTFGNCGIQXQDH-JJRVBVJISA-N 2 1 339.430 2.987 20 10 EFCDMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817946339 1276390851 /nfs/dbraw/zinc/39/08/51/1276390851.db2.gz WSXZGYCIOFWUBM-HUUCEWRRSA-N 2 1 337.895 2.827 20 10 EFCDMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817971874 1276413065 /nfs/dbraw/zinc/41/30/65/1276413065.db2.gz QLFHFFYONNIRMW-RBSFLKMASA-N 2 1 337.895 2.968 20 10 EFCDMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817971873 1276413123 /nfs/dbraw/zinc/41/31/23/1276413123.db2.gz QLFHFFYONNIRMW-QLFBSQMISA-N 2 1 337.895 2.968 20 10 EFCDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817983221 1276420559 /nfs/dbraw/zinc/42/05/59/1276420559.db2.gz ZRRHGWVHSIOOGV-KSSFIOAISA-N 2 1 335.467 2.830 20 10 EFCDMP COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000818221955 1276493636 /nfs/dbraw/zinc/49/36/36/1276493636.db2.gz PTXNUSGPRXGBQK-ZIFCJYIRSA-N 2 1 329.488 2.738 20 10 EFCDMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1N(C)C ZINC000815074260 1287300838 /nfs/dbraw/zinc/30/08/38/1287300838.db2.gz NMHVIFJRPRLKMO-YZGWKJHDSA-N 2 1 331.504 2.745 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000844923426 1279342403 /nfs/dbraw/zinc/34/24/03/1279342403.db2.gz IBODNQUUJGZQJE-NSHDSACASA-N 2 1 332.375 2.627 20 10 EFCDMP C[N@H+](Cc1c(O)cc(O)cc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001144514437 1279774825 /nfs/dbraw/zinc/77/48/25/1279774825.db2.gz DGGXIGVCCIHXPG-INIZCTEOSA-N 2 1 342.439 2.757 20 10 EFCDMP C[NH+](Cc1c(O)cc(O)cc1O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001144514437 1279774833 /nfs/dbraw/zinc/77/48/33/1279774833.db2.gz DGGXIGVCCIHXPG-INIZCTEOSA-N 2 1 342.439 2.757 20 10 EFCDMP C[NH+](Cc1c(O)cc(O)cc1O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001144514437 1279774841 /nfs/dbraw/zinc/77/48/41/1279774841.db2.gz DGGXIGVCCIHXPG-INIZCTEOSA-N 2 1 342.439 2.757 20 10 EFCDMP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001146600032 1280947504 /nfs/dbraw/zinc/94/75/04/1280947504.db2.gz DSUSHHMOUBVLAQ-IAGOWNOFSA-N 2 1 349.519 2.717 20 10 EFCDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809767502 1282431106 /nfs/dbraw/zinc/43/11/06/1282431106.db2.gz MZORJKSBCHSRTH-MJGOQNOKSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809767502 1282431109 /nfs/dbraw/zinc/43/11/09/1282431109.db2.gz MZORJKSBCHSRTH-MJGOQNOKSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000809767502 1282431113 /nfs/dbraw/zinc/43/11/13/1282431113.db2.gz MZORJKSBCHSRTH-MJGOQNOKSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815577156 1287608228 /nfs/dbraw/zinc/60/82/28/1287608228.db2.gz IBBBPWTYYMGWTK-HKUYNNGSSA-N 2 1 328.456 2.578 20 10 EFCDMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001172605467 1286199737 /nfs/dbraw/zinc/19/97/37/1286199737.db2.gz XQTUQZAURDSHIO-CRAIPNDOSA-N 2 1 346.471 2.678 20 10 EFCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001206327750 1288776945 /nfs/dbraw/zinc/77/69/45/1288776945.db2.gz XAPHZKVAHKZCFG-HNNXBMFYSA-N 2 1 343.265 2.811 20 10 EFCDMP COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1Cn1cccn1 ZINC000873010088 1289516270 /nfs/dbraw/zinc/51/62/70/1289516270.db2.gz YYIKZXHEFACIHO-UHFFFAOYSA-N 2 1 328.460 2.516 20 10 EFCDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cn1cccn1 ZINC000873013713 1289520058 /nfs/dbraw/zinc/52/00/58/1289520058.db2.gz GJBDVLFXHSYYCP-OALUTQOASA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cn1cccn1 ZINC000873013713 1289520065 /nfs/dbraw/zinc/52/00/65/1289520065.db2.gz GJBDVLFXHSYYCP-OALUTQOASA-N 2 1 340.471 2.656 20 10 EFCDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873029535 1289529329 /nfs/dbraw/zinc/52/93/29/1289529329.db2.gz JWRJSRCGKYJAKE-SFHVURJKSA-N 2 1 342.487 2.762 20 10 EFCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876757993 1291009882 /nfs/dbraw/zinc/00/98/82/1291009882.db2.gz HDALQXVNHGRJPP-FXAWDEMLSA-N 2 1 345.531 2.952 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876757993 1291009892 /nfs/dbraw/zinc/00/98/92/1291009892.db2.gz HDALQXVNHGRJPP-FXAWDEMLSA-N 2 1 345.531 2.952 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876757993 1291009902 /nfs/dbraw/zinc/00/99/02/1291009902.db2.gz HDALQXVNHGRJPP-FXAWDEMLSA-N 2 1 345.531 2.952 20 10 EFCDMP Cc1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c(O)c1 ZINC000876875147 1291054657 /nfs/dbraw/zinc/05/46/57/1291054657.db2.gz QHXYQHUQFBGQAP-HXUWFJFHSA-N 2 1 339.483 2.779 20 10 EFCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1O ZINC000248523916 1291108480 /nfs/dbraw/zinc/10/84/80/1291108480.db2.gz STSZUSQLBFDANU-RDTXWAMCSA-N 2 1 344.430 2.949 20 10 EFCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1O ZINC000248523916 1291108485 /nfs/dbraw/zinc/10/84/85/1291108485.db2.gz STSZUSQLBFDANU-RDTXWAMCSA-N 2 1 344.430 2.949 20 10 EFCDMP Cc1cccc(O)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000877190433 1291160872 /nfs/dbraw/zinc/16/08/72/1291160872.db2.gz FJIHKDWJKGLXOL-IBGZPJMESA-N 2 1 340.467 2.947 20 10 EFCDMP Cc1cccc(O)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000877190434 1291160986 /nfs/dbraw/zinc/16/09/86/1291160986.db2.gz FJIHKDWJKGLXOL-LJQANCHMSA-N 2 1 340.467 2.947 20 10 EFCDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532708 1291263992 /nfs/dbraw/zinc/26/39/92/1291263992.db2.gz WSPAQSIUBKQLNO-NQIIRXRSSA-N 2 1 343.515 2.564 20 10 EFCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532708 1291264003 /nfs/dbraw/zinc/26/40/03/1291264003.db2.gz WSPAQSIUBKQLNO-NQIIRXRSSA-N 2 1 343.515 2.564 20 10 EFCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532708 1291264011 /nfs/dbraw/zinc/26/40/11/1291264011.db2.gz WSPAQSIUBKQLNO-NQIIRXRSSA-N 2 1 343.515 2.564 20 10 EFCDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C)cc3O)CC2)CC1 ZINC000877596047 1291285175 /nfs/dbraw/zinc/28/51/75/1291285175.db2.gz MLQYEYOSWCZJTM-UHFFFAOYSA-N 2 1 331.504 2.693 20 10 EFCDMP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000877674241 1291325465 /nfs/dbraw/zinc/32/54/65/1291325465.db2.gz OQBJZVDFEANYAA-UHFFFAOYSA-N 2 1 343.515 2.974 20 10 EFCDMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001203551684 1312954539 /nfs/dbraw/zinc/95/45/39/1312954539.db2.gz KKDAHCKDTVJEIZ-QGZVFWFLSA-N 2 1 346.471 2.632 20 10 EFCDMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001203551684 1312954543 /nfs/dbraw/zinc/95/45/43/1312954543.db2.gz KKDAHCKDTVJEIZ-QGZVFWFLSA-N 2 1 346.471 2.632 20 10 EFCDMP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3O)C[C@@H]2C1 ZINC001233775730 1312989896 /nfs/dbraw/zinc/98/98/96/1312989896.db2.gz BIWUXTWCTWYMJP-STQMWFEESA-N 2 1 330.350 2.674 20 10 EFCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001203939491 1313051443 /nfs/dbraw/zinc/05/14/43/1313051443.db2.gz OWJJCBYSZHYYQE-LEWJYISDSA-N 2 1 344.547 2.743 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775715994 1294241507 /nfs/dbraw/zinc/24/15/07/1294241507.db2.gz OGLIXAWOQYKTLR-NQIIRXRSSA-N 3 1 344.547 2.743 20 10 EFCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775715994 1294241510 /nfs/dbraw/zinc/24/15/10/1294241510.db2.gz OGLIXAWOQYKTLR-NQIIRXRSSA-N 3 1 344.547 2.743 20 10 EFCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775715994 1294241511 /nfs/dbraw/zinc/24/15/11/1294241511.db2.gz OGLIXAWOQYKTLR-NQIIRXRSSA-N 3 1 344.547 2.743 20 10 EFCDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3c(O)cccc3F)C2)C1 ZINC001276359950 1294653783 /nfs/dbraw/zinc/65/37/83/1294653783.db2.gz ODSKHLZLTPUWIZ-FQEVSTJZSA-N 2 1 349.494 2.771 20 10 EFCDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3c(O)cccc3F)C2)C1 ZINC001276359950 1294653796 /nfs/dbraw/zinc/65/37/96/1294653796.db2.gz ODSKHLZLTPUWIZ-FQEVSTJZSA-N 2 1 349.494 2.771 20 10 EFCDMP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC000305358485 1296163556 /nfs/dbraw/zinc/16/35/56/1296163556.db2.gz SMIFMJDVPFFWEK-SJORKVTESA-N 2 1 347.478 2.503 20 10 EFCDMP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC000305358485 1296163559 /nfs/dbraw/zinc/16/35/59/1296163559.db2.gz SMIFMJDVPFFWEK-SJORKVTESA-N 2 1 347.478 2.503 20 10 EFCDMP CC(C)(C)c1cccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1O ZINC001235009146 1313223228 /nfs/dbraw/zinc/22/32/28/1313223228.db2.gz SYFUULJYSMICNH-HXUWFJFHSA-N 2 1 332.488 2.892 20 10 EFCDMP CC(C)(C)c1cccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1O ZINC001235009146 1313223232 /nfs/dbraw/zinc/22/32/32/1313223232.db2.gz SYFUULJYSMICNH-HXUWFJFHSA-N 2 1 332.488 2.892 20 10 EFCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235039243 1313229695 /nfs/dbraw/zinc/22/96/95/1313229695.db2.gz WKGPBIGLBMXUIE-TZIWHRDSSA-N 2 1 339.483 2.904 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(Br)c1 ZINC001205288127 1313265265 /nfs/dbraw/zinc/26/52/65/1313265265.db2.gz GNDCSDPAXQBCNJ-OAHLLOKOSA-N 2 1 343.265 2.867 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(Br)c1 ZINC001205288127 1313265270 /nfs/dbraw/zinc/26/52/70/1313265270.db2.gz GNDCSDPAXQBCNJ-OAHLLOKOSA-N 2 1 343.265 2.867 20 10 EFCDMP C[C@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@@H]1C[NH3+] ZINC001205303367 1313267185 /nfs/dbraw/zinc/26/71/85/1313267185.db2.gz DAZNDWSHLIDHFH-YOEHRIQHSA-N 2 1 329.488 2.508 20 10 EFCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235408526 1313314617 /nfs/dbraw/zinc/31/46/17/1313314617.db2.gz UJVVMIJHNYBBCW-LSDHHAIUSA-N 2 1 332.341 2.935 20 10 EFCDMP C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)CC[C@@H]1C[NH3+] ZINC001205602675 1313321172 /nfs/dbraw/zinc/32/11/72/1313321172.db2.gz LKTVYNSLWVMLQH-NWDGAFQWSA-N 2 1 327.266 2.962 20 10 EFCDMP C[C@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@@H]1C[NH3+] ZINC001205617348 1313323788 /nfs/dbraw/zinc/32/37/88/1313323788.db2.gz JCRFOLFKHNSZAT-DOTOQJQBSA-N 2 1 343.515 2.898 20 10 EFCDMP C[C@@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@H]1C[NH3+] ZINC001205617351 1313324077 /nfs/dbraw/zinc/32/40/77/1313324077.db2.gz JCRFOLFKHNSZAT-WBVHZDCISA-N 2 1 343.515 2.898 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c2ccccc2n1C ZINC001205637889 1313328568 /nfs/dbraw/zinc/32/85/68/1313328568.db2.gz JTHOAGUCOJYASN-CABCVRRESA-N 2 1 343.471 2.772 20 10 EFCDMP CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)ccc2O1 ZINC001205795534 1313357694 /nfs/dbraw/zinc/35/76/94/1313357694.db2.gz HWOBIRIVSRVYFH-ZDUSSCGKSA-N 2 1 338.398 2.992 20 10 EFCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)ccc2O1 ZINC001205795534 1313357697 /nfs/dbraw/zinc/35/76/97/1313357697.db2.gz HWOBIRIVSRVYFH-ZDUSSCGKSA-N 2 1 338.398 2.992 20 10 EFCDMP CC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235678848 1313373717 /nfs/dbraw/zinc/37/37/17/1313373717.db2.gz MFYQNFZEZUERIY-QFBILLFUSA-N 2 1 332.488 2.842 20 10 EFCDMP CC[N@H+]1CCO[C@@H]2CN(Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235678848 1313373721 /nfs/dbraw/zinc/37/37/21/1313373721.db2.gz MFYQNFZEZUERIY-QFBILLFUSA-N 2 1 332.488 2.842 20 10 EFCDMP COc1ccc(CC[N@@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001235840264 1313407371 /nfs/dbraw/zinc/40/73/71/1313407371.db2.gz HCKVZYRBHVARRG-UHFFFAOYSA-N 2 1 339.483 2.779 20 10 EFCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001235857367 1313411131 /nfs/dbraw/zinc/41/11/31/1313411131.db2.gz WFIBFANRGZIYHL-SJORKVTESA-N 2 1 329.488 2.814 20 10 EFCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001235865484 1313412591 /nfs/dbraw/zinc/41/25/91/1313412591.db2.gz DTDVVVKJQWCGLW-QFBILLFUSA-N 2 1 329.488 2.956 20 10 EFCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC[C@H]1F ZINC001206201065 1313420258 /nfs/dbraw/zinc/42/02/58/1313420258.db2.gz VKVMRRWRGPATNI-OLZOCXBDSA-N 2 1 336.329 2.595 20 10 EFCDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC[C@@H]1F ZINC001206201070 1313420452 /nfs/dbraw/zinc/42/04/52/1313420452.db2.gz VKVMRRWRGPATNI-STQMWFEESA-N 2 1 336.329 2.595 20 10 EFCDMP CCOC(=O)c1c(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001235956446 1313423190 /nfs/dbraw/zinc/42/31/90/1313423190.db2.gz DCJZOJFFRJZYIJ-OAHLLOKOSA-N 2 1 343.471 2.786 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001235956446 1313423191 /nfs/dbraw/zinc/42/31/91/1313423191.db2.gz DCJZOJFFRJZYIJ-OAHLLOKOSA-N 2 1 343.471 2.786 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)cc2)CC1 ZINC001206311395 1313434221 /nfs/dbraw/zinc/43/42/21/1313434221.db2.gz NMCLJFURWNLFBE-OAQYLSRUSA-N 3 1 344.547 2.779 20 10 EFCDMP C[N@@H+](CCc1cccc(F)c1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236267076 1313462339 /nfs/dbraw/zinc/46/23/39/1313462339.db2.gz XXXPDVKJPMRZMC-UHFFFAOYSA-N 2 1 327.447 2.910 20 10 EFCDMP C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219759 1313457140 /nfs/dbraw/zinc/45/71/40/1313457140.db2.gz XQKBIOQETJRGFT-AEFFLSMTSA-N 2 1 337.895 2.878 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219759 1313457143 /nfs/dbraw/zinc/45/71/43/1313457143.db2.gz XQKBIOQETJRGFT-AEFFLSMTSA-N 2 1 337.895 2.878 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c2ccccc2n1C ZINC001206564528 1313477394 /nfs/dbraw/zinc/47/73/94/1313477394.db2.gz QDNJDUVTDFLYFF-FQEVSTJZSA-N 2 1 343.471 2.916 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)c(F)c2)CC1 ZINC001206572173 1313477878 /nfs/dbraw/zinc/47/78/78/1313477878.db2.gz BVGVTXDXMWTUNA-FQEVSTJZSA-N 3 1 348.510 2.528 20 10 EFCDMP Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1C1CCCCC1)C[NH2+]CCO2 ZINC001236433329 1313480268 /nfs/dbraw/zinc/48/02/68/1313480268.db2.gz GXDSJRHUYXOUAT-SFHVURJKSA-N 2 1 346.471 2.655 20 10 EFCDMP CC(C)[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@@H]1CC[NH2+]C1 ZINC001236530440 1313489081 /nfs/dbraw/zinc/48/90/81/1313489081.db2.gz QCLSFPNYRYBABC-QGZVFWFLSA-N 2 1 329.488 2.663 20 10 EFCDMP CC(C)[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@@H]1CC[NH2+]C1 ZINC001236530440 1313489082 /nfs/dbraw/zinc/48/90/82/1313489082.db2.gz QCLSFPNYRYBABC-QGZVFWFLSA-N 2 1 329.488 2.663 20 10 EFCDMP COC(=O)c1c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c2ccccc2n1C ZINC001206770126 1313503872 /nfs/dbraw/zinc/50/38/72/1313503872.db2.gz RGNMWKIHZAOTPL-KGLIPLIRSA-N 2 1 329.444 2.524 20 10 EFCDMP COC(=O)c1c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c2ccccc2n1C ZINC001206770126 1313503874 /nfs/dbraw/zinc/50/38/74/1313503874.db2.gz RGNMWKIHZAOTPL-KGLIPLIRSA-N 2 1 329.444 2.524 20 10 EFCDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc2ccccc2cc1O ZINC001236834668 1313538579 /nfs/dbraw/zinc/53/85/79/1313538579.db2.gz AUBHWZPOTWUKNU-UHFFFAOYSA-N 2 1 344.455 2.862 20 10 EFCDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc2ccccc2cc1O ZINC001236832497 1313538894 /nfs/dbraw/zinc/53/88/94/1313538894.db2.gz OBUQQJRWBBFCTF-VQTJNVASSA-N 2 1 339.483 2.756 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)c(F)c2)CC1 ZINC001236938868 1313557202 /nfs/dbraw/zinc/55/72/02/1313557202.db2.gz OMUBNCMENUIOCI-CQSZACIVSA-N 2 1 345.384 2.962 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)c(F)c2)CC1 ZINC001236938868 1313557203 /nfs/dbraw/zinc/55/72/03/1313557203.db2.gz OMUBNCMENUIOCI-CQSZACIVSA-N 2 1 345.384 2.962 20 10 EFCDMP CCO[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236940866 1313557833 /nfs/dbraw/zinc/55/78/33/1313557833.db2.gz VKNVNVIVBSPLAQ-GOSISDBHSA-N 2 1 335.467 2.578 20 10 EFCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)cc3O)C2)C1 ZINC001237060639 1313579031 /nfs/dbraw/zinc/57/90/31/1313579031.db2.gz WLHZGYJGTDNTLV-INIZCTEOSA-N 2 1 344.377 2.861 20 10 EFCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)C2)C1 ZINC001237060639 1313579034 /nfs/dbraw/zinc/57/90/34/1313579034.db2.gz WLHZGYJGTDNTLV-INIZCTEOSA-N 2 1 344.377 2.861 20 10 EFCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3O)C2)C1 ZINC001237060639 1313579036 /nfs/dbraw/zinc/57/90/36/1313579036.db2.gz WLHZGYJGTDNTLV-INIZCTEOSA-N 2 1 344.377 2.861 20 10 EFCDMP Oc1c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001237390493 1313634466 /nfs/dbraw/zinc/63/44/66/1313634466.db2.gz IRXDQVSWMDNDEU-APWZRJJASA-N 2 1 341.499 2.665 20 10 EFCDMP c1c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001237405791 1313639046 /nfs/dbraw/zinc/63/90/46/1313639046.db2.gz RWCBVCUFEZVNJE-UXHICEINSA-N 2 1 325.500 2.959 20 10 EFCDMP Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237414971 1313640889 /nfs/dbraw/zinc/64/08/89/1313640889.db2.gz NSARNFDYRPXPDH-WFASDCNBSA-N 2 1 344.377 2.907 20 10 EFCDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)cccc3O)CC2)C1 ZINC001237494431 1313655872 /nfs/dbraw/zinc/65/58/72/1313655872.db2.gz IRFOFSMNEPPSBI-MRXNPFEDSA-N 2 1 346.471 2.550 20 10 EFCDMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C)cc1O ZINC000794811241 1303142616 /nfs/dbraw/zinc/14/26/16/1303142616.db2.gz WJHPFPLHHWYDRR-SFHVURJKSA-N 2 1 347.503 2.684 20 10 EFCDMP Cc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c(O)cc1Br ZINC001250133980 1315177017 /nfs/dbraw/zinc/17/70/17/1315177017.db2.gz SVDDPDKWVHSAKP-INIZCTEOSA-N 2 1 339.277 2.991 20 10 EFCDMP Oc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)cc(O)c1O ZINC001276833941 1311176430 /nfs/dbraw/zinc/17/64/30/1311176430.db2.gz VHRCLQIVBAWASF-IYBDPMFKSA-N 2 1 346.471 2.890 20 10 EFCDMP Oc1cc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)cc(O)c1O ZINC001276833941 1311176432 /nfs/dbraw/zinc/17/64/32/1311176432.db2.gz VHRCLQIVBAWASF-IYBDPMFKSA-N 2 1 346.471 2.890 20 10 EFCDMP Oc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)cc(O)c1O ZINC001276833941 1311176435 /nfs/dbraw/zinc/17/64/35/1311176435.db2.gz VHRCLQIVBAWASF-IYBDPMFKSA-N 2 1 346.471 2.890 20 10 EFCDMP Cc1cc(F)cc(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1O ZINC001277519795 1312499877 /nfs/dbraw/zinc/49/98/77/1312499877.db2.gz LRWVPEYIXYYUKC-UHFFFAOYSA-N 2 1 349.494 2.689 20 10 EFCDMP Cc1cc(F)cc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)c1O ZINC001277519795 1312499879 /nfs/dbraw/zinc/49/98/79/1312499879.db2.gz LRWVPEYIXYYUKC-UHFFFAOYSA-N 2 1 349.494 2.689 20 10 EFCDMP CN1CCC([N@@H+](C)Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232196628 1312646861 /nfs/dbraw/zinc/64/68/61/1312646861.db2.gz DIGUJOOSHVTGIO-UHFFFAOYSA-N 2 1 337.895 2.703 20 10 EFCDMP CN(Cc1ccc(N2CCOCC2)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001232196628 1312646864 /nfs/dbraw/zinc/64/68/64/1312646864.db2.gz DIGUJOOSHVTGIO-UHFFFAOYSA-N 2 1 337.895 2.703 20 10 EFCDMP C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001232196628 1312646867 /nfs/dbraw/zinc/64/68/67/1312646867.db2.gz DIGUJOOSHVTGIO-UHFFFAOYSA-N 2 1 337.895 2.703 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001232196628 1312646871 /nfs/dbraw/zinc/64/68/71/1312646871.db2.gz DIGUJOOSHVTGIO-UHFFFAOYSA-N 2 1 337.895 2.703 20 10 EFCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC001276373812 1314573829 /nfs/dbraw/zinc/57/38/29/1314573829.db2.gz KCTAXBRTKDMQFP-APWZRJJASA-N 2 1 339.483 2.613 20 10 EFCDMP c1cc(N2CC[NH2+]CC2)ccc1CN[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246175581 1314593060 /nfs/dbraw/zinc/59/30/60/1314593060.db2.gz UGTPCXQAJQYTFC-LJQANCHMSA-N 2 1 342.531 2.593 20 10 EFCDMP c1cc(N2CC[NH2+]CC2)ccc1CN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246175581 1314593064 /nfs/dbraw/zinc/59/30/64/1314593064.db2.gz UGTPCXQAJQYTFC-LJQANCHMSA-N 2 1 342.531 2.593 20 10 EFCDMP COc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)c(C)c1 ZINC001246935072 1314710224 /nfs/dbraw/zinc/71/02/24/1314710224.db2.gz QGAFGACWKQJRGJ-PKOBYXMFSA-N 2 1 331.504 2.902 20 10 EFCDMP C[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246997985 1314727311 /nfs/dbraw/zinc/72/73/11/1314727311.db2.gz WUMJYLAAWVXAKT-HIFRSBDPSA-N 2 1 343.393 2.848 20 10 EFCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249218484 1315034008 /nfs/dbraw/zinc/03/40/08/1315034008.db2.gz XKDURTWNYDNQBF-UHFFFAOYSA-N 2 1 348.487 2.804 20 10 EFCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3O)C=CC(C)(C)O4)C[C@@H]2C1 ZINC001249259085 1315040671 /nfs/dbraw/zinc/04/06/71/1315040671.db2.gz RFBIRFCMWGVLGK-IYBDPMFKSA-N 2 1 328.456 2.960 20 10 EFCDMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217724963 1315106921 /nfs/dbraw/zinc/10/69/21/1315106921.db2.gz MQFDTJCTRQLJBD-QGZVFWFLSA-N 2 1 337.427 2.917 20 10 EFCDMP CC[N@@H+]1C[C@H]2CN(Cc3cc(C)c(Br)cc3O)C[C@H]2C1 ZINC001250136231 1315178027 /nfs/dbraw/zinc/17/80/27/1315178027.db2.gz OQQRVLOSOZBHSR-OKILXGFUSA-N 2 1 339.277 2.847 20 10 EFCDMP COc1cc(O)c(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1OC ZINC001276790306 1315218710 /nfs/dbraw/zinc/21/87/10/1315218710.db2.gz POAXTZJRQBVZDI-UHFFFAOYSA-N 2 1 334.460 2.717 20 10 EFCDMP CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318396738 1328574380 /nfs/dbraw/zinc/57/43/80/1328574380.db2.gz JOBPXGGEGVQNBU-ICSRJNTNSA-N 2 1 348.510 2.540 20 10 EFCDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc4ccccc4cc3O)[C@@H]2C1 ZINC001276812765 1315404574 /nfs/dbraw/zinc/40/45/74/1315404574.db2.gz JHSAMTUWDFFJOQ-AZUAARDMSA-N 2 1 339.483 2.613 20 10 EFCDMP Cc1cc(C)c(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC001252949892 1315541987 /nfs/dbraw/zinc/54/19/87/1315541987.db2.gz XIVSBBXBBUHLQU-OAQYLSRUSA-N 2 1 340.467 2.736 20 10 EFCDMP Cc1cc(C)c(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC001252949892 1315541991 /nfs/dbraw/zinc/54/19/91/1315541991.db2.gz XIVSBBXBBUHLQU-OAQYLSRUSA-N 2 1 340.467 2.736 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC001255665917 1315854828 /nfs/dbraw/zinc/85/48/28/1315854828.db2.gz MGARBNNKXZKRDM-VCSGRIEYSA-N 3 1 342.531 2.543 20 10 EFCDMP CC[NH+](CC)CC[C@@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001255942207 1315883148 /nfs/dbraw/zinc/88/31/48/1315883148.db2.gz CRLUZPRSDYTMGG-GOSISDBHSA-N 2 1 332.536 2.648 20 10 EFCDMP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001256404033 1315935632 /nfs/dbraw/zinc/93/56/32/1315935632.db2.gz DDEVXWCWXVTORD-MRXNPFEDSA-N 2 1 325.456 2.972 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)cc2F)CC1 ZINC001319947781 1329041969 /nfs/dbraw/zinc/04/19/69/1329041969.db2.gz DMXSKKFSNYPLJZ-PXNSSMCTSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4OCCC[C@H]4C3)cc2F)CC1 ZINC001319947781 1329041974 /nfs/dbraw/zinc/04/19/74/1329041974.db2.gz DMXSKKFSNYPLJZ-PXNSSMCTSA-N 2 1 347.478 2.578 20 10 EFCDMP CC[C@]1(CO)CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320487827 1329143827 /nfs/dbraw/zinc/14/38/27/1329143827.db2.gz WEKKUORPQMUILZ-FQEVSTJZSA-N 2 1 349.494 2.562 20 10 EFCDMP CC[C@]1(CO)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320487827 1329143828 /nfs/dbraw/zinc/14/38/28/1329143828.db2.gz WEKKUORPQMUILZ-FQEVSTJZSA-N 2 1 349.494 2.562 20 10 EFCDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000904405060 1324875758 /nfs/dbraw/zinc/87/57/58/1324875758.db2.gz ICLXJVHBLNBISS-OAHLLOKOSA-N 2 1 332.448 2.756 20 10 EFCDMP CO[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)C1 ZINC001321674076 1329402458 /nfs/dbraw/zinc/40/24/58/1329402458.db2.gz KXGSZTXTLXOFSH-RDJZCZTQSA-N 2 1 335.467 2.577 20 10 EFCDMP CO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)C1 ZINC001321674076 1329402459 /nfs/dbraw/zinc/40/24/59/1329402459.db2.gz KXGSZTXTLXOFSH-RDJZCZTQSA-N 2 1 335.467 2.577 20 10 EFCDMP COC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326450674 1329758014 /nfs/dbraw/zinc/75/80/14/1329758014.db2.gz AXHXKSICNMDWEQ-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP COC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326450674 1329758015 /nfs/dbraw/zinc/75/80/15/1329758015.db2.gz AXHXKSICNMDWEQ-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP COCCC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001329160144 1330674822 /nfs/dbraw/zinc/67/48/22/1330674822.db2.gz BCMCKQGLDOLXNQ-UHFFFAOYSA-N 2 1 349.494 2.826 20 10 EFCDMP CCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cn1 ZINC001347792671 1332774075 /nfs/dbraw/zinc/77/40/75/1332774075.db2.gz BZCKRZCLMLREPX-OAHLLOKOSA-N 2 1 345.466 2.645 20 10 EFCDMP CCN(CC)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000848520449 1334770502 /nfs/dbraw/zinc/77/05/02/1334770502.db2.gz JENGZBFJMKKSDL-FQEVSTJZSA-N 2 1 331.504 2.876 20 10 EFCDMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)C1 ZINC000841102891 728326594 /nfs/dbraw/zinc/32/65/94/728326594.db2.gz BDTDWJDAPWVYSC-WBMJQRKESA-N 2 1 342.842 2.903 20 10 EFCDMP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@]2(O)CC[NH2+]C2)cc1 ZINC001577738318 1090160074 /nfs/dbraw/zinc/16/00/74/1090160074.db2.gz RLHNLKDHRDHSIB-NRFANRHFSA-N 2 1 339.483 2.527 20 10 EFCDMP Cc1cc(C[N@@H+](C)C2(C[NH3+])CCOCC2)ccc1N1CCCCC1 ZINC001579593288 1090638354 /nfs/dbraw/zinc/63/83/54/1090638354.db2.gz YTOSFQHJJKSMLI-UHFFFAOYSA-N 2 1 331.504 2.925 20 10 EFCDMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC001580185317 1090804904 /nfs/dbraw/zinc/80/49/04/1090804904.db2.gz WRPLCWPMVXOXPM-RDJZCZTQSA-N 2 1 342.842 2.903 20 10 EFCDMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000124375126 473238960 /nfs/dbraw/zinc/23/89/60/473238960.db2.gz NEPWHFCERCNXED-QGZVFWFLSA-N 2 1 332.536 2.677 20 10 EFCDMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000128407930 472447471 /nfs/dbraw/zinc/44/74/71/472447471.db2.gz MBWJXWFWGOCTHK-FQEVSTJZSA-N 2 1 332.536 2.821 20 10 EFCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093133346 473048134 /nfs/dbraw/zinc/04/81/34/473048134.db2.gz PFUVQAIZYLHKKJ-OAQYLSRUSA-N 2 1 344.547 2.745 20 10 EFCDMP CCN(C)c1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282487589 474083729 /nfs/dbraw/zinc/08/37/29/474083729.db2.gz XHDJSZOIEDROLA-KRWDZBQOSA-N 2 1 332.536 2.819 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278455652 474649056 /nfs/dbraw/zinc/64/90/56/474649056.db2.gz MAHVNOFRJMESDP-CYBMUJFWSA-N 2 1 332.444 2.704 20 10 EFCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780994 475041294 /nfs/dbraw/zinc/04/12/94/475041294.db2.gz PTLAEUCFCQHRSE-QKYXUNIQSA-N 2 1 347.478 2.940 20 10 EFCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780994 475041301 /nfs/dbraw/zinc/04/13/01/475041301.db2.gz PTLAEUCFCQHRSE-QKYXUNIQSA-N 2 1 347.478 2.940 20 10 EFCDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887316 475051061 /nfs/dbraw/zinc/05/10/61/475051061.db2.gz ZCMWSWIDAOITMO-CBGDNZLLSA-N 2 1 345.531 2.714 20 10 EFCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423090474 476923668 /nfs/dbraw/zinc/92/36/68/476923668.db2.gz XRUGXYUMEBCSPE-KSZLIROESA-N 2 1 327.472 2.733 20 10 EFCDMP CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000371469978 477338934 /nfs/dbraw/zinc/33/89/34/477338934.db2.gz HSVQXDUXNMXPKW-ATZDWAIDSA-N 2 1 335.467 2.575 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000371469978 477338941 /nfs/dbraw/zinc/33/89/41/477338941.db2.gz HSVQXDUXNMXPKW-ATZDWAIDSA-N 2 1 335.467 2.575 20 10 EFCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762790208 576331792 /nfs/dbraw/zinc/33/17/92/576331792.db2.gz YQZBYXJFCUHEQL-YLJYHZDGSA-N 2 1 331.504 2.784 20 10 EFCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762790208 576331795 /nfs/dbraw/zinc/33/17/95/576331795.db2.gz YQZBYXJFCUHEQL-YLJYHZDGSA-N 2 1 331.504 2.784 20 10 EFCDMP COc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000764965224 576529299 /nfs/dbraw/zinc/52/92/99/576529299.db2.gz JEIZUIJWEVPXSV-PMACEKPBSA-N 2 1 329.488 2.880 20 10 EFCDMP COc1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000764965224 576529300 /nfs/dbraw/zinc/52/93/00/576529300.db2.gz JEIZUIJWEVPXSV-PMACEKPBSA-N 2 1 329.488 2.880 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000768467115 577276556 /nfs/dbraw/zinc/27/65/56/577276556.db2.gz ZDWPPJXBGKKVEV-HNNXBMFYSA-N 2 1 334.460 2.573 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000768467115 577276557 /nfs/dbraw/zinc/27/65/57/577276557.db2.gz ZDWPPJXBGKKVEV-HNNXBMFYSA-N 2 1 334.460 2.573 20 10 EFCDMP COc1cc(O)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1OC ZINC000768467115 577276558 /nfs/dbraw/zinc/27/65/58/577276558.db2.gz ZDWPPJXBGKKVEV-HNNXBMFYSA-N 2 1 334.460 2.573 20 10 EFCDMP COc1cc(O)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1OC ZINC000768467115 577276559 /nfs/dbraw/zinc/27/65/59/577276559.db2.gz ZDWPPJXBGKKVEV-HNNXBMFYSA-N 2 1 334.460 2.573 20 10 EFCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769513493 577368927 /nfs/dbraw/zinc/36/89/27/577368927.db2.gz AUIUDKKUKOCIJC-KRWDZBQOSA-N 2 1 337.483 2.824 20 10 EFCDMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC[C@H]21 