smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](Nc1ccc(N(C)C)[nH+]c1)c1ccc(I)cc1 ZINC000037283844 204580419 /nfs/dbraw/zinc/58/04/19/204580419.db2.gz QARNOMYMXFTTIX-NSHDSACASA-N 1 2 367.234 3.925 10 0 FHAELO Nc1c(NC23CC4CC(CC(C4)C2)C3)[nH+]cnc1-n1cnc2ccccc21 ZINC000040755907 205080270 /nfs/dbraw/zinc/08/02/70/205080270.db2.gz SCZQOUHXBGBQDY-UHFFFAOYSA-N 1 2 360.465 3.778 10 0 FHAELO COc1ccc(OC)c(Nc2nc[nH+]c(N(CC(C)C)CC(C)C)c2N)c1 ZINC000040735537 205078301 /nfs/dbraw/zinc/07/83/01/205078301.db2.gz ZBCVLUTYTSAQCK-UHFFFAOYSA-N 1 2 373.501 3.938 10 0 FHAELO Nc1c(Nc2ccc(Br)cc2)[nH+]cnc1N1CCCCCC1 ZINC000040725521 205078437 /nfs/dbraw/zinc/07/84/37/205078437.db2.gz BEMGBLZYVFDTRP-UHFFFAOYSA-N 1 2 362.275 3.945 10 0 FHAELO Nc1c(Nc2ccc(Br)cc2)nc[nH+]c1N1CCCCCC1 ZINC000040725521 205078438 /nfs/dbraw/zinc/07/84/38/205078438.db2.gz BEMGBLZYVFDTRP-UHFFFAOYSA-N 1 2 362.275 3.945 10 0 FHAELO CCNc1ccc(COc2ccccc2I)c[nH+]1 ZINC000050833108 205180038 /nfs/dbraw/zinc/18/00/38/205180038.db2.gz PTOJGKONMWTCKW-UHFFFAOYSA-N 1 2 354.191 3.697 10 0 FHAELO CCn1ncc(C[N@H+](C)Cc2cnc3c(-c4ccccc4)cnn3c2)c1C ZINC000067785778 205390264 /nfs/dbraw/zinc/39/02/64/205390264.db2.gz RRPSCYBDGTYZEL-UHFFFAOYSA-N 1 2 360.465 3.553 10 0 FHAELO CCn1ncc(C[N@@H+](C)Cc2cnc3c(-c4ccccc4)cnn3c2)c1C ZINC000067785778 205390267 /nfs/dbraw/zinc/39/02/67/205390267.db2.gz RRPSCYBDGTYZEL-UHFFFAOYSA-N 1 2 360.465 3.553 10 0 FHAELO C[C@H](Cc1cc(-c2ccn3cc[nH+]c3c2)ccn1)NC(=O)OC(C)(C)C ZINC000089201431 524688393 /nfs/dbraw/zinc/68/83/93/524688393.db2.gz KOCLILFBNZINMP-CQSZACIVSA-N 1 2 352.438 3.852 10 0 FHAELO COc1ccc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000226255287 536775896 /nfs/dbraw/zinc/77/58/96/536775896.db2.gz SCZVVPWTVMRJPK-AWEZNQCLSA-N 1 2 369.465 3.917 10 0 FHAELO COc1ccc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000226255287 536775900 /nfs/dbraw/zinc/77/59/00/536775900.db2.gz SCZVVPWTVMRJPK-AWEZNQCLSA-N 1 2 369.465 3.917 10 0 FHAELO COc1ccc(F)c(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1OC ZINC000188520644 567856066 /nfs/dbraw/zinc/85/60/66/567856066.db2.gz ZMEOFVXTDYLQAV-ZDUSSCGKSA-N 1 2 369.396 3.520 10 0 FHAELO COC(=O)c1ccc(-c2[nH]c3cc(C)c(N)c(Br)c3[nH+]2)cc1 ZINC000078400740 571215804 /nfs/dbraw/zinc/21/58/04/571215804.db2.gz VOSYBCFJEUMHQC-UHFFFAOYSA-N 1 2 360.211 3.670 10 0 FHAELO Nc1c(NCc2ccco2)nc[nH+]c1Nc1ccc(Br)cc1 ZINC000040761287 205082013 /nfs/dbraw/zinc/08/20/13/205082013.db2.gz ZWOAZNROUSVQPA-UHFFFAOYSA-N 1 2 360.215 3.770 10 0 FHAELO Nc1c(Nc2ccc(Br)cc2)nc[nH+]c1NCc1ccco1 ZINC000040761287 205082015 /nfs/dbraw/zinc/08/20/15/205082015.db2.gz ZWOAZNROUSVQPA-UHFFFAOYSA-N 1 2 360.215 3.770 10 0 FHAELO CCNc1cc(COc2ccc(I)cc2)cc[nH+]1 ZINC000052755326 205187509 /nfs/dbraw/zinc/18/75/09/205187509.db2.gz HVSLQHMQWWBLAC-UHFFFAOYSA-N 1 2 354.191 3.697 10 0 FHAELO COc1ccc2c(c1)O[C@@H](C)C[N@@H+](Cc1cc3c(cc1Cl)OCO3)C2 ZINC000055306790 205214622 /nfs/dbraw/zinc/21/46/22/205214622.db2.gz CVIFOKRNCVEFRF-LBPRGKRZSA-N 1 2 361.825 3.860 10 0 FHAELO COc1ccc2c(c1)O[C@@H](C)C[N@H+](Cc1cc3c(cc1Cl)OCO3)C2 ZINC000055306790 205214626 /nfs/dbraw/zinc/21/46/26/205214626.db2.gz CVIFOKRNCVEFRF-LBPRGKRZSA-N 1 2 361.825 3.860 10 0 FHAELO CN(Cc1c[nH+]c2ccccn12)C(=O)Nc1nc(-c2ccccc2)ns1 ZINC000055326152 205214794 /nfs/dbraw/zinc/21/47/94/205214794.db2.gz UYNVTWLESHVZTB-UHFFFAOYSA-N 1 2 364.434 3.517 10 0 FHAELO Cc1cccc(C)c1NC(=O)c1cccc(C[N@@H+](C)Cc2cnccn2)c1 ZINC000065406692 205348729 /nfs/dbraw/zinc/34/87/29/205348729.db2.gz PEZPHASENOLPAH-UHFFFAOYSA-N 1 2 360.461 3.978 10 0 FHAELO Cc1cccc(C)c1NC(=O)c1cccc(C[N@H+](C)Cc2cnccn2)c1 ZINC000065406692 205348734 /nfs/dbraw/zinc/34/87/34/205348734.db2.gz PEZPHASENOLPAH-UHFFFAOYSA-N 1 2 360.461 3.978 10 0 FHAELO Cc1ccccc1OCC(=O)Nc1cc(N)ccc1[NH+]1CCC(C)CC1 ZINC000226253307 132249968 /nfs/dbraw/zinc/24/99/68/132249968.db2.gz OIOPBHWYWLVIBO-UHFFFAOYSA-N 1 2 353.466 3.831 10 0 FHAELO CCc1cccc(NC(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)c1 ZINC000224144755 132281772 /nfs/dbraw/zinc/28/17/72/132281772.db2.gz LWPFINTWOOAXEB-UHFFFAOYSA-N 1 2 368.485 3.739 10 0 FHAELO CO[C@@H](C)c1nc(CN2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)cs1 ZINC000275589342 523468826 /nfs/dbraw/zinc/46/88/26/523468826.db2.gz GBJAZPPMBHMRTM-GUYCJALGSA-N 1 2 360.527 3.800 10 0 FHAELO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3c(n2C)CCCC3)cc1OC ZINC000275540098 524028959 /nfs/dbraw/zinc/02/89/59/524028959.db2.gz MPEUAKDSSHJPOF-GOSISDBHSA-N 1 2 355.482 3.653 10 0 FHAELO COc1ccc(C[N@H+]2CCC[C@@H]2c2nc3c(n2C)CCCC3)cc1OC ZINC000275540098 524028961 /nfs/dbraw/zinc/02/89/61/524028961.db2.gz MPEUAKDSSHJPOF-GOSISDBHSA-N 1 2 355.482 3.653 10 0 FHAELO Cc1c([C@H]2C[C@@H]2c2nc3c(C)ncc(C)n3n2)[nH+]c2c3cccnc3ccn12 ZINC000210248732 571143890 /nfs/dbraw/zinc/14/38/90/571143890.db2.gz ZLHNYULRKIEGAY-HOTGVXAUSA-N 1 2 369.432 3.517 10 0 FHAELO Nc1cc[nH+]c(-c2nc(-c3cc(Cl)ccc3F)nc3nccnc32)c1 ZINC000071619062 571158828 /nfs/dbraw/zinc/15/88/28/571158828.db2.gz CMJVDHCUKXXBFF-UHFFFAOYSA-N 1 2 352.760 3.524 10 0 FHAELO Cc1cc2[nH+]c(CCO)n(Cc3ccc(Br)cc3)c2cc1C ZINC000040310688 205066357 /nfs/dbraw/zinc/06/63/57/205066357.db2.gz GWHXTKBCMGCWJM-UHFFFAOYSA-N 