ZINC000770351132 577412334 /nfs/dbraw/zinc/41/23/34/577412334.db2.gz JHBVLFPWBAOACW-IEBWSBKVSA-N 2 1 347.478 2.578 20 10 EFCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC[C@H]21 ZINC000770351132 577412335 /nfs/dbraw/zinc/41/23/35/577412335.db2.gz JHBVLFPWBAOACW-IEBWSBKVSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)CC[C@H]21 ZINC000770351132 577412336 /nfs/dbraw/zinc/41/23/36/577412336.db2.gz JHBVLFPWBAOACW-IEBWSBKVSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)CC[C@H]21 ZINC000770351132 577412337 /nfs/dbraw/zinc/41/23/37/577412337.db2.gz JHBVLFPWBAOACW-IEBWSBKVSA-N 2 1 347.478 2.578 20 10 EFCDMP CCN(C)c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000773815682 581465829 /nfs/dbraw/zinc/46/58/29/581465829.db2.gz YTZDORPBDWYXHT-UHFFFAOYSA-N 2 1 332.536 2.601 20 10 EFCDMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1N(C)C ZINC000923386483 1261595022 /nfs/dbraw/zinc/59/50/22/1261595022.db2.gz BYTMMVSBJULZBG-CMKODMSKSA-N 2 1 331.504 2.779 20 10 EFCDMP CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C12CCC2 ZINC000825104219 1278399383 /nfs/dbraw/zinc/39/93/83/1278399383.db2.gz RGMYYMVQTMHWCE-UXHICEINSA-N 2 1 343.515 2.828 20 10 EFCDMP Cc1cc(O)c(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000825247563 1278484883 /nfs/dbraw/zinc/48/48/83/1278484883.db2.gz UYWVKMPXQLKCGK-UHFFFAOYSA-N 2 1 339.911 2.717 20 10 EFCDMP Cc1cc(O)c(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000742372550 1270027716 /nfs/dbraw/zinc/02/77/16/1270027716.db2.gz PNQSGXXAAFUYIV-OAQYLSRUSA-N 2 1 340.467 2.736 20 10 EFCDMP Cc1cc(O)c(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000742372550 1270027721 /nfs/dbraw/zinc/02/77/21/1270027721.db2.gz PNQSGXXAAFUYIV-OAQYLSRUSA-N 2 1 340.467 2.736 20 10 EFCDMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001169445966 1272921731 /nfs/dbraw/zinc/92/17/31/1272921731.db2.gz CEICJNXARNTPCX-MRXNPFEDSA-N 2 1 347.503 2.593 20 10 EFCDMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000817888800 1276348286 /nfs/dbraw/zinc/34/82/86/1276348286.db2.gz OSCXYXLKCMMQGO-RTBURBONSA-N 2 1 341.430 2.897 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000817949488 1276396654 /nfs/dbraw/zinc/39/66/54/1276396654.db2.gz QNDODSPSVRATNG-ZDUSSCGKSA-N 2 1 328.412 2.531 20 10 EFCDMP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000818221953 1276493754 /nfs/dbraw/zinc/49/37/54/1276493754.db2.gz PTXNUSGPRXGBQK-LMMKCTJWSA-N 2 1 329.488 2.738 20 10 EFCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000844902491 1279323571 /nfs/dbraw/zinc/32/35/71/1279323571.db2.gz NZGWKQMLZFJZKP-QOKNQOGYSA-N 2 1 334.460 2.509 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3[C@H]3CCCO3)cc2)CC1 ZINC000793609689 1279772585 /nfs/dbraw/zinc/77/25/85/1279772585.db2.gz REFUQLMYSPVKKI-VQTJNVASSA-N 2 1 329.488 2.582 20 10 EFCDMP CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000846016503 1279979889 /nfs/dbraw/zinc/97/98/89/1279979889.db2.gz UWTTVBZXIIXIHY-HXUWFJFHSA-N 2 1 331.504 2.828 20 10 EFCDMP COc1cccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000846156066 1280039214 /nfs/dbraw/zinc/03/92/14/1280039214.db2.gz RWOZXJLXCXSSQD-XHSDSOJGSA-N 2 1 336.476 2.941 20 10 EFCDMP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1O ZINC000846145505 1280052000 /nfs/dbraw/zinc/05/20/00/1280052000.db2.gz OELFYEURQFJCCZ-GDBMZVCRSA-N 2 1 334.460 2.695 20 10 EFCDMP CCCC[N@H+](C)C[C@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000808455289 1281718027 /nfs/dbraw/zinc/71/80/27/1281718027.db2.gz ZSVZHJIDBNHWNZ-SFHVURJKSA-N 2 1 332.536 2.648 20 10 EFCDMP CCCC[N@@H+](C)C[C@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000808455289 1281718039 /nfs/dbraw/zinc/71/80/39/1281718039.db2.gz ZSVZHJIDBNHWNZ-SFHVURJKSA-N 2 1 332.536 2.648 20 10 EFCDMP C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809700358 1282384944 /nfs/dbraw/zinc/38/49/44/1282384944.db2.gz FBCIMHLYMZATRW-RXVVDRJESA-N 2 1 345.531 2.954 20 10 EFCDMP COc1ccc(N2CCC([NH2+]C[C@H]3CC[N@H+](C(C)C)C3)CC2)cc1 ZINC000809735743 1282436429 /nfs/dbraw/zinc/43/64/29/1282436429.db2.gz QTUAPKWDVBMTTA-QGZVFWFLSA-N 2 1 331.504 2.984 20 10 EFCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809757688 1282458268 /nfs/dbraw/zinc/45/82/68/1282458268.db2.gz VLNCCMXEYDCYLB-UHFFFAOYSA-N 3 1 332.536 2.602 20 10 EFCDMP CCC[N@H+](CCCN(C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809757688 1282458273 /nfs/dbraw/zinc/45/82/73/1282458273.db2.gz VLNCCMXEYDCYLB-UHFFFAOYSA-N 2 1 332.536 2.602 20 10 EFCDMP CCC[N@@H+](CCCN(C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809757688 1282458277 /nfs/dbraw/zinc/45/82/77/1282458277.db2.gz VLNCCMXEYDCYLB-UHFFFAOYSA-N 2 1 332.536 2.602 20 10 EFCDMP CN(CCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)CC[NH+](C)C ZINC000809788832 1282488871 /nfs/dbraw/zinc/48/88/71/1282488871.db2.gz WRFOPTVJNDDVKN-UHFFFAOYSA-N 2 1 346.563 2.992 20 10 EFCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH+](Cc3ccccc3O)CC1)C2 ZINC001172114745 1286025824 /nfs/dbraw/zinc/02/58/24/1286025824.db2.gz PPGVATDOTAPHBS-ACDBMABISA-N 2 1 343.515 2.962 20 10 EFCDMP COC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001172605470 1286199965 /nfs/dbraw/zinc/19/99/65/1286199965.db2.gz XQTUQZAURDSHIO-YJBOKZPZSA-N 2 1 346.471 2.678 20 10 EFCDMP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(Cl)c(F)cc1O ZINC000816610665 1288224792 /nfs/dbraw/zinc/22/47/92/1288224792.db2.gz SWMFDYMJRFQOEE-UHFFFAOYSA-N 2 1 345.890 2.890 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@]4(CCCO4)[C@H]3C3CC3)cc2)CC1 ZINC000816666293 1288235389 /nfs/dbraw/zinc/23/53/89/1288235389.db2.gz JLXQTSPBEXLLCR-RTWAWAEBSA-N 2 1 341.499 2.582 20 10 EFCDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C)ccc3O)CC2)CC1 ZINC000817413952 1288592043 /nfs/dbraw/zinc/59/20/43/1288592043.db2.gz NJORHUSEPOJVII-UHFFFAOYSA-N 2 1 331.504 2.693 20 10 EFCDMP COc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1Cn1cccn1 ZINC000873009524 1289516606 /nfs/dbraw/zinc/51/66/06/1289516606.db2.gz MZVRWISPJZFVDU-UHFFFAOYSA-N 2 1 342.487 2.906 20 10 EFCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876758007 1291008279 /nfs/dbraw/zinc/00/82/79/1291008279.db2.gz HDALQXVNHGRJPP-YLJYHZDGSA-N 2 1 345.531 2.952 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876758007 1291008287 /nfs/dbraw/zinc/00/82/87/1291008287.db2.gz HDALQXVNHGRJPP-YLJYHZDGSA-N 2 1 345.531 2.952 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876758007 1291008296 /nfs/dbraw/zinc/00/82/96/1291008296.db2.gz HDALQXVNHGRJPP-YLJYHZDGSA-N 2 1 345.531 2.952 20 10 EFCDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532704 1291264263 /nfs/dbraw/zinc/26/42/63/1291264263.db2.gz WSPAQSIUBKQLNO-GHTZIAJQSA-N 2 1 343.515 2.564 20 10 EFCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532704 1291264275 /nfs/dbraw/zinc/26/42/75/1291264275.db2.gz WSPAQSIUBKQLNO-GHTZIAJQSA-N 2 1 343.515 2.564 20 10 EFCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532704 1291264280 /nfs/dbraw/zinc/26/42/80/1291264280.db2.gz WSPAQSIUBKQLNO-GHTZIAJQSA-N 2 1 343.515 2.564 20 10 EFCDMP C[N@@H+](Cc1cc(O)c(O)cc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233486380 1312940702 /nfs/dbraw/zinc/94/07/02/1312940702.db2.gz LAKGLXVGMYITQS-MRXNPFEDSA-N 2 1 342.439 2.757 20 10 EFCDMP C[N@H+](Cc1cc(O)c(O)cc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233486380 1312940703 /nfs/dbraw/zinc/94/07/03/1312940703.db2.gz LAKGLXVGMYITQS-MRXNPFEDSA-N 2 1 342.439 2.757 20 10 EFCDMP C[NH+](Cc1cc(O)c(O)cc1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233486380 1312940705 /nfs/dbraw/zinc/94/07/05/1312940705.db2.gz LAKGLXVGMYITQS-MRXNPFEDSA-N 2 1 342.439 2.757 20 10 EFCDMP C[NH+](Cc1cc(O)c(O)cc1O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233486380 1312940707 /nfs/dbraw/zinc/94/07/07/1312940707.db2.gz LAKGLXVGMYITQS-MRXNPFEDSA-N 2 1 342.439 2.757 20 10 EFCDMP C[NH+](C)CC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000132796189 1293708237 /nfs/dbraw/zinc/70/82/37/1293708237.db2.gz GYWLJRTXFUXVCY-UHFFFAOYSA-N 2 1 327.266 2.928 20 10 EFCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775715996 1294241537 /nfs/dbraw/zinc/24/15/37/1294241537.db2.gz OGLIXAWOQYKTLR-WIYYLYMNSA-N 3 1 344.547 2.743 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775715996 1294241538 /nfs/dbraw/zinc/24/15/38/1294241538.db2.gz OGLIXAWOQYKTLR-WIYYLYMNSA-N 3 1 344.547 2.743 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775715996 1294241542 /nfs/dbraw/zinc/24/15/42/1294241542.db2.gz OGLIXAWOQYKTLR-WIYYLYMNSA-N 3 1 344.547 2.743 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOCC34CCCC4)cc2)CC1 ZINC000775734112 1294304400 /nfs/dbraw/zinc/30/44/00/1294304400.db2.gz KXYRLAUSBISXKU-UHFFFAOYSA-N 2 1 329.488 2.583 20 10 EFCDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc(C(C)(C)C)ccc3O)[C@@H]2C1 ZINC001276446183 1313096580 /nfs/dbraw/zinc/09/65/80/1313096580.db2.gz SGZQUNVNMYTNGK-QFBILLFUSA-N 2 1 345.531 2.757 20 10 EFCDMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775830927 1294920765 /nfs/dbraw/zinc/92/07/65/1294920765.db2.gz NKJRLJWYUHPATJ-UTKZUKDTSA-N 2 1 341.499 2.896 20 10 EFCDMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775830927 1294920775 /nfs/dbraw/zinc/92/07/75/1294920775.db2.gz NKJRLJWYUHPATJ-UTKZUKDTSA-N 2 1 341.499 2.896 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOCC4(CCCC4)C3)cc2)CC1 ZINC000776010104 1295676478 /nfs/dbraw/zinc/67/64/78/1295676478.db2.gz YHKCFXJUBNOLJP-UHFFFAOYSA-N 2 1 343.515 2.831 20 10 EFCDMP CC[NH+]1CCN(c2ccc(O[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC001234657820 1313179341 /nfs/dbraw/zinc/17/93/41/1313179341.db2.gz JETJYEVYHTYIOF-OPVJXMOQSA-N 2 1 329.488 2.833 20 10 EFCDMP CC[NH+]1CCN(c2ccc(OC3CC[NH+](CCF)CC3)cc2)CC1 ZINC001234657740 1313179535 /nfs/dbraw/zinc/17/95/35/1313179535.db2.gz HDIBXEFVMROBCG-UHFFFAOYSA-N 2 1 335.467 2.641 20 10 EFCDMP CCC[NH+]1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000305100664 1295910590 /nfs/dbraw/zinc/91/05/90/1295910590.db2.gz BBBMTRFUGIJEDZ-UHFFFAOYSA-N 2 1 349.494 2.751 20 10 EFCDMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001234970829 1313214832 /nfs/dbraw/zinc/21/48/32/1313214832.db2.gz LATHUAYKGUJBQH-UYAOXDASSA-N 2 1 325.456 2.514 20 10 EFCDMP Cc1cc(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001234970829 1313214835 /nfs/dbraw/zinc/21/48/35/1313214835.db2.gz LATHUAYKGUJBQH-UYAOXDASSA-N 2 1 325.456 2.514 20 10 EFCDMP CCN(CC)c1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000105476849 1296111218 /nfs/dbraw/zinc/11/12/18/1296111218.db2.gz PLMNUMAYWDQAMD-UHFFFAOYSA-N 2 1 332.536 2.650 20 10 EFCDMP c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235007842 1313222734 /nfs/dbraw/zinc/22/27/34/1313222734.db2.gz NBNPJJSVQYKUHY-NRFANRHFSA-N 2 1 343.515 2.879 20 10 EFCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235007842 1313222738 /nfs/dbraw/zinc/22/27/38/1313222738.db2.gz NBNPJJSVQYKUHY-NRFANRHFSA-N 2 1 343.515 2.879 20 10 EFCDMP c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235007847 1313222759 /nfs/dbraw/zinc/22/27/59/1313222759.db2.gz NBNPJJSVQYKUHY-OAQYLSRUSA-N 2 1 343.515 2.879 20 10 EFCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235007847 1313222762 /nfs/dbraw/zinc/22/27/62/1313222762.db2.gz NBNPJJSVQYKUHY-OAQYLSRUSA-N 2 1 343.515 2.879 20 10 EFCDMP CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235007368 1313222843 /nfs/dbraw/zinc/22/28/43/1313222843.db2.gz MQPWQFMHBSAYPY-HXUWFJFHSA-N 2 1 331.504 2.735 20 10 EFCDMP CCN(CC)c1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235007368 1313222846 /nfs/dbraw/zinc/22/28/46/1313222846.db2.gz MQPWQFMHBSAYPY-HXUWFJFHSA-N 2 1 331.504 2.735 20 10 EFCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235021933 1313226061 /nfs/dbraw/zinc/22/60/61/1313226061.db2.gz KYBSMVARGONGNZ-FQEVSTJZSA-N 2 1 332.488 2.892 20 10 EFCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235021933 1313226065 /nfs/dbraw/zinc/22/60/65/1313226065.db2.gz KYBSMVARGONGNZ-FQEVSTJZSA-N 2 1 332.488 2.892 20 10 EFCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235023722 1313226887 /nfs/dbraw/zinc/22/68/87/1313226887.db2.gz WGSMFUYCVAUMMX-INIZCTEOSA-N 2 1 344.377 2.613 20 10 EFCDMP COc1cccc2c1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001205164697 1313244035 /nfs/dbraw/zinc/24/40/35/1313244035.db2.gz OPDDXBXQILIWLG-UHFFFAOYSA-N 2 1 337.467 2.663 20 10 EFCDMP Cc1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(C)n1-c1ccccc1 ZINC001205219439 1313253128 /nfs/dbraw/zinc/25/31/28/1313253128.db2.gz DBERONIAPXGYAV-FQEVSTJZSA-N 2 1 327.472 2.770 20 10 EFCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(C(C)(C)C)c1O ZINC001275802747 1296413245 /nfs/dbraw/zinc/41/32/45/1296413245.db2.gz MYNMQHRMIXHUCC-OALUTQOASA-N 2 1 345.531 2.900 20 10 EFCDMP CN1CCOc2cc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)ccc21 ZINC001235158505 1313254572 /nfs/dbraw/zinc/25/45/72/1313254572.db2.gz KNJJNQNXZHHOGL-GOSISDBHSA-N 2 1 329.488 2.869 20 10 EFCDMP COc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(O)cc1Br ZINC001205289565 1313264929 /nfs/dbraw/zinc/26/49/29/1313264929.db2.gz ZBVHLOMAUNDQRP-OAHLLOKOSA-N 2 1 343.265 2.867 20 10 EFCDMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(O)cc1Br ZINC001205289565 1313264931 /nfs/dbraw/zinc/26/49/31/1313264931.db2.gz ZBVHLOMAUNDQRP-OAHLLOKOSA-N 2 1 343.265 2.867 20 10 EFCDMP COc1ccc2c(c1)C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001205340696 1313271863 /nfs/dbraw/zinc/27/18/63/1313271863.db2.gz ZFTTZOKMCXRUCI-UHFFFAOYSA-N 2 1 337.467 2.663 20 10 EFCDMP Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1O ZINC001276080267 1296594742 /nfs/dbraw/zinc/59/47/42/1296594742.db2.gz MZHZESYLNHLMDF-HXUWFJFHSA-N 2 1 331.504 2.550 20 10 EFCDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000925574260 1296858758 /nfs/dbraw/zinc/85/87/58/1296858758.db2.gz CVRJQXXISLEWDQ-DYVFJYSZSA-N 2 1 339.430 2.987 20 10 EFCDMP CN1CCOc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc21 ZINC001235424346 1313318348 /nfs/dbraw/zinc/31/83/48/1313318348.db2.gz HBSLPTUWVQGGAF-QZTJIDSGSA-N 2 1 329.488 2.727 20 10 EFCDMP C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)CC[C@@H]1C[NH3+] ZINC001205602677 1313321281 /nfs/dbraw/zinc/32/12/81/1313321281.db2.gz LKTVYNSLWVMLQH-VXGBXAGGSA-N 2 1 327.266 2.962 20 10 EFCDMP C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)CC[C@@H]1C[NH3+] ZINC001205626716 1313325532 /nfs/dbraw/zinc/32/55/32/1313325532.db2.gz IJOGNDCUEKQBAN-VXGBXAGGSA-N 2 1 327.266 2.962 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c2ccccc21 ZINC001205665626 1313334192 /nfs/dbraw/zinc/33/41/92/1313334192.db2.gz SWRSZAMMLKERRS-HXUWFJFHSA-N 2 1 327.472 2.582 20 10 EFCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001205726633 1313345662 /nfs/dbraw/zinc/34/56/62/1313345662.db2.gz VZEWCGXMPJGYQM-HXUWFJFHSA-N 2 1 326.440 2.735 20 10 EFCDMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001205819384 1313361009 /nfs/dbraw/zinc/36/10/09/1313361009.db2.gz XLKXNWKXHSLGLM-RHSMWYFYSA-N 2 1 329.488 2.650 20 10 EFCDMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001205819384 1313361015 /nfs/dbraw/zinc/36/10/15/1313361015.db2.gz XLKXNWKXHSLGLM-RHSMWYFYSA-N 2 1 329.488 2.650 20 10 EFCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001205819391 1313361040 /nfs/dbraw/zinc/36/10/40/1313361040.db2.gz XLKXNWKXHSLGLM-YOEHRIQHSA-N 2 1 329.488 2.650 20 10 EFCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001205819391 1313361042 /nfs/dbraw/zinc/36/10/42/1313361042.db2.gz XLKXNWKXHSLGLM-YOEHRIQHSA-N 2 1 329.488 2.650 20 10 EFCDMP C[N@@H+](CCOc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235675139 1313372541 /nfs/dbraw/zinc/37/25/41/1313372541.db2.gz JTXKRVHCEYHEBJ-UHFFFAOYSA-N 2 1 325.456 2.607 20 10 EFCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001235677810 1313372766 /nfs/dbraw/zinc/37/27/66/1313372766.db2.gz IPRAJBKVGKZKOW-OAQYLSRUSA-N 2 1 342.531 2.547 20 10 EFCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001235677810 1313372769 /nfs/dbraw/zinc/37/27/69/1313372769.db2.gz IPRAJBKVGKZKOW-OAQYLSRUSA-N 2 1 342.531 2.547 20 10 EFCDMP C[C@@H]1C[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CCC[C@H]1C[NH3+] ZINC001205991411 1313388484 /nfs/dbraw/zinc/38/84/84/1313388484.db2.gz AOJALUVMGXOSMN-WBVHZDCISA-N 2 1 343.515 2.898 20 10 EFCDMP Cc1cccc(CC[N@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2O)c1 ZINC001235838880 1313406876 /nfs/dbraw/zinc/40/68/76/1313406876.db2.gz DGFYEFZUTZODBC-UHFFFAOYSA-N 2 1 339.483 2.785 20 10 EFCDMP CC[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@@H]1CCC[NH2+]C1 ZINC001236005826 1313430103 /nfs/dbraw/zinc/43/01/03/1313430103.db2.gz PIEDESJJDSFIQL-QGZVFWFLSA-N 2 1 329.488 2.665 20 10 EFCDMP CC[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@@H]1CCC[NH2+]C1 ZINC001236005826 1313430105 /nfs/dbraw/zinc/43/01/05/1313430105.db2.gz PIEDESJJDSFIQL-QGZVFWFLSA-N 2 1 329.488 2.665 20 10 EFCDMP Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1Br ZINC001235956469 1313422953 /nfs/dbraw/zinc/42/29/53/1313422953.db2.gz DSUDIZMWYMUBHS-GFCCVEGCSA-N 2 1 327.266 2.895 20 10 EFCDMP Cc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1Br ZINC001235960624 1313423083 /nfs/dbraw/zinc/42/30/83/1313423083.db2.gz VNBKXLOJIDNPNH-QHBPRCKVSA-N 2 1 325.250 2.632 20 10 EFCDMP Cc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1Br ZINC001235960624 1313423086 /nfs/dbraw/zinc/42/30/86/1313423086.db2.gz VNBKXLOJIDNPNH-QHBPRCKVSA-N 2 1 325.250 2.632 20 10 EFCDMP Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1Br ZINC001235956470 1313423285 /nfs/dbraw/zinc/42/32/85/1313423285.db2.gz DSUDIZMWYMUBHS-LBPRGKRZSA-N 2 1 327.266 2.895 20 10 EFCDMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001206344679 1313439184 /nfs/dbraw/zinc/43/91/84/1313439184.db2.gz WOMSKMGQHXINJF-FQEVSTJZSA-N 2 1 347.478 2.744 20 10 EFCDMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3O)C2)C1 ZINC001236076542 1313438538 /nfs/dbraw/zinc/43/85/38/1313438538.db2.gz BGYDDAHORBLEGU-LJQANCHMSA-N 2 1 337.467 2.667 20 10 EFCDMP C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219761 1313457549 /nfs/dbraw/zinc/45/75/49/1313457549.db2.gz XQKBIOQETJRGFT-FUHWJXTLSA-N 2 1 337.895 2.878 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219761 1313457551 /nfs/dbraw/zinc/45/75/51/1313457551.db2.gz XQKBIOQETJRGFT-FUHWJXTLSA-N 2 1 337.895 2.878 20 10 EFCDMP COc1cccc2c1CC[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236239700 1313459471 /nfs/dbraw/zinc/45/94/71/1313459471.db2.gz IAWGDAQUTNQARX-UHFFFAOYSA-N 2 1 337.467 2.663 20 10 EFCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001206554034 1313474584 /nfs/dbraw/zinc/47/45/84/1313474584.db2.gz AKMVCNOJCBOLFJ-HXUWFJFHSA-N 2 1 331.504 2.599 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c2ccccc2n1C ZINC001206810918 1313514597 /nfs/dbraw/zinc/51/45/97/1313514597.db2.gz QYXDJNTVEZVKLV-CABCVRRESA-N 2 1 343.471 2.914 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c2ccccc2n1C ZINC001206810918 1313514601 /nfs/dbraw/zinc/51/46/01/1313514601.db2.gz QYXDJNTVEZVKLV-CABCVRRESA-N 2 1 343.471 2.914 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c2ccccc2n1C ZINC001206811154 1313514761 /nfs/dbraw/zinc/51/47/61/1313514761.db2.gz QYXDJNTVEZVKLV-LSDHHAIUSA-N 2 1 343.471 2.914 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c2ccccc2n1C ZINC001206811154 1313514764 /nfs/dbraw/zinc/51/47/64/1313514764.db2.gz QYXDJNTVEZVKLV-LSDHHAIUSA-N 2 1 343.471 2.914 20 10 EFCDMP CN(Cc1ccncc1)Cc1ccc(N2CCN(C)CC2)cc1F ZINC001236929181 1313555291 /nfs/dbraw/zinc/55/52/91/1313555291.db2.gz AKEWWDTVIHPWGQ-UHFFFAOYSA-N 2 1 328.435 2.605 20 10 EFCDMP CO[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236934000 1313556837 /nfs/dbraw/zinc/55/68/37/1313556837.db2.gz BMKFEEUBTWCPMT-GOSISDBHSA-N 2 1 335.467 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(CO)CC3)c(F)c2)CC1 ZINC001236933056 1313556923 /nfs/dbraw/zinc/55/69/23/1313556923.db2.gz UAROOQOPOMSZIR-FQEVSTJZSA-N 2 1 349.494 2.562 20 10 EFCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C[C@H]1CCCCO1 ZINC001236938056 1313557683 /nfs/dbraw/zinc/55/76/83/1313557683.db2.gz IXDHDZFUMUFLOX-GOSISDBHSA-N 2 1 335.467 2.578 20 10 EFCDMP CCCO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236940913 1313557942 /nfs/dbraw/zinc/55/79/42/1313557942.db2.gz WJGYXADPELCZAT-SFHVURJKSA-N 2 1 335.467 2.578 20 10 EFCDMP CO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)[C@H](C)C1 ZINC001236944806 1313558839 /nfs/dbraw/zinc/55/88/39/1313558839.db2.gz GEOIFUZTXBYONK-CRAIPNDOSA-N 2 1 335.467 2.577 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c2ccccc2n1C ZINC001237080194 1313582943 /nfs/dbraw/zinc/58/29/43/1313582943.db2.gz DSVXLUISVHIUJT-FQEVSTJZSA-N 2 1 343.471 2.916 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c2ccccc2n1C ZINC001237080194 1313582947 /nfs/dbraw/zinc/58/29/47/1313582947.db2.gz DSVXLUISVHIUJT-FQEVSTJZSA-N 2 1 343.471 2.916 20 10 EFCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]2C1 ZINC001237051137 1313576828 /nfs/dbraw/zinc/57/68/28/1313576828.db2.gz CZDPVYHNTLEXDH-OCCSQVGLSA-N 2 1 344.377 2.717 20 10 EFCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]2C1 ZINC001237051137 1313576830 /nfs/dbraw/zinc/57/68/30/1313576830.db2.gz CZDPVYHNTLEXDH-OCCSQVGLSA-N 2 1 344.377 2.717 20 10 EFCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]2C1 ZINC001237051137 1313576833 /nfs/dbraw/zinc/57/68/33/1313576833.db2.gz CZDPVYHNTLEXDH-OCCSQVGLSA-N 2 1 344.377 2.717 20 10 EFCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(O)cccc3OC(F)(F)F)C[C@@H]2C1 ZINC001237118118 1313589491 /nfs/dbraw/zinc/58/94/91/1313589491.db2.gz VGGHFLMXRGRLNA-NEPJUHHUSA-N 2 1 330.350 2.674 20 10 EFCDMP Oc1c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001237390499 1313635101 /nfs/dbraw/zinc/63/51/01/1313635101.db2.gz IRXDQVSWMDNDEU-VQIMIIECSA-N 2 1 341.499 2.665 20 10 EFCDMP Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237414967 1313641072 /nfs/dbraw/zinc/64/10/72/1313641072.db2.gz NSARNFDYRPXPDH-DOMZBBRYSA-N 2 1 344.377 2.907 20 10 EFCDMP COc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(O)c(OC)c1 ZINC001237677151 1313690165 /nfs/dbraw/zinc/69/01/65/1313690165.db2.gz XNQNSEKTXAINLV-UHFFFAOYSA-N 2 1 336.476 2.962 20 10 EFCDMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1O ZINC001237687105 1313692421 /nfs/dbraw/zinc/69/24/21/1313692421.db2.gz WMEJZQCUQBEQKA-DLBZAZTESA-N 2 1 337.895 2.564 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1(C)CC[NH+](C)CC1 ZINC001208107530 1313848558 /nfs/dbraw/zinc/84/85/58/1313848558.db2.gz VKTUILYZECDXTI-UHFFFAOYSA-N 2 1 331.504 2.687 20 10 EFCDMP CCOc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863645892 1302667709 /nfs/dbraw/zinc/66/77/09/1302667709.db2.gz DQKGBCIBOOSDBZ-STQMWFEESA-N 2 1 332.366 2.750 20 10 EFCDMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C)cc1O ZINC000794811240 1303141981 /nfs/dbraw/zinc/14/19/81/1303141981.db2.gz WJHPFPLHHWYDRR-GOSISDBHSA-N 2 1 347.503 2.684 20 10 EFCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1c(F)cncc1F ZINC000796527671 1305983805 /nfs/dbraw/zinc/98/38/05/1305983805.db2.gz WTXMLPGEWKKKCX-CQSZACIVSA-N 2 1 346.425 2.962 20 10 EFCDMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC001276635623 1314144677 /nfs/dbraw/zinc/14/46/77/1314144677.db2.gz RARCXLZURFEPEX-OAQYLSRUSA-N 2 1 343.515 2.831 20 10 EFCDMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC001276635623 1314144681 /nfs/dbraw/zinc/14/46/81/1314144681.db2.gz RARCXLZURFEPEX-OAQYLSRUSA-N 2 1 343.515 2.831 20 10 EFCDMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC001276635623 1314144684 /nfs/dbraw/zinc/14/46/84/1314144684.db2.gz RARCXLZURFEPEX-OAQYLSRUSA-N 2 1 343.515 2.831 20 10 EFCDMP Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001276826842 1311070634 /nfs/dbraw/zinc/07/06/34/1311070634.db2.gz ZGOZMWKQIWYSBM-HXUWFJFHSA-N 2 1 342.439 2.725 20 10 EFCDMP Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276826842 1311070637 /nfs/dbraw/zinc/07/06/37/1311070637.db2.gz ZGOZMWKQIWYSBM-HXUWFJFHSA-N 2 1 342.439 2.725 20 10 EFCDMP COC(=O)c1c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c2ccccc2n1C ZINC001222147842 1311092012 /nfs/dbraw/zinc/09/20/12/1311092012.db2.gz BVDGJSKMUVIGAC-HXUWFJFHSA-N 2 1 341.455 2.540 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c2ccccc2n1C ZINC001222147842 1311092015 /nfs/dbraw/zinc/09/20/15/1311092015.db2.gz BVDGJSKMUVIGAC-HXUWFJFHSA-N 2 1 341.455 2.540 20 10 EFCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1O)C2 ZINC001231591399 1312528410 /nfs/dbraw/zinc/52/84/10/1312528410.db2.gz BSUXPTURGCLUMJ-CTNGQTDRSA-N 2 1 344.499 2.881 20 10 EFCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C)c1O)C2 ZINC001231591399 1312528415 /nfs/dbraw/zinc/52/84/15/1312528415.db2.gz BSUXPTURGCLUMJ-CTNGQTDRSA-N 2 1 344.499 2.881 20 10 EFCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C)c1O)C2 ZINC001231591399 1312528422 /nfs/dbraw/zinc/52/84/22/1312528422.db2.gz BSUXPTURGCLUMJ-CTNGQTDRSA-N 2 1 344.499 2.881 20 10 EFCDMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(N4CCOCC4)c(Cl)c3)C2)C1 ZINC001232199063 1312647246 /nfs/dbraw/zinc/64/72/46/1312647246.db2.gz BCKSZNAOXKCRQZ-IBGZPJMESA-N 2 1 349.906 2.704 20 10 EFCDMP COc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)cc1 ZINC001246521756 1314641716 /nfs/dbraw/zinc/64/17/16/1314641716.db2.gz QREIVDICJNHATB-IEBWSBKVSA-N 2 1 331.504 2.984 20 10 EFCDMP COc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)c(C)c1 ZINC001246935068 1314710657 /nfs/dbraw/zinc/71/06/57/1314710657.db2.gz QGAFGACWKQJRGJ-IEBWSBKVSA-N 2 1 331.504 2.902 20 10 EFCDMP C[C@H]1C[C@@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246997998 1314727598 /nfs/dbraw/zinc/72/75/98/1314727598.db2.gz WUMJYLAAWVXAKT-ZFWWWQNUSA-N 2 1 343.393 2.848 20 10 EFCDMP COC(=O)Cc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(O)c1 ZINC001249201150 1315032763 /nfs/dbraw/zinc/03/27/63/1315032763.db2.gz HNLOERVQTOEEGE-UHFFFAOYSA-N 2 1 348.487 2.660 20 10 EFCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001249258444 1315040954 /nfs/dbraw/zinc/04/09/54/1315040954.db2.gz ICUNXLIAOQJWEN-FOIQADDNSA-N 2 1 328.456 2.960 20 10 EFCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001249258444 1315040959 /nfs/dbraw/zinc/04/09/59/1315040959.db2.gz ICUNXLIAOQJWEN-FOIQADDNSA-N 2 1 328.456 2.960 20 10 EFCDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(N)cc3)c2)CCO1 ZINC001262487778 1316469190 /nfs/dbraw/zinc/46/91/90/1316469190.db2.gz FQQFGDFFKIZSNM-INIZCTEOSA-N 2 1 325.456 2.779 20 10 EFCDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(N)cc3)c2)CCO1 ZINC001262487778 1316469193 /nfs/dbraw/zinc/46/91/93/1316469193.db2.gz FQQFGDFFKIZSNM-INIZCTEOSA-N 2 1 325.456 2.779 20 10 EFCDMP CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(C)C ZINC001319850027 1329013255 /nfs/dbraw/zinc/01/32/55/1329013255.db2.gz BDUYODLPLNIVEA-ZOCIIQOWSA-N 2 1 349.494 2.727 20 10 EFCDMP CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(C)C ZINC001319850024 1329013492 /nfs/dbraw/zinc/01/34/92/1329013492.db2.gz BDUYODLPLNIVEA-MDASCCDHSA-N 2 1 349.494 2.727 20 10 EFCDMP CO[C@]1(C)CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001321202425 1329356233 /nfs/dbraw/zinc/35/62/33/1329356233.db2.gz LRUHGWDGDVCYPP-HXUWFJFHSA-N 2 1 349.494 2.969 20 10 EFCDMP CO[C@]1(C)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001321202425 1329356234 /nfs/dbraw/zinc/35/62/34/1329356234.db2.gz LRUHGWDGDVCYPP-HXUWFJFHSA-N 2 1 349.494 2.969 20 10 EFCDMP C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322338438 1329449172 /nfs/dbraw/zinc/44/91/72/1329449172.db2.gz KHYPVVCSJTZLMQ-AEFFLSMTSA-N 2 1 349.494 2.703 20 10 EFCDMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322338438 1329449175 /nfs/dbraw/zinc/44/91/75/1329449175.db2.gz KHYPVVCSJTZLMQ-AEFFLSMTSA-N 2 1 349.494 2.703 20 10 EFCDMP C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323439857 1329543369 /nfs/dbraw/zinc/54/33/69/1329543369.db2.gz BXEVSOPNOIBAKQ-QGZVFWFLSA-N 2 1 348.510 2.542 20 10 EFCDMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001325301228 1329679022 /nfs/dbraw/zinc/67/90/22/1329679022.db2.gz YNTOEMGDCJBRMY-IAGOWNOFSA-N 2 1 349.494 2.872 20 10 EFCDMP C[C@@H]1CCSCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326279280 1329743935 /nfs/dbraw/zinc/74/39/35/1329743935.db2.gz GKFVBCDXNYEMPE-OAHLLOKOSA-N 2 1 337.508 2.905 20 10 EFCDMP C[C@@H]1CCSCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326279280 1329743937 /nfs/dbraw/zinc/74/39/37/1329743937.db2.gz GKFVBCDXNYEMPE-OAHLLOKOSA-N 2 1 337.508 2.905 20 10 EFCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H]1CC[NH3+] ZINC001328644444 1330611554 /nfs/dbraw/zinc/61/15/54/1330611554.db2.gz ZDRKVGHUTNWBHN-QFBILLFUSA-N 3 1 348.510 2.527 20 10 EFCDMP C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1CC[NH3+] ZINC001328644444 1330611557 /nfs/dbraw/zinc/61/15/57/1330611557.db2.gz ZDRKVGHUTNWBHN-QFBILLFUSA-N 3 1 348.510 2.527 20 10 EFCDMP CO[C@](C)([C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001328659920 1330612980 /nfs/dbraw/zinc/61/29/80/1330612980.db2.gz QEECXJGJEYLMBT-MGPUTAFESA-N 2 1 349.494 2.871 20 10 EFCDMP CC(C)OCC(C)(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331471236 1330841272 /nfs/dbraw/zinc/84/12/72/1330841272.db2.gz YRMVHDLQQJLDDS-UHFFFAOYSA-N 2 1 337.483 2.871 20 10 EFCDMP Cc1cc(N(C)C)ccc1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001333734297 1331204683 /nfs/dbraw/zinc/20/46/83/1331204683.db2.gz NBJNCIAIUAIFEK-UHFFFAOYSA-N 2 1 331.504 2.794 20 10 EFCDMP Cc1ncccc1CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001333842978 1331224331 /nfs/dbraw/zinc/22/43/31/1331224331.db2.gz UQZJFACRGIKRCX-UHFFFAOYSA-N 2 1 342.462 2.613 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCc3ccco3)cc2F)CC1 ZINC001346854276 1332697253 /nfs/dbraw/zinc/69/72/53/1332697253.db2.gz BNVBKQKPCRNIMD-UHFFFAOYSA-N 2 1 331.435 2.893 20 10 EFCDMP CCc1cccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)c1O ZINC000848884799 1334960384 /nfs/dbraw/zinc/96/03/84/1334960384.db2.gz FWTCWENMQXMDKN-UHFFFAOYSA-N 2 1 327.428 2.680 20 10 EFCDMP CCOC(=O)CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000848927555 1334991847 /nfs/dbraw/zinc/99/18/47/1334991847.db2.gz HQVCWMGNMYCRRN-UHFFFAOYSA-N 2 1 347.503 2.602 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1F ZINC000848929130 1334993923 /nfs/dbraw/zinc/99/39/23/1334993923.db2.gz AXGRKEOHPODVQW-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP CN(C)c1ccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc1F ZINC000848929130 1334993929 /nfs/dbraw/zinc/99/39/29/1334993929.db2.gz AXGRKEOHPODVQW-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCC1 ZINC000849349754 1335596536 /nfs/dbraw/zinc/59/65/36/1335596536.db2.gz IFADHGBQDXSAHC-UHFFFAOYSA-N 2 1 332.448 2.946 20 10 EFCDMP COc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000178440039 715911825 /nfs/dbraw/zinc/91/18/25/715911825.db2.gz NSIPILWVXRHIAS-JLYLLQBASA-N 2 1 329.488 2.879 20 10 EFCDMP COc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1OC ZINC000892591757 718318377 /nfs/dbraw/zinc/31/83/77/718318377.db2.gz JIUYZJDSTFDWTC-GASCZTMLSA-N 2 1 336.476 2.867 20 10 EFCDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000154470827 728769606 /nfs/dbraw/zinc/76/96/06/728769606.db2.gz XEYYAELZDIMXTQ-GOSISDBHSA-N 2 1 332.536 2.821 20 10 EFCDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(O)c1OC ZINC000895479793 724155217 /nfs/dbraw/zinc/15/52/17/724155217.db2.gz VNKBVPSEUURJOQ-HNNXBMFYSA-N 2 1 334.460 2.621 20 10 EFCDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158256934 728326080 /nfs/dbraw/zinc/32/60/80/728326080.db2.gz JCZMEXBCGTYKEH-CVEARBPZSA-N 2 1 335.467 2.655 20 10 EFCDMP COC(=O)c1c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c2cc(F)ccc2n1C ZINC001578850252 1090453701 /nfs/dbraw/zinc/45/37/01/1090453701.db2.gz BNYNZTBMAKOOJK-MRXNPFEDSA-N 2 1 349.450 2.909 20 10 EFCDMP COC(=O)c1c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c2cc(F)ccc2n1C ZINC001578850252 1090453703 /nfs/dbraw/zinc/45/37/03/1090453703.db2.gz BNYNZTBMAKOOJK-MRXNPFEDSA-N 2 1 349.450 2.909 20 10 EFCDMP Cc1cc2c[nH+]c(NCc3ccc(N4CC[NH+](C)CC4)cc3)nc2[nH]1 ZINC001167423429 1101574154 /nfs/dbraw/zinc/57/41/54/1101574154.db2.gz ZHERXZUQPPCVEG-UHFFFAOYSA-N 2 1 336.443 2.582 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC001206810781 1101679212 /nfs/dbraw/zinc/67/92/12/1101679212.db2.gz PLPYOZVFYMDNDH-WDEREUQCSA-N 2 1 343.265 2.723 20 10 EFCDMP COc1cc(O)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Br)c1 ZINC001206810781 1101679215 /nfs/dbraw/zinc/67/92/15/1101679215.db2.gz PLPYOZVFYMDNDH-WDEREUQCSA-N 2 1 343.265 2.723 20 10 EFCDMP C[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000841060593 1102917511 /nfs/dbraw/zinc/91/75/11/1102917511.db2.gz NKTBKJOPPVRACS-GFCCVEGCSA-N 2 1 326.282 2.876 20 10 EFCDMP CCC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CC[NH2+]C1 ZINC001236834338 1118164327 /nfs/dbraw/zinc/16/43/27/1118164327.db2.gz HRZNFHZMDQRQIW-GFCCVEGCSA-N 2 1 327.266 2.976 20 10 EFCDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1O ZINC000183433488 1118725773 /nfs/dbraw/zinc/72/57/73/1118725773.db2.gz DNZFOKOQZZLDBX-QGZVFWFLSA-N 2 1 339.483 2.990 20 10 EFCDMP Cc1cc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)ccc1N(C)C ZINC000294362494 241044929 /nfs/dbraw/zinc/04/49/29/241044929.db2.gz ZZAFUTJFHMEPPZ-LJQANCHMSA-N 2 1 331.504 2.605 20 10 EFCDMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2c(cc1O)CCCC2 ZINC000185116304 296122586 /nfs/dbraw/zinc/12/25/86/296122586.db2.gz NXLDKQILWABFAN-OAHLLOKOSA-N 2 1 332.488 2.768 20 10 EFCDMP COc1cccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1O ZINC000092587380 472943114 /nfs/dbraw/zinc/94/31/14/472943114.db2.gz OEGQGANRVRURCF-IYBDPMFKSA-N 2 1 348.487 2.722 20 10 EFCDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000265182847 474168805 /nfs/dbraw/zinc/16/88/05/474168805.db2.gz MBACJSZXEYGOCQ-PXNSSMCTSA-N 2 1 333.520 2.979 20 10 EFCDMP Oc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000227437242 474246508 /nfs/dbraw/zinc/24/65/08/474246508.db2.gz GFUJDVMTBJUZKB-LLVKDONJSA-N 2 1 325.250 2.729 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278455653 474648432 /nfs/dbraw/zinc/64/84/32/474648432.db2.gz MAHVNOFRJMESDP-ZDUSSCGKSA-N 2 1 332.444 2.704 20 10 EFCDMP COc1c(O)c(C[NH2+]Cc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000278551977 474696516 /nfs/dbraw/zinc/69/65/16/474696516.db2.gz ZHYAIXFMTYQBNR-UHFFFAOYSA-N 2 1 345.399 2.660 20 10 EFCDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834023 475045751 /nfs/dbraw/zinc/04/57/51/475045751.db2.gz LEPAYBDBLBRCQE-VCBZYWHSSA-N 2 1 349.494 2.605 20 10 EFCDMP Cc1cc(O)c(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000367722782 477656175 /nfs/dbraw/zinc/65/61/75/477656175.db2.gz RLJJYBDRYLCPLW-IBGZPJMESA-N 2 1 331.504 2.609 20 10 EFCDMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(cc1O)CCCC2 ZINC000368324741 477798423 /nfs/dbraw/zinc/79/84/23/477798423.db2.gz UDSGKOIAHRKDNX-JCGIZDLHSA-N 2 1 330.472 2.785 20 10 EFCDMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc2c(cc1O)CCCC2 ZINC000368324741 477798431 /nfs/dbraw/zinc/79/84/31/477798431.db2.gz UDSGKOIAHRKDNX-JCGIZDLHSA-N 2 1 330.472 2.785 20 10 EFCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)OCO2 ZINC000157931651 534449481 /nfs/dbraw/zinc/44/94/81/534449481.db2.gz WVFJGNIEIAKBED-CZUORRHYSA-N 2 1 330.428 2.570 20 10 EFCDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)OCO2 ZINC000157931651 534449485 /nfs/dbraw/zinc/44/94/85/534449485.db2.gz WVFJGNIEIAKBED-CZUORRHYSA-N 2 1 330.428 2.570 20 10 EFCDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)OCO2 ZINC000157931651 534449493 /nfs/dbraw/zinc/44/94/93/534449493.db2.gz WVFJGNIEIAKBED-CZUORRHYSA-N 2 1 330.428 2.570 20 10 EFCDMP C[C@H]1C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2c1c(F)ccc2O ZINC000756533533 575756135 /nfs/dbraw/zinc/75/61/35/575756135.db2.gz IOLMWLIGAJZRRC-YOEHRIQHSA-N 2 1 349.494 2.943 20 10 EFCDMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2c1c(F)ccc2O ZINC000756565119 575763248 /nfs/dbraw/zinc/76/32/48/575763248.db2.gz VONBHCCLYSBNJI-IIAWOOMASA-N 2 1 336.451 2.906 20 10 EFCDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c(O)c1C ZINC000756563298 575763256 /nfs/dbraw/zinc/76/32/56/575763256.db2.gz OCJOYYPENBJNNS-INIZCTEOSA-N 2 1 347.503 2.602 20 10 EFCDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850165 577250002 /nfs/dbraw/zinc/25/00/02/577250002.db2.gz OLBZFCFOBMFHJM-UHFFFAOYSA-N 2 1 343.431 2.880 20 10 EFCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2c(cc1O)CCCC2 ZINC000768461438 577275761 /nfs/dbraw/zinc/27/57/61/577275761.db2.gz CWNRPXBBYYEAGG-SVFBPWRDSA-N 2 1 344.499 2.955 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000769471338 577365037 /nfs/dbraw/zinc/36/50/37/577365037.db2.gz SSAQJWCBMNXSNK-PXNSSMCTSA-N 2 1 331.504 2.828 20 10 EFCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000769471338 577365038 /nfs/dbraw/zinc/36/50/38/577365038.db2.gz SSAQJWCBMNXSNK-PXNSSMCTSA-N 2 1 331.504 2.828 20 10 EFCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000769471338 577365039 /nfs/dbraw/zinc/36/50/39/577365039.db2.gz SSAQJWCBMNXSNK-PXNSSMCTSA-N 2 1 331.504 2.828 20 10 EFCDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769470634 577365098 /nfs/dbraw/zinc/36/50/98/577365098.db2.gz MLYQOMSBTQJHAE-FUHWJXTLSA-N 2 1 349.494 2.967 20 10 EFCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769470634 577365099 /nfs/dbraw/zinc/36/50/99/577365099.db2.gz MLYQOMSBTQJHAE-FUHWJXTLSA-N 2 1 349.494 2.967 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769470634 577365101 /nfs/dbraw/zinc/36/51/01/577365101.db2.gz MLYQOMSBTQJHAE-FUHWJXTLSA-N 2 1 349.494 2.967 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769470634 577365102 /nfs/dbraw/zinc/36/51/02/577365102.db2.gz MLYQOMSBTQJHAE-FUHWJXTLSA-N 2 1 349.494 2.967 20 10 EFCDMP C[C@@H](C[NH+]1CCC(C)CC1)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850386194 1250457355 /nfs/dbraw/zinc/45/73/55/1250457355.db2.gz HFRRYKBIFCMTLW-IBGZPJMESA-N 2 1 344.547 2.648 20 10 EFCDMP CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C12CCC2 ZINC000825104221 1278400162 /nfs/dbraw/zinc/40/01/62/1278400162.db2.gz RGMYYMVQTMHWCE-WOJBJXKFSA-N 2 1 343.515 2.828 20 10 EFCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000702566660 1271495378 /nfs/dbraw/zinc/49/53/78/1271495378.db2.gz MTAIQLHCVXGHQO-YWZLYKJASA-N 2 1 344.430 2.819 20 10 EFCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000702566660 1271495384 /nfs/dbraw/zinc/49/53/84/1271495384.db2.gz MTAIQLHCVXGHQO-YWZLYKJASA-N 2 1 344.430 2.819 20 10 EFCDMP CCc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000702652458 1271600813 /nfs/dbraw/zinc/60/08/13/1271600813.db2.gz KZQWTDOWYUROJV-OAQYLSRUSA-N 2 1 340.467 2.681 20 10 EFCDMP CCc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000702652458 1271600819 /nfs/dbraw/zinc/60/08/19/1271600819.db2.gz KZQWTDOWYUROJV-OAQYLSRUSA-N 2 1 340.467 2.681 20 10 EFCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Br)ccc1O)C2 ZINC001169107495 1272700077 /nfs/dbraw/zinc/70/00/77/1272700077.db2.gz IBFUFJFCFLVKOX-ZSOGYDGISA-N 2 1 325.250 2.870 20 10 EFCDMP COc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC001169154406 1272715852 /nfs/dbraw/zinc/71/58/52/1272715852.db2.gz PPRRQXPZWOUPGJ-BCDXTJNWSA-N 2 1 329.488 2.751 20 10 EFCDMP COc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1 ZINC001169154406 1272715862 /nfs/dbraw/zinc/71/58/62/1272715862.db2.gz PPRRQXPZWOUPGJ-BCDXTJNWSA-N 2 1 329.488 2.751 20 10 EFCDMP Oc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169923891 1273264221 /nfs/dbraw/zinc/26/42/21/1273264221.db2.gz KMNRIUZJMGJMIF-GOSISDBHSA-N 2 1 346.471 2.632 20 10 EFCDMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817888604 1276347628 /nfs/dbraw/zinc/34/76/28/1276347628.db2.gz MZJCULLJRUEHOJ-HOTGVXAUSA-N 2 1 343.393 2.511 20 10 EFCDMP CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817894929 1276364321 /nfs/dbraw/zinc/36/43/21/1276364321.db2.gz PFLFKJHRVOEERQ-PMACEKPBSA-N 2 1 331.504 2.516 20 10 EFCDMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cc2F)CC1 ZINC000817902644 1276367610 /nfs/dbraw/zinc/36/76/10/1276367610.db2.gz VVKUIMFIBWJEAN-PKOBYXMFSA-N 2 1 348.510 2.575 20 10 EFCDMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817968510 1276411791 /nfs/dbraw/zinc/41/17/91/1276411791.db2.gz KREULMFJAHLOJC-LSDHHAIUSA-N 2 1 337.895 2.969 20 10 EFCDMP COC[C@]1(C[NH2+][C@H](C)c2cc(Br)ccc2O)CCC[NH2+]1 ZINC000817975533 1276416127 /nfs/dbraw/zinc/41/61/27/1276416127.db2.gz WGATVGFYXVDAIO-IAQYHMDHSA-N 2 1 343.265 2.574 20 10 EFCDMP C[NH+]1CCN(c2ccc(CNCC(C)(C)C[NH+]3CCCC3)cc2)CC1 ZINC000791010721 1277905199 /nfs/dbraw/zinc/90/51/99/1277905199.db2.gz IUANQVNOFDZMKU-UHFFFAOYSA-N 2 1 344.547 2.650 20 10 EFCDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)C1 ZINC000844902512 1279323162 /nfs/dbraw/zinc/32/31/62/1279323162.db2.gz OIPDXHLPNHBUAF-HWWQOWPSSA-N 2 1 342.842 2.903 20 10 EFCDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)C1 ZINC000844902512 1279323174 /nfs/dbraw/zinc/32/31/74/1279323174.db2.gz OIPDXHLPNHBUAF-HWWQOWPSSA-N 2 1 342.842 2.903 20 10 EFCDMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(O)c1 ZINC000844902542 1279323738 /nfs/dbraw/zinc/32/37/38/1279323738.db2.gz OWKBGZLTGCPXIB-FRQCXROJSA-N 2 1 334.460 2.509 20 10 EFCDMP CCN(CC)c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000809734186 1282412997 /nfs/dbraw/zinc/41/29/97/1282412997.db2.gz AXAKSVAUESQTAG-UHFFFAOYSA-N 2 1 346.563 2.991 20 10 EFCDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(C)c(C)cc1O ZINC000809737779 1282437231 /nfs/dbraw/zinc/43/72/31/1282437231.db2.gz KQEPWPJEGODYIZ-LJQANCHMSA-N 2 1 333.520 2.857 20 10 EFCDMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(Cl)c1O ZINC000809737938 1282437406 /nfs/dbraw/zinc/43/74/06/1282437406.db2.gz MSWZIWWYGJZKOP-MRXNPFEDSA-N 2 1 339.911 2.894 20 10 EFCDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(Cl)c1O ZINC000809737938 1282437411 /nfs/dbraw/zinc/43/74/11/1282437411.db2.gz MSWZIWWYGJZKOP-MRXNPFEDSA-N 2 1 339.911 2.894 20 10 EFCDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000809738747 1282439077 /nfs/dbraw/zinc/43/90/77/1282439077.db2.gz HTUOTMUJESZBAV-UHFFFAOYSA-N 2 1 328.412 2.815 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]3(C)CCCO)cc2)CC1 ZINC000809756126 1282458330 /nfs/dbraw/zinc/45/83/30/1282458330.db2.gz DGZLEJQRPXGRST-HXUWFJFHSA-N 2 1 331.504 2.565 20 10 EFCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120912 1286030181 /nfs/dbraw/zinc/03/01/81/1286030181.db2.gz HFDWUYJVCSSGIX-WKCHPHFGSA-N 2 1 343.515 2.970 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120912 1286030183 /nfs/dbraw/zinc/03/01/83/1286030183.db2.gz HFDWUYJVCSSGIX-WKCHPHFGSA-N 2 1 343.515 2.970 20 10 EFCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120912 1286030186 /nfs/dbraw/zinc/03/01/86/1286030186.db2.gz HFDWUYJVCSSGIX-WKCHPHFGSA-N 2 1 343.515 2.970 20 10 EFCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120912 1286030190 /nfs/dbraw/zinc/03/01/90/1286030190.db2.gz HFDWUYJVCSSGIX-WKCHPHFGSA-N 2 1 343.515 2.970 20 10 EFCDMP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001172605468 1286199907 /nfs/dbraw/zinc/19/99/07/1286199907.db2.gz XQTUQZAURDSHIO-MAUKXSAKSA-N 2 1 346.471 2.678 20 10 EFCDMP Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)cc1Br ZINC001206209971 1286758310 /nfs/dbraw/zinc/75/83/10/1286758310.db2.gz JEGXLWWLNNIJKV-OLZOCXBDSA-N 2 1 331.229 2.724 20 10 EFCDMP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)cc1Br ZINC001206209971 1286758327 /nfs/dbraw/zinc/75/83/27/1286758327.db2.gz JEGXLWWLNNIJKV-OLZOCXBDSA-N 2 1 331.229 2.724 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@]4(CCCO4)[C@H]3C3CC3)cc2)CC1 ZINC000816666292 1288235475 /nfs/dbraw/zinc/23/54/75/1288235475.db2.gz JLXQTSPBEXLLCR-NHCUHLMSSA-N 2 1 341.499 2.582 20 10 EFCDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135979023 1288703011 /nfs/dbraw/zinc/70/30/11/1288703011.db2.gz AXIQTWWPPFBFAL-DLBZAZTESA-N 2 1 349.519 2.718 20 10 EFCDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135979026 1288703060 /nfs/dbraw/zinc/70/30/60/1288703060.db2.gz AXIQTWWPPFBFAL-SJORKVTESA-N 2 1 349.519 2.718 20 10 EFCDMP COc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1Cn1cccn1 ZINC000873010507 1289518427 /nfs/dbraw/zinc/51/84/27/1289518427.db2.gz IMTIMUBNGCWTTB-UHFFFAOYSA-N 2 1 330.476 2.760 20 10 EFCDMP COc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1Cn1cccn1 ZINC000873010507 1289518431 /nfs/dbraw/zinc/51/84/31/1289518431.db2.gz IMTIMUBNGCWTTB-UHFFFAOYSA-N 2 1 330.476 2.760 20 10 EFCDMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1Cn1cccn1 ZINC000873016752 1289522567 /nfs/dbraw/zinc/52/25/67/1289522567.db2.gz QYZPKZXLFWRXQG-UHFFFAOYSA-N 2 1 339.443 2.625 20 10 EFCDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1Cn1cccn1 ZINC000873029347 1289529609 /nfs/dbraw/zinc/52/96/09/1289529609.db2.gz DCHWSSMQBNAYDV-SFHVURJKSA-N 2 1 342.487 2.760 20 10 EFCDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cn1cccn1 ZINC000873061277 1289546927 /nfs/dbraw/zinc/54/69/27/1289546927.db2.gz RAELXANEGIQLPQ-YJBOKZPZSA-N 2 1 328.460 2.512 20 10 EFCDMP CCCOc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000873122538 1289579922 /nfs/dbraw/zinc/57/99/22/1289579922.db2.gz SSGMVLAUMODNRC-UHFFFAOYSA-N 2 1 333.520 2.899 20 10 EFCDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000092664324 1290801438 /nfs/dbraw/zinc/80/14/38/1290801438.db2.gz BMKQIMMHWFLZJF-RTBURBONSA-N 2 1 344.547 2.743 20 10 EFCDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000092664319 1290802388 /nfs/dbraw/zinc/80/23/88/1290802388.db2.gz BMKQIMMHWFLZJF-OALUTQOASA-N 2 1 344.547 2.743 20 10 EFCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876916719 1291071182 /nfs/dbraw/zinc/07/11/82/1291071182.db2.gz YXQWTEFRMZSJAM-INIZCTEOSA-N 2 1 342.487 2.579 20 10 EFCDMP Cc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(O)c1 ZINC000877442011 1291235590 /nfs/dbraw/zinc/23/55/90/1291235590.db2.gz RVNFKUBJTQGJMA-OAQYLSRUSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(O)c1 ZINC000877442011 1291235593 /nfs/dbraw/zinc/23/55/93/1291235593.db2.gz RVNFKUBJTQGJMA-OAQYLSRUSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000877442011 1291235597 /nfs/dbraw/zinc/23/55/97/1291235597.db2.gz RVNFKUBJTQGJMA-OAQYLSRUSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000877442011 1291235599 /nfs/dbraw/zinc/23/55/99/1291235599.db2.gz RVNFKUBJTQGJMA-OAQYLSRUSA-N 2 1 340.467 2.769 20 10 EFCDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532711 1291264329 /nfs/dbraw/zinc/26/43/29/1291264329.db2.gz WSPAQSIUBKQLNO-RXVVDRJESA-N 2 1 343.515 2.564 20 10 EFCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532711 1291264337 /nfs/dbraw/zinc/26/43/37/1291264337.db2.gz WSPAQSIUBKQLNO-RXVVDRJESA-N 2 1 343.515 2.564 20 10 EFCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532711 1291264344 /nfs/dbraw/zinc/26/43/44/1291264344.db2.gz WSPAQSIUBKQLNO-RXVVDRJESA-N 2 1 343.515 2.564 20 10 EFCDMP CN1CCN(c2ccc(C[NH+]3CCC(CC[NH+](C)C)CC3)cc2)CC1 ZINC000775664500 1293967057 /nfs/dbraw/zinc/96/70/57/1293967057.db2.gz WTHVUDSFEJXPOJ-UHFFFAOYSA-N 2 1 344.547 2.602 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCCO)CC(C)(C)C)cc2)CC1 ZINC000775681849 1294105835 /nfs/dbraw/zinc/10/58/35/1294105835.db2.gz UQLMMHMWORUCMH-UHFFFAOYSA-N 2 1 333.520 2.669 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)OCC3(C)C)cc2)CC1 ZINC000775703792 1294173774 /nfs/dbraw/zinc/17/37/74/1294173774.db2.gz YLVRTSQEVLWCOC-UHFFFAOYSA-N 2 1 331.504 2.828 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000775714666 1294240618 /nfs/dbraw/zinc/24/06/18/1294240618.db2.gz VISQOISEMAFUML-UHFFFAOYSA-N 2 1 329.488 2.583 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c2ccccc2n1C ZINC001205117152 1313235894 /nfs/dbraw/zinc/23/58/94/1313235894.db2.gz MBKRDCSWMKOPCC-CQSZACIVSA-N 2 1 329.444 2.668 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c2ccccc2n1C ZINC001205117152 1313235897 /nfs/dbraw/zinc/23/58/97/1313235897.db2.gz MBKRDCSWMKOPCC-CQSZACIVSA-N 2 1 329.444 2.668 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c2ccccc21 ZINC001205209695 1313251207 /nfs/dbraw/zinc/25/12/07/1313251207.db2.gz JZHPSDBWSKDGCB-HXUWFJFHSA-N 2 1 327.472 2.582 20 10 EFCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001205578615 1313316263 /nfs/dbraw/zinc/31/62/63/1313316263.db2.gz GYUNYPJGERWOAG-CQSZACIVSA-N 2 1 347.228 2.513 20 10 EFCDMP COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424390 1313318529 /nfs/dbraw/zinc/31/85/29/1313318529.db2.gz HSOJBOQBSBVCLZ-DLBZAZTESA-N 2 1 331.504 2.973 20 10 EFCDMP CN1CCOc2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc21 ZINC001235424350 1313318760 /nfs/dbraw/zinc/31/87/60/1313318760.db2.gz HBSLPTUWVQGGAF-ROUUACIJSA-N 2 1 329.488 2.727 20 10 EFCDMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC1(F)F ZINC001205777253 1313354195 /nfs/dbraw/zinc/35/41/95/1313354195.db2.gz AWMWKZSKIGKAAD-QGZVFWFLSA-N 2 1 335.442 2.801 20 10 EFCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC1(F)F ZINC001205777253 1313354199 /nfs/dbraw/zinc/35/41/99/1313354199.db2.gz AWMWKZSKIGKAAD-QGZVFWFLSA-N 2 1 335.442 2.801 20 10 EFCDMP COc1ccccc1C[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235660923 1313369269 /nfs/dbraw/zinc/36/92/69/1313369269.db2.gz IUNMHZTXGHGTKB-UHFFFAOYSA-N 2 1 325.456 2.737 20 10 EFCDMP Cc1cc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)c(O)c1 ZINC001276364623 1297336828 /nfs/dbraw/zinc/33/68/28/1297336828.db2.gz ACWZRKROWBXNBG-KDURUIRLSA-N 2 1 345.531 2.714 20 10 EFCDMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c(O)c1 ZINC001276364623 1297336839 /nfs/dbraw/zinc/33/68/39/1297336839.db2.gz ACWZRKROWBXNBG-KDURUIRLSA-N 2 1 345.531 2.714 20 10 EFCDMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c(O)c1 ZINC001276364623 1297336849 /nfs/dbraw/zinc/33/68/49/1297336849.db2.gz ACWZRKROWBXNBG-KDURUIRLSA-N 2 1 345.531 2.714 20 10 EFCDMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c(O)c1 ZINC001276364623 1297336867 /nfs/dbraw/zinc/33/68/67/1297336867.db2.gz ACWZRKROWBXNBG-KDURUIRLSA-N 2 1 345.531 2.714 20 10 EFCDMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c(O)c1 ZINC001276364623 1297336873 /nfs/dbraw/zinc/33/68/73/1297336873.db2.gz ACWZRKROWBXNBG-KDURUIRLSA-N 2 1 345.531 2.714 20 10 EFCDMP c1ccc(O[C@H]2CC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001235674805 1313372635 /nfs/dbraw/zinc/37/26/35/1313372635.db2.gz PQUJISGJPMSWEA-NRFANRHFSA-N 2 1 337.467 2.750 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)cc2)CC1 ZINC001206005515 1313389946 /nfs/dbraw/zinc/38/99/46/1313389946.db2.gz YJUPBSJYWJIDIX-ICSRJNTNSA-N 3 1 344.547 2.635 20 10 EFCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCc2ccccc2C1 ZINC001235834985 1313405912 /nfs/dbraw/zinc/40/59/12/1313405912.db2.gz SPHWMFRHQBZPBS-UHFFFAOYSA-N 2 1 337.467 2.750 20 10 EFCDMP C[N@@H+](CCC(=O)c1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235838840 1313406828 /nfs/dbraw/zinc/40/68/28/1313406828.db2.gz CRBOIOOXERTPKC-UHFFFAOYSA-N 2 1 337.467 2.801 20 10 EFCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001235865488 1313412280 /nfs/dbraw/zinc/41/22/80/1313412280.db2.gz DTDVVVKJQWCGLW-VQIMIIECSA-N 2 1 329.488 2.956 20 10 EFCDMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)cc1Br ZINC001206209970 1313421016 /nfs/dbraw/zinc/42/10/16/1313421016.db2.gz JEGXLWWLNNIJKV-CHWSQXEVSA-N 2 1 331.229 2.724 20 10 EFCDMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)cc1Br ZINC001206209970 1313421017 /nfs/dbraw/zinc/42/10/17/1313421017.db2.gz JEGXLWWLNNIJKV-CHWSQXEVSA-N 2 1 331.229 2.724 20 10 EFCDMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c(O)cc1Br ZINC001235959343 1313423000 /nfs/dbraw/zinc/42/30/00/1313423000.db2.gz OFFGGAVQAOTOKC-LBPRGKRZSA-N 2 1 327.266 2.895 20 10 EFCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001206311646 1313434337 /nfs/dbraw/zinc/43/43/37/1313434337.db2.gz RWGCDYSNVRXVMH-HXUWFJFHSA-N 2 1 331.504 2.599 20 10 EFCDMP Cc1cc(C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)c(C)n1-c1ccccc1 ZINC001236071867 1313436796 /nfs/dbraw/zinc/43/67/96/1313436796.db2.gz BKSASUZCCGWSRY-OAQYLSRUSA-N 2 1 338.499 2.701 20 10 EFCDMP C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219763 1313457387 /nfs/dbraw/zinc/45/73/87/1313457387.db2.gz XQKBIOQETJRGFT-SJLPKXTDSA-N 2 1 337.895 2.878 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219763 1313457389 /nfs/dbraw/zinc/45/73/89/1313457389.db2.gz XQKBIOQETJRGFT-SJLPKXTDSA-N 2 1 337.895 2.878 20 10 EFCDMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(O)cc1Br ZINC001236322005 1313469416 /nfs/dbraw/zinc/46/94/16/1313469416.db2.gz RDPIDDBNCIHREV-BETUJISGSA-N 2 1 339.277 2.895 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC001206556266 1313475615 /nfs/dbraw/zinc/47/56/15/1313475615.db2.gz PXIPTIDURDHBOS-NRFANRHFSA-N 3 1 344.547 2.779 20 10 EFCDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001206615527 1313484490 /nfs/dbraw/zinc/48/44/90/1313484490.db2.gz HIFQCCGDANORLU-OAHLLOKOSA-N 2 1 329.488 2.652 20 10 EFCDMP COc1cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c(OC)c1 ZINC001236662498 1313505236 /nfs/dbraw/zinc/50/52/36/1313505236.db2.gz JWJVENYALLYDOH-MRXNPFEDSA-N 2 1 334.460 2.906 20 10 EFCDMP COc1cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c(OC)c1 ZINC001236662498 1313505240 /nfs/dbraw/zinc/50/52/40/1313505240.db2.gz JWJVENYALLYDOH-MRXNPFEDSA-N 2 1 334.460 2.906 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH+]3CC(c4cccnc4)C3)c(F)c2)CC1 ZINC001236943629 1313558039 /nfs/dbraw/zinc/55/80/39/1313558039.db2.gz UYHYEYPDBDQFFP-UHFFFAOYSA-N 2 1 340.446 2.572 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(C3)CCCOC4)c(F)c2)CC1 ZINC001236941787 1313558281 /nfs/dbraw/zinc/55/82/81/1313558281.db2.gz FPNQJQMYNSTFQH-HXUWFJFHSA-N 2 1 347.478 2.580 20 10 EFCDMP C[NH+]1CCC2(C[NH+](Cc3c(O)cccc3OC(F)(F)F)C2)CC1 ZINC001237114478 1313588565 /nfs/dbraw/zinc/58/85/65/1313588565.db2.gz LWPBZYPKCRAEEN-UHFFFAOYSA-N 2 1 330.350 2.818 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCNC4=CCCC[C@H]43)cc2)CC1 ZINC001237224646 1313609474 /nfs/dbraw/zinc/60/94/74/1313609474.db2.gz HXXGUOGPBOUFNL-OAQYLSRUSA-N 2 1 340.515 2.670 20 10 EFCDMP CC[NH+]1CCN(c2ccc(CN3CC[NH2+]C4=CCCC[C@H]43)cc2)CC1 ZINC001237224646 1313609478 /nfs/dbraw/zinc/60/94/78/1313609478.db2.gz HXXGUOGPBOUFNL-OAQYLSRUSA-N 2 1 340.515 2.670 20 10 EFCDMP Cc1cc(O)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1Br ZINC001237678772 1313690256 /nfs/dbraw/zinc/69/02/56/1313690256.db2.gz BVSZHIAOXFSRMD-OCCSQVGLSA-N 2 1 339.277 2.847 20 10 EFCDMP Cc1cc(O)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Br ZINC001237678772 1313690258 /nfs/dbraw/zinc/69/02/58/1313690258.db2.gz BVSZHIAOXFSRMD-OCCSQVGLSA-N 2 1 339.277 2.847 20 10 EFCDMP Cc1cc(O)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Br ZINC001237678772 1313690262 /nfs/dbraw/zinc/69/02/62/1313690262.db2.gz BVSZHIAOXFSRMD-OCCSQVGLSA-N 2 1 339.277 2.847 20 10 EFCDMP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)cc(Cl)c1O ZINC001237798709 1313708223 /nfs/dbraw/zinc/70/82/23/1313708223.db2.gz LWQIAPGFWKTUPI-UHFFFAOYSA-N 2 1 345.890 2.890 20 10 EFCDMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001208599462 1313972753 /nfs/dbraw/zinc/97/27/53/1313972753.db2.gz IJTJJLDXGHGFGX-UHFFFAOYSA-N 2 1 331.504 2.687 20 10 EFCDMP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000902518335 1311827913 /nfs/dbraw/zinc/82/79/13/1311827913.db2.gz PDQKPDULGHVMBV-NCYKPQTJSA-N 2 1 344.547 2.866 20 10 EFCDMP COCC[N@@H+](Cc1cc(Cl)c(C)cc1O)C1CCN(C)CC1 ZINC001231869406 1312578171 /nfs/dbraw/zinc/57/81/71/1312578171.db2.gz OKVDWFKFQKLUFU-UHFFFAOYSA-N 2 1 326.868 2.897 20 10 EFCDMP C[C@H]1C[C@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246997980 1314727673 /nfs/dbraw/zinc/72/76/73/1314727673.db2.gz WUMJYLAAWVXAKT-DZGCQCFKSA-N 2 1 343.393 2.848 20 10 EFCDMP CC(C)c1ccc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c(O)c1 ZINC001276814006 1315422195 /nfs/dbraw/zinc/42/21/95/1315422195.db2.gz AFBLVYNSFKPLCA-PKOBYXMFSA-N 2 1 331.504 2.583 20 10 EFCDMP C[C@@H](Cc1ccncc1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001256727758 1315985912 /nfs/dbraw/zinc/98/59/12/1315985912.db2.gz DQCXTGJWAUEQPR-INIZCTEOSA-N 2 1 325.456 2.972 20 10 EFCDMP Cc1ccc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)nc1 ZINC001261278028 1316401266 /nfs/dbraw/zinc/40/12/66/1316401266.db2.gz UGWUNLQVHCCOSO-UHFFFAOYSA-N 2 1 342.462 2.613 20 10 EFCDMP CCOC[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320498155 1329146385 /nfs/dbraw/zinc/14/63/85/1329146385.db2.gz SRXGXPWQZQQCFP-GOSISDBHSA-N 2 1 349.494 2.826 20 10 EFCDMP CCOC[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320498155 1329146387 /nfs/dbraw/zinc/14/63/87/1329146387.db2.gz SRXGXPWQZQQCFP-GOSISDBHSA-N 2 1 349.494 2.826 20 10 EFCDMP Cc1cccc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)n1 ZINC001321222148 1329359135 /nfs/dbraw/zinc/35/91/35/1329359135.db2.gz ZVXKFETVTLTHCR-UHFFFAOYSA-N 2 1 342.462 2.613 20 10 EFCDMP CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328219124 1330569698 /nfs/dbraw/zinc/56/96/98/1330569698.db2.gz FBRFEWZHBDYGBR-GOSISDBHSA-N 2 1 349.494 2.969 20 10 EFCDMP CCOC[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328219124 1330569701 /nfs/dbraw/zinc/56/97/01/1330569701.db2.gz FBRFEWZHBDYGBR-GOSISDBHSA-N 2 1 349.494 2.969 20 10 EFCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H]1CC[NH3+] ZINC001328644443 1330611364 /nfs/dbraw/zinc/61/13/64/1330611364.db2.gz ZDRKVGHUTNWBHN-LPHOPBHVSA-N 3 1 348.510 2.527 20 10 EFCDMP C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1CC[NH3+] ZINC001328644443 1330611365 /nfs/dbraw/zinc/61/13/65/1330611365.db2.gz ZDRKVGHUTNWBHN-LPHOPBHVSA-N 3 1 348.510 2.527 20 10 EFCDMP CN(CCC[N@@H+](C)Cc1ccc(N2CCCC2)cc1)CC[NH+](C)C ZINC001329834601 1330741340 /nfs/dbraw/zinc/74/13/40/1330741340.db2.gz NSOUTURWUMYAEH-UHFFFAOYSA-N 2 1 332.536 2.602 20 10 EFCDMP CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(-c3cnn(C)c3)cc2)cc1 ZINC001331418840 1330835386 /nfs/dbraw/zinc/83/53/86/1330835386.db2.gz LLGKHTAYWSZCLF-NRFANRHFSA-N 2 1 349.482 2.943 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCc3nccs3)cc2F)CC1 ZINC001343500863 1332351436 /nfs/dbraw/zinc/35/14/36/1332351436.db2.gz FBCRQGBCSAQCBP-UHFFFAOYSA-N 2 1 348.491 2.756 20 10 EFCDMP CN1CCCc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)ccc21 ZINC000848525632 1334775116 /nfs/dbraw/zinc/77/51/16/1334775116.db2.gz OQPFIRUVKYSYGG-HXUWFJFHSA-N 2 1 343.515 2.802 20 10 EFCDMP COc1c(O)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000849350854 1335596727 /nfs/dbraw/zinc/59/67/27/1335596727.db2.gz YUOZTXOEMFHCFS-CQSZACIVSA-N 2 1 349.431 2.521 20 10 EFCDMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(O)c1OC ZINC000892142407 715272601 /nfs/dbraw/zinc/27/26/01/715272601.db2.gz FGRKLRXLPPVQBB-OAHLLOKOSA-N 2 1 334.460 2.573 20 10 EFCDMP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(O)c1OC ZINC000892142407 715272602 /nfs/dbraw/zinc/27/26/02/715272602.db2.gz FGRKLRXLPPVQBB-OAHLLOKOSA-N 2 1 334.460 2.573 20 10 EFCDMP COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(O)c1OC ZINC000892142407 715272604 /nfs/dbraw/zinc/27/26/04/715272604.db2.gz FGRKLRXLPPVQBB-OAHLLOKOSA-N 2 1 334.460 2.573 20 10 EFCDMP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(O)c1OC ZINC000892142407 715272605 /nfs/dbraw/zinc/27/26/05/715272605.db2.gz FGRKLRXLPPVQBB-OAHLLOKOSA-N 2 1 334.460 2.573 20 10 EFCDMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(O)c1OC ZINC000894479414 722752208 /nfs/dbraw/zinc/75/22/08/722752208.db2.gz PFOQVYSQBNQMSW-OAHLLOKOSA-N 2 1 334.460 2.573 20 10 EFCDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000154470704 728769615 /nfs/dbraw/zinc/76/96/15/728769615.db2.gz XEYYAELZDIMXTQ-SFHVURJKSA-N 2 1 332.536 2.821 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cc1OC ZINC000895379309 724089903 /nfs/dbraw/zinc/08/99/03/724089903.db2.gz UBUWTLPRFOCYBR-ZBFHGGJFSA-N 2 1 336.476 2.962 20 10 EFCDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(O)c1OC ZINC000895479797 724155347 /nfs/dbraw/zinc/15/53/47/724155347.db2.gz VNKBVPSEUURJOQ-OAHLLOKOSA-N 2 1 334.460 2.621 20 10 EFCDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000227441917 728333118 /nfs/dbraw/zinc/33/31/18/728333118.db2.gz INDXNPUOACMHCY-LBPRGKRZSA-N 2 1 327.266 2.975 20 10 EFCDMP CC1(C)[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@H]2CCC[NH2+][C@H]21 ZINC001576392100 1089181332 /nfs/dbraw/zinc/18/13/32/1089181332.db2.gz WTLJFTKLWDZALZ-KFKAGJAMSA-N 2 1 347.478 2.529 20 10 EFCDMP CCOC(=O)C[N@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1O ZINC001577951557 1090221970 /nfs/dbraw/zinc/22/19/70/1090221970.db2.gz TYQOUOQLYRLTLL-UHFFFAOYSA-N 2 1 334.460 2.537 20 10 EFCDMP CCOC(=O)C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1O ZINC001577951557 1090221977 /nfs/dbraw/zinc/22/19/77/1090221977.db2.gz TYQOUOQLYRLTLL-UHFFFAOYSA-N 2 1 334.460 2.537 20 10 EFCDMP COC1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC001578940867 1090484115 /nfs/dbraw/zinc/48/41/15/1090484115.db2.gz LJWJMCMVJNMGRN-WMQCIHAUSA-N 2 1 343.515 2.861 20 10 EFCDMP COc1cc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)c(O)c(C(C)(C)C)c1 ZINC001579148852 1090527215 /nfs/dbraw/zinc/52/72/15/1090527215.db2.gz GOIWQCLBIKEDSY-UHFFFAOYSA-N 2 1 348.487 2.653 20 10 EFCDMP Cn1ccc2cc[nH+]c(NCc3ccc(N4CC[NH+](C)CC4)cc3)c21 ZINC001167431027 1101611105 /nfs/dbraw/zinc/61/11/05/1101611105.db2.gz BZEORGZLUUESJG-UHFFFAOYSA-N 2 1 335.455 2.937 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168390975 1104184707 /nfs/dbraw/zinc/18/47/07/1104184707.db2.gz JQXCYJITJMSJIZ-UHFFFAOYSA-N 2 1 343.515 2.829 20 10 EFCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000904420245 1107934382 /nfs/dbraw/zinc/93/43/82/1107934382.db2.gz IESXYRWZOFIILN-GXTWGEPZSA-N 2 1 327.394 2.813 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000904420245 1107934391 /nfs/dbraw/zinc/93/43/91/1107934391.db2.gz IESXYRWZOFIILN-GXTWGEPZSA-N 2 1 327.394 2.813 20 10 EFCDMP C[C@@H]1C[C@@H](NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[N@@H+]1C1CC1 ZINC000898449694 1108942951 /nfs/dbraw/zinc/94/29/51/1108942951.db2.gz JGAUFPLXWKVVCQ-MDYRTPRTSA-N 2 1 330.520 2.570 20 10 EFCDMP C[C@@H]1C[C@@H](NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[N@H+]1C1CC1 ZINC000898449694 1108942954 /nfs/dbraw/zinc/94/29/54/1108942954.db2.gz JGAUFPLXWKVVCQ-MDYRTPRTSA-N 2 1 330.520 2.570 20 10 EFCDMP Oc1cccc2c1[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000296490624 241088602 /nfs/dbraw/zinc/08/86/02/241088602.db2.gz POHIGHPVPFTFBH-RBUKOAKNSA-N 2 1 338.451 2.736 20 10 EFCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000364452033 242298973 /nfs/dbraw/zinc/29/89/73/242298973.db2.gz WBCRJDMCGQRUEN-JQHSSLGASA-N 2 1 347.478 2.940 20 10 EFCDMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000119637557 472572226 /nfs/dbraw/zinc/57/22/26/472572226.db2.gz DPSNNIQHLJFRQV-INIZCTEOSA-N 2 1 329.488 2.801 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@H](C)C1 ZINC000151526447 473469492 /nfs/dbraw/zinc/46/94/92/473469492.db2.gz SYDRMKTWWMPPLN-BEFAXECRSA-N 2 1 349.494 2.607 20 10 EFCDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152405264 473557916 /nfs/dbraw/zinc/55/79/16/473557916.db2.gz YPFHRAHNIDLRGB-HOTGVXAUSA-N 2 1 347.478 2.797 20 10 EFCDMP C[N@@H+](Cc1ccccc1O)C1CCN(CCc2ccccn2)CC1 ZINC000179564807 473694714 /nfs/dbraw/zinc/69/47/14/473694714.db2.gz KHEABANPMFKFGK-UHFFFAOYSA-N 2 1 325.456 2.926 20 10 EFCDMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Cl)c1[O-] ZINC000287578058 473699895 /nfs/dbraw/zinc/69/98/95/473699895.db2.gz HFEMFFLOIHHSBE-INIZCTEOSA-N 2 1 326.868 2.933 20 10 EFCDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)cc(C)c3O)C2)CC1 ZINC000180069520 473790931 /nfs/dbraw/zinc/79/09/31/473790931.db2.gz COFSVPPOWABZII-KRWDZBQOSA-N 2 1 337.895 2.566 20 10 EFCDMP CCN(C)c1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282487593 474083682 /nfs/dbraw/zinc/08/36/82/474083682.db2.gz XHDJSZOIEDROLA-QGZVFWFLSA-N 2 1 332.536 2.819 20 10 EFCDMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc(F)ccc3O)CC2)CC1 ZINC000272252866 474606966 /nfs/dbraw/zinc/60/69/66/474606966.db2.gz CGMJMEMZLNFENY-UHFFFAOYSA-N 2 1 335.467 2.522 20 10 EFCDMP Cc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(O)c1C ZINC000273605172 474986321 /nfs/dbraw/zinc/98/63/21/474986321.db2.gz TWXJXSSJZUUCMT-QGZVFWFLSA-N 2 1 333.520 2.933 20 10 EFCDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268798952 475041135 /nfs/dbraw/zinc/04/11/35/475041135.db2.gz IQWWVUKSUJNLBR-AWEZNQCLSA-N 2 1 332.423 2.518 20 10 EFCDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000268834020 475045907 /nfs/dbraw/zinc/04/59/07/475045907.db2.gz LEPAYBDBLBRCQE-CLCXKQKWSA-N 2 1 349.494 2.605 20 10 EFCDMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000268838950 475046285 /nfs/dbraw/zinc/04/62/85/475046285.db2.gz MRRSYSBGSZKGGZ-FXAWDEMLSA-N 2 1 331.504 2.784 20 10 EFCDMP CNCc1noc(Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1 ZINC000583191537 478786836 /nfs/dbraw/zinc/78/68/36/478786836.db2.gz ZZUTWGBRYDFILL-UHFFFAOYSA-N 2 1 339.443 2.559 20 10 EFCDMP CCN(CC)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000362375331 535684337 /nfs/dbraw/zinc/68/43/37/535684337.db2.gz CYEGMCLMZNZQTQ-NRFANRHFSA-N 2 1 344.547 2.745 20 10 EFCDMP CCN(CC)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000362375331 535684343 /nfs/dbraw/zinc/68/43/43/535684343.db2.gz CYEGMCLMZNZQTQ-NRFANRHFSA-N 2 1 344.547 2.745 20 10 EFCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000367684878 536345961 /nfs/dbraw/zinc/34/59/61/536345961.db2.gz IZWOQQGJBXFUJR-FQEVSTJZSA-N 2 1 343.515 2.687 20 10 EFCDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765140868 577011776 /nfs/dbraw/zinc/01/17/76/577011776.db2.gz HGVONDDUCFYZON-MRXNPFEDSA-N 2 1 328.460 2.769 20 10 EFCDMP CCOc1cccc(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)c1O ZINC000769515459 577369223 /nfs/dbraw/zinc/36/92/23/577369223.db2.gz QTVRWFDYFSNIFO-KRWDZBQOSA-N 2 1 336.476 2.724 20 10 EFCDMP CCN(C)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000773823593 581466391 /nfs/dbraw/zinc/46/63/91/581466391.db2.gz UWLMHUKZQQIGCL-NQIIRXRSSA-N 2 1 344.547 2.601 20 10 EFCDMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1N(C)C ZINC000923393764 1261599753 /nfs/dbraw/zinc/59/97/53/1261599753.db2.gz XNAJVZWSNOJISK-DFQSSKMNSA-N 2 1 331.504 2.922 20 10 EFCDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825167484 1278432252 /nfs/dbraw/zinc/43/22/52/1278432252.db2.gz MXERMKAWCLWIAG-GFCCVEGCSA-N 2 1 327.266 2.976 20 10 EFCDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000701073955 1269868762 /nfs/dbraw/zinc/86/87/62/1269868762.db2.gz GJALGVRLRQPOIH-GFCCVEGCSA-N 2 1 327.266 2.975 20 10 EFCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000702603463 1271554630 /nfs/dbraw/zinc/55/46/30/1271554630.db2.gz NDVGXCUEBIAPDZ-UZLBHIALSA-N 2 1 326.440 2.680 20 10 EFCDMP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001169445861 1272921765 /nfs/dbraw/zinc/92/17/65/1272921765.db2.gz CEICJNXARNTPCX-INIZCTEOSA-N 2 1 347.503 2.593 20 10 EFCDMP C[N@H+](Cc1c(O)cccc1Br)CC1CC[NH+](C)CC1 ZINC000707137334 1275337976 /nfs/dbraw/zinc/33/79/76/1275337976.db2.gz YXDFAJRVKWLQNP-UHFFFAOYSA-N 2 1 327.266 2.928 20 10 EFCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1c(O)ccc2ccncc21 ZINC000746644219 1275683266 /nfs/dbraw/zinc/68/32/66/1275683266.db2.gz ASNXLNRPJWASJD-MOXGXCLJSA-N 2 1 341.455 2.624 20 10 EFCDMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817888603 1276347573 /nfs/dbraw/zinc/34/75/73/1276347573.db2.gz MZJCULLJRUEHOJ-CVEARBPZSA-N 2 1 343.393 2.511 20 10 EFCDMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817943646 1276389671 /nfs/dbraw/zinc/38/96/71/1276389671.db2.gz QIYJYFRPWKNHSA-CQSZACIVSA-N 2 1 325.884 2.827 20 10 EFCDMP COC[C@@]1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CCC[NH2+]1 ZINC000817975534 1276416171 /nfs/dbraw/zinc/41/61/71/1276416171.db2.gz WGATVGFYXVDAIO-NHYWBVRUSA-N 2 1 343.265 2.574 20 10 EFCDMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817981373 1276421792 /nfs/dbraw/zinc/42/17/92/1276421792.db2.gz RSWYAOYUTKABON-NVXWUHKLSA-N 2 1 335.467 2.845 20 10 EFCDMP COc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000818221952 1276493429 /nfs/dbraw/zinc/49/34/29/1276493429.db2.gz PTXNUSGPRXGBQK-AOIWGVFYSA-N 2 1 329.488 2.738 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@H](C)C1 ZINC000818344141 1276510848 /nfs/dbraw/zinc/51/08/48/1276510848.db2.gz JUARENPNVBUMOD-UWVAXJGDSA-N 2 1 331.504 2.841 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000790748794 1277757722 /nfs/dbraw/zinc/75/77/22/1277757722.db2.gz QGEIMWLVXTXATC-CQSZACIVSA-N 2 1 334.460 2.951 20 10 EFCDMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1N(C)C ZINC000815078042 1287301676 /nfs/dbraw/zinc/30/16/76/1287301676.db2.gz LZPUSWSABYUTGG-RXVVDRJESA-N 2 1 344.547 2.519 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000844902230 1279325201 /nfs/dbraw/zinc/32/52/01/1279325201.db2.gz MDVVQSBKIUVQOV-FCEWJHQRSA-N 2 1 335.467 2.610 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000844923422 1279342283 /nfs/dbraw/zinc/34/22/83/1279342283.db2.gz IBODNQUUJGZQJE-LLVKDONJSA-N 2 1 332.375 2.627 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3c3cc[nH]n3)cc2)CC1 ZINC000809692776 1282379222 /nfs/dbraw/zinc/37/92/22/1282379222.db2.gz GOXRJKAAXGFPPU-HXUWFJFHSA-N 2 1 339.487 2.889 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3c3cc[nH]n3)cc2)CC1 ZINC000809692776 1282379230 /nfs/dbraw/zinc/37/92/30/1282379230.db2.gz GOXRJKAAXGFPPU-HXUWFJFHSA-N 2 1 339.487 2.889 20 10 EFCDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1O ZINC000809694624 1282382115 /nfs/dbraw/zinc/38/21/15/1282382115.db2.gz QRKCYUAOTUEFCO-UHFFFAOYSA-N 2 1 339.483 2.642 20 10 EFCDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(C)c(C)cc1O ZINC000809737778 1282437049 /nfs/dbraw/zinc/43/70/49/1282437049.db2.gz KQEPWPJEGODYIZ-IBGZPJMESA-N 2 1 333.520 2.857 20 10 EFCDMP CCOc1ccc(CN(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c(O)c1 ZINC000809738396 1282437716 /nfs/dbraw/zinc/43/77/16/1282437716.db2.gz XEMGZFMRCADSCT-GOSISDBHSA-N 2 1 349.519 2.639 20 10 EFCDMP CCOc1cccc(CN(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1O ZINC000809737047 1282437978 /nfs/dbraw/zinc/43/79/78/1282437978.db2.gz CFJNXTNMLNGSOP-GOSISDBHSA-N 2 1 349.519 2.639 20 10 EFCDMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815616177 1287639526 /nfs/dbraw/zinc/63/95/26/1287639526.db2.gz IBWPXXLXYWLCOX-TZIWHRDSSA-N 2 1 340.467 2.722 20 10 EFCDMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815616177 1287639527 /nfs/dbraw/zinc/63/95/27/1287639527.db2.gz IBWPXXLXYWLCOX-TZIWHRDSSA-N 2 1 340.467 2.722 20 10 EFCDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)C1 ZINC000816507185 1288177220 /nfs/dbraw/zinc/17/72/20/1288177220.db2.gz YPHYBEOUVOJSCZ-IBGZPJMESA-N 2 1 339.483 2.757 20 10 EFCDMP CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000816662282 1288234959 /nfs/dbraw/zinc/23/49/59/1288234959.db2.gz LQDZOWGIZPCPSQ-NRFANRHFSA-N 2 1 345.531 2.669 20 10 EFCDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cn1cccn1 ZINC000873013711 1289519928 /nfs/dbraw/zinc/51/99/28/1289519928.db2.gz GJBDVLFXHSYYCP-MOPGFXCFSA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cn1cccn1 ZINC000873013711 1289519934 /nfs/dbraw/zinc/51/99/34/1289519934.db2.gz GJBDVLFXHSYYCP-MOPGFXCFSA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1Cn1cccn1 ZINC000873131245 1289585865 /nfs/dbraw/zinc/58/58/65/1289585865.db2.gz QCPAFBAONCHAOO-KRWDZBQOSA-N 2 1 342.487 2.762 20 10 EFCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876775023 1291017909 /nfs/dbraw/zinc/01/79/09/1291017909.db2.gz MJYMOXDVQUQDFU-IBGZPJMESA-N 2 1 345.531 2.811 20 10 EFCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876775023 1291017917 /nfs/dbraw/zinc/01/79/17/1291017917.db2.gz MJYMOXDVQUQDFU-IBGZPJMESA-N 2 1 345.531 2.811 20 10 EFCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876775023 1291017925 /nfs/dbraw/zinc/01/79/25/1291017925.db2.gz MJYMOXDVQUQDFU-IBGZPJMESA-N 2 1 345.531 2.811 20 10 EFCDMP Cc1cccc(O)c1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000877191480 1291160858 /nfs/dbraw/zinc/16/08/58/1291160858.db2.gz WRQFJSBVANBGIP-GOSISDBHSA-N 2 1 326.440 2.557 20 10 EFCDMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(O)c1 ZINC000877191468 1291161187 /nfs/dbraw/zinc/16/11/87/1291161187.db2.gz WIJMFOKNFPXXJJ-IBGZPJMESA-N 2 1 326.440 2.557 20 10 EFCDMP CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775174996 1291406900 /nfs/dbraw/zinc/40/69/00/1291406900.db2.gz DWDQMINPSFVPIX-HXUWFJFHSA-N 2 1 331.504 2.565 20 10 EFCDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1O)C2 ZINC001203551986 1312954083 /nfs/dbraw/zinc/95/40/83/1312954083.db2.gz WFABVZBLMMIZLN-ICSRJNTNSA-N 2 1 330.472 2.573 20 10 EFCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001203551986 1312954085 /nfs/dbraw/zinc/95/40/85/1312954085.db2.gz WFABVZBLMMIZLN-ICSRJNTNSA-N 2 1 330.472 2.573 20 10 EFCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001203551986 1312954088 /nfs/dbraw/zinc/95/40/88/1312954088.db2.gz WFABVZBLMMIZLN-ICSRJNTNSA-N 2 1 330.472 2.573 20 10 EFCDMP COc1cccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1O ZINC001203592246 1312965059 /nfs/dbraw/zinc/96/50/59/1312965059.db2.gz RRLCSPCVAKWPGP-UHFFFAOYSA-N 2 1 327.428 2.843 20 10 EFCDMP COc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c(O)c1 ZINC001203622734 1312973921 /nfs/dbraw/zinc/97/39/21/1312973921.db2.gz AXGHDYLRNWDOGR-UHFFFAOYSA-N 2 1 327.428 2.843 20 10 EFCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OC(F)(F)F)c3O)C2)C1 ZINC001233768157 1312987392 /nfs/dbraw/zinc/98/73/92/1312987392.db2.gz KZUQFKWZXFFDOY-OAHLLOKOSA-N 2 1 330.350 2.818 20 10 EFCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(OC(F)(F)F)c3O)C2)C1 ZINC001233768157 1312987394 /nfs/dbraw/zinc/98/73/94/1312987394.db2.gz KZUQFKWZXFFDOY-OAHLLOKOSA-N 2 1 330.350 2.818 20 10 EFCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(OC(F)(F)F)c3O)C2)C1 ZINC001233768157 1312987398 /nfs/dbraw/zinc/98/73/98/1312987398.db2.gz KZUQFKWZXFFDOY-OAHLLOKOSA-N 2 1 330.350 2.818 20 10 EFCDMP C[NH+]1CCN(c2ccc(CNC3CC[NH+](C(C)(C)C)CC3)cc2)CC1 ZINC000883289715 1293532911 /nfs/dbraw/zinc/53/29/11/1293532911.db2.gz YABUYFTYJALIFQ-UHFFFAOYSA-N 2 1 344.547 2.791 20 10 EFCDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775647998 1293858416 /nfs/dbraw/zinc/85/84/16/1293858416.db2.gz LNHNVOQCGRIWMW-UHFFFAOYSA-N 3 1 344.547 2.743 20 10 EFCDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775724890 1294286899 /nfs/dbraw/zinc/28/68/99/1294286899.db2.gz OJCBFBXTJOWXPN-HXUWFJFHSA-N 3 1 344.547 2.602 20 10 EFCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775724890 1294286904 /nfs/dbraw/zinc/28/69/04/1294286904.db2.gz OJCBFBXTJOWXPN-HXUWFJFHSA-N 3 1 344.547 2.602 20 10 EFCDMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775830926 1294920292 /nfs/dbraw/zinc/92/02/92/1294920292.db2.gz NKJRLJWYUHPATJ-LAUBAEHRSA-N 2 1 341.499 2.896 20 10 EFCDMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775830926 1294920300 /nfs/dbraw/zinc/92/03/00/1294920300.db2.gz NKJRLJWYUHPATJ-LAUBAEHRSA-N 2 1 341.499 2.896 20 10 EFCDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1c(O)cccc1F ZINC000886587663 1295035474 /nfs/dbraw/zinc/03/54/74/1295035474.db2.gz CKYSSJCNTBTWJR-WMLDXEAASA-N 2 1 344.430 2.949 20 10 EFCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1c(O)cccc1F ZINC000886587663 1295035483 /nfs/dbraw/zinc/03/54/83/1295035483.db2.gz CKYSSJCNTBTWJR-WMLDXEAASA-N 2 1 344.430 2.949 20 10 EFCDMP OCC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000305300258 1296078765 /nfs/dbraw/zinc/07/87/65/1296078765.db2.gz HKRVFBYVUVYWTR-CTNGQTDRSA-N 2 1 343.515 2.612 20 10 EFCDMP CC(C)(C)c1cccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1O ZINC001235009140 1313223657 /nfs/dbraw/zinc/22/36/57/1313223657.db2.gz SYFUULJYSMICNH-FQEVSTJZSA-N 2 1 332.488 2.892 20 10 EFCDMP CC(C)(C)c1cccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1O ZINC001235009140 1313223661 /nfs/dbraw/zinc/22/36/61/1313223661.db2.gz SYFUULJYSMICNH-FQEVSTJZSA-N 2 1 332.488 2.892 20 10 EFCDMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205164747 1313244208 /nfs/dbraw/zinc/24/42/08/1313244208.db2.gz RUYPICZKAJJDMY-INIZCTEOSA-N 2 1 337.467 2.921 20 10 EFCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001205280966 1313263745 /nfs/dbraw/zinc/26/37/45/1313263745.db2.gz NDIZNHUEKKSESK-SFHVURJKSA-N 2 1 337.895 2.880 20 10 EFCDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000925574259 1296857590 /nfs/dbraw/zinc/85/75/90/1296857590.db2.gz CVRJQXXISLEWDQ-CXAGYDPISA-N 2 1 339.430 2.987 20 10 EFCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC001205560072 1313313515 /nfs/dbraw/zinc/31/35/15/1313313515.db2.gz ZCFAKTXUGZVUNQ-AWEZNQCLSA-N 2 1 331.229 2.808 20 10 EFCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001205591307 1313319368 /nfs/dbraw/zinc/31/93/68/1313319368.db2.gz KEZPSUOTTHROIU-CQSZACIVSA-N 2 1 336.329 2.944 20 10 EFCDMP Cc1cc(O)c(C[N@@H+](C)CC2CC[NH2+]CC2)cc1Br ZINC001235432600 1313319621 /nfs/dbraw/zinc/31/96/21/1313319621.db2.gz NBXLIWNYNTYVGE-UHFFFAOYSA-N 2 1 327.266 2.895 20 10 EFCDMP C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)CC[C@H]1C[NH3+] ZINC001205626713 1313325594 /nfs/dbraw/zinc/32/55/94/1313325594.db2.gz IJOGNDCUEKQBAN-NEPJUHHUSA-N 2 1 327.266 2.962 20 10 EFCDMP Nc1ccc(CN2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001235636258 1313364618 /nfs/dbraw/zinc/36/46/18/1313364618.db2.gz OGSCOCOCFFGZII-AZUAARDMSA-N 2 1 329.488 2.592 20 10 EFCDMP Nc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001235636258 1313364622 /nfs/dbraw/zinc/36/46/22/1313364622.db2.gz OGSCOCOCFFGZII-AZUAARDMSA-N 2 1 329.488 2.592 20 10 EFCDMP Nc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001235636258 1313364625 /nfs/dbraw/zinc/36/46/25/1313364625.db2.gz OGSCOCOCFFGZII-AZUAARDMSA-N 2 1 329.488 2.592 20 10 EFCDMP Nc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001235636258 1313364629 /nfs/dbraw/zinc/36/46/29/1313364629.db2.gz OGSCOCOCFFGZII-AZUAARDMSA-N 2 1 329.488 2.592 20 10 EFCDMP Nc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001235636258 1313364633 /nfs/dbraw/zinc/36/46/33/1313364633.db2.gz OGSCOCOCFFGZII-AZUAARDMSA-N 2 1 329.488 2.592 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](N)Cc1ccccc1 ZINC001235690891 1313376396 /nfs/dbraw/zinc/37/63/96/1313376396.db2.gz DWNFIHJQZUYJGZ-HXUWFJFHSA-N 2 1 339.483 2.525 20 10 EFCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](N)Cc1ccccc1 ZINC001235690891 1313376399 /nfs/dbraw/zinc/37/63/99/1313376399.db2.gz DWNFIHJQZUYJGZ-HXUWFJFHSA-N 2 1 339.483 2.525 20 10 EFCDMP C[C@@H]1C[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CCC[C@@H]1C[NH3+] ZINC001205991404 1313387510 /nfs/dbraw/zinc/38/75/10/1313387510.db2.gz AOJALUVMGXOSMN-NVXWUHKLSA-N 2 1 343.515 2.898 20 10 EFCDMP Cc1ccc(CC[N@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2O)cc1 ZINC001235839882 1313407407 /nfs/dbraw/zinc/40/74/07/1313407407.db2.gz BWFMCBMWWVJDID-UHFFFAOYSA-N 2 1 339.483 2.785 20 10 EFCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001235865466 1313412614 /nfs/dbraw/zinc/41/26/14/1313412614.db2.gz DTDVVVKJQWCGLW-APWZRJJASA-N 2 1 329.488 2.956 20 10 EFCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC[C@H]1F ZINC001206201063 1313419629 /nfs/dbraw/zinc/41/96/29/1313419629.db2.gz VKVMRRWRGPATNI-CHWSQXEVSA-N 2 1 336.329 2.595 20 10 EFCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC[C@@H]1F ZINC001206201068 1313420319 /nfs/dbraw/zinc/42/03/19/1313420319.db2.gz VKVMRRWRGPATNI-QWHCGFSZSA-N 2 1 336.329 2.595 20 10 EFCDMP CC(C)(C)c1cc(O)c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1Cl ZINC001236001881 1313429655 /nfs/dbraw/zinc/42/96/55/1313429655.db2.gz NDIZHICKJBNZPC-MPYYAJLASA-N 2 1 338.879 2.749 20 10 EFCDMP CC(C)(C)c1cc(O)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1Cl ZINC001236001881 1313429656 /nfs/dbraw/zinc/42/96/56/1313429656.db2.gz NDIZHICKJBNZPC-MPYYAJLASA-N 2 1 338.879 2.749 20 10 EFCDMP Cc1cc(F)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1O ZINC001236011145 1313431735 /nfs/dbraw/zinc/43/17/35/1313431735.db2.gz STXFBBJRBPJSSA-XLIONFOSSA-N 2 1 326.415 2.813 20 10 EFCDMP CC[N@@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)Cc1ccccc1O ZINC001236043917 1313433603 /nfs/dbraw/zinc/43/36/03/1313433603.db2.gz GEOUEGAGEDYVIE-UHFFFAOYSA-N 2 1 339.483 2.820 20 10 EFCDMP CN(C)c1ccc(C[N@@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001236190895 1313454302 /nfs/dbraw/zinc/45/43/02/1313454302.db2.gz ZSFSORCBIXDANQ-UHFFFAOYSA-N 2 1 338.499 2.794 20 10 EFCDMP C[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216883 1313457112 /nfs/dbraw/zinc/45/71/12/1313457112.db2.gz LVWDKMYYUFAVEI-MSOLQXFVSA-N 2 1 329.488 2.793 20 10 EFCDMP C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219765 1313457205 /nfs/dbraw/zinc/45/72/05/1313457205.db2.gz XQKBIOQETJRGFT-WMZOPIPTSA-N 2 1 337.895 2.878 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219765 1313457208 /nfs/dbraw/zinc/45/72/08/1313457208.db2.gz XQKBIOQETJRGFT-WMZOPIPTSA-N 2 1 337.895 2.878 20 10 EFCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001236308668 1313467697 /nfs/dbraw/zinc/46/76/97/1313467697.db2.gz WFIBFANRGZIYHL-IAGOWNOFSA-N 2 1 329.488 2.814 20 10 EFCDMP Oc1cc(F)c(Br)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320702 1313468980 /nfs/dbraw/zinc/46/89/80/1313468980.db2.gz BIUSUYMEAGASLU-PHIMTYICSA-N 2 1 343.240 2.725 20 10 EFCDMP Oc1cc(F)c(Br)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320702 1313468981 /nfs/dbraw/zinc/46/89/81/1313468981.db2.gz BIUSUYMEAGASLU-PHIMTYICSA-N 2 1 343.240 2.725 20 10 EFCDMP C[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411001 1313477113 /nfs/dbraw/zinc/47/71/13/1313477113.db2.gz DUNOXUXMWIOQJY-HALDLXJZSA-N 2 1 347.256 2.958 20 10 EFCDMP CC(C)(C)C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C1CC[NH2+]CC1 ZINC001236456683 1313482567 /nfs/dbraw/zinc/48/25/67/1313482567.db2.gz DQOAOSSAJJIMCP-UHFFFAOYSA-N 3 1 344.547 2.696 20 10 EFCDMP CCC[N@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236834925 1313538319 /nfs/dbraw/zinc/53/83/19/1313538319.db2.gz KQHXJNMDBZHCNG-HXUWFJFHSA-N 2 1 344.547 2.650 20 10 EFCDMP CCC[N@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236834923 1313538753 /nfs/dbraw/zinc/53/87/53/1313538753.db2.gz KQHXJNMDBZHCNG-FQEVSTJZSA-N 2 1 344.547 2.650 20 10 EFCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001236847007 1313541369 /nfs/dbraw/zinc/54/13/69/1313541369.db2.gz GUSORSHZRCTIKU-UHFFFAOYSA-N 2 1 344.547 2.793 20 10 EFCDMP CCCC[NH+]1CCC(N(C)Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001236847007 1313541370 /nfs/dbraw/zinc/54/13/70/1313541370.db2.gz GUSORSHZRCTIKU-UHFFFAOYSA-N 2 1 344.547 2.793 20 10 EFCDMP CCCCN1CCC([N@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001236847007 1313541373 /nfs/dbraw/zinc/54/13/73/1313541373.db2.gz GUSORSHZRCTIKU-UHFFFAOYSA-N 2 1 344.547 2.793 20 10 EFCDMP CCCCN1CCC([N@@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001236847007 1313541376 /nfs/dbraw/zinc/54/13/76/1313541376.db2.gz GUSORSHZRCTIKU-UHFFFAOYSA-N 2 1 344.547 2.793 20 10 EFCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@]1(C)O ZINC001236937201 1313557574 /nfs/dbraw/zinc/55/75/74/1313557574.db2.gz XJUBZLGNNPBBQL-UZLBHIALSA-N 2 1 349.494 2.560 20 10 EFCDMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236941779 1313558150 /nfs/dbraw/zinc/55/81/50/1313558150.db2.gz FKFZGXWUENOGPW-DFNIBXOVSA-N 2 1 347.478 2.719 20 10 EFCDMP CC(C)O[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236941594 1313558209 /nfs/dbraw/zinc/55/82/09/1313558209.db2.gz CXURQOUSIWICMS-SFHVURJKSA-N 2 1 335.467 2.577 20 10 EFCDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(C)C)cc1O ZINC001237054343 1313578258 /nfs/dbraw/zinc/57/82/58/1313578258.db2.gz WHOCKSSFVWZGRE-UHFFFAOYSA-N 2 1 336.476 2.832 20 10 EFCDMP C[C@H]1C(=O)CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C12CCCC2 ZINC001237190182 1313602429 /nfs/dbraw/zinc/60/24/29/1313602429.db2.gz DEHWAMOOXLMFOP-KRWDZBQOSA-N 2 1 341.499 2.820 20 10 EFCDMP Oc1c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cccc1OC(F)(F)F ZINC001237415861 1313641698 /nfs/dbraw/zinc/64/16/98/1313641698.db2.gz OQRYHHSKABTVNP-YPMHNXCESA-N 2 1 330.350 2.865 20 10 EFCDMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c2ccccc21 ZINC000854230229 1300478712 /nfs/dbraw/zinc/47/87/12/1300478712.db2.gz KHZBNZVONDRHAM-NHCUHLMSSA-N 2 1 337.467 2.882 20 10 