1 2 359.267 3.999 10 0 FHAELO CC(=O)Nc1ccc(Nc2[nH+]cnc(N(CC(C)C)CC(C)C)c2N)cc1 ZINC000040735849 205079088 /nfs/dbraw/zinc/07/90/88/205079088.db2.gz UZDUOPHPEOFQLP-UHFFFAOYSA-N 1 2 370.501 3.879 10 0 FHAELO CC(=O)Nc1ccc(Nc2nc[nH+]c(N(CC(C)C)CC(C)C)c2N)cc1 ZINC000040735849 205079092 /nfs/dbraw/zinc/07/90/92/205079092.db2.gz UZDUOPHPEOFQLP-UHFFFAOYSA-N 1 2 370.501 3.879 10 0 FHAELO Nc1c(Nc2ccccc2Br)nc[nH+]c1NCc1ccco1 ZINC000040761273 205079841 /nfs/dbraw/zinc/07/98/41/205079841.db2.gz YAQBBCFEYRAWSI-UHFFFAOYSA-N 1 2 360.215 3.770 10 0 FHAELO Nc1c(Nc2cc(C(F)(F)F)ccc2Cl)ncnc1-n1cc[nH+]c1 ZINC000040682883 205075865 /nfs/dbraw/zinc/07/58/65/205075865.db2.gz IKIZKMJQUBYPQF-UHFFFAOYSA-N 1 2 354.723 3.660 10 0 FHAELO Fc1cccc(-c2noc3c2C[N@H+](Cc2cccc4c2OCO4)CC3)c1 ZINC000020535646 206334316 /nfs/dbraw/zinc/33/43/16/206334316.db2.gz YSURITMVCTUQQJ-UHFFFAOYSA-N 1 2 352.365 3.768 10 0 FHAELO Fc1cccc(-c2noc3c2C[N@@H+](Cc2cccc4c2OCO4)CC3)c1 ZINC000020535646 206334319 /nfs/dbraw/zinc/33/43/19/206334319.db2.gz YSURITMVCTUQQJ-UHFFFAOYSA-N 1 2 352.365 3.768 10 0 FHAELO COc1ccc(C(=O)Nc2cc([NH+]3CCCCC3)c(C)cc2N)cc1OC ZINC000226331365 536776148 /nfs/dbraw/zinc/77/61/48/536776148.db2.gz MGVMSFIJUKPFMI-UHFFFAOYSA-N 1 2 369.465 3.837 10 0 FHAELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000186345704 567901269 /nfs/dbraw/zinc/90/12/69/567901269.db2.gz VTVQYXIUYXIGBE-QGZVFWFLSA-N 1 2 363.255 3.525 10 0 FHAELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000186345704 567901270 /nfs/dbraw/zinc/90/12/70/567901270.db2.gz VTVQYXIUYXIGBE-QGZVFWFLSA-N 1 2 363.255 3.525 10 0 FHAELO C[C@H](C[NH2+]Cc1nnc(COc2ccccc2)[nH]1)c1cccc(Cl)c1 ZINC000188550781 567924022 /nfs/dbraw/zinc/92/40/22/567924022.db2.gz XNQCWQDSIOCGLA-CQSZACIVSA-N 1 2 356.857 3.930 10 0 FHAELO C[C@@H](C[NH2+]Cc1nnc(COc2ccccc2)[nH]1)c1cccc(Cl)c1 ZINC000188550762 567924027 /nfs/dbraw/zinc/92/40/27/567924027.db2.gz XNQCWQDSIOCGLA-AWEZNQCLSA-N 1 2 356.857 3.930 10 0 FHAELO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1ccc(Cl)o1)CC2 ZINC000275780338 570725599 /nfs/dbraw/zinc/72/55/99/570725599.db2.gz SVVWICPQYADZKO-ZDUSSCGKSA-N 1 2 365.886 3.516 10 0 FHAELO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)c1ccc(Cl)o1)CC2 ZINC000275780338 570725602 /nfs/dbraw/zinc/72/56/02/570725602.db2.gz SVVWICPQYADZKO-ZDUSSCGKSA-N 1 2 365.886 3.516 10 0 FHAELO Cc1nn(C)c2nc[nH+]c(N[C@H](c3cccnc3)c3cc(C)ccc3C)c12 ZINC000072425869 571194267 /nfs/dbraw/zinc/19/42/67/571194267.db2.gz UOAAEAFFXUAMKR-LJQANCHMSA-N 1 2 358.449 3.885 10 0 FHAELO Cc1cccc(C(=O)N2CC[NH+]=C2N2CCC(Cc3ccccc3)CC2)c1 