EFCDMP [O-]c1c(F)cccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276538110 1313705931 /nfs/dbraw/zinc/70/59/31/1313705931.db2.gz SZKOVXHHVMOGQI-IYBDPMFKSA-N 2 1 344.434 2.598 20 10 EFCDMP [O-]c1c(F)cccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276538110 1313705933 /nfs/dbraw/zinc/70/59/33/1313705933.db2.gz SZKOVXHHVMOGQI-IYBDPMFKSA-N 2 1 344.434 2.598 20 10 EFCDMP Oc1c(F)cccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276538110 1313705936 /nfs/dbraw/zinc/70/59/36/1313705936.db2.gz SZKOVXHHVMOGQI-IYBDPMFKSA-N 2 1 344.434 2.598 20 10 EFCDMP Oc1c(F)cccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276538110 1313705938 /nfs/dbraw/zinc/70/59/38/1313705938.db2.gz SZKOVXHHVMOGQI-IYBDPMFKSA-N 2 1 344.434 2.598 20 10 EFCDMP Oc1c(F)cccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276538110 1313705939 /nfs/dbraw/zinc/70/59/39/1313705939.db2.gz SZKOVXHHVMOGQI-IYBDPMFKSA-N 2 1 344.434 2.598 20 10 EFCDMP Oc1c(F)cccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276538110 1313705941 /nfs/dbraw/zinc/70/59/41/1313705941.db2.gz SZKOVXHHVMOGQI-IYBDPMFKSA-N 2 1 344.434 2.598 20 10 EFCDMP CCOc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863645891 1302668039 /nfs/dbraw/zinc/66/80/39/1302668039.db2.gz DQKGBCIBOOSDBZ-QWHCGFSZSA-N 2 1 332.366 2.750 20 10 EFCDMP Oc1c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001222243976 1311104467 /nfs/dbraw/zinc/10/44/67/1311104467.db2.gz RNVDBLPQRORGHL-NRFANRHFSA-N 2 1 341.499 2.809 20 10 EFCDMP Oc1c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001222243976 1311104469 /nfs/dbraw/zinc/10/44/69/1311104469.db2.gz RNVDBLPQRORGHL-NRFANRHFSA-N 2 1 341.499 2.809 20 10 EFCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCC2(CCCC2)C1 ZINC001222400758 1311125278 /nfs/dbraw/zinc/12/52/78/1311125278.db2.gz GVRHURWBHGYNSC-UHFFFAOYSA-N 2 1 329.488 2.958 20 10 EFCDMP COc1cc(O)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC001232266724 1312661579 /nfs/dbraw/zinc/66/15/79/1312661579.db2.gz XQPXDKXKUCQTQR-UHFFFAOYSA-N 2 1 333.819 2.771 20 10 EFCDMP CC[C@@H]1C[C@H](NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](CC)[NH2+]1 ZINC001246186065 1314595204 /nfs/dbraw/zinc/59/52/04/1314595204.db2.gz WQYQPCBQYDCMOU-PMOLBWCYSA-N 2 1 344.547 2.837 20 10 EFCDMP FC(F)(F)Oc1ccc(N2CC[NH+]([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001246993662 1314726865 /nfs/dbraw/zinc/72/68/65/1314726865.db2.gz IJJPYYLCERZKFV-CQSZACIVSA-N 2 1 343.393 2.849 20 10 EFCDMP COC(=O)Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(O)c1 ZINC001249174185 1315029468 /nfs/dbraw/zinc/02/94/68/1315029468.db2.gz ZXBYRFANNCQMDW-UHFFFAOYSA-N 2 1 346.471 2.558 20 10 EFCDMP C[C@H](Cc1ccco1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318367115 1328566194 /nfs/dbraw/zinc/56/61/94/1328566194.db2.gz INRNVQCASYYKNT-OAHLLOKOSA-N 2 1 331.435 2.891 20 10 EFCDMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217724962 1315106438 /nfs/dbraw/zinc/10/64/38/1315106438.db2.gz MQFDTJCTRQLJBD-KRWDZBQOSA-N 2 1 337.427 2.917 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC4(C3)CCOCC4)cc2F)CC1 ZINC001254019385 1315665903 /nfs/dbraw/zinc/66/59/03/1315665903.db2.gz RRLQAHZSVQILIF-UHFFFAOYSA-N 2 1 347.478 2.580 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC4(C3)CCOCC4)cc2F)CC1 ZINC001254019385 1315665905 /nfs/dbraw/zinc/66/59/05/1315665905.db2.gz RRLQAHZSVQILIF-UHFFFAOYSA-N 2 1 347.478 2.580 20 10 EFCDMP COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001254184255 1315678950 /nfs/dbraw/zinc/67/89/50/1315678950.db2.gz MKRAWDGBOHTTTM-OAHLLOKOSA-N 2 1 337.483 2.871 20 10 EFCDMP C[C@H](Cc1ccncc1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001256727759 1315985849 /nfs/dbraw/zinc/98/58/49/1315985849.db2.gz DQCXTGJWAUEQPR-MRXNPFEDSA-N 2 1 325.456 2.972 20 10 EFCDMP CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(C)C ZINC001318802833 1328705069 /nfs/dbraw/zinc/70/50/69/1328705069.db2.gz AGSVJBBYACIYLF-ICSRJNTNSA-N 2 1 349.494 2.871 20 10 EFCDMP CC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCS1 ZINC001319711899 1328959620 /nfs/dbraw/zinc/95/96/20/1328959620.db2.gz KAERGJUXDKSDQQ-MRXNPFEDSA-N 2 1 337.508 2.905 20 10 EFCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCS1 ZINC001319711899 1328959625 /nfs/dbraw/zinc/95/96/25/1328959625.db2.gz KAERGJUXDKSDQQ-MRXNPFEDSA-N 2 1 337.508 2.905 20 10 EFCDMP CN1CCN(c2ccc(C[N@@H+](C[C@H]3CCOC3)C3CC3)cc2F)CC1 ZINC001319798863 1328993177 /nfs/dbraw/zinc/99/31/77/1328993177.db2.gz OVKZRBHYSMLACX-QGZVFWFLSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+](C[C@H]3CCOC3)C3CC3)cc2F)CC1 ZINC001319798863 1328993182 /nfs/dbraw/zinc/99/31/82/1328993182.db2.gz OVKZRBHYSMLACX-QGZVFWFLSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+](C[C@H]3CCOC3)C3CC3)cc2F)CC1 ZINC001319798863 1328993187 /nfs/dbraw/zinc/99/31/87/1328993187.db2.gz OVKZRBHYSMLACX-QGZVFWFLSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)cc2F)CC1 ZINC001319947785 1329042164 /nfs/dbraw/zinc/04/21/64/1329042164.db2.gz DMXSKKFSNYPLJZ-YLJYHZDGSA-N 2 1 347.478 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4OCCC[C@@H]4C3)cc2F)CC1 ZINC001319947785 1329042169 /nfs/dbraw/zinc/04/21/69/1329042169.db2.gz DMXSKKFSNYPLJZ-YLJYHZDGSA-N 2 1 347.478 2.578 20 10 EFCDMP CO[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H](C)C1 ZINC001321674077 1329402480 /nfs/dbraw/zinc/40/24/80/1329402480.db2.gz KXGSZTXTLXOFSH-WBVHZDCISA-N 2 1 335.467 2.577 20 10 EFCDMP CO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H](C)C1 ZINC001321674077 1329402481 /nfs/dbraw/zinc/40/24/81/1329402481.db2.gz KXGSZTXTLXOFSH-WBVHZDCISA-N 2 1 335.467 2.577 20 10 EFCDMP C[NH2+]Cc1cccc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001325626349 1329702322 /nfs/dbraw/zinc/70/23/22/1329702322.db2.gz OREPEDRBIPMBAA-UHFFFAOYSA-N 2 1 342.462 2.909 20 10 EFCDMP CO[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(C)C ZINC001326138345 1329734628 /nfs/dbraw/zinc/73/46/28/1329734628.db2.gz NWJMDAWJJYZSBE-QGZVFWFLSA-N 2 1 337.483 2.728 20 10 EFCDMP COC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326450676 1329757805 /nfs/dbraw/zinc/75/78/05/1329757805.db2.gz AXHXKSICNMDWEQ-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP COC[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326450676 1329757807 /nfs/dbraw/zinc/75/78/07/1329757807.db2.gz AXHXKSICNMDWEQ-QGZVFWFLSA-N 2 1 335.467 2.578 20 10 EFCDMP CC[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCO1 ZINC001326996681 1330396729 /nfs/dbraw/zinc/39/67/29/1330396729.db2.gz KWGCYCCPVGTNEH-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCO1 ZINC001326996681 1330396732 /nfs/dbraw/zinc/39/67/32/1330396732.db2.gz KWGCYCCPVGTNEH-KRWDZBQOSA-N 2 1 335.467 2.578 20 10 EFCDMP CCCC[N@H+](CCCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327437897 1330478348 /nfs/dbraw/zinc/47/83/48/1330478348.db2.gz XYGUSFXRAMNKMX-UHFFFAOYSA-N 2 1 337.483 2.562 20 10 EFCDMP CCCC[N@@H+](CCCO)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327437897 1330478352 /nfs/dbraw/zinc/47/83/52/1330478352.db2.gz XYGUSFXRAMNKMX-UHFFFAOYSA-N 2 1 337.483 2.562 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](C(C)(C)O)C3)cc2F)CC1 ZINC001331084169 1330793027 /nfs/dbraw/zinc/79/30/27/1330793027.db2.gz VLOZLWMNSWLJKK-KRWDZBQOSA-N 2 1 349.494 2.560 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C(C)(C)O)C3)cc2F)CC1 ZINC001331084169 1330793028 /nfs/dbraw/zinc/79/30/28/1330793028.db2.gz VLOZLWMNSWLJKK-KRWDZBQOSA-N 2 1 349.494 2.560 20 10 EFCDMP CCOc1cccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1O ZINC001338311411 1331689979 /nfs/dbraw/zinc/68/99/79/1331689979.db2.gz YFNYTLNRBIJEGK-UHFFFAOYSA-N 2 1 334.460 2.524 20 10 EFCDMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001338734680 1331731214 /nfs/dbraw/zinc/73/12/14/1331731214.db2.gz FDCFWCYZCZDPGM-GUXCAODWSA-N 2 1 349.494 2.559 20 10 EFCDMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001338734680 1331731217 /nfs/dbraw/zinc/73/12/17/1331731217.db2.gz FDCFWCYZCZDPGM-GUXCAODWSA-N 2 1 349.494 2.559 20 10 EFCDMP CCN(CC)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000848520451 1334770548 /nfs/dbraw/zinc/77/05/48/1334770548.db2.gz JENGZBFJMKKSDL-HXUWFJFHSA-N 2 1 331.504 2.876 20 10 EFCDMP COc1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000161613770 716077292 /nfs/dbraw/zinc/07/72/92/716077292.db2.gz RGVIBFFSFLIBKC-PKOBYXMFSA-N 2 1 329.488 2.880 20 10 EFCDMP COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(O)c1OC ZINC000894479411 722752096 /nfs/dbraw/zinc/75/20/96/722752096.db2.gz PFOQVYSQBNQMSW-HNNXBMFYSA-N 2 1 334.460 2.573 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(Cl)cs3)cc2)CC1 ZINC000895607708 724221800 /nfs/dbraw/zinc/22/18/00/724221800.db2.gz UJOYCUDSCNWDJP-UHFFFAOYSA-N 2 1 336.892 2.838 20 10 EFCDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158257225 728326528 /nfs/dbraw/zinc/32/65/28/728326528.db2.gz JCZMEXBCGTYKEH-HZPDHXFCSA-N 2 1 335.467 2.655 20 10 EFCDMP CCN(CC)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000171846224 728556027 /nfs/dbraw/zinc/55/60/27/728556027.db2.gz JBQIYVHQSKAAGQ-UHFFFAOYSA-N 2 1 344.547 2.746 20 10 EFCDMP CC1(C)[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]2CCC[NH2+][C@H]21 ZINC001576392098 1089180952 /nfs/dbraw/zinc/18/09/52/1089180952.db2.gz WTLJFTKLWDZALZ-ATZDWAIDSA-N 2 1 347.478 2.529 20 10 EFCDMP COC1CCN(c2ccc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC001578941090 1090484277 /nfs/dbraw/zinc/48/42/77/1090484277.db2.gz ODJGYOWWGJGRLS-WMZOPIPTSA-N 2 1 331.504 2.861 20 10 EFCDMP COC1CCN(c2ccc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC001578941084 1090484297 /nfs/dbraw/zinc/48/42/97/1090484297.db2.gz ODJGYOWWGJGRLS-AEFFLSMTSA-N 2 1 331.504 2.861 20 10 EFCDMP COc1ccc(N2CCC([NH2+]C[C@H]([NH3+])CC(F)(F)F)CC2)cc1 ZINC001579225227 1090551675 /nfs/dbraw/zinc/55/16/75/1090551675.db2.gz GJZWSGQLZWDABV-GFCCVEGCSA-N 2 1 331.382 2.533 20 10 EFCDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)C1 ZINC001580201191 1090808023 /nfs/dbraw/zinc/80/80/23/1090808023.db2.gz XIMBYKUUDMBNEJ-CJBNDPTMSA-N 2 1 342.842 2.903 20 10 EFCDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)C1 ZINC001580201191 1090808030 /nfs/dbraw/zinc/80/80/30/1090808030.db2.gz XIMBYKUUDMBNEJ-CJBNDPTMSA-N 2 1 342.842 2.903 20 10 EFCDMP Oc1cccc(Br)c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001140098505 1102123093 /nfs/dbraw/zinc/12/30/93/1102123093.db2.gz CFYBXSDTNZPIEL-UHFFFAOYSA-N 2 1 348.244 2.872 20 10 EFCDMP CN(C)c1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000898450138 1108943693 /nfs/dbraw/zinc/94/36/93/1108943693.db2.gz OGYWDEGGMCDWRT-SXLOBPIMSA-N 2 1 330.520 2.572 20 10 EFCDMP C[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000177386449 530050507 /nfs/dbraw/zinc/05/05/07/530050507.db2.gz PZAGLGBILDXDBH-OAHLLOKOSA-N 2 1 339.430 2.941 20 10 EFCDMP Oc1ccc(-c2ccccc2)cc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000263880329 240391043 /nfs/dbraw/zinc/39/10/43/240391043.db2.gz BUIYUHNUBPJAJK-UHFFFAOYSA-N 2 1 340.467 2.996 20 10 EFCDMP Oc1cccc2c1[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000296490613 241087574 /nfs/dbraw/zinc/08/75/74/241087574.db2.gz POHIGHPVPFTFBH-MOPGFXCFSA-N 2 1 338.451 2.736 20 10 EFCDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(C)c3O)C2)CC1 ZINC000180069505 473790389 /nfs/dbraw/zinc/79/03/89/473790389.db2.gz COFSVPPOWABZII-QGZVFWFLSA-N 2 1 337.895 2.566 20 10 EFCDMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000282180254 473972507 /nfs/dbraw/zinc/97/25/07/473972507.db2.gz FPMWFBNXKIWOTJ-LJQANCHMSA-N 2 1 332.536 2.819 20 10 EFCDMP COc1ccc(N2CC[NH+](CCCn3cc[nH+]c3C)CC2)cc1F ZINC000270650041 474205497 /nfs/dbraw/zinc/20/54/97/474205497.db2.gz OOTXJWVEDNRPMP-UHFFFAOYSA-N 2 1 332.423 2.552 20 10 EFCDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271873204 474596831 /nfs/dbraw/zinc/59/68/31/474596831.db2.gz NGHFCJDDTWBZPV-OAHLLOKOSA-N 2 1 333.451 2.575 20 10 EFCDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc(F)c3O)CC2)C[C@@H](C)O1 ZINC000272312909 474608526 /nfs/dbraw/zinc/60/85/26/474608526.db2.gz SALGQLYBCVUVOC-HUUCEWRRSA-N 2 1 336.451 2.853 20 10 EFCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780992 475042269 /nfs/dbraw/zinc/04/22/69/475042269.db2.gz PTLAEUCFCQHRSE-CVAIRZPRSA-N 2 1 347.478 2.940 20 10 EFCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCOCC2)c(F)c1 ZINC000268780992 475042278 /nfs/dbraw/zinc/04/22/78/475042278.db2.gz PTLAEUCFCQHRSE-CVAIRZPRSA-N 2 1 347.478 2.940 20 10 EFCDMP OC1CCN(c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2F)CC1 ZINC000298540413 527516873 /nfs/dbraw/zinc/51/68/73/527516873.db2.gz SXRKLCXZZZZGJC-UHFFFAOYSA-N 2 1 347.478 2.503 20 10 EFCDMP c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754784660 575489563 /nfs/dbraw/zinc/48/95/63/575489563.db2.gz IGVRKYDCUPIOFP-MJGOQNOKSA-N 2 1 331.529 2.956 20 10 EFCDMP COc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000756572651 575764373 /nfs/dbraw/zinc/76/43/73/575764373.db2.gz HHUNFOKVOBCANN-RHSMWYFYSA-N 2 1 334.460 2.695 20 10 EFCDMP COc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000764965226 576529749 /nfs/dbraw/zinc/52/97/49/576529749.db2.gz JEIZUIJWEVPXSV-UXHICEINSA-N 2 1 329.488 2.880 20 10 EFCDMP COc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000764965226 576529750 /nfs/dbraw/zinc/52/97/50/576529750.db2.gz JEIZUIJWEVPXSV-UXHICEINSA-N 2 1 329.488 2.880 20 10 EFCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000769471342 577364985 /nfs/dbraw/zinc/36/49/85/577364985.db2.gz SSAQJWCBMNXSNK-YLJYHZDGSA-N 2 1 331.504 2.828 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000769471342 577364987 /nfs/dbraw/zinc/36/49/87/577364987.db2.gz SSAQJWCBMNXSNK-YLJYHZDGSA-N 2 1 331.504 2.828 20 10 EFCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000769471342 577364989 /nfs/dbraw/zinc/36/49/89/577364989.db2.gz SSAQJWCBMNXSNK-YLJYHZDGSA-N 2 1 331.504 2.828 20 10 EFCDMP CCOc1ccc(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)c(O)c1 ZINC000769514298 577368791 /nfs/dbraw/zinc/36/87/91/577368791.db2.gz IXTVYNQITKNXOW-GOSISDBHSA-N 2 1 336.476 2.724 20 10 EFCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)c1 ZINC000769514382 577368910 /nfs/dbraw/zinc/36/89/10/577368910.db2.gz KIWDEONYDWFLBZ-GOSISDBHSA-N 2 1 336.476 2.724 20 10 EFCDMP C[NH+]1CCN(c2ccc(CNC3CC(C)(C)[NH2+]C(C)(C)C3)cc2)CC1 ZINC000771823333 581247657 /nfs/dbraw/zinc/24/76/57/581247657.db2.gz LKIKQHVHMKQOGN-UHFFFAOYSA-N 2 1 344.547 2.837 20 10 EFCDMP Oc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314189 1252074792 /nfs/dbraw/zinc/07/47/92/1252074792.db2.gz JTVMMCFEUGMRQA-TXEJJXNPSA-N 2 1 325.250 2.586 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCSC[C@H]3C3CC3)cc2)CC1 ZINC000824914544 1278340439 /nfs/dbraw/zinc/34/04/39/1278340439.db2.gz UNVCVKYUXGYBIF-IBGZPJMESA-N 2 1 331.529 2.766 20 10 EFCDMP COc1c(O)c(C[NH2+]C(C)(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000824914523 1278340818 /nfs/dbraw/zinc/34/08/18/1278340818.db2.gz TXTAJGRIODCVFY-UHFFFAOYSA-N 2 1 325.409 2.519 20 10 EFCDMP Cc1cc(O)c(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000825283138 1278492869 /nfs/dbraw/zinc/49/28/69/1278492869.db2.gz GDMZICZEMCALGP-HNNXBMFYSA-N 2 1 326.868 2.681 20 10 EFCDMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000702553185 1271479179 /nfs/dbraw/zinc/47/91/79/1271479179.db2.gz IWCGFMZWIFALLO-LAUBAEHRSA-N 2 1 340.467 2.988 20 10 EFCDMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000702553185 1271479184 /nfs/dbraw/zinc/47/91/84/1271479184.db2.gz IWCGFMZWIFALLO-LAUBAEHRSA-N 2 1 340.467 2.988 20 10 EFCDMP Oc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000691447767 1274087859 /nfs/dbraw/zinc/08/78/59/1274087859.db2.gz VSRLAACTPQQDBX-UONOGXRCSA-N 2 1 325.250 2.871 20 10 EFCDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000691455338 1274132269 /nfs/dbraw/zinc/13/22/69/1274132269.db2.gz NYUYSIISXSKLDZ-GFCCVEGCSA-N 2 1 327.266 2.976 20 10 EFCDMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000706854212 1275054430 /nfs/dbraw/zinc/05/44/30/1275054430.db2.gz VYUUFZGIFQDOOZ-GFCCVEGCSA-N 2 1 327.266 2.976 20 10 EFCDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000706854212 1275054439 /nfs/dbraw/zinc/05/44/39/1275054439.db2.gz VYUUFZGIFQDOOZ-GFCCVEGCSA-N 2 1 327.266 2.976 20 10 EFCDMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000706871958 1275065913 /nfs/dbraw/zinc/06/59/13/1275065913.db2.gz TVUCETKPPIPLJS-GFCCVEGCSA-N 2 1 327.266 2.975 20 10 EFCDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000706871958 1275065918 /nfs/dbraw/zinc/06/59/18/1275065918.db2.gz TVUCETKPPIPLJS-GFCCVEGCSA-N 2 1 327.266 2.975 20 10 EFCDMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000788258252 1276109693 /nfs/dbraw/zinc/10/96/93/1276109693.db2.gz VAVJRDHPSKJERG-CQSZACIVSA-N 2 1 348.878 2.803 20 10 EFCDMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817888605 1276347684 /nfs/dbraw/zinc/34/76/84/1276347684.db2.gz MZJCULLJRUEHOJ-HZPDHXFCSA-N 2 1 343.393 2.511 20 10 EFCDMP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000817899342 1276366111 /nfs/dbraw/zinc/36/61/11/1276366111.db2.gz LGTFGNCGIQXQDH-JKIFEVAISA-N 2 1 339.430 2.987 20 10 EFCDMP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1O ZINC000817936312 1276382127 /nfs/dbraw/zinc/38/21/27/1276382127.db2.gz NWEXOQIQSMIUTE-LLVKDONJSA-N 2 1 332.275 2.645 20 10 EFCDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(N3CCOCC3)c(F)c1)CC[NH2+]CC2 ZINC000818431316 1276522120 /nfs/dbraw/zinc/52/21/20/1276522120.db2.gz IXPRMZYGFWKFFS-MRXNPFEDSA-N 2 1 347.478 2.626 20 10 EFCDMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1N(C)C ZINC000815078040 1287302071 /nfs/dbraw/zinc/30/20/71/1287302071.db2.gz LZPUSWSABYUTGG-GHTZIAJQSA-N 2 1 344.547 2.519 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H](C(C)(C)C)C3)cc2)CC1 ZINC000790930884 1277853301 /nfs/dbraw/zinc/85/33/01/1277853301.db2.gz JXAZTSNVYINCEZ-LJQANCHMSA-N 2 1 331.504 2.685 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000844902229 1279325261 /nfs/dbraw/zinc/32/52/61/1279325261.db2.gz MDVVQSBKIUVQOV-BXWFABGCSA-N 2 1 335.467 2.610 20 10 EFCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000844902457 1279325455 /nfs/dbraw/zinc/32/54/55/1279325455.db2.gz MYINEGWICGNXKF-NSHGMRRFSA-N 2 1 331.504 2.779 20 10 EFCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000844902456 1279325750 /nfs/dbraw/zinc/32/57/50/1279325750.db2.gz MYINEGWICGNXKF-NLWGTHIKSA-N 2 1 331.504 2.779 20 10 EFCDMP CO[C@@]1(C)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000793339880 1279559198 /nfs/dbraw/zinc/55/91/98/1279559198.db2.gz NMMXPZMNTCPENX-FQEVSTJZSA-N 2 1 331.504 2.829 20 10 EFCDMP COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001146600034 1280947255 /nfs/dbraw/zinc/94/72/55/1280947255.db2.gz DSUSHHMOUBVLAQ-SJORKVTESA-N 2 1 349.519 2.717 20 10 EFCDMP CN(Cc1ncc(C[NH+](C)C)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000809639283 1282355681 /nfs/dbraw/zinc/35/56/81/1282355681.db2.gz JYVRGTWCFGVMEO-UHFFFAOYSA-N 2 1 348.516 2.782 20 10 EFCDMP C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809700359 1282384021 /nfs/dbraw/zinc/38/40/21/1282384021.db2.gz FBCIMHLYMZATRW-WIYYLYMNSA-N 2 1 345.531 2.954 20 10 EFCDMP C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809700356 1282384216 /nfs/dbraw/zinc/38/42/16/1282384216.db2.gz FBCIMHLYMZATRW-GHTZIAJQSA-N 2 1 345.531 2.954 20 10 EFCDMP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(O)ccc(Cl)c1F ZINC000809727014 1282409133 /nfs/dbraw/zinc/40/91/33/1282409133.db2.gz CBGSBEJTBSZKRD-UHFFFAOYSA-N 2 1 345.890 2.890 20 10 EFCDMP CCOc1cccc(CN(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1O ZINC000809737049 1282437571 /nfs/dbraw/zinc/43/75/71/1282437571.db2.gz CFJNXTNMLNGSOP-SFHVURJKSA-N 2 1 349.519 2.639 20 10 EFCDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809749287 1282449142 /nfs/dbraw/zinc/44/91/42/1282449142.db2.gz MDWMGYHOBTVISK-UHFFFAOYSA-N 3 1 346.563 2.992 20 10 EFCDMP CCN(CCC[NH+](CC)CC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809749287 1282449143 /nfs/dbraw/zinc/44/91/43/1282449143.db2.gz MDWMGYHOBTVISK-UHFFFAOYSA-N 2 1 346.563 2.992 20 10 EFCDMP Cc1cc(C)c([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(O)c1 ZINC000815575933 1287608215 /nfs/dbraw/zinc/60/82/15/1287608215.db2.gz FGRYVOUVXDORJV-QGZVFWFLSA-N 2 1 333.520 2.933 20 10 EFCDMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810238079 1283089054 /nfs/dbraw/zinc/08/90/54/1283089054.db2.gz XXWIKPGSKCWGED-DZGCQCFKSA-N 2 1 332.366 2.518 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@H](C4CCC4)C3)cc2)CC1 ZINC000814178592 1286360511 /nfs/dbraw/zinc/36/05/11/1286360511.db2.gz WJBPRKJCILUOBY-FQEVSTJZSA-N 2 1 343.515 2.687 20 10 EFCDMP CN(CCC[N@H+](C)Cc1cc(Cl)c(F)cc1O)CC[NH+](C)C ZINC000816613533 1288225782 /nfs/dbraw/zinc/22/57/82/1288225782.db2.gz XWGCGRJSTSOBAB-UHFFFAOYSA-N 2 1 331.863 2.500 20 10 EFCDMP CN(CCC[N@@H+](C)Cc1cc(Cl)c(F)cc1O)CC[NH+](C)C ZINC000816613533 1288225786 /nfs/dbraw/zinc/22/57/86/1288225786.db2.gz XWGCGRJSTSOBAB-UHFFFAOYSA-N 2 1 331.863 2.500 20 10 EFCDMP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000824172748 1289561445 /nfs/dbraw/zinc/56/14/45/1289561445.db2.gz RBAXZZNOOHQCAE-LJQANCHMSA-N 2 1 345.512 2.541 20 10 EFCDMP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000824172748 1289561453 /nfs/dbraw/zinc/56/14/53/1289561453.db2.gz RBAXZZNOOHQCAE-LJQANCHMSA-N 2 1 345.512 2.541 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@@H](C)C1 ZINC000247072782 1289866725 /nfs/dbraw/zinc/86/67/25/1289866725.db2.gz QHIJVYLSJVDIJA-JXFKEZNVSA-N 2 1 331.504 2.984 20 10 EFCDMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232840242 1312792832 /nfs/dbraw/zinc/79/28/32/1312792832.db2.gz QSCNBSMXDDGFEF-IBGZPJMESA-N 2 1 347.503 2.533 20 10 EFCDMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232840242 1312792836 /nfs/dbraw/zinc/79/28/36/1312792836.db2.gz QSCNBSMXDDGFEF-IBGZPJMESA-N 2 1 347.503 2.533 20 10 EFCDMP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841562 1312793156 /nfs/dbraw/zinc/79/31/56/1312793156.db2.gz JWIULZWFMDRTML-QGZVFWFLSA-N 2 1 327.428 2.815 20 10 EFCDMP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841562 1312793158 /nfs/dbraw/zinc/79/31/58/1312793158.db2.gz JWIULZWFMDRTML-QGZVFWFLSA-N 2 1 327.428 2.815 20 10 EFCDMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232840243 1312793264 /nfs/dbraw/zinc/79/32/64/1312793264.db2.gz QSCNBSMXDDGFEF-LJQANCHMSA-N 2 1 347.503 2.533 20 10 EFCDMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232840243 1312793267 /nfs/dbraw/zinc/79/32/67/1312793267.db2.gz QSCNBSMXDDGFEF-LJQANCHMSA-N 2 1 347.503 2.533 20 10 EFCDMP Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(O)c1 ZINC000876886142 1291058305 /nfs/dbraw/zinc/05/83/05/1291058305.db2.gz VJQHMBCLPDWDSY-QGZVFWFLSA-N 2 1 345.512 2.840 20 10 EFCDMP Cc1cccc(O)c1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000876886085 1291058478 /nfs/dbraw/zinc/05/84/78/1291058478.db2.gz TXLITCRGJZLVRJ-KRWDZBQOSA-N 2 1 345.512 2.840 20 10 EFCDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877552077 1291272650 /nfs/dbraw/zinc/27/26/50/1291272650.db2.gz PTFNEOHMHUJFBS-OAQYLSRUSA-N 2 1 343.515 2.565 20 10 EFCDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877552077 1291272654 /nfs/dbraw/zinc/27/26/54/1291272654.db2.gz PTFNEOHMHUJFBS-OAQYLSRUSA-N 2 1 343.515 2.565 20 10 EFCDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877552077 1291272658 /nfs/dbraw/zinc/27/26/58/1291272658.db2.gz PTFNEOHMHUJFBS-OAQYLSRUSA-N 2 1 343.515 2.565 20 10 EFCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233768137 1312987860 /nfs/dbraw/zinc/98/78/60/1312987860.db2.gz KPNGNUBMIJBTRA-IUODEOHRSA-N 2 1 330.350 2.674 20 10 EFCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001233768137 1312987864 /nfs/dbraw/zinc/98/78/64/1312987864.db2.gz KPNGNUBMIJBTRA-IUODEOHRSA-N 2 1 330.350 2.674 20 10 EFCDMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882898665 1293376251 /nfs/dbraw/zinc/37/62/51/1293376251.db2.gz QRKSFUDZGUHQLK-UHFFFAOYSA-N 2 1 336.382 2.901 20 10 EFCDMP Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccc(O)c(O)c4)C[C@H]3C2)cc1 ZINC001203878458 1313040098 /nfs/dbraw/zinc/04/00/98/1313040098.db2.gz UTIOASLMUGGZCZ-KDURUIRLSA-N 2 1 338.451 2.970 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccccc1O ZINC000775655746 1293929256 /nfs/dbraw/zinc/92/92/56/1293929256.db2.gz LDJXHOZOIJSAOG-UHFFFAOYSA-N 2 1 325.456 2.776 20 10 EFCDMP C[NH+]1CCN(c2ccc(CN3CCC[N@H+](C(C)(C)C)CC3)cc2)CC1 ZINC000775665284 1293961201 /nfs/dbraw/zinc/96/12/01/1293961201.db2.gz KLCKQGDGLHEUET-UHFFFAOYSA-N 2 1 344.547 2.745 20 10 EFCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775724113 1294273453 /nfs/dbraw/zinc/27/34/53/1294273453.db2.gz GXMXSFBTOFXWIA-HXUWFJFHSA-N 3 1 344.547 2.602 20 10 EFCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775724113 1294273456 /nfs/dbraw/zinc/27/34/56/1294273456.db2.gz GXMXSFBTOFXWIA-HXUWFJFHSA-N 3 1 344.547 2.602 20 10 EFCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775724113 1294273460 /nfs/dbraw/zinc/27/34/60/1294273460.db2.gz GXMXSFBTOFXWIA-HXUWFJFHSA-N 3 1 344.547 2.602 20 10 EFCDMP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775724113 1294273464 /nfs/dbraw/zinc/27/34/64/1294273464.db2.gz GXMXSFBTOFXWIA-HXUWFJFHSA-N 2 1 344.547 2.602 20 10 EFCDMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775724113 1294273468 /nfs/dbraw/zinc/27/34/68/1294273468.db2.gz GXMXSFBTOFXWIA-HXUWFJFHSA-N 2 1 344.547 2.602 20 10 EFCDMP C[N@@H+](CCc1nccs1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775734629 1294310688 /nfs/dbraw/zinc/31/06/88/1294310688.db2.gz UINDQMBMFSQGDE-UHFFFAOYSA-N 2 1 330.501 2.569 20 10 EFCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001276446194 1313097107 /nfs/dbraw/zinc/09/71/07/1313097107.db2.gz SLJAZJUMHJXSHA-APWZRJJASA-N 2 1 345.531 2.757 20 10 EFCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(C(C)(C)C)ccc1O ZINC001276445513 1313094142 /nfs/dbraw/zinc/09/41/42/1313094142.db2.gz NWBDLLLSTPEGMC-HDICACEKSA-N 2 1 331.504 2.510 20 10 EFCDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204324041 1313122943 /nfs/dbraw/zinc/12/29/43/1313122943.db2.gz XFXMWDYADDGKHU-UHFFFAOYSA-N 2 1 342.487 2.917 20 10 EFCDMP COc1ccc2ccc(O)c(C[N@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)c2c1 ZINC001234569329 1313160165 /nfs/dbraw/zinc/16/01/65/1313160165.db2.gz LLJDFXIIBRSSOA-FOIQADDNSA-N 2 1 326.440 2.938 20 10 EFCDMP Oc1c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc2c3c1CCCN3CCC2 ZINC001234994760 1313219054 /nfs/dbraw/zinc/21/90/54/1313219054.db2.gz VZQSIQDLECADJC-NRFANRHFSA-N 2 1 341.499 2.667 20 10 EFCDMP OC1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC000305358484 1296163134 /nfs/dbraw/zinc/16/31/34/1296163134.db2.gz SMIFMJDVPFFWEK-IRXDYDNUSA-N 2 1 347.478 2.503 20 10 EFCDMP OC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC000305358484 1296163139 /nfs/dbraw/zinc/16/31/39/1296163139.db2.gz SMIFMJDVPFFWEK-IRXDYDNUSA-N 2 1 347.478 2.503 20 10 EFCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235021936 1313226032 /nfs/dbraw/zinc/22/60/32/1313226032.db2.gz KYBSMVARGONGNZ-HXUWFJFHSA-N 2 1 332.488 2.892 20 10 EFCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235021936 1313226034 /nfs/dbraw/zinc/22/60/34/1313226034.db2.gz KYBSMVARGONGNZ-HXUWFJFHSA-N 2 1 332.488 2.892 20 10 EFCDMP Oc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275267348 1296247312 /nfs/dbraw/zinc/24/73/12/1296247312.db2.gz MAPIHVYZMIMIOS-FQEVSTJZSA-N 2 1 340.471 2.577 20 10 EFCDMP Oc1ccccc1C[NH+]1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275267348 1296247319 /nfs/dbraw/zinc/24/73/19/1296247319.db2.gz MAPIHVYZMIMIOS-FQEVSTJZSA-N 2 1 340.471 2.577 20 10 EFCDMP Oc1ccccc1C[NH+]1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275267348 1296247329 /nfs/dbraw/zinc/24/73/29/1296247329.db2.gz MAPIHVYZMIMIOS-FQEVSTJZSA-N 2 1 340.471 2.577 20 10 EFCDMP O=c1cccc(C[NH+]2CC3(C2)CC[NH+](Cc2ccccc2O)CC3)[nH]1 ZINC001275267435 1296247374 /nfs/dbraw/zinc/24/73/74/1296247374.db2.gz OMAVSKSESCHSCQ-UHFFFAOYSA-N 2 1 339.439 2.591 20 10 EFCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001205280965 1313263654 /nfs/dbraw/zinc/26/36/54/1313263654.db2.gz NDIZNHUEKKSESK-GOSISDBHSA-N 2 1 337.895 2.880 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001205317367 1313268969 /nfs/dbraw/zinc/26/89/69/1313268969.db2.gz OFYKXFYHCOXDGA-CABCVRRESA-N 2 1 343.471 2.772 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001205317367 1313268973 /nfs/dbraw/zinc/26/89/73/1313268973.db2.gz OFYKXFYHCOXDGA-CABCVRRESA-N 2 1 343.471 2.772 20 10 EFCDMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1O ZINC001276080233 1296594592 /nfs/dbraw/zinc/59/45/92/1296594592.db2.gz KUDHESZLIOOKOG-HDICACEKSA-N 2 1 340.471 2.768 20 10 EFCDMP Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1O ZINC001276080233 1296594603 /nfs/dbraw/zinc/59/46/03/1296594603.db2.gz KUDHESZLIOOKOG-HDICACEKSA-N 2 1 340.471 2.768 20 10 EFCDMP Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1O ZINC001276080233 1296594614 /nfs/dbraw/zinc/59/46/14/1296594614.db2.gz KUDHESZLIOOKOG-HDICACEKSA-N 2 1 340.471 2.768 20 10 EFCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235408524 1313315039 /nfs/dbraw/zinc/31/50/39/1313315039.db2.gz UJVVMIJHNYBBCW-HUUCEWRRSA-N 2 1 332.341 2.935 20 10 EFCDMP C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)CC[C@H]1C[NH3+] ZINC001205602674 1313320721 /nfs/dbraw/zinc/32/07/21/1313320721.db2.gz LKTVYNSLWVMLQH-NEPJUHHUSA-N 2 1 327.266 2.962 20 10 EFCDMP C[C@@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@@H]1C[NH3+] ZINC001205617349 1313324012 /nfs/dbraw/zinc/32/40/12/1313324012.db2.gz JCRFOLFKHNSZAT-NVXWUHKLSA-N 2 1 343.515 2.898 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)cc2)CC1 ZINC001205627232 1313325988 /nfs/dbraw/zinc/32/59/88/1313325988.db2.gz ODVXHNKRNDLCBY-UYAOXDASSA-N 3 1 344.547 2.635 20 10 EFCDMP Nc1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc1 ZINC001235558384 1313351478 /nfs/dbraw/zinc/35/14/78/1313351478.db2.gz HWMOILMVHSSYRK-UHFFFAOYSA-N 2 1 325.460 2.513 20 10 EFCDMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001205819388 1313361206 /nfs/dbraw/zinc/36/12/06/1313361206.db2.gz XLKXNWKXHSLGLM-WMLDXEAASA-N 2 1 329.488 2.650 20 10 EFCDMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001205819388 1313361202 /nfs/dbraw/zinc/36/12/02/1313361202.db2.gz XLKXNWKXHSLGLM-WMLDXEAASA-N 2 1 329.488 2.650 20 10 EFCDMP C[N@@H+](CCCc1ccccc1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235670182 1313371253 /nfs/dbraw/zinc/37/12/53/1313371253.db2.gz RZHSTEJDJWBHTE-UHFFFAOYSA-N 2 1 326.440 2.939 20 10 EFCDMP c1ccc(O[C@@H]2CC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001235674806 1313372122 /nfs/dbraw/zinc/37/21/22/1313372122.db2.gz PQUJISGJPMSWEA-OAQYLSRUSA-N 2 1 337.467 2.750 20 10 EFCDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c(O)cccc1Br ZINC001235716457 1313382274 /nfs/dbraw/zinc/38/22/74/1313382274.db2.gz CRDKAFBGWSCVST-UHFFFAOYSA-N 2 1 327.266 2.976 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)cc2)CC1 ZINC001206005517 1313389796 /nfs/dbraw/zinc/38/97/96/1313389796.db2.gz YJUPBSJYWJIDIX-UYAOXDASSA-N 3 1 344.547 2.635 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)cc2)CC1 ZINC001206005516 1313389991 /nfs/dbraw/zinc/38/99/91/1313389991.db2.gz YJUPBSJYWJIDIX-QUCCMNQESA-N 3 1 344.547 2.635 20 10 EFCDMP C[C@@H]1C[N@@H+](Cc2cc(O)c(Br)cc2O)CCC[C@H]1C[NH3+] ZINC001206024570 1313393820 /nfs/dbraw/zinc/39/38/20/1313393820.db2.gz KIEMZKPDMNCMIX-MNOVXSKESA-N 2 1 343.265 2.667 20 10 EFCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001235865479 1313412336 /nfs/dbraw/zinc/41/23/36/1313412336.db2.gz DTDVVVKJQWCGLW-LPHOPBHVSA-N 2 1 329.488 2.956 20 10 EFCDMP Cc1cc(Br)cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1O ZINC001206197393 1313419845 /nfs/dbraw/zinc/41/98/45/1313419845.db2.gz IFOVUMCCGCGJBP-OLZOCXBDSA-N 2 1 331.229 2.724 20 10 EFCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1O ZINC001206197393 1313419846 /nfs/dbraw/zinc/41/98/46/1313419846.db2.gz IFOVUMCCGCGJBP-OLZOCXBDSA-N 2 1 331.229 2.724 20 10 EFCDMP CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)Cc1ccccc1F ZINC001235961071 1313423128 /nfs/dbraw/zinc/42/31/28/1313423128.db2.gz WXVLAHXWTAWJGM-UHFFFAOYSA-N 2 1 343.446 2.963 20 10 EFCDMP CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236043232 1313433458 /nfs/dbraw/zinc/43/34/58/1313433458.db2.gz XKYKMWRGVKLXJJ-UHFFFAOYSA-N 2 1 343.446 2.963 20 10 EFCDMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001206370235 1313443516 /nfs/dbraw/zinc/44/35/16/1313443516.db2.gz MLMZTJFLAXNXRD-AWEZNQCLSA-N 2 1 336.329 2.944 20 10 EFCDMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001206370235 1313443518 /nfs/dbraw/zinc/44/35/18/1313443518.db2.gz MLMZTJFLAXNXRD-AWEZNQCLSA-N 2 1 336.329 2.944 20 10 EFCDMP Oc1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cccc1OC(F)(F)F ZINC001236321971 1313468995 /nfs/dbraw/zinc/46/89/95/1313468995.db2.gz YJSDHLPKNPANAC-TXEJJXNPSA-N 2 1 330.350 2.722 20 10 EFCDMP COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2c1 ZINC001236321023 1313469005 /nfs/dbraw/zinc/46/90/05/1313469005.db2.gz NLJDFZCQOJPFBX-IYBDPMFKSA-N 2 1 326.440 2.985 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC001206556267 1313475766 /nfs/dbraw/zinc/47/57/66/1313475766.db2.gz PXIPTIDURDHBOS-OAQYLSRUSA-N 3 1 344.547 2.779 20 10 EFCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001236434790 1313480987 /nfs/dbraw/zinc/48/09/87/1313480987.db2.gz VTUNJRTULXGQAH-NRFANRHFSA-N 2 1 343.515 2.877 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236467506 1313484664 /nfs/dbraw/zinc/48/46/64/1313484664.db2.gz FXHHAWFCHQPWKP-OAQYLSRUSA-N 3 1 344.547 2.791 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236467506 1313484667 /nfs/dbraw/zinc/48/46/67/1313484667.db2.gz FXHHAWFCHQPWKP-OAQYLSRUSA-N 3 1 344.547 2.791 20 10 EFCDMP CC(C)C[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554772 1313491683 /nfs/dbraw/zinc/49/16/83/1313491683.db2.gz UXCPEJGJCYTYBY-IYARVYRRSA-N 2 1 347.503 2.602 20 10 EFCDMP CC(C)C[N@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554772 1313491687 /nfs/dbraw/zinc/49/16/87/1313491687.db2.gz UXCPEJGJCYTYBY-IYARVYRRSA-N 2 1 347.503 2.602 20 10 EFCDMP CC(C)C[N@@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554772 1313491690 /nfs/dbraw/zinc/49/16/90/1313491690.db2.gz UXCPEJGJCYTYBY-IYARVYRRSA-N 2 1 347.503 2.602 20 10 EFCDMP CC[N@H+](CCC[NH+](C)C)Cc1cc(OC)c(Br)cc1O ZINC001236752572 1313522175 /nfs/dbraw/zinc/52/21/75/1313522175.db2.gz ZEUGVKRIMXUBOU-UHFFFAOYSA-N 2 1 345.281 2.937 20 10 EFCDMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)c(Br)cc1O ZINC001236752572 1313522177 /nfs/dbraw/zinc/52/21/77/1313522177.db2.gz ZEUGVKRIMXUBOU-UHFFFAOYSA-N 2 1 345.281 2.937 20 10 EFCDMP COc1cc(O)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1OC ZINC001236755290 1313522732 /nfs/dbraw/zinc/52/27/32/1313522732.db2.gz APTMBSBKLHYTOU-UHFFFAOYSA-N 2 1 336.476 2.962 20 10 EFCDMP COc1cc(C)c(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c(O)c1 ZINC001236816897 1313535555 /nfs/dbraw/zinc/53/55/55/1313535555.db2.gz YDHFSQQJEVUTAM-UHFFFAOYSA-N 2 1 348.487 2.784 20 10 EFCDMP C[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)Cc1ccccc1O ZINC001236891988 1313547560 /nfs/dbraw/zinc/54/75/60/1313547560.db2.gz FCUFXOYAQGYXRG-UHFFFAOYSA-N 2 1 325.456 2.776 20 10 EFCDMP CN1CCC([N@H+](C)Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236929719 1313555346 /nfs/dbraw/zinc/55/53/46/1313555346.db2.gz SQGSHKZVEYHMIJ-UHFFFAOYSA-N 2 1 337.895 2.703 20 10 EFCDMP CN1CCC([N@@H+](C)Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236929719 1313555348 /nfs/dbraw/zinc/55/53/48/1313555348.db2.gz SQGSHKZVEYHMIJ-UHFFFAOYSA-N 2 1 337.895 2.703 20 10 EFCDMP CO[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236934004 1313556811 /nfs/dbraw/zinc/55/68/11/1313556811.db2.gz BMKFEEUBTWCPMT-SFHVURJKSA-N 2 1 335.467 2.578 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCCO[C@@H]4C3)c(F)c2)CC1 ZINC001236935213 1313557497 /nfs/dbraw/zinc/55/74/97/1313557497.db2.gz GMOAOLGFVSNSRE-OXJNMPFZSA-N 2 1 347.478 2.578 20 10 EFCDMP Cc1cc(C)c(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276365579 1299017657 /nfs/dbraw/zinc/01/76/57/1299017657.db2.gz RGWNNFYGPQRNHN-OAQYLSRUSA-N 2 1 345.531 2.859 20 10 EFCDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)cc(C)cc1O ZINC001276365616 1299023213 /nfs/dbraw/zinc/02/32/13/1299023213.db2.gz SRQLKRUNRWQBHJ-AYHJJNSGSA-N 2 1 348.487 2.715 20 10 EFCDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)cc(C)cc1O ZINC001276365616 1299023225 /nfs/dbraw/zinc/02/32/25/1299023225.db2.gz SRQLKRUNRWQBHJ-AYHJJNSGSA-N 2 1 348.487 2.715 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c2ccccc2n1C ZINC001237080195 1313583250 /nfs/dbraw/zinc/58/32/50/1313583250.db2.gz DSVXLUISVHIUJT-HXUWFJFHSA-N 2 1 343.471 2.916 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c2ccccc2n1C ZINC001237080195 1313583253 /nfs/dbraw/zinc/58/32/53/1313583253.db2.gz DSVXLUISVHIUJT-HXUWFJFHSA-N 2 1 343.471 2.916 20 10 EFCDMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c2ccccc21 ZINC000854230228 1300478669 /nfs/dbraw/zinc/47/86/69/1300478669.db2.gz KHZBNZVONDRHAM-LEWJYISDSA-N 2 1 337.467 2.882 20 10 EFCDMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c2ccccc21 ZINC000854230230 1300479021 /nfs/dbraw/zinc/47/90/21/1300479021.db2.gz KHZBNZVONDRHAM-RTWAWAEBSA-N 2 1 337.467 2.882 20 10 EFCDMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c2ccccc21 ZINC000854230231 1300479470 /nfs/dbraw/zinc/47/94/70/1300479470.db2.gz KHZBNZVONDRHAM-SFTDATJTSA-N 2 1 337.467 2.882 20 10 EFCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1c(F)cncc1F ZINC000796527670 1305982929 /nfs/dbraw/zinc/98/29/29/1305982929.db2.gz WTXMLPGEWKKKCX-AWEZNQCLSA-N 2 1 346.425 2.962 20 10 EFCDMP COc1cc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c(O)cc1O ZINC001231632654 1312536044 /nfs/dbraw/zinc/53/60/44/1312536044.db2.gz AESRHBCVHOECBR-UHFFFAOYSA-N 2 1 346.471 2.947 20 10 EFCDMP COc1cc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c(O)cc1O ZINC001231632654 1312536045 /nfs/dbraw/zinc/53/60/45/1312536045.db2.gz AESRHBCVHOECBR-UHFFFAOYSA-N 2 1 346.471 2.947 20 10 EFCDMP Cc1cc(C)c(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001231845050 1312573540 /nfs/dbraw/zinc/57/35/40/1312573540.db2.gz WPWWGAUUEFXGDY-KDURUIRLSA-N 2 1 337.467 2.968 20 10 EFCDMP C[NH+]1C(C)(C)CC(NCc2ccc(N3CC[NH2+]CC3)cc2)CC1(C)C ZINC001246172282 1314593461 /nfs/dbraw/zinc/59/34/61/1314593461.db2.gz HLQHFAUSWHLACR-UHFFFAOYSA-N 2 1 344.547 2.837 20 10 EFCDMP CCOc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](C(C)C)C3)CC2)cc1 ZINC001246948775 1314712963 /nfs/dbraw/zinc/71/29/63/1314712963.db2.gz LQYCXTOPWLQQJO-QUCCMNQESA-N 2 1 331.504 2.984 20 10 EFCDMP c1ccc(C[N@H+]2CC[C@H](Oc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001217946137 1315123531 /nfs/dbraw/zinc/12/35/31/1315123531.db2.gz NPVQVJZQGICJGN-NRFANRHFSA-N 2 1 337.467 2.750 20 10 EFCDMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(O)cc1Br ZINC001250124179 1315175326 /nfs/dbraw/zinc/17/53/26/1315175326.db2.gz ZHZVAVMZUPVBLU-OCCSQVGLSA-N 2 1 339.277 2.847 20 10 EFCDMP CCc1ccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c(O)c1 ZINC001276804573 1315307704 /nfs/dbraw/zinc/30/77/04/1315307704.db2.gz HEVZIVQBFVJJAF-UHFFFAOYSA-N 2 1 340.471 2.776 20 10 EFCDMP CC[N@H+](Cc1ccccc1O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252930862 1315534611 /nfs/dbraw/zinc/53/46/11/1315534611.db2.gz DYXFTXJANVRHKB-NRFANRHFSA-N 2 1 340.467 2.851 20 10 EFCDMP CC[N@@H+](Cc1ccccc1O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252930862 1315534613 /nfs/dbraw/zinc/53/46/13/1315534613.db2.gz DYXFTXJANVRHKB-NRFANRHFSA-N 2 1 340.467 2.851 20 10 EFCDMP CC[NH+](Cc1ccccc1O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252930862 1315534616 /nfs/dbraw/zinc/53/46/16/1315534616.db2.gz DYXFTXJANVRHKB-NRFANRHFSA-N 2 1 340.467 2.851 20 10 EFCDMP CC[NH+](Cc1ccccc1O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252930862 1315534617 /nfs/dbraw/zinc/53/46/17/1315534617.db2.gz DYXFTXJANVRHKB-NRFANRHFSA-N 2 1 340.467 2.851 20 10 EFCDMP C[N@H+](CCC1CCOCC1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001254019597 1315665785 /nfs/dbraw/zinc/66/57/85/1315665785.db2.gz VGUSVBFADIDMBM-UHFFFAOYSA-N 2 1 349.494 2.826 20 10 EFCDMP C[N@@H+](CCC1CCOCC1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001254019597 1315665787 /nfs/dbraw/zinc/66/57/87/1315665787.db2.gz VGUSVBFADIDMBM-UHFFFAOYSA-N 2 1 349.494 2.826 20 10 EFCDMP C[N@@H+](Cc1ccccc1O)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254039873 1315668379 /nfs/dbraw/zinc/66/83/79/1315668379.db2.gz MXQITYOJLGXSEK-UHFFFAOYSA-N 2 1 340.467 2.851 20 10 EFCDMP COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001254184254 1315678665 /nfs/dbraw/zinc/67/86/65/1315678665.db2.gz MKRAWDGBOHTTTM-HNNXBMFYSA-N 2 1 337.483 2.871 20 10 EFCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680112 1315856952 /nfs/dbraw/zinc/85/69/52/1315856952.db2.gz HFDWUYJVCSSGIX-WCRBZPEASA-N 2 1 343.515 2.970 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680112 1315856954 /nfs/dbraw/zinc/85/69/54/1315856954.db2.gz HFDWUYJVCSSGIX-WCRBZPEASA-N 2 1 343.515 2.970 20 10 EFCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680112 1315856957 /nfs/dbraw/zinc/85/69/57/1315856957.db2.gz HFDWUYJVCSSGIX-WCRBZPEASA-N 2 1 343.515 2.970 20 10 EFCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680112 1315856960 /nfs/dbraw/zinc/85/69/60/1315856960.db2.gz HFDWUYJVCSSGIX-WCRBZPEASA-N 2 1 343.515 2.970 20 10 EFCDMP COc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC001256631139 1315973576 /nfs/dbraw/zinc/97/35/76/1315973576.db2.gz PPRRQXPZWOUPGJ-JWTNVVGKSA-N 2 1 329.488 2.751 20 10 EFCDMP COc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1 ZINC001256631139 1315973579 /nfs/dbraw/zinc/97/35/79/1315973579.db2.gz PPRRQXPZWOUPGJ-JWTNVVGKSA-N 2 1 329.488 2.751 20 10 EFCDMP C[N@H+](Cc1cccc(O)c1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319512698 1328906763 /nfs/dbraw/zinc/90/67/63/1328906763.db2.gz FWAAIUKFPBMBSI-UHFFFAOYSA-N 2 1 343.446 2.915 20 10 EFCDMP C[N@@H+](Cc1cccc(O)c1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319512698 1328906771 /nfs/dbraw/zinc/90/67/71/1328906771.db2.gz FWAAIUKFPBMBSI-UHFFFAOYSA-N 2 1 343.446 2.915 20 10 EFCDMP CCOC[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320498156 1329145801 /nfs/dbraw/zinc/14/58/01/1329145801.db2.gz SRXGXPWQZQQCFP-SFHVURJKSA-N 2 1 349.494 2.826 20 10 EFCDMP CCOC[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320498156 1329145804 /nfs/dbraw/zinc/14/58/04/1329145804.db2.gz SRXGXPWQZQQCFP-SFHVURJKSA-N 2 1 349.494 2.826 20 10 EFCDMP CC[N@H+](Cc1ccncc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323780436 1329570173 /nfs/dbraw/zinc/57/01/73/1329570173.db2.gz JFFLLUIHHDSWLC-UHFFFAOYSA-N 2 1 342.462 2.995 20 10 EFCDMP CC[N@@H+](Cc1ccncc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323780436 1329570175 /nfs/dbraw/zinc/57/01/75/1329570175.db2.gz JFFLLUIHHDSWLC-UHFFFAOYSA-N 2 1 342.462 2.995 20 10 EFCDMP C[NH+]1CCN(c2ccc(CNc3[nH+]ccn3C3CC3)cc2F)CC1 ZINC001325290491 1329678584 /nfs/dbraw/zinc/67/85/84/1329678584.db2.gz VQXCNTQNOOILHE-UHFFFAOYSA-N 2 1 329.423 2.721 20 10 EFCDMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC001325745375 1329709930 /nfs/dbraw/zinc/70/99/30/1329709930.db2.gz XSIHXGLYAJGBRP-KBPBESRZSA-N 2 1 325.884 2.825 20 10 EFCDMP C[NH2+]Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001326076641 1329732480 /nfs/dbraw/zinc/73/24/80/1329732480.db2.gz QXYKCEYWACJYDV-UHFFFAOYSA-N 2 1 342.462 2.909 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@]3(O)CCCC3(C)C)cc2F)CC1 ZINC001326260469 1329742507 /nfs/dbraw/zinc/74/25/07/1329742507.db2.gz YCQXSUJUQZYFDO-HXUWFJFHSA-N 2 1 349.494 2.608 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)C3CCOCC3)cc2F)CC1 ZINC001326620842 1330329403 /nfs/dbraw/zinc/32/94/03/1330329403.db2.gz WMCKPCNCUCWNSV-UHFFFAOYSA-N 2 1 349.494 2.872 20 10 EFCDMP CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326789434 1330364307 /nfs/dbraw/zinc/36/43/07/1330364307.db2.gz XQECPMVYNYQGCE-IEBWSBKVSA-N 2 1 335.467 2.625 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CCO)CC3)cc2F)CC1 ZINC001327589853 1330498824 /nfs/dbraw/zinc/49/88/24/1330498824.db2.gz IJQDSGQYFSONHS-KRWDZBQOSA-N 2 1 349.494 2.562 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CCO)CC3)cc2F)CC1 ZINC001327589853 1330498826 /nfs/dbraw/zinc/49/88/26/1330498826.db2.gz IJQDSGQYFSONHS-KRWDZBQOSA-N 2 1 349.494 2.562 20 10 EFCDMP CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328219125 1330569413 /nfs/dbraw/zinc/56/94/13/1330569413.db2.gz FBRFEWZHBDYGBR-SFHVURJKSA-N 2 1 349.494 2.969 20 10 EFCDMP CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328219125 1330569416 /nfs/dbraw/zinc/56/94/16/1330569416.db2.gz FBRFEWZHBDYGBR-SFHVURJKSA-N 2 1 349.494 2.969 20 10 EFCDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Br)cc2O)C1 ZINC001328759244 1330627634 /nfs/dbraw/zinc/62/76/34/1330627634.db2.gz OEGDKDORRKFFTE-GFCCVEGCSA-N 2 1 327.266 2.976 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C(C)(C)O)C3)cc2F)CC1 ZINC001331084170 1330793299 /nfs/dbraw/zinc/79/32/99/1330793299.db2.gz VLOZLWMNSWLJKK-QGZVFWFLSA-N 2 1 349.494 2.560 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C(C)(C)O)C3)cc2F)CC1 ZINC001331084170 1330793303 /nfs/dbraw/zinc/79/33/03/1330793303.db2.gz VLOZLWMNSWLJKK-QGZVFWFLSA-N 2 1 349.494 2.560 20 10 EFCDMP CO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C12CCC2 ZINC001331469298 1330840971 /nfs/dbraw/zinc/84/09/71/1330840971.db2.gz GUDIAUQXUUACRU-RBUKOAKNSA-N 2 1 347.478 2.625 20 10 EFCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](C2CC2)O1 ZINC001339602690 1331910054 /nfs/dbraw/zinc/91/00/54/1331910054.db2.gz AFLCCZRAUMEWHS-QRWLVFNGSA-N 2 1 347.478 2.577 20 10 EFCDMP CSCCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001339826739 1332105157 /nfs/dbraw/zinc/10/51/57/1332105157.db2.gz QYSXPUOQXPRAFS-UHFFFAOYSA-N 2 1 325.497 2.762 20 10 EFCDMP CSCCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001339826739 1332105160 /nfs/dbraw/zinc/10/51/60/1332105160.db2.gz QYSXPUOQXPRAFS-UHFFFAOYSA-N 2 1 325.497 2.762 20 10 EFCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001341604223 1332270675 /nfs/dbraw/zinc/27/06/75/1332270675.db2.gz GMLCXCFLKJIDTI-HKBOAZHASA-N 2 1 343.515 2.970 20 10 EFCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC001346539709 1332654888 /nfs/dbraw/zinc/65/48/88/1332654888.db2.gz FZLQZORWJRVRJL-HXUWFJFHSA-N 2 1 343.515 2.974 20 10 EFCDMP CCn1cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cn1 ZINC001347792669 1332773889 /nfs/dbraw/zinc/77/38/89/1332773889.db2.gz BZCKRZCLMLREPX-HNNXBMFYSA-N 2 1 345.466 2.645 20 10 EFCDMP COC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCC1 ZINC001347814034 1332775573 /nfs/dbraw/zinc/77/55/73/1332775573.db2.gz VZQMNQDOKQPJIZ-UHFFFAOYSA-N 2 1 335.467 2.626 20 10 EFCDMP c1cc(N2CCCC2)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848517521 1334770190 /nfs/dbraw/zinc/77/01/90/1334770190.db2.gz FBIGFSFKTMMAEA-HXUWFJFHSA-N 2 1 329.488 2.630 20 10 EFCDMP CCc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1O ZINC000848902810 1334973113 /nfs/dbraw/zinc/97/31/13/1334973113.db2.gz TYTJJLDGTKYUPU-HXUWFJFHSA-N 2 1 340.467 2.811 20 10 EFCDMP COc1ccc2c(c1)C[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000848926094 1334991811 /nfs/dbraw/zinc/99/18/11/1334991811.db2.gz QPRVONLXEFNFCP-UHFFFAOYSA-N 2 1 337.467 2.963 20 10 EFCDMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(O)c1OC ZINC000892237470 715400708 /nfs/dbraw/zinc/40/07/08/715400708.db2.gz ZQLSSKNMMMUEEF-RHSMWYFYSA-N 2 1 346.471 2.858 20 10 EFCDMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(O)c1OC ZINC000892237470 715400712 /nfs/dbraw/zinc/40/07/12/715400712.db2.gz ZQLSSKNMMMUEEF-RHSMWYFYSA-N 2 1 346.471 2.858 20 10 EFCDMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(O)c1OC ZINC000892237470 715400715 /nfs/dbraw/zinc/40/07/15/715400715.db2.gz ZQLSSKNMMMUEEF-RHSMWYFYSA-N 2 1 346.471 2.858 20 10 EFCDMP CCC[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000066970485 717828789 /nfs/dbraw/zinc/82/87/89/717828789.db2.gz FECZEVGNISDTOG-UHFFFAOYSA-N 2 1 335.467 2.626 20 10 EFCDMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000841099543 727970163 /nfs/dbraw/zinc/97/01/63/727970163.db2.gz LLTQIJHQWHTFHN-PBHICJAKSA-N 2 1 342.842 2.903 20 10 EFCDMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000157379985 728137902 /nfs/dbraw/zinc/13/79/02/728137902.db2.gz QHIJVYLSJVDIJA-OXQOHEQNSA-N 2 1 331.504 2.984 20 10 EFCDMP COc1c(O)c(C[NH+]2CCC3(C[NH2+][C@H]3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001579136684 1090522264 /nfs/dbraw/zinc/52/22/64/1090522264.db2.gz PUXRSMOSPQRKDW-KRWDZBQOSA-N 2 1 349.431 2.519 20 10 EFCDMP COc1cc(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000160296828 239047053 /nfs/dbraw/zinc/04/70/53/239047053.db2.gz NYDSRESNCLVUHR-OAHLLOKOSA-N 2 1 334.460 2.717 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000160296828 239047059 /nfs/dbraw/zinc/04/70/59/239047059.db2.gz NYDSRESNCLVUHR-OAHLLOKOSA-N 2 1 334.460 2.717 20 10 EFCDMP Oc1cc2c(cc1C[NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000192929626 240073019 /nfs/dbraw/zinc/07/30/19/240073019.db2.gz SVDFKWPGMJGPEI-MRXNPFEDSA-N 2 1 340.423 2.733 20 10 EFCDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000364452025 242299348 /nfs/dbraw/zinc/29/93/48/242299348.db2.gz WBCRJDMCGQRUEN-CGTJXYLNSA-N 2 1 347.478 2.940 20 10 EFCDMP COc1ccc(O)c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000185206596 473363169 /nfs/dbraw/zinc/36/31/69/473363169.db2.gz VVBVJGSWWMHANQ-XHSDSOJGSA-N 2 1 336.476 2.941 20 10 EFCDMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119663490 472573905 /nfs/dbraw/zinc/57/39/05/472573905.db2.gz CRDNTJMRBNVPAP-HNNXBMFYSA-N 2 1 347.478 2.940 20 10 EFCDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)ccc1O ZINC000185366701 473406483 /nfs/dbraw/zinc/40/64/83/473406483.db2.gz DLYSTKPBXWYHAG-AWEZNQCLSA-N 2 1 325.884 2.724 20 10 EFCDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180011645 473776566 /nfs/dbraw/zinc/77/65/66/473776566.db2.gz YCAHURPXAXCTBL-HZPDHXFCSA-N 2 1 335.467 2.522 20 10 EFCDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887323 475052656 /nfs/dbraw/zinc/05/26/56/475052656.db2.gz ZCMWSWIDAOITMO-LZJOCLMNSA-N 2 1 345.531 2.714 20 10 EFCDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000369551245 476426561 /nfs/dbraw/zinc/42/65/61/476426561.db2.gz SAAXEMPYANMOFQ-SFHVURJKSA-N 2 1 339.483 2.757 20 10 EFCDMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000375471015 476856040 /nfs/dbraw/zinc/85/60/40/476856040.db2.gz GEHDDEUYLCESIU-UHFFFAOYSA-N 2 1 329.488 2.583 20 10 EFCDMP CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000371469980 477338348 /nfs/dbraw/zinc/33/83/48/477338348.db2.gz HSVQXDUXNMXPKW-KFKAGJAMSA-N 2 1 335.467 2.575 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000371469980 477338354 /nfs/dbraw/zinc/33/83/54/477338354.db2.gz HSVQXDUXNMXPKW-KFKAGJAMSA-N 2 1 335.467 2.575 20 10 EFCDMP CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000295673408 535974123 /nfs/dbraw/zinc/97/41/23/535974123.db2.gz KJGIDDMZGNCBSU-LJQANCHMSA-N 2 1 347.528 2.787 20 10 EFCDMP CC[NH+](CC)CCOCC[NH2+]Cc1cccc(Br)c1O ZINC000757944290 575856437 /nfs/dbraw/zinc/85/64/37/575856437.db2.gz AUYLMHVYBBXYCF-UHFFFAOYSA-N 2 1 345.281 2.603 20 10 EFCDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769470633 577365049 /nfs/dbraw/zinc/36/50/49/577365049.db2.gz MLYQOMSBTQJHAE-AEFFLSMTSA-N 2 1 349.494 2.967 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769470633 577365050 /nfs/dbraw/zinc/36/50/50/577365050.db2.gz MLYQOMSBTQJHAE-AEFFLSMTSA-N 2 1 349.494 2.967 20 10 EFCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769470633 577365051 /nfs/dbraw/zinc/36/50/51/577365051.db2.gz MLYQOMSBTQJHAE-AEFFLSMTSA-N 2 1 349.494 2.967 20 10 EFCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000769470633 577365052 /nfs/dbraw/zinc/36/50/52/577365052.db2.gz MLYQOMSBTQJHAE-AEFFLSMTSA-N 2 1 349.494 2.967 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000769471340 577365127 /nfs/dbraw/zinc/36/51/27/577365127.db2.gz SSAQJWCBMNXSNK-XLIONFOSSA-N 2 1 331.504 2.828 20 10 EFCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000769471340 577365128 /nfs/dbraw/zinc/36/51/28/577365128.db2.gz SSAQJWCBMNXSNK-XLIONFOSSA-N 2 1 331.504 2.828 20 10 EFCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000769471340 577365130 /nfs/dbraw/zinc/36/51/30/577365130.db2.gz SSAQJWCBMNXSNK-XLIONFOSSA-N 2 1 331.504 2.828 20 10 EFCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769515363 577369118 /nfs/dbraw/zinc/36/91/18/577369118.db2.gz OZHLGEZFXROIMD-INIZCTEOSA-N 2 1 326.868 2.978 20 10 EFCDMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1N(C)C ZINC000923393767 1261599453 /nfs/dbraw/zinc/59/94/53/1261599453.db2.gz XNAJVZWSNOJISK-SXLOBPIMSA-N 2 1 331.504 2.922 20 10 EFCDMP CO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1(C)C ZINC000824821148 1278304383 /nfs/dbraw/zinc/30/43/83/1278304383.db2.gz VJCUUFGKRZJLJC-IBGZPJMESA-N 2 1 331.504 2.685 20 10 EFCDMP CN1CCN(c2ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc2)CC1 ZINC000824913557 1278338732 /nfs/dbraw/zinc/33/87/32/1278338732.db2.gz BCCRLTQBRARZPC-UHFFFAOYSA-N 2 1 332.536 2.648 20 10 EFCDMP COc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000742374649 1270029047 /nfs/dbraw/zinc/02/90/47/1270029047.db2.gz BGFDXHIVGDKBCV-GXFFZTMASA-N 2 1 343.265 2.736 20 10 EFCDMP COc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000742374649 1270029054 /nfs/dbraw/zinc/02/90/54/1270029054.db2.gz BGFDXHIVGDKBCV-GXFFZTMASA-N 2 1 343.265 2.736 20 10 EFCDMP CCn1ccc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000792182354 1278621563 /nfs/dbraw/zinc/62/15/63/1278621563.db2.gz CQQSEBMQBATPNJ-UHFFFAOYSA-N 2 1 326.488 2.892 20 10 EFCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000702566658 1271494091 /nfs/dbraw/zinc/49/40/91/1271494091.db2.gz MTAIQLHCVXGHQO-MGPUTAFESA-N 2 1 344.430 2.819 20 10 EFCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1O ZINC000702566658 1271494097 /nfs/dbraw/zinc/49/40/97/1271494097.db2.gz MTAIQLHCVXGHQO-MGPUTAFESA-N 2 1 344.430 2.819 20 10 EFCDMP CCc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000702652456 1271599678 /nfs/dbraw/zinc/59/96/78/1271599678.db2.gz KZQWTDOWYUROJV-NRFANRHFSA-N 2 1 340.467 2.681 20 10 EFCDMP CCc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000702652456 1271599682 /nfs/dbraw/zinc/59/96/82/1271599682.db2.gz KZQWTDOWYUROJV-NRFANRHFSA-N 2 1 340.467 2.681 20 10 EFCDMP Oc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000691447769 1274088175 /nfs/dbraw/zinc/08/81/75/1274088175.db2.gz VSRLAACTPQQDBX-ZIAGYGMSSA-N 2 1 325.250 2.871 20 10 EFCDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000706059865 1274356480 /nfs/dbraw/zinc/35/64/80/1274356480.db2.gz PISHTJPETATOMV-LBPRGKRZSA-N 2 1 327.266 2.976 20 10 EFCDMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817936301 1276381837 /nfs/dbraw/zinc/38/18/37/1276381837.db2.gz NJUZTHHANNIZSM-HNNXBMFYSA-N 2 1 335.467 2.975 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC000817968840 1276411631 /nfs/dbraw/zinc/41/16/31/1276411631.db2.gz NJKBJVWWYWFBNM-GFCCVEGCSA-N 2 1 326.396 2.633 20 10 EFCDMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817968508 1276411965 /nfs/dbraw/zinc/41/19/65/1276411965.db2.gz KREULMFJAHLOJC-GJZGRUSLSA-N 2 1 337.895 2.969 20 10 EFCDMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817981372 1276420865 /nfs/dbraw/zinc/42/08/65/1276420865.db2.gz RSWYAOYUTKABON-DOTOQJQBSA-N 2 1 335.467 2.845 20 10 EFCDMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817983435 1276421224 /nfs/dbraw/zinc/42/12/24/1276421224.db2.gz CZSFDYPZXWZHAF-AWEZNQCLSA-N 2 1 337.895 2.969 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)[C@@H](C)C1 ZINC000818344140 1276511664 /nfs/dbraw/zinc/51/16/64/1276511664.db2.gz JUARENPNVBUMOD-QKLQHJQFSA-N 2 1 331.504 2.841 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000790748791 1277757930 /nfs/dbraw/zinc/75/79/30/1277757930.db2.gz QGEIMWLVXTXATC-AWEZNQCLSA-N 2 1 334.460 2.951 20 10 EFCDMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1N(C)C ZINC000815074258 1287300535 /nfs/dbraw/zinc/30/05/35/1287300535.db2.gz NMHVIFJRPRLKMO-MISYRCLQSA-N 2 1 331.504 2.745 20 10 EFCDMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(O)c1 ZINC000844902543 1279323767 /nfs/dbraw/zinc/32/37/67/1279323767.db2.gz OWKBGZLTGCPXIB-TXPKVOOTSA-N 2 1 334.460 2.509 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000844902232 1279324917 /nfs/dbraw/zinc/32/49/17/1279324917.db2.gz MDVVQSBKIUVQOV-TXPKVOOTSA-N 2 1 335.467 2.610 20 10 EFCDMP COc1cccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000846156064 1280039775 /nfs/dbraw/zinc/03/97/75/1280039775.db2.gz RWOZXJLXCXSSQD-OWCLPIDISA-N 2 1 336.476 2.941 20 10 EFCDMP COc1ccc(N2CCC[N@H+](CCCc3c[nH+]cn3C)CC2)cc1 ZINC000846778435 1280481232 /nfs/dbraw/zinc/48/12/32/1280481232.db2.gz WAWJDVSCJJTJPZ-UHFFFAOYSA-N 2 1 328.460 2.574 20 10 EFCDMP COc1ccc(N2CCC[N@@H+](CCCc3c[nH+]cn3C)CC2)cc1 ZINC000846778435 1280481235 /nfs/dbraw/zinc/48/12/35/1280481235.db2.gz WAWJDVSCJJTJPZ-UHFFFAOYSA-N 2 1 328.460 2.574 20 10 EFCDMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000846823872 1280519320 /nfs/dbraw/zinc/51/93/20/1280519320.db2.gz BDAINUYGODCPBC-SFHVURJKSA-N 2 1 329.444 2.740 20 10 EFCDMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000846823872 1280519327 /nfs/dbraw/zinc/51/93/27/1280519327.db2.gz BDAINUYGODCPBC-SFHVURJKSA-N 2 1 329.444 2.740 20 10 EFCDMP COc1ccc(N2CCC([NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)CC2)cc1 ZINC000809735742 1282435617 /nfs/dbraw/zinc/43/56/17/1282435617.db2.gz QTUAPKWDVBMTTA-KRWDZBQOSA-N 2 1 331.504 2.984 20 10 EFCDMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809749891 1282451514 /nfs/dbraw/zinc/45/15/14/1282451514.db2.gz MBTNYJHTKXTPAG-UHFFFAOYSA-N 2 1 349.494 2.970 20 10 EFCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809749891 1282451519 /nfs/dbraw/zinc/45/15/19/1282451519.db2.gz MBTNYJHTKXTPAG-UHFFFAOYSA-N 2 1 349.494 2.970 20 10 EFCDMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810238082 1283088568 /nfs/dbraw/zinc/08/85/68/1283088568.db2.gz XXWIKPGSKCWGED-ZFWWWQNUSA-N 2 1 332.366 2.518 20 10 EFCDMP Oc1cc2ccccc2cc1CNc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001171401962 1283451712 /nfs/dbraw/zinc/45/17/12/1283451712.db2.gz DIIFQVZWLZYUAL-UHFFFAOYSA-N 2 1 334.423 2.962 20 10 EFCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Br ZINC001206196400 1286485096 /nfs/dbraw/zinc/48/50/96/1286485096.db2.gz BZMCLYDWXCAMBS-OLZOCXBDSA-N 2 1 331.229 2.724 20 10 EFCDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Br ZINC001206196400 1286485100 /nfs/dbraw/zinc/48/51/00/1286485100.db2.gz BZMCLYDWXCAMBS-OLZOCXBDSA-N 2 1 331.229 2.724 20 10 EFCDMP CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000816662283 1288234905 /nfs/dbraw/zinc/23/49/05/1288234905.db2.gz LQDZOWGIZPCPSQ-OAQYLSRUSA-N 2 1 345.531 2.669 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@]4(CCCO4)[C@@H]3C3CC3)cc2)CC1 ZINC000816666294 1288236481 /nfs/dbraw/zinc/23/64/81/1288236481.db2.gz JLXQTSPBEXLLCR-SFTDATJTSA-N 2 1 341.499 2.582 20 10 EFCDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135861643 1288519426 /nfs/dbraw/zinc/51/94/26/1288519426.db2.gz UZLZGRIAUHHHKW-IAGOWNOFSA-N 2 1 349.519 2.718 20 10 EFCDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(C)c3O)CC2)CC1 ZINC000817413788 1288591635 /nfs/dbraw/zinc/59/16/35/1288591635.db2.gz JLRPCJAICLDZAX-UHFFFAOYSA-N 2 1 331.504 2.693 20 10 EFCDMP COc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cn1cccn1 ZINC000873014275 1289518809 /nfs/dbraw/zinc/51/88/09/1289518809.db2.gz NKPQWBLZZADTFN-OALUTQOASA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cn1cccn1 ZINC000873014275 1289518823 /nfs/dbraw/zinc/51/88/23/1289518823.db2.gz NKPQWBLZZADTFN-OALUTQOASA-N 2 1 340.471 2.656 20 10 EFCDMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cn1cccn1 ZINC000873014275 1289518833 /nfs/dbraw/zinc/51/88/33/1289518833.db2.gz NKPQWBLZZADTFN-OALUTQOASA-N 2 1 340.471 2.656 20 10 EFCDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873020648 1289524345 /nfs/dbraw/zinc/52/43/45/1289524345.db2.gz YZPOEKXLIARZDK-SFHVURJKSA-N 2 1 342.487 2.762 20 10 EFCDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093693206 1291195828 /nfs/dbraw/zinc/19/58/28/1291195828.db2.gz YEWWNZZXHHARFK-IBGZPJMESA-N 2 1 331.504 2.687 20 10 EFCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093693206 1291195832 /nfs/dbraw/zinc/19/58/32/1291195832.db2.gz YEWWNZZXHHARFK-IBGZPJMESA-N 2 1 331.504 2.687 20 10 EFCDMP Cc1cccc(O)c1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000877441835 1291235409 /nfs/dbraw/zinc/23/54/09/1291235409.db2.gz ONMGMXQPHWELEC-NRFANRHFSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1cccc(O)c1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000877441835 1291235416 /nfs/dbraw/zinc/23/54/16/1291235416.db2.gz ONMGMXQPHWELEC-NRFANRHFSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1cccc(O)c1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000877441835 1291235421 /nfs/dbraw/zinc/23/54/21/1291235421.db2.gz ONMGMXQPHWELEC-NRFANRHFSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1cccc(O)c1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000877441835 1291235426 /nfs/dbraw/zinc/23/54/26/1291235426.db2.gz ONMGMXQPHWELEC-NRFANRHFSA-N 2 1 340.467 2.769 20 10 EFCDMP COCCc1cc[nH+]c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000795807616 1291493472 /nfs/dbraw/zinc/49/34/72/1291493472.db2.gz GKOKYCHHACDOJQ-UHFFFAOYSA-N 2 1 340.471 2.634 20 10 EFCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c([O-])cc(Br)cc2F)CC1 ZINC001205580183 1292806681 /nfs/dbraw/zinc/80/66/81/1292806681.db2.gz RBMBYGRRMDKTMK-CQSZACIVSA-N 2 1 349.219 2.947 20 10 EFCDMP COc1ccc(O)c(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1 ZINC001203673424 1312986759 /nfs/dbraw/zinc/98/67/59/1312986759.db2.gz YMPBAOOHJVCGMP-UHFFFAOYSA-N 2 1 327.428 2.843 20 10 EFCDMP [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000883085696 1293455687 /nfs/dbraw/zinc/45/56/87/1293455687.db2.gz XEEDTSZXSMQFKA-KRWDZBQOSA-N 2 1 348.393 2.527 20 10 EFCDMP Oc1c(F)cc(F)cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000883085696 1293455692 /nfs/dbraw/zinc/45/56/92/1293455692.db2.gz XEEDTSZXSMQFKA-KRWDZBQOSA-N 2 1 348.393 2.527 20 10 EFCDMP Oc1c(F)cc(F)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000883085696 1293455698 /nfs/dbraw/zinc/45/56/98/1293455698.db2.gz XEEDTSZXSMQFKA-KRWDZBQOSA-N 2 1 348.393 2.527 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOc4ccccc4C3)cc2)CC1 ZINC000775658803 1293939920 /nfs/dbraw/zinc/93/99/20/1293939920.db2.gz CGZLOMNWLNEVOC-UHFFFAOYSA-N 2 1 337.467 2.833 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3c3ncc[nH]3)cc2)CC1 ZINC000775667291 1293990646 /nfs/dbraw/zinc/99/06/46/1293990646.db2.gz HUBHGGKBBUDXTR-IBGZPJMESA-N 2 1 339.487 2.889 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3c3ncc[nH]3)cc2)CC1 ZINC000775667291 1293990651 /nfs/dbraw/zinc/99/06/51/1293990651.db2.gz HUBHGGKBBUDXTR-IBGZPJMESA-N 2 1 339.487 2.889 20 10 EFCDMP CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775689286 1294149148 /nfs/dbraw/zinc/14/91/48/1294149148.db2.gz BOSHCNFKWVZSBT-HXUWFJFHSA-N 2 1 331.504 2.685 20 10 EFCDMP CC(C)C[C@H]1COCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775689284 1294149186 /nfs/dbraw/zinc/14/91/86/1294149186.db2.gz BOSHCNFKWVZSBT-FQEVSTJZSA-N 2 1 331.504 2.685 20 10 EFCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775715995 1294241646 /nfs/dbraw/zinc/24/16/46/1294241646.db2.gz OGLIXAWOQYKTLR-RXVVDRJESA-N 3 1 344.547 2.743 20 10 EFCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775715995 1294241648 /nfs/dbraw/zinc/24/16/48/1294241648.db2.gz OGLIXAWOQYKTLR-RXVVDRJESA-N 3 1 344.547 2.743 20 10 EFCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775715995 1294241651 /nfs/dbraw/zinc/24/16/51/1294241651.db2.gz OGLIXAWOQYKTLR-RXVVDRJESA-N 3 1 344.547 2.743 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC4(CCCCC4)C3)cc2)CC1 ZINC000775717666 1294245317 /nfs/dbraw/zinc/24/53/17/1294245317.db2.gz FOOGBPDASAQPAF-UHFFFAOYSA-N 2 1 343.515 2.974 20 10 EFCDMP CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775737865 1294344662 /nfs/dbraw/zinc/34/46/62/1294344662.db2.gz NVADHOALQAWBBK-FQEVSTJZSA-N 2 1 331.504 2.685 20 10 EFCDMP CN(C)c1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c2ccccc21 ZINC001204240540 1313106855 /nfs/dbraw/zinc/10/68/55/1313106855.db2.gz XKBCNGMLGXCLGT-UHFFFAOYSA-N 2 1 340.515 2.585 20 10 EFCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235023723 1313226388 /nfs/dbraw/zinc/22/63/88/1313226388.db2.gz WGSMFUYCVAUMMX-MRXNPFEDSA-N 2 1 344.377 2.613 20 10 EFCDMP OC1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC000305358482 1296163238 /nfs/dbraw/zinc/16/32/38/1296163238.db2.gz SMIFMJDVPFFWEK-DLBZAZTESA-N 2 1 347.478 2.503 20 10 EFCDMP OC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC000305358482 1296163248 /nfs/dbraw/zinc/16/32/48/1296163248.db2.gz SMIFMJDVPFFWEK-DLBZAZTESA-N 2 1 347.478 2.503 20 10 EFCDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc(N)cc1)CC2 ZINC001235020311 1313225707 /nfs/dbraw/zinc/22/57/07/1313225707.db2.gz SEZJZJKXSMHOMU-UHFFFAOYSA-N 2 1 337.467 2.914 20 10 EFCDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc(N)cc1)CC2 ZINC001235020311 1313225710 /nfs/dbraw/zinc/22/57/10/1313225710.db2.gz SEZJZJKXSMHOMU-UHFFFAOYSA-N 2 1 337.467 2.914 20 10 EFCDMP Cc1cccc2c1CC[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001205164888 1313243623 /nfs/dbraw/zinc/24/36/23/1313243623.db2.gz UWARTPAQQRFXHO-UHFFFAOYSA-N 2 1 337.467 2.669 20 10 EFCDMP COc1ccc2c(c1)CC[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001205164690 1313243811 /nfs/dbraw/zinc/24/38/11/1313243811.db2.gz NROBYIZUCQMJHE-UHFFFAOYSA-N 2 1 337.467 2.663 20 10 EFCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)Cc2ccccc21 ZINC001205164832 1313244241 /nfs/dbraw/zinc/24/42/41/1313244241.db2.gz SGHUEYUTYHMVOK-INIZCTEOSA-N 2 1 337.467 2.921 20 10 EFCDMP Cc1ccc(C)c(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1O ZINC001275965400 1296461558 /nfs/dbraw/zinc/46/15/58/1296461558.db2.gz FECLHUBTTPLYHP-UHFFFAOYSA-N 2 1 340.471 2.830 20 10 EFCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001205266418 1313262390 /nfs/dbraw/zinc/26/23/90/1313262390.db2.gz UIGPMOSAIXYKEC-FQEVSTJZSA-N 2 1 329.488 2.794 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)([NH3+])CC3)cc2)CC1 ZINC001205273180 1313262890 /nfs/dbraw/zinc/26/28/90/1313262890.db2.gz HBLDHXMFNXXZLF-FQEVSTJZSA-N 3 1 330.520 2.532 20 10 EFCDMP C[C@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1C[NH3+] ZINC001205303366 1313267190 /nfs/dbraw/zinc/26/71/90/1313267190.db2.gz DAZNDWSHLIDHFH-WMLDXEAASA-N 2 1 329.488 2.508 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c2ccccc2n1C ZINC001205317370 1313269061 /nfs/dbraw/zinc/26/90/61/1313269061.db2.gz OFYKXFYHCOXDGA-HUUCEWRRSA-N 2 1 343.471 2.772 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c2ccccc2n1C ZINC001205317370 1313269066 /nfs/dbraw/zinc/26/90/66/1313269066.db2.gz OFYKXFYHCOXDGA-HUUCEWRRSA-N 2 1 343.471 2.772 20 10 EFCDMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001235401879 1313312658 /nfs/dbraw/zinc/31/26/58/1313312658.db2.gz HKZBCNKDGRONIQ-TZIWHRDSSA-N 2 1 343.490 2.909 20 10 EFCDMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001235401874 1313312816 /nfs/dbraw/zinc/31/28/16/1313312816.db2.gz HKZBCNKDGRONIQ-FPOVZHCZSA-N 2 1 343.490 2.909 20 10 EFCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001205726632 1313345558 /nfs/dbraw/zinc/34/55/58/1313345558.db2.gz VZEWCGXMPJGYQM-FQEVSTJZSA-N 2 1 326.440 2.735 20 10 EFCDMP COc1cccc(C[N@@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001235662944 1313368516 /nfs/dbraw/zinc/36/85/16/1313368516.db2.gz FUMZYOFLOKUDCB-UHFFFAOYSA-N 2 1 325.456 2.737 20 10 EFCDMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001205904889 1313373758 /nfs/dbraw/zinc/37/37/58/1313373758.db2.gz XXZVFCOVAAKJHZ-HOCLYGCPSA-N 2 1 329.488 2.650 20 10 EFCDMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001205904890 1313373812 /nfs/dbraw/zinc/37/38/12/1313373812.db2.gz XXZVFCOVAAKJHZ-ZBFHGGJFSA-N 2 1 329.488 2.650 20 10 EFCDMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001205904887 1313373880 /nfs/dbraw/zinc/37/38/80/1313373880.db2.gz XXZVFCOVAAKJHZ-GDBMZVCRSA-N 2 1 329.488 2.650 20 10 EFCDMP C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCC[C@H]1C[NH3+] ZINC001205984258 1313386369 /nfs/dbraw/zinc/38/63/69/1313386369.db2.gz RRKWVXWXAVAGJN-NEPJUHHUSA-N 2 1 327.266 2.962 20 10 EFCDMP C[C@H]1C[N@@H+](Cc2cc(O)c(Br)cc2O)CCC[C@@H]1C[NH3+] ZINC001206024572 1313393379 /nfs/dbraw/zinc/39/33/79/1313393379.db2.gz KIEMZKPDMNCMIX-WDEREUQCSA-N 2 1 343.265 2.667 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2ccccc2n1C ZINC001206197892 1313419851 /nfs/dbraw/zinc/41/98/51/1313419851.db2.gz KCCVLSYCBUAMTF-CVEARBPZSA-N 2 1 347.434 2.616 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2ccccc2n1C ZINC001206197892 1313419854 /nfs/dbraw/zinc/41/98/54/1313419854.db2.gz KCCVLSYCBUAMTF-CVEARBPZSA-N 2 1 347.434 2.616 20 10 EFCDMP CC[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@H]1CCC[NH2+]C1 ZINC001236005791 1313430287 /nfs/dbraw/zinc/43/02/87/1313430287.db2.gz PIEDESJJDSFIQL-KRWDZBQOSA-N 2 1 329.488 2.665 20 10 EFCDMP CC[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@H]1CCC[NH2+]C1 ZINC001236005791 1313430289 /nfs/dbraw/zinc/43/02/89/1313430289.db2.gz PIEDESJJDSFIQL-KRWDZBQOSA-N 2 1 329.488 2.665 20 10 EFCDMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c(O)cc1Br ZINC001235959342 1313423062 /nfs/dbraw/zinc/42/30/62/1313423062.db2.gz OFFGGAVQAOTOKC-GFCCVEGCSA-N 2 1 327.266 2.895 20 10 EFCDMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3O)C2)C1 ZINC001236076540 1313438601 /nfs/dbraw/zinc/43/86/01/1313438601.db2.gz BGYDDAHORBLEGU-IBGZPJMESA-N 2 1 337.467 2.667 20 10 EFCDMP C[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@]1(C)CCC[NH2+]C1 ZINC001236207595 1313455827 /nfs/dbraw/zinc/45/58/27/1313455827.db2.gz OSUAICGLDQQTFY-HXUWFJFHSA-N 2 1 329.488 2.665 20 10 EFCDMP C[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@]1(C)CCC[NH2+]C1 ZINC001236207595 1313455830 /nfs/dbraw/zinc/45/58/30/1313455830.db2.gz OSUAICGLDQQTFY-HXUWFJFHSA-N 2 1 329.488 2.665 20 10 EFCDMP C[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216885 1313457575 /nfs/dbraw/zinc/45/75/75/1313457575.db2.gz LVWDKMYYUFAVEI-ROUUACIJSA-N 2 1 329.488 2.793 20 10 EFCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001206556886 1313475703 /nfs/dbraw/zinc/47/57/03/1313475703.db2.gz ZGZHRXLRJWJAEB-LJQANCHMSA-N 2 1 335.467 2.613 20 10 EFCDMP COC(=O)c1c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c2ccccc2n1C ZINC001206770128 1313503903 /nfs/dbraw/zinc/50/39/03/1313503903.db2.gz RGNMWKIHZAOTPL-ZIAGYGMSSA-N 2 1 329.444 2.524 20 10 EFCDMP COC(=O)c1c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c2ccccc2n1C ZINC001206770128 1313503904 /nfs/dbraw/zinc/50/39/04/1313503904.db2.gz RGNMWKIHZAOTPL-ZIAGYGMSSA-N 2 1 329.444 2.524 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c2ccccc2n1C ZINC001206811152 1313514804 /nfs/dbraw/zinc/51/48/04/1313514804.db2.gz QYXDJNTVEZVKLV-GJZGRUSLSA-N 2 1 343.471 2.914 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c2ccccc2n1C ZINC001206811152 1313514807 /nfs/dbraw/zinc/51/48/07/1313514807.db2.gz QYXDJNTVEZVKLV-GJZGRUSLSA-N 2 1 343.471 2.914 20 10 EFCDMP CC[N@@H+](Cc1ccncc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236929207 1313555710 /nfs/dbraw/zinc/55/57/10/1313555710.db2.gz BEXXMRCWYNEJMZ-UHFFFAOYSA-N 2 1 342.462 2.995 20 10 EFCDMP CN1CCN(c2ccc(CN3CC[C@@](C)(F)[C@@H](F)C3)c(F)c2)CC1 ZINC001236932103 1313556216 /nfs/dbraw/zinc/55/62/16/1313556216.db2.gz NSJDYSMVUWTNLX-ZWKOTPCHSA-N 2 1 341.421 2.850 20 10 EFCDMP C[C@H]1C[C@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)CC[C@H]2O1 ZINC001236933981 1313556630 /nfs/dbraw/zinc/55/66/30/1313556630.db2.gz BDVFMQMDVHPBNE-RIFZZMRRSA-N 2 1 347.478 2.577 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]4(CCOC4)C3)c(F)c2)CC1 ZINC001236935620 1313557033 /nfs/dbraw/zinc/55/70/33/1313557033.db2.gz IRTNFCOWIQOPPU-HXUWFJFHSA-N 2 1 347.478 2.580 20 10 EFCDMP C[N@@H+](CCc1cccnc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236935208 1313557242 /nfs/dbraw/zinc/55/72/42/1313557242.db2.gz DXRZFZXLSIZURC-UHFFFAOYSA-N 2 1 342.462 2.647 20 10 EFCDMP CO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)[C@@H](C)C1 ZINC001236944811 1313558779 /nfs/dbraw/zinc/55/87/79/1313558779.db2.gz GEOIFUZTXBYONK-YJBOKZPZSA-N 2 1 335.467 2.577 20 10 EFCDMP CO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)[C@H](C)C1 ZINC001236944808 1313558807 /nfs/dbraw/zinc/55/88/07/1313558807.db2.gz GEOIFUZTXBYONK-QAPCUYQASA-N 2 1 335.467 2.577 20 10 EFCDMP Cc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276365578 1299017194 /nfs/dbraw/zinc/01/71/94/1299017194.db2.gz RGWNNFYGPQRNHN-NRFANRHFSA-N 2 1 345.531 2.859 20 10 EFCDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3cccc(F)c3O)C2)C1 ZINC001276537694 1313704401 /nfs/dbraw/zinc/70/44/01/1313704401.db2.gz KXZULHPELAAJKJ-FQEVSTJZSA-N 2 1 349.494 2.771 20 10 EFCDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3cccc(F)c3O)C2)C1 ZINC001276537694 1313704406 /nfs/dbraw/zinc/70/44/06/1313704406.db2.gz KXZULHPELAAJKJ-FQEVSTJZSA-N 2 1 349.494 2.771 20 10 EFCDMP Cc1c(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c2ccccc2n1C ZINC001276557117 1313852023 /nfs/dbraw/zinc/85/20/23/1313852023.db2.gz VPFHYPNBXVRUPX-LAUBAEHRSA-N 2 1 340.515 2.554 20 10 EFCDMP Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276826253 1311057578 /nfs/dbraw/zinc/05/75/78/1311057578.db2.gz MJWWPZHUSCFPQM-GASCZTMLSA-N 2 1 342.439 2.581 20 10 EFCDMP CN1CCOc2cc(C[N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)ccc21 ZINC001222602454 1311158081 /nfs/dbraw/zinc/15/80/81/1311158081.db2.gz QGCWHJQJAYFWAT-LJQANCHMSA-N 2 1 349.478 2.704 20 10 EFCDMP CN1CCOc2cc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)ccc21 ZINC001222602454 1311158083 /nfs/dbraw/zinc/15/80/83/1311158083.db2.gz QGCWHJQJAYFWAT-LJQANCHMSA-N 2 1 349.478 2.704 20 10 EFCDMP c1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2c3c1CCCN3CCC2 ZINC001222629431 1311163417 /nfs/dbraw/zinc/16/34/17/1311163417.db2.gz GOQIBKYVXFDLEF-BGYRXZFFSA-N 2 1 325.500 2.817 20 10 EFCDMP c1ccc2c(c1)NC[C@H]1C[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C[C@H]21 ZINC001224117770 1311344816 /nfs/dbraw/zinc/34/48/16/1311344816.db2.gz CVUNNBXLOOGSRS-RXVVDRJESA-N 2 1 348.494 2.737 20 10 EFCDMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001277519949 1312500009 /nfs/dbraw/zinc/50/00/09/1312500009.db2.gz RRHHHJGJBXCRPO-CALCHBBNSA-N 2 1 349.494 2.545 20 10 EFCDMP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001277519949 1312500012 /nfs/dbraw/zinc/50/00/12/1312500012.db2.gz RRHHHJGJBXCRPO-CALCHBBNSA-N 2 1 349.494 2.545 20 10 EFCDMP Cc1cc(F)cc(C[N@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001277519949 1312500016 /nfs/dbraw/zinc/50/00/16/1312500016.db2.gz RRHHHJGJBXCRPO-CALCHBBNSA-N 2 1 349.494 2.545 20 10 EFCDMP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1O ZINC001277519949 1312500020 /nfs/dbraw/zinc/50/00/20/1312500020.db2.gz RRHHHJGJBXCRPO-CALCHBBNSA-N 2 1 349.494 2.545 20 10 EFCDMP Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1O ZINC001277519949 1312500024 /nfs/dbraw/zinc/50/00/24/1312500024.db2.gz RRHHHJGJBXCRPO-CALCHBBNSA-N 2 1 349.494 2.545 20 10 EFCDMP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(O)cc1O ZINC001231636385 1312537121 /nfs/dbraw/zinc/53/71/21/1312537121.db2.gz UHJPZGDNYPEIOC-INIZCTEOSA-N 2 1 334.460 2.947 20 10 EFCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]2C1 ZINC001232196767 1312647385 /nfs/dbraw/zinc/64/73/85/1312647385.db2.gz LSUUERXMILPABQ-SJORKVTESA-N 2 1 349.906 2.560 20 10 EFCDMP CC[N@@H+](CCn1ccnc1)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232202387 1312648103 /nfs/dbraw/zinc/64/81/03/1312648103.db2.gz YNTCVRXIPYNISL-UHFFFAOYSA-N 2 1 348.878 2.895 20 10 EFCDMP COc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](C(C)C)C3)CC2)c(C)c1 ZINC001246935065 1314710724 /nfs/dbraw/zinc/71/07/24/1314710724.db2.gz QGAFGACWKQJRGJ-HKUYNNGSSA-N 2 1 331.504 2.902 20 10 EFCDMP C[NH+](C)Cc1ccc2nc(-c3ccc(N4CC[NH2+]CC4)cc3)[nH]c2c1 ZINC001247021544 1314732536 /nfs/dbraw/zinc/73/25/36/1314732536.db2.gz RAVINODPSQDYCJ-UHFFFAOYSA-N 2 1 335.455 2.701 20 10 EFCDMP CCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c(O)c1 ZINC001276804666 1315311472 /nfs/dbraw/zinc/31/14/72/1315311472.db2.gz JTLPUIJFRPHTDD-KDURUIRLSA-N 2 1 345.531 2.660 20 10 EFCDMP CCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)c(O)c1 ZINC001276804666 1315311474 /nfs/dbraw/zinc/31/14/74/1315311474.db2.gz JTLPUIJFRPHTDD-KDURUIRLSA-N 2 1 345.531 2.660 20 10 EFCDMP CCc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCN(C)C)CC[C@@H]3C2)c(O)c1 ZINC001276804666 1315311477 /nfs/dbraw/zinc/31/14/77/1315311477.db2.gz JTLPUIJFRPHTDD-KDURUIRLSA-N 2 1 345.531 2.660 20 10 EFCDMP CCc1ccc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c(O)c1 ZINC001276804666 1315311479 /nfs/dbraw/zinc/31/14/79/1315311479.db2.gz JTLPUIJFRPHTDD-KDURUIRLSA-N 2 1 345.531 2.660 20 10 EFCDMP CCc1ccc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c(O)c1 ZINC001276804666 1315311481 /nfs/dbraw/zinc/31/14/81/1315311481.db2.gz JTLPUIJFRPHTDD-KDURUIRLSA-N 2 1 345.531 2.660 20 10 EFCDMP CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(C)C ZINC001318802839 1328704884 /nfs/dbraw/zinc/70/48/84/1328704884.db2.gz AGSVJBBYACIYLF-UYAOXDASSA-N 2 1 349.494 2.871 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCCS3)cc2F)CC1 ZINC001320044407 1329064360 /nfs/dbraw/zinc/06/43/60/1329064360.db2.gz ZWPGLOFFKLNYIE-INIZCTEOSA-N 2 1 337.508 2.953 20 10 EFCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC001320245944 1329105802 /nfs/dbraw/zinc/10/58/02/1329105802.db2.gz KNUHNWLWMPXBMX-DLBZAZTESA-N 2 1 331.504 2.866 20 10 EFCDMP Cc1[nH+]ccc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1Cl ZINC001320855814 1329311092 /nfs/dbraw/zinc/31/10/92/1329311092.db2.gz JAGJQTIRKXTVQV-UHFFFAOYSA-N 2 1 348.853 2.968 20 10 EFCDMP CO[C@@]1(C)CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001321202423 1329355894 /nfs/dbraw/zinc/35/58/94/1329355894.db2.gz LRUHGWDGDVCYPP-FQEVSTJZSA-N 2 1 349.494 2.969 20 10 EFCDMP CO[C@@]1(C)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001321202423 1329355895 /nfs/dbraw/zinc/35/58/95/1329355895.db2.gz LRUHGWDGDVCYPP-FQEVSTJZSA-N 2 1 349.494 2.969 20 10 EFCDMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001325301229 1329678976 /nfs/dbraw/zinc/67/89/76/1329678976.db2.gz YNTOEMGDCJBRMY-IRXDYDNUSA-N 2 1 349.494 2.872 20 10 EFCDMP CCC[C@@]1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCOC1 ZINC001325660353 1329704413 /nfs/dbraw/zinc/70/44/13/1329704413.db2.gz PCXNSPNFTRGXLT-LJQANCHMSA-N 2 1 335.467 2.626 20 10 EFCDMP CC[N@H+](CCSC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326612755 1330327999 /nfs/dbraw/zinc/32/79/99/1330327999.db2.gz VUVVZUSIFZJECD-UHFFFAOYSA-N 2 1 325.497 2.762 20 10 EFCDMP CC[N@@H+](CCSC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326612755 1330328010 /nfs/dbraw/zinc/32/80/10/1330328010.db2.gz VUVVZUSIFZJECD-UHFFFAOYSA-N 2 1 325.497 2.762 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C(C)(C)O)CC3)cc2F)CC1 ZINC001331083861 1330793243 /nfs/dbraw/zinc/79/32/43/1330793243.db2.gz SDYLMOYZYPQUFH-UHFFFAOYSA-N 2 1 349.494 2.560 20 10 EFCDMP CCC[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)OCC ZINC001331519434 1330847173 /nfs/dbraw/zinc/84/71/73/1330847173.db2.gz JPOPLGOHKDXGEG-KRWDZBQOSA-N 2 1 337.483 2.872 20 10 EFCDMP COCC1(C)CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001337430458 1331573587 /nfs/dbraw/zinc/57/35/87/1331573587.db2.gz NQNIJLMUASABAU-UHFFFAOYSA-N 2 1 349.494 2.826 20 10 EFCDMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000848557870 1334794278 /nfs/dbraw/zinc/79/42/78/1334794278.db2.gz MPIRVVCRRZWXQC-UHFFFAOYSA-N 2 1 331.504 2.613 20 10 EFCDMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(O)c1OC ZINC000891746561 714992885 /nfs/dbraw/zinc/99/28/85/714992885.db2.gz VSGHKSMQOCWFGH-UHFFFAOYSA-N 2 1 336.476 2.962 20 10 EFCDMP Cc1cc(O)c(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1C ZINC000092665083 715115980 /nfs/dbraw/zinc/11/59/80/715115980.db2.gz RHHOMXJOULZJCT-KDURUIRLSA-N 2 1 345.531 2.999 20 10 EFCDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158256789 715490329 /nfs/dbraw/zinc/49/03/29/715490329.db2.gz JCZMEXBCGTYKEH-HOTGVXAUSA-N 2 1 335.467 2.655 20 10 EFCDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2O)CC1)Cc1ccccc1 ZINC000179570698 717790733 /nfs/dbraw/zinc/79/07/33/717790733.db2.gz YHWVOPQMLRAULE-UHFFFAOYSA-N 2 1 339.483 2.642 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1OC ZINC000895379308 724090064 /nfs/dbraw/zinc/09/00/64/724090064.db2.gz UBUWTLPRFOCYBR-HOCLYGCPSA-N 2 1 336.476 2.962 20 10 EFCDMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c(O)c1OC ZINC000895508082 724163954 /nfs/dbraw/zinc/16/39/54/724163954.db2.gz DXDVRVLZLVFTIK-ZBFHGGJFSA-N 2 1 336.476 2.962 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000917019351 727755186 /nfs/dbraw/zinc/75/51/86/727755186.db2.gz BWCYSVYDAGWUKH-FQEVSTJZSA-N 2 1 331.504 2.565 20 10 EFCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000917019351 727755187 /nfs/dbraw/zinc/75/51/87/727755187.db2.gz BWCYSVYDAGWUKH-FQEVSTJZSA-N 2 1 331.504 2.565 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000917019352 727755198 /nfs/dbraw/zinc/75/51/98/727755198.db2.gz BWCYSVYDAGWUKH-HXUWFJFHSA-N 2 1 331.504 2.565 20 10 EFCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000917019352 727755199 /nfs/dbraw/zinc/75/51/99/727755199.db2.gz BWCYSVYDAGWUKH-HXUWFJFHSA-N 2 1 331.504 2.565 20 10 EFCDMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000841099546 727974068 /nfs/dbraw/zinc/97/40/68/727974068.db2.gz LLTQIJHQWHTFHN-YOEHRIQHSA-N 2 1 342.842 2.903 20 10 EFCDMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001576392099 1089180239 /nfs/dbraw/zinc/18/02/39/1089180239.db2.gz WTLJFTKLWDZALZ-IPELMVKDSA-N 2 1 347.478 2.529 20 10 EFCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(C[NH3+])c1 ZINC001578489881 1090385228 /nfs/dbraw/zinc/38/52/28/1090385228.db2.gz SCMNZFYARCPYSI-UHFFFAOYSA-N 2 1 325.456 2.614 20 10 EFCDMP COc1c(O)c(C[NH+]2CCC3(C[NH2+][C@@H]3C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001579136685 1090522527 /nfs/dbraw/zinc/52/25/27/1090522527.db2.gz PUXRSMOSPQRKDW-QGZVFWFLSA-N 2 1 349.431 2.519 20 10 EFCDMP CC(C)(C)c1cc(O)c(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)cc1Cl ZINC001204757540 1100208486 /nfs/dbraw/zinc/20/84/86/1100208486.db2.gz ZKJQXIUNDFLSHA-ZDUSSCGKSA-N 2 1 326.868 2.893 20 10 EFCDMP CC(C)(C)c1cc(O)c(C[N@H+]2CCO[C@@H](CC[NH3+])C2)cc1Cl ZINC001204757540 1100208497 /nfs/dbraw/zinc/20/84/97/1100208497.db2.gz ZKJQXIUNDFLSHA-ZDUSSCGKSA-N 2 1 326.868 2.893 20 10 EFCDMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCCO1 ZINC000841100942 1102975821 /nfs/dbraw/zinc/97/58/21/1102975821.db2.gz PLQFWSIXFZNOON-LJQANCHMSA-N 2 1 342.439 2.521 20 10 EFCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCCO1 ZINC000841100942 1102975828 /nfs/dbraw/zinc/97/58/28/1102975828.db2.gz PLQFWSIXFZNOON-LJQANCHMSA-N 2 1 342.439 2.521 20 10 EFCDMP CN(C)c1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000898450137 1108944326 /nfs/dbraw/zinc/94/43/26/1108944326.db2.gz OGYWDEGGMCDWRT-RLLQIKCJSA-N 2 1 330.520 2.572 20 10 EFCDMP CN(C)c1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000898448043 1108949105 /nfs/dbraw/zinc/94/91/05/1108949105.db2.gz OLQOTWPPZYTFSU-ZNBHLAFESA-N 2 1 330.520 2.570 20 10 EFCDMP CN(C)c1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000898448043 1108949111 /nfs/dbraw/zinc/94/91/11/1108949111.db2.gz OLQOTWPPZYTFSU-ZNBHLAFESA-N 2 1 330.520 2.570 20 10 EFCDMP CN(C)c1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000898448041 1108949768 /nfs/dbraw/zinc/94/97/68/1108949768.db2.gz OLQOTWPPZYTFSU-QZNYNHHHSA-N 2 1 330.520 2.570 20 10 EFCDMP CN(C)c1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000898448041 1108949771 /nfs/dbraw/zinc/94/97/71/1108949771.db2.gz OLQOTWPPZYTFSU-QZNYNHHHSA-N 2 1 330.520 2.570 20 10 EFCDMP Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1O ZINC001235957047 1111932830 /nfs/dbraw/zinc/93/28/30/1111932830.db2.gz