ZINC000065306488 205335027 /nfs/dbraw/zinc/33/50/27/205335027.db2.gz XTGHCXDXDXXXDD-UHFFFAOYSA-N 1 2 361.489 3.762 10 0 FHAELO CCc1c(Cn2ccnc2-c2ncccc2F)[nH+]c2ccc(Cl)cn21 ZINC000201501008 206335030 /nfs/dbraw/zinc/33/50/30/206335030.db2.gz JQAMUEROHPXVFV-UHFFFAOYSA-N 1 2 355.804 3.996 10 0 FHAELO CCc1ccccc1NC(=O)Nc1c[nH+]c(N2CCCCC2)nc1N(C)C ZINC000224145237 535957874 /nfs/dbraw/zinc/95/78/74/535957874.db2.gz SUCYULSEEOQWJK-UHFFFAOYSA-N 1 2 368.485 3.739 10 0 FHAELO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccc(Cl)o1)CC2 ZINC000275780333 570725778 /nfs/dbraw/zinc/72/57/78/570725778.db2.gz SVVWICPQYADZKO-CYBMUJFWSA-N 1 2 365.886 3.516 10 0 FHAELO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccc(Cl)o1)CC2 ZINC000275780333 570725781 /nfs/dbraw/zinc/72/57/81/570725781.db2.gz SVVWICPQYADZKO-CYBMUJFWSA-N 1 2 365.886 3.516 10 0 FHAELO Brc1ccc(C[NH2+]Cc2sncc2Br)o1 ZINC000667390901 571151500 /nfs/dbraw/zinc/15/15/00/571151500.db2.gz NMYMACJMOVABBD-UHFFFAOYSA-N 1 2 352.051 3.551 10 0 FHAELO CN(C)c1nc(N(C)C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c[nH+]1 ZINC000224349386 571202104 /nfs/dbraw/zinc/20/21/04/571202104.db2.gz PVWCDESCZCGCGT-UHFFFAOYSA-N 1 2 361.449 3.528 10 0 FHAELO O=C1NCC[N@H+](Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000072204025 205031673 /nfs/dbraw/zinc/03/16/73/205031673.db2.gz MFSDOUNKPCRVCD-QHCPKHFHSA-N 1 2 372.468 3.939 10 0 FHAELO O=C1NCC[N@@H+](Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000072204025 205031678 /nfs/dbraw/zinc/03/16/78/205031678.db2.gz MFSDOUNKPCRVCD-QHCPKHFHSA-N 1 2 372.468 3.939 10 0 FHAELO CCc1[nH+]c(C)cn1-c1ccc(CNC(=O)c2ccc(Cl)nc2)cc1 ZINC000064611113 205301214 /nfs/dbraw/zinc/30/12/14/205301214.db2.gz FHOZYWJEYLIWMY-UHFFFAOYSA-N 1 2 354.841 3.722 10 0 FHAELO C[C@@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000034684631 136117974 /nfs/dbraw/zinc/11/79/74/136117974.db2.gz BPACPERUHMQIIC-AWEZNQCLSA-N 1 2 361.848 3.628 10 0 FHAELO Nc1c(N2CCC(Cc3ccccc3)CC2)nc[nH+]c1N1CCCCC1 ZINC000040724639 136120182 /nfs/dbraw/zinc/12/01/82/136120182.db2.gz AWDBCDOIYGPUEU-UHFFFAOYSA-N 1 2 351.498 3.508 10 0 FHAELO Nc1c(N2CCCCC2)nc[nH+]c1N1CCC(Cc2ccccc2)CC1 ZINC000040724639 136120183 /nfs/dbraw/zinc/12/01/83/136120183.db2.gz AWDBCDOIYGPUEU-UHFFFAOYSA-N 1 2 351.498 3.508 10 0 FHAELO Cc1ccc(Nc2[nH+]cnc(N3CCN(c4ccccc4)CC3)c2N)c(C)c1 ZINC000040726953 136120296 /nfs/dbraw/zinc/12/02/96/136120296.db2.gz LFCWMISHXRLIPU-UHFFFAOYSA-N 1 2 374.492 3.746 10 0 FHAELO CC1CC[NH+](CC(=O)N2c3ccccc3S(=O)c3ccccc32)CC1 ZINC000072470922 136149035 /nfs/dbraw/zinc/14/90/35/136149035.db2.gz QHWKNCQFJOVONE-UHFFFAOYSA-N 1 2 354.475 3.563 10 0 FHAELO O=C1NCC[N@H+](Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000072204026 205031817 /nfs/dbraw/zinc/03/18/17/205031817.db2.gz MFSDOUNKPCRVCD-HSZRJFAPSA-N 1 2 372.468 3.939 10 0 FHAELO O=C1NCC[N@@H+](Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000072204026 205031822 /nfs/dbraw/zinc/03/18/22/205031822.db2.gz MFSDOUNKPCRVCD-HSZRJFAPSA-N 1 2 372.468 3.939 10 0 FHAELO Nc1c(NC2CCCCCC2)nc[nH+]c1Nc1ccc2c(c1)OCCO2 ZINC000040777618 205081491 /nfs/dbraw/zinc/08/14/91/205081491.db2.gz WDSOJSDSFLCZCC-UHFFFAOYSA-N 1 2 355.442 3.708 10 0 FHAELO Nc1c(Nc2ccc3c(c2)OCCO3)nc[nH+]c1NC1CCCCCC1 ZINC000040777618 205081495 /nfs/dbraw/zinc/08/14/95/205081495.db2.gz WDSOJSDSFLCZCC-UHFFFAOYSA-N 1 2 355.442 3.708 10 0 FHAELO O[C@@H](Cc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000055088231 205206540 /nfs/dbraw/zinc/20/65/40/205206540.db2.gz KMHHDZVKDAYKHJ-QFIPXVFZSA-N 1 2 360.457 3.752 10 0 FHAELO O[C@@H](Cc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1ccccn1)CCO2 ZINC000055088231 205206544 /nfs/dbraw/zinc/20/65/44/205206544.db2.gz KMHHDZVKDAYKHJ-QFIPXVFZSA-N 1 2 360.457 3.752 10 0 FHAELO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)C(Cl)(Cl)Cl ZINC000226253731 132250060 /nfs/dbraw/zinc/25/00/60/132250060.db2.gz SQHSMSRNABIPCV-VIFPVBQESA-N 1 2 350.677 3.956 10 0 FHAELO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)C(Cl)(Cl)Cl ZINC000226253731 132250061 /nfs/dbraw/zinc/25/00/61/132250061.db2.gz SQHSMSRNABIPCV-VIFPVBQESA-N 1 2 350.677 3.956 10 0 FHAELO CC1CCN(c2nc(Cl)c3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000057345926 132376459 /nfs/dbraw/zinc/37/64/59/132376459.db2.gz NEMJYWPBTNPXSG-UHFFFAOYSA-N 1 2 356.901 3.925 10 0 FHAELO CC1CCN(c2nc(Cl)c3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC000057345926 132376460 /nfs/dbraw/zinc/37/64/60/132376460.db2.gz NEMJYWPBTNPXSG-UHFFFAOYSA-N 1 2 356.901 3.925 10 0 FHAELO Cc1cccc(N2CC[NH+](CC(=O)Nc3cccc(Cl)c3)CC2)c1C ZINC000068835143 136137828 /nfs/dbraw/zinc/13/78/28/136137828.db2.gz IFTGAKDHUJZYJT-UHFFFAOYSA-N 1 2 357.885 3.718 10 0 FHAELO Cc1cc(N[C@H](c2nc(C(C)C)no2)C2CCOCC2)nc(C2CC2)[nH+]1 ZINC000275463144 525303434 /nfs/dbraw/zinc/30/34/34/525303434.db2.gz UGKNXKXINQKYEC-INIZCTEOSA-N 1 2 357.458 3.749 10 0 FHAELO COCCCNC(=O)c1ccc(-c2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000065178203 536586561 /nfs/dbraw/zinc/58/65/61/536586561.db2.gz CGPSZIJBXCBVBN-UHFFFAOYSA-N 1 2 353.466 3.505 10 0 FHAELO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)C1=CCCCCC1)CC2 