KCAGBAXQOGCZNG-GFCCVEGCSA-N 2 1 327.266 2.895 20 10 EFCDMP COc1cc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000160459173 239052541 /nfs/dbraw/zinc/05/25/41/239052541.db2.gz VZUDEJVNIXEDLJ-PBHICJAKSA-N 2 1 346.471 2.858 20 10 EFCDMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000160459173 239052545 /nfs/dbraw/zinc/05/25/45/239052545.db2.gz VZUDEJVNIXEDLJ-PBHICJAKSA-N 2 1 346.471 2.858 20 10 EFCDMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000160459173 239052550 /nfs/dbraw/zinc/05/25/50/239052550.db2.gz VZUDEJVNIXEDLJ-PBHICJAKSA-N 2 1 346.471 2.858 20 10 EFCDMP Oc1cccc(Cl)c1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000295522311 241056717 /nfs/dbraw/zinc/05/67/17/241056717.db2.gz VVZVTUAUBBJODZ-INIZCTEOSA-N 2 1 346.858 2.902 20 10 EFCDMP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(F)ccc1O ZINC000185166137 473349040 /nfs/dbraw/zinc/34/90/40/473349040.db2.gz HLWQOTDJRIXERM-CQSZACIVSA-N 2 1 344.434 2.529 20 10 EFCDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)ccc1O ZINC000185366719 473407495 /nfs/dbraw/zinc/40/74/95/473407495.db2.gz DLYSTKPBXWYHAG-CQSZACIVSA-N 2 1 325.884 2.724 20 10 EFCDMP CCCn1ccnc1CCC[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000191278271 473523200 /nfs/dbraw/zinc/52/32/00/473523200.db2.gz NCYXOPIDAGDXPL-UHFFFAOYSA-N 2 1 331.416 2.792 20 10 EFCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000191278271 473523207 /nfs/dbraw/zinc/52/32/07/473523207.db2.gz NCYXOPIDAGDXPL-UHFFFAOYSA-N 2 1 331.416 2.792 20 10 EFCDMP COc1ccc(O)c(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000179884101 473748815 /nfs/dbraw/zinc/74/88/15/473748815.db2.gz DCYGSLQEOLWNNP-IYBDPMFKSA-N 2 1 348.487 2.722 20 10 EFCDMP CCN(CC)c1ccc(C[N@@H+](CCO)C2CCN(C)CC2)cc1F ZINC000269357143 473784679 /nfs/dbraw/zinc/78/46/79/473784679.db2.gz NCAORUQXYCCHRJ-UHFFFAOYSA-N 2 1 337.483 2.560 20 10 EFCDMP CCN(CC)c1ccc(CN(CCO)C2CC[NH+](C)CC2)cc1F ZINC000269357143 473784686 /nfs/dbraw/zinc/78/46/86/473784686.db2.gz NCAORUQXYCCHRJ-UHFFFAOYSA-N 2 1 337.483 2.560 20 10 EFCDMP Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000227437232 474246122 /nfs/dbraw/zinc/24/61/22/474246122.db2.gz GFUJDVMTBJUZKB-NSHDSACASA-N 2 1 325.250 2.729 20 10 EFCDMP Cc1ccc(O)c(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000190322389 474579051 /nfs/dbraw/zinc/57/90/51/474579051.db2.gz MUVUNEQVAFZASK-OAQYLSRUSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1ccc(O)c(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000190322389 474579063 /nfs/dbraw/zinc/57/90/63/474579063.db2.gz MUVUNEQVAFZASK-OAQYLSRUSA-N 2 1 340.467 2.769 20 10 EFCDMP Cc1ccc(O)c(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000190322389 474579067 /nfs/dbraw/zinc/57/90/67/474579067.db2.gz MUVUNEQVAFZASK-OAQYLSRUSA-N 2 1 340.467 2.769 20 10 EFCDMP CCN(CC)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000272567998 474618451 /nfs/dbraw/zinc/61/84/51/474618451.db2.gz CQKLRCFHVJEIBL-UHFFFAOYSA-N 2 1 332.536 2.602 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000273622760 474993940 /nfs/dbraw/zinc/99/39/40/474993940.db2.gz ZOJGCTCLCDALJS-HUUCEWRRSA-N 2 1 334.460 2.950 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000273622760 474993946 /nfs/dbraw/zinc/99/39/46/474993946.db2.gz ZOJGCTCLCDALJS-HUUCEWRRSA-N 2 1 334.460 2.950 20 10 EFCDMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000268838955 475046576 /nfs/dbraw/zinc/04/65/76/475046576.db2.gz MRRSYSBGSZKGGZ-XLIONFOSSA-N 2 1 331.504 2.784 20 10 EFCDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887326 475052123 /nfs/dbraw/zinc/05/21/23/475052123.db2.gz ZCMWSWIDAOITMO-WWMYMODYSA-N 2 1 345.531 2.714 20 10 EFCDMP COc1c(O)c(C[NH2+]CCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000293750738 475052520 /nfs/dbraw/zinc/05/25/20/475052520.db2.gz WTHIWVPUCLNWPY-UHFFFAOYSA-N 2 1 337.420 2.665 20 10 EFCDMP CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000371469979 477339925 /nfs/dbraw/zinc/33/99/25/477339925.db2.gz HSVQXDUXNMXPKW-AYOQOUSVSA-N 2 1 335.467 2.575 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000371469979 477339928 /nfs/dbraw/zinc/33/99/28/477339928.db2.gz HSVQXDUXNMXPKW-AYOQOUSVSA-N 2 1 335.467 2.575 20 10 EFCDMP COc1ccc(N2CCC([NH2+]CCCn3cc[nH+]c3C)CC2)cc1 ZINC000363827514 536670903 /nfs/dbraw/zinc/67/09/03/536670903.db2.gz PRRNHANEQHNAFD-UHFFFAOYSA-N 2 1 328.460 2.849 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000756435130 575738981 /nfs/dbraw/zinc/73/89/81/575738981.db2.gz WJQIHTPIRYQYBF-LSDHHAIUSA-N 2 1 334.460 2.951 20 10 EFCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762790207 576331820 /nfs/dbraw/zinc/33/18/20/576331820.db2.gz YQZBYXJFCUHEQL-XLIONFOSSA-N 2 1 331.504 2.784 20 10 EFCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000762790207 576331822 /nfs/dbraw/zinc/33/18/22/576331822.db2.gz YQZBYXJFCUHEQL-XLIONFOSSA-N 2 1 331.504 2.784 20 10 EFCDMP COc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000764965229 576529752 /nfs/dbraw/zinc/52/97/52/576529752.db2.gz JEIZUIJWEVPXSV-VQTJNVASSA-N 2 1 329.488 2.880 20 10 EFCDMP COc1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000764965229 576529753 /nfs/dbraw/zinc/52/97/53/576529753.db2.gz JEIZUIJWEVPXSV-VQTJNVASSA-N 2 1 329.488 2.880 20 10 EFCDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccccc2O)c2cccs2)CC1 ZINC000725841372 577243578 /nfs/dbraw/zinc/24/35/78/577243578.db2.gz CWKMUHFOYJHSCH-INIZCTEOSA-N 2 1 331.485 2.532 20 10 EFCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768449733 577275053 /nfs/dbraw/zinc/27/50/53/577275053.db2.gz ZSWIFMCHZDWCIL-IBGZPJMESA-N 2 1 348.487 2.762 20 10 EFCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768465796 577276319 /nfs/dbraw/zinc/27/63/19/577276319.db2.gz LQSFVLMDBLGKON-KRWDZBQOSA-N 2 1 336.476 2.642 20 10 EFCDMP CCOc1ccc(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)c(O)c1 ZINC000769514300 577368839 /nfs/dbraw/zinc/36/88/39/577368839.db2.gz IXTVYNQITKNXOW-SFHVURJKSA-N 2 1 336.476 2.724 20 10 EFCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000769513608 577368958 /nfs/dbraw/zinc/36/89/58/577368958.db2.gz CXLSCKAOWFVVKW-AWEZNQCLSA-N 2 1 326.868 2.978 20 10 EFCDMP COC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(C)o1 ZINC000771843459 581249924 /nfs/dbraw/zinc/24/99/24/581249924.db2.gz PZSYEQITAOVQBN-IBGZPJMESA-N 2 1 343.471 2.817 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)c3nccs3)cc2)CC1 ZINC000771844124 581249992 /nfs/dbraw/zinc/24/99/92/581249992.db2.gz WCYJPJUZOSETRE-UHFFFAOYSA-N 2 1 330.501 2.920 20 10 EFCDMP CCN(C)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000773823587 581466440 /nfs/dbraw/zinc/46/64/40/581466440.db2.gz UWLMHUKZQQIGCL-GHTZIAJQSA-N 2 1 344.547 2.601 20 10 EFCDMP Oc1cccc2c1[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000702544351 1271478094 /nfs/dbraw/zinc/47/80/94/1271478094.db2.gz KEVXHIRRIRWRCY-NQIIRXRSSA-N 2 1 338.451 2.606 20 10 EFCDMP Oc1cccc2c1[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000702544351 1271478100 /nfs/dbraw/zinc/47/81/00/1271478100.db2.gz KEVXHIRRIRWRCY-NQIIRXRSSA-N 2 1 338.451 2.606 20 10 EFCDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C2 ZINC001169107494 1272700481 /nfs/dbraw/zinc/70/04/81/1272700481.db2.gz IBFUFJFCFLVKOX-BTTYYORXSA-N 2 1 325.250 2.870 20 10 EFCDMP Oc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169923893 1273264252 /nfs/dbraw/zinc/26/42/52/1273264252.db2.gz KMNRIUZJMGJMIF-SFHVURJKSA-N 2 1 346.471 2.632 20 10 EFCDMP Oc1cccc(Br)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000706853932 1275053359 /nfs/dbraw/zinc/05/33/59/1275053359.db2.gz NQHVVPIFFITQCG-RYUDHWBXSA-N 2 1 325.250 2.871 20 10 EFCDMP Oc1cccc(Br)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000706853932 1275053372 /nfs/dbraw/zinc/05/33/72/1275053372.db2.gz NQHVVPIFFITQCG-RYUDHWBXSA-N 2 1 325.250 2.871 20 10 EFCDMP Oc1cccc(Br)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000706853928 1275053933 /nfs/dbraw/zinc/05/39/33/1275053933.db2.gz NQHVVPIFFITQCG-NEPJUHHUSA-N 2 1 325.250 2.871 20 10 EFCDMP Oc1cccc(Br)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000706853928 1275053940 /nfs/dbraw/zinc/05/39/40/1275053940.db2.gz NQHVVPIFFITQCG-NEPJUHHUSA-N 2 1 325.250 2.871 20 10 EFCDMP C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000817899337 1276366679 /nfs/dbraw/zinc/36/66/79/1276366679.db2.gz LGTFGNCGIQXQDH-GRDNDAEWSA-N 2 1 339.430 2.987 20 10 EFCDMP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1O ZINC000817936313 1276381824 /nfs/dbraw/zinc/38/18/24/1276381824.db2.gz NWEXOQIQSMIUTE-NSHDSACASA-N 2 1 332.275 2.645 20 10 EFCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC000817968841 1276411722 /nfs/dbraw/zinc/41/17/22/1276411722.db2.gz NJKBJVWWYWFBNM-LBPRGKRZSA-N 2 1 326.396 2.633 20 10 EFCDMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817981374 1276420652 /nfs/dbraw/zinc/42/06/52/1276420652.db2.gz RSWYAOYUTKABON-RDJZCZTQSA-N 2 1 335.467 2.845 20 10 EFCDMP COc1ccc(N2CC[C@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000818342250 1276510085 /nfs/dbraw/zinc/51/00/85/1276510085.db2.gz NQEPNEPQXDFRCB-MRXNPFEDSA-N 2 1 329.488 2.738 20 10 EFCDMP COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)c3c[nH+]ccc3N)C2)cc1 ZINC000818614811 1276539404 /nfs/dbraw/zinc/53/94/04/1276539404.db2.gz GPSKRVHLWAYBGU-LSDHHAIUSA-N 2 1 326.444 2.680 20 10 EFCDMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1N(C)C ZINC000815078041 1287302046 /nfs/dbraw/zinc/30/20/46/1287302046.db2.gz LZPUSWSABYUTGG-NQIIRXRSSA-N 2 1 344.547 2.519 20 10 EFCDMP CO[C@]1(C)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000793339883 1279559292 /nfs/dbraw/zinc/55/92/92/1279559292.db2.gz NMMXPZMNTCPENX-HXUWFJFHSA-N 2 1 331.504 2.829 20 10 EFCDMP C[N@H+](Cc1c(O)cc(O)cc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001144504598 1279748899 /nfs/dbraw/zinc/74/88/99/1279748899.db2.gz WNVQZMSEZDKSOL-UHFFFAOYSA-N 2 1 342.439 2.900 20 10 EFCDMP C[N@@H+](Cc1c(O)cc(O)cc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001144504598 1279748905 /nfs/dbraw/zinc/74/89/05/1279748905.db2.gz WNVQZMSEZDKSOL-UHFFFAOYSA-N 2 1 342.439 2.900 20 10 EFCDMP C[N@H+](Cc1c(O)cc(O)cc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001144514438 1279773927 /nfs/dbraw/zinc/77/39/27/1279773927.db2.gz DGGXIGVCCIHXPG-MRXNPFEDSA-N 2 1 342.439 2.757 20 10 EFCDMP C[NH+](Cc1c(O)cc(O)cc1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001144514438 1279773931 /nfs/dbraw/zinc/77/39/31/1279773931.db2.gz DGGXIGVCCIHXPG-MRXNPFEDSA-N 2 1 342.439 2.757 20 10 EFCDMP C[NH+](Cc1c(O)cc(O)cc1O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001144514438 1279773937 /nfs/dbraw/zinc/77/39/37/1279773937.db2.gz DGGXIGVCCIHXPG-MRXNPFEDSA-N 2 1 342.439 2.757 20 10 EFCDMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(N2CCOCC2)cc1 ZINC000846845437 1280571664 /nfs/dbraw/zinc/57/16/64/1280571664.db2.gz OJOOAYJHFCWNTK-INIZCTEOSA-N 2 1 328.460 2.540 20 10 EFCDMP CCOc1ccc(CN(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c(O)c1 ZINC000809738397 1282437680 /nfs/dbraw/zinc/43/76/80/1282437680.db2.gz XEMGZFMRCADSCT-SFHVURJKSA-N 2 1 349.519 2.639 20 10 EFCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809750297 1282449103 /nfs/dbraw/zinc/44/91/03/1282449103.db2.gz SZUJVRVLWIGDHK-UHFFFAOYSA-N 3 1 344.547 2.746 20 10 EFCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809752341 1282455241 /nfs/dbraw/zinc/45/52/41/1282455241.db2.gz BDGAVNKCLNKBNT-UHFFFAOYSA-N 2 1 346.450 2.689 20 10 EFCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809752341 1282455247 /nfs/dbraw/zinc/45/52/47/1282455247.db2.gz BDGAVNKCLNKBNT-UHFFFAOYSA-N 2 1 346.450 2.689 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCc4occc4C3)cc2)CC1 ZINC000809792852 1282490511 /nfs/dbraw/zinc/49/05/11/1282490511.db2.gz JISZRAWRKHDGNV-UHFFFAOYSA-N 2 1 325.456 2.980 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000811510671 1284390056 /nfs/dbraw/zinc/39/00/56/1284390056.db2.gz MSICSDFXBBWEJZ-PMACEKPBSA-N 2 1 343.515 2.828 20 10 EFCDMP Cc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000747854571 1285875543 /nfs/dbraw/zinc/87/55/43/1285875543.db2.gz OWJOHDMBRUYOMQ-OAQYLSRUSA-N 2 1 341.499 2.949 20 10 EFCDMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001172605469 1286198835 /nfs/dbraw/zinc/19/88/35/1286198835.db2.gz XQTUQZAURDSHIO-QAPCUYQASA-N 2 1 346.471 2.678 20 10 EFCDMP CC(C)[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCO1 ZINC000816675921 1288241342 /nfs/dbraw/zinc/24/13/42/1288241342.db2.gz OPWBZMSGQZKJHC-HXUWFJFHSA-N 2 1 331.504 2.685 20 10 EFCDMP C[N@@H+](Cc1ccc(CN2CCOCC2)cc1)Cc1ccccc1O ZINC000817276242 1288520332 /nfs/dbraw/zinc/52/03/32/1288520332.db2.gz WHNJQWQVIDPPDF-UHFFFAOYSA-N 2 1 326.440 2.856 20 10 EFCDMP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Cn1cccn1 ZINC000873009955 1289517132 /nfs/dbraw/zinc/51/71/32/1289517132.db2.gz XRESBLOFTWBASK-UHFFFAOYSA-N 2 1 340.471 2.656 20 10 EFCDMP Cc1cccc(O)c1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000876886086 1291057876 /nfs/dbraw/zinc/05/78/76/1291057876.db2.gz TXLITCRGJZLVRJ-QGZVFWFLSA-N 2 1 345.512 2.840 20 10 EFCDMP C[N@@H+](CCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877577984 1291281101 /nfs/dbraw/zinc/28/11/01/1291281101.db2.gz PSQUORDVIDPLLI-UHFFFAOYSA-N 2 1 331.504 2.612 20 10 EFCDMP Oc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203556729 1312955596 /nfs/dbraw/zinc/95/55/96/1312955596.db2.gz VJIDPKFYSRZIMS-AZUAARDMSA-N 2 1 330.472 2.715 20 10 EFCDMP Oc1ccccc1C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203556729 1312955601 /nfs/dbraw/zinc/95/56/01/1312955601.db2.gz VJIDPKFYSRZIMS-AZUAARDMSA-N 2 1 330.472 2.715 20 10 EFCDMP Oc1ccccc1C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203556729 1312955604 /nfs/dbraw/zinc/95/56/04/1312955604.db2.gz VJIDPKFYSRZIMS-AZUAARDMSA-N 2 1 330.472 2.715 20 10 EFCDMP Oc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203556729 1312955608 /nfs/dbraw/zinc/95/56/08/1312955608.db2.gz VJIDPKFYSRZIMS-AZUAARDMSA-N 2 1 330.472 2.715 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4ccc(O)cc4C3)cc2)CC1 ZINC000775655194 1293912785 /nfs/dbraw/zinc/91/27/85/1293912785.db2.gz AVQBWFKGBAOUNP-UHFFFAOYSA-N 2 1 337.467 2.702 20 10 EFCDMP C[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775723034 1294270070 /nfs/dbraw/zinc/27/00/70/1294270070.db2.gz BPPBYULIZJMOIT-UHFFFAOYSA-N 2 1 347.503 2.602 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C4CCOCC4)C3)cc2)CC1 ZINC000775725014 1294285278 /nfs/dbraw/zinc/28/52/78/1294285278.db2.gz FGQVHLACJORFIY-HXUWFJFHSA-N 2 1 343.515 2.687 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](c4ccco4)C3)cc2)CC1 ZINC000775734713 1294322499 /nfs/dbraw/zinc/32/24/99/1294322499.db2.gz XSIOZZZDTVAZMQ-HXUWFJFHSA-N 2 1 341.455 2.605 20 10 EFCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(C)(C)C)ccc1O ZINC001276443989 1313089665 /nfs/dbraw/zinc/08/96/65/1313089665.db2.gz BCINEXLGGLQUOL-KDURUIRLSA-N 2 1 345.531 2.900 20 10 EFCDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001275267036 1296246069 /nfs/dbraw/zinc/24/60/69/1296246069.db2.gz JQBBHWAJDMJCSI-UHFFFAOYSA-N 2 1 331.504 2.632 20 10 EFCDMP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001275267036 1296246075 /nfs/dbraw/zinc/24/60/75/1296246075.db2.gz JQBBHWAJDMJCSI-UHFFFAOYSA-N 2 1 331.504 2.632 20 10 EFCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205220874 1313253327 /nfs/dbraw/zinc/25/33/27/1313253327.db2.gz MWCPWMUOVLVUJW-FQEVSTJZSA-N 2 1 327.472 2.770 20 10 EFCDMP Cc1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)ccc1N(C)C ZINC001235223223 1313267248 /nfs/dbraw/zinc/26/72/48/1313267248.db2.gz BYOZKZRZKFOGRV-HOCLYGCPSA-N 2 1 327.394 2.645 20 10 EFCDMP Cc1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)ccc1N(C)C ZINC001235223223 1313267252 /nfs/dbraw/zinc/26/72/52/1313267252.db2.gz BYOZKZRZKFOGRV-HOCLYGCPSA-N 2 1 327.394 2.645 20 10 EFCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC001205560073 1313313560 /nfs/dbraw/zinc/31/35/60/1313313560.db2.gz ZCFAKTXUGZVUNQ-CQSZACIVSA-N 2 1 331.229 2.808 20 10 EFCDMP COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424393 1313318828 /nfs/dbraw/zinc/31/88/28/1313318828.db2.gz HSOJBOQBSBVCLZ-IRXDYDNUSA-N 2 1 331.504 2.973 20 10 EFCDMP COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424396 1313319439 /nfs/dbraw/zinc/31/94/39/1313319439.db2.gz HSOJBOQBSBVCLZ-SJORKVTESA-N 2 1 331.504 2.973 20 10 EFCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)cc2)CC1 ZINC001205627230 1313326074 /nfs/dbraw/zinc/32/60/74/1313326074.db2.gz ODVXHNKRNDLCBY-ICSRJNTNSA-N 3 1 344.547 2.635 20 10 EFCDMP COC(=O)c1c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c2ccccc2n1C ZINC001205637893 1313328035 /nfs/dbraw/zinc/32/80/35/1313328035.db2.gz JTHOAGUCOJYASN-HUUCEWRRSA-N 2 1 343.471 2.772 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c2ccccc2n1C ZINC001205912937 1313375321 /nfs/dbraw/zinc/37/53/21/1313375321.db2.gz FFEBWLRJVIPAKN-HUUCEWRRSA-N 2 1 343.471 2.914 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c2ccccc2n1C ZINC001205912937 1313375325 /nfs/dbraw/zinc/37/53/25/1313375325.db2.gz FFEBWLRJVIPAKN-HUUCEWRRSA-N 2 1 343.471 2.914 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c2ccccc2n1C ZINC001205912936 1313375394 /nfs/dbraw/zinc/37/53/94/1313375394.db2.gz FFEBWLRJVIPAKN-GJZGRUSLSA-N 2 1 343.471 2.914 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c2ccccc2n1C ZINC001205912936 1313375398 /nfs/dbraw/zinc/37/53/98/1313375398.db2.gz FFEBWLRJVIPAKN-GJZGRUSLSA-N 2 1 343.471 2.914 20 10 EFCDMP C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCC[C@H]1C[NH3+] ZINC001205984260 1313386099 /nfs/dbraw/zinc/38/60/99/1313386099.db2.gz RRKWVXWXAVAGJN-RYUDHWBXSA-N 2 1 327.266 2.962 20 10 EFCDMP COc1ccc2c(c1)c1c(n2C)CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001235839436 1313407399 /nfs/dbraw/zinc/40/73/99/1313407399.db2.gz RPIDRXWRQIFHNV-HNNXBMFYSA-N 2 1 327.472 2.935 20 10 EFCDMP CCOC(=O)c1c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c2ccccc2n1C ZINC001206197895 1313419620 /nfs/dbraw/zinc/41/96/20/1313419620.db2.gz KCCVLSYCBUAMTF-JKSUJKDBSA-N 2 1 347.434 2.616 20 10 EFCDMP CCOC(=O)c1c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c2ccccc2n1C ZINC001206197895 1313419622 /nfs/dbraw/zinc/41/96/22/1313419622.db2.gz KCCVLSYCBUAMTF-JKSUJKDBSA-N 2 1 347.434 2.616 20 10 EFCDMP Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c(O)cc1Br ZINC001235958427 1313423146 /nfs/dbraw/zinc/42/31/46/1313423146.db2.gz IUNTZRDLGUCSLS-QHBPRCKVSA-N 2 1 325.250 2.632 20 10 EFCDMP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c(O)cc1Br ZINC001235958427 1313423148 /nfs/dbraw/zinc/42/31/48/1313423148.db2.gz IUNTZRDLGUCSLS-QHBPRCKVSA-N 2 1 325.250 2.632 20 10 EFCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)c2ccccc21 ZINC001236073571 1313437910 /nfs/dbraw/zinc/43/79/10/1313437910.db2.gz PAVKZCNUDDAMNK-GOSISDBHSA-N 2 1 338.499 2.513 20 10 EFCDMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236072121 1313437933 /nfs/dbraw/zinc/43/79/33/1313437933.db2.gz OEQHUSXONKBSTM-MRXNPFEDSA-N 2 1 337.467 2.749 20 10 EFCDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)C1CC[NH2+]CC1 ZINC001236181844 1313452584 /nfs/dbraw/zinc/45/25/84/1313452584.db2.gz HOPDOCAMUOXMBN-UHFFFAOYSA-N 3 1 344.547 2.793 20 10 EFCDMP C[N@@H+](CCc1ccccc1F)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236265043 1313462277 /nfs/dbraw/zinc/46/22/77/1313462277.db2.gz HCOMHCMTOJMYGO-UHFFFAOYSA-N 2 1 327.447 2.910 20 10 EFCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001206556885 1313475826 /nfs/dbraw/zinc/47/58/26/1313475826.db2.gz ZGZHRXLRJWJAEB-IBGZPJMESA-N 2 1 335.467 2.613 20 10 EFCDMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC2CC2)CC1 ZINC001236552329 1313491608 /nfs/dbraw/zinc/49/16/08/1313491608.db2.gz JYAXRBXEFMVYTK-XUTJKUGGSA-N 3 1 342.531 2.578 20 10 EFCDMP C[N@@H+](CCc1ccccn1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236932598 1313556616 /nfs/dbraw/zinc/55/66/16/1313556616.db2.gz SMCXRUOKNVZJMQ-UHFFFAOYSA-N 2 1 342.462 2.647 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC4(C3)CCOCC4)c(F)c2)CC1 ZINC001236937700 1313557323 /nfs/dbraw/zinc/55/73/23/1313557323.db2.gz DEBFECAGSOQHFM-UHFFFAOYSA-N 2 1 347.478 2.580 20 10 EFCDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C1CCOCC1 ZINC001236942395 1313557884 /nfs/dbraw/zinc/55/78/84/1313557884.db2.gz JGUVGCBJJMKSPV-UHFFFAOYSA-N 2 1 349.494 2.969 20 10 EFCDMP C[N@@H+](Cc1ccccc1O)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236944037 1313558200 /nfs/dbraw/zinc/55/82/00/1313558200.db2.gz YSXROJFFNWBEMS-UHFFFAOYSA-N 2 1 343.446 2.915 20 10 EFCDMP CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(O)c1 ZINC001237048975 1313575843 /nfs/dbraw/zinc/57/58/43/1313575843.db2.gz QENPOURNOZUABZ-RBUKOAKNSA-N 2 1 331.504 2.726 20 10 EFCDMP FC(F)(F)Oc1ccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001237205490 1313606100 /nfs/dbraw/zinc/60/61/00/1313606100.db2.gz MOOKCKIAMRIRMT-CQSZACIVSA-N 2 1 343.393 2.707 20 10 EFCDMP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1O ZINC000852754625 1299864237 /nfs/dbraw/zinc/86/42/37/1299864237.db2.gz YIZAYOQXBVJUQC-OAHLLOKOSA-N 2 1 334.435 2.946 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853241703 1300062289 /nfs/dbraw/zinc/06/22/89/1300062289.db2.gz XEYISNNIACDFNW-GDBMZVCRSA-N 2 1 346.471 2.951 20 10 EFCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853241703 1300062304 /nfs/dbraw/zinc/06/23/04/1300062304.db2.gz XEYISNNIACDFNW-GDBMZVCRSA-N 2 1 346.471 2.951 20 10 EFCDMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccc(N2CCOCC2)cc1 ZINC001207484413 1313697820 /nfs/dbraw/zinc/69/78/20/1313697820.db2.gz JWSDBQRCVJSQFY-UHFFFAOYSA-N 2 1 331.504 2.687 20 10 EFCDMP CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000863646842 1302666705 /nfs/dbraw/zinc/66/67/05/1302666705.db2.gz PXNWIKSRIOFVIH-OCCSQVGLSA-N 2 1 332.366 2.750 20 10 EFCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000863646842 1302666716 /nfs/dbraw/zinc/66/67/16/1302666716.db2.gz PXNWIKSRIOFVIH-OCCSQVGLSA-N 2 1 332.366 2.750 20 10 EFCDMP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000863646843 1302666864 /nfs/dbraw/zinc/66/68/64/1302666864.db2.gz PXNWIKSRIOFVIH-TZMCWYRMSA-N 2 1 332.366 2.750 20 10 EFCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000863646843 1302666875 /nfs/dbraw/zinc/66/68/75/1302666875.db2.gz PXNWIKSRIOFVIH-TZMCWYRMSA-N 2 1 332.366 2.750 20 10 EFCDMP Oc1c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc2c3c1CCCN3CCC2 ZINC001222347140 1311117233 /nfs/dbraw/zinc/11/72/33/1311117233.db2.gz XGXWWRGFFNQYQS-NRFANRHFSA-N 2 1 341.499 2.809 20 10 EFCDMP Oc1c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc2c3c1CCCN3CCC2 ZINC001222347140 1311117235 /nfs/dbraw/zinc/11/72/35/1311117235.db2.gz XGXWWRGFFNQYQS-NRFANRHFSA-N 2 1 341.499 2.809 20 10 EFCDMP Cc1cc(Br)c(O)c(C[NH+]2CCC(F)(C[NH3+])CC2)c1 ZINC001222548235 1311150985 /nfs/dbraw/zinc/15/09/85/1311150985.db2.gz BYBPTNCSLALRHM-UHFFFAOYSA-N 2 1 331.229 2.726 20 10 EFCDMP COc1cc(C)c(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(O)c1 ZINC001222609963 1311160665 /nfs/dbraw/zinc/16/06/65/1311160665.db2.gz TZVBYKPQFUGDSZ-IBGZPJMESA-N 2 1 338.451 2.898 20 10 EFCDMP COc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)cc1 ZINC001246521759 1314641225 /nfs/dbraw/zinc/64/12/25/1314641225.db2.gz QREIVDICJNHATB-MJGOQNOKSA-N 2 1 331.504 2.984 20 10 EFCDMP COc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](C(C)C)C3)CC2)c(C)c1 ZINC001246935070 1314710828 /nfs/dbraw/zinc/71/08/28/1314710828.db2.gz QGAFGACWKQJRGJ-MJGOQNOKSA-N 2 1 331.504 2.902 20 10 EFCDMP CCOc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](C(C)C)C3)CC2)cc1 ZINC001246948773 1314713059 /nfs/dbraw/zinc/71/30/59/1314713059.db2.gz LQYCXTOPWLQQJO-AZUAARDMSA-N 2 1 331.504 2.984 20 10 EFCDMP CCc1ccc(C[NH+]2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c(O)c1 ZINC001276805626 1315319163 /nfs/dbraw/zinc/31/91/63/1315319163.db2.gz ZBOVACOUYDVJLL-UHFFFAOYSA-N 2 1 345.531 2.804 20 10 EFCDMP CCc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)c(O)c1 ZINC001276805626 1315319167 /nfs/dbraw/zinc/31/91/67/1315319167.db2.gz ZBOVACOUYDVJLL-UHFFFAOYSA-N 2 1 345.531 2.804 20 10 EFCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2cc1O ZINC001276813218 1315409135 /nfs/dbraw/zinc/40/91/35/1315409135.db2.gz MXYKAONNQRHWHV-BGYRXZFFSA-N 2 1 339.483 2.756 20 10 EFCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc2ccccc2cc1O ZINC001276813329 1315410263 /nfs/dbraw/zinc/41/02/63/1315410263.db2.gz OBUQQJRWBBFCTF-PMACEKPBSA-N 2 1 339.483 2.756 20 10 EFCDMP CN1CCN(c2ccc(C[N@@H+](C)Cc3ccncc3)cc2F)CC1 ZINC001254746614 1315743226 /nfs/dbraw/zinc/74/32/26/1315743226.db2.gz VEQNAIOWVPMWMF-UHFFFAOYSA-N 2 1 328.435 2.605 20 10 EFCDMP CSC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1 ZINC001256204943 1315917291 /nfs/dbraw/zinc/91/72/91/1315917291.db2.gz IUIQTLQYXZWJRJ-UHFFFAOYSA-N 2 1 337.508 2.953 20 10 EFCDMP Oc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1O ZINC001258136538 1316123675 /nfs/dbraw/zinc/12/36/75/1316123675.db2.gz OAULAERRMVYTCE-UHFFFAOYSA-N 2 1 326.440 2.895 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(O)CCCCCC3)cc2F)CC1 ZINC001318669046 1328665420 /nfs/dbraw/zinc/66/54/20/1328665420.db2.gz ZOBPVZJNGKPUBJ-UHFFFAOYSA-N 2 1 349.494 2.752 20 10 EFCDMP CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320521956 1329151493 /nfs/dbraw/zinc/15/14/93/1329151493.db2.gz FPGQOOIXULWDLR-GOSISDBHSA-N 2 1 349.494 2.824 20 10 EFCDMP CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320521956 1329151497 /nfs/dbraw/zinc/15/14/97/1329151497.db2.gz FPGQOOIXULWDLR-GOSISDBHSA-N 2 1 349.494 2.824 20 10 EFCDMP CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320870018 1329312437 /nfs/dbraw/zinc/31/24/37/1329312437.db2.gz WCHZVWWETPMIIT-HXUWFJFHSA-N 2 1 349.494 2.705 20 10 EFCDMP CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320870018 1329312439 /nfs/dbraw/zinc/31/24/39/1329312439.db2.gz WCHZVWWETPMIIT-HXUWFJFHSA-N 2 1 349.494 2.705 20 10 EFCDMP CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320870018 1329312441 /nfs/dbraw/zinc/31/24/41/1329312441.db2.gz WCHZVWWETPMIIT-HXUWFJFHSA-N 2 1 349.494 2.705 20 10 EFCDMP CCOCC(C)(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323455612 1329544524 /nfs/dbraw/zinc/54/45/24/1329544524.db2.gz UAVHCQQPBMORBV-UHFFFAOYSA-N 2 1 337.483 2.730 20 10 EFCDMP CO[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(C)C ZINC001326138342 1329734586 /nfs/dbraw/zinc/73/45/86/1329734586.db2.gz NWJMDAWJJYZSBE-KRWDZBQOSA-N 2 1 337.483 2.728 20 10 EFCDMP COc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c(O)cc1C ZINC001337238394 1331552923 /nfs/dbraw/zinc/55/29/23/1331552923.db2.gz VYXHISOTSNRSLM-HNNXBMFYSA-N 2 1 327.428 2.815 20 10 EFCDMP C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H](C2CC2)O1 ZINC001339602691 1331910328 /nfs/dbraw/zinc/91/03/28/1331910328.db2.gz AFLCCZRAUMEWHS-YWZLYKJASA-N 2 1 347.478 2.577 20 10 EFCDMP CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001344096401 1332402564 /nfs/dbraw/zinc/40/25/64/1332402564.db2.gz QKFMSZAYDYPJHC-IEBWSBKVSA-N 2 1 335.467 2.625 20 10 EFCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001344578240 1332464350 /nfs/dbraw/zinc/46/43/50/1332464350.db2.gz CSNFFZYQPOBLDD-HZPDHXFCSA-N 2 1 331.504 2.865 20 10 EFCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H](O)C3CCCC3)cc2F)CC1 ZINC001348547597 1332847342 /nfs/dbraw/zinc/84/73/42/1332847342.db2.gz FOEGEPCMJRDYFD-HXUWFJFHSA-N 2 1 349.494 2.608 20 10 EFCDMP c1cc(N2CCCC2)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848517519 1334770283 /nfs/dbraw/zinc/77/02/83/1334770283.db2.gz FBIGFSFKTMMAEA-FQEVSTJZSA-N 2 1 329.488 2.630 20 10 EFCDMP CCc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1O ZINC000848902809 1334973235 /nfs/dbraw/zinc/97/32/35/1334973235.db2.gz TYTJJLDGTKYUPU-FQEVSTJZSA-N 2 1 340.467 2.811 20 10 EFCDMP CCc1cccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000848910923 1334980239 /nfs/dbraw/zinc/98/02/39/1334980239.db2.gz OIUVWONPDPJOBK-IBGZPJMESA-N 2 1 331.504 2.555 20 10 EFCDMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c(O)c1OC ZINC000895508080 724163942 /nfs/dbraw/zinc/16/39/42/724163942.db2.gz DXDVRVLZLVFTIK-GOEBONIOSA-N 2 1 336.476 2.962 20 10 EFCDMP