ZINC000275867647 570729317 /nfs/dbraw/zinc/72/93/17/570729317.db2.gz ZROJYWAHVWXIST-KRWDZBQOSA-N 1 2 359.539 3.847 10 0 FHAELO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)C1=CCCCCC1)CC2 ZINC000275867647 570729319 /nfs/dbraw/zinc/72/93/19/570729319.db2.gz ZROJYWAHVWXIST-KRWDZBQOSA-N 1 2 359.539 3.847 10 0 FHAELO c1sc([C@H]2CCCO2)nc1CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000328628414 571325021 /nfs/dbraw/zinc/32/50/21/571325021.db2.gz HFDAPXQMPNRHQC-IAGOWNOFSA-N 1 2 358.511 3.934 10 0 FHAELO Cn1c2c([nH+]c1[C@@H]1CCCN1Cc1nc3cc(F)ccc3o1)CCCC2 ZINC000328655410 571326200 /nfs/dbraw/zinc/32/62/00/571326200.db2.gz YJIWGUQLMHGIGA-KRWDZBQOSA-N 1 2 354.429 3.916 10 0 FHAELO O=C(c1ccco1)N(Cc1[nH+]ccn1Cc1ccc(F)c(F)c1)CC1CC1 ZINC000006723953 204263367 /nfs/dbraw/zinc/26/33/67/204263367.db2.gz UVYLAXVMSHQUSK-UHFFFAOYSA-N 1 2 371.387 3.855 10 0 FHAELO COCCCNc1[nH+]cnc(NN(c2ccccc2)c2ccccc2)c1N ZINC000040757131 205080057 /nfs/dbraw/zinc/08/00/57/205080057.db2.gz OATAFCCLVOMFOH-UHFFFAOYSA-N 1 2 364.453 3.672 10 0 FHAELO C[C@H]1CCCN(C(=O)c2cc3c(n2C)CC[N@H+](Cc2ccc(F)cc2)C3)C1 ZINC000065211068 205323977 /nfs/dbraw/zinc/32/39/77/205323977.db2.gz UNIYSHWDRLJEGH-INIZCTEOSA-N 1 2 369.484 3.595 10 0 FHAELO 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C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)C(Cl)(Cl)Cl ZINC000226253720 132249807 /nfs/dbraw/zinc/24/98/07/132249807.db2.gz SQHSMSRNABIPCV-SECBINFHSA-N 1 2 350.677 3.956 10 0 FHAELO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)C(Cl)(Cl)Cl ZINC000226253720 132249811 /nfs/dbraw/zinc/24/98/11/132249811.db2.gz SQHSMSRNABIPCV-SECBINFHSA-N 1 2 350.677 3.956 10 0 FHAELO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)Nc1ccccc1Cl ZINC000224145665 132281780 /nfs/dbraw/zinc/28/17/80/132281780.db2.gz HJUSJWQMLOTVGQ-UHFFFAOYSA-N 1 2 374.876 3.830 10 0 FHAELO CCc1ccc(Nc2[nH+]cnc(N3CCN(c4ccccc4)CC3)c2N)cc1 ZINC000040688421 136119808 /nfs/dbraw/zinc/11/98/08/136119808.db2.gz UUVJYDNJQSBQOB-UHFFFAOYSA-N 1 2 374.492 3.691 10 0 FHAELO C[C@@H](Cc1cc(-c2ccn3cc[nH+]c3c2)ccn1)NC(=O)OC(C)(C)C ZINC000089201429 524886181 /nfs/dbraw/zinc/88/61/81/524886181.db2.gz KOCLILFBNZINMP-AWEZNQCLSA-N 1 2 352.438 3.852 10 0 FHAELO Cc1ccc(-c2[nH]c(CNc3nc(N)c(C)c[nH+]3)nc2-c2ccccn2)cc1 ZINC000067692557 571054872 /nfs/dbraw/zinc/05/48/72/571054872.db2.gz 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C[N@@H+](CC(=O)c1cccs1)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095075045 209018336 /nfs/dbraw/zinc/01/83/36/209018336.db2.gz XJXDHPKIFOYUAW-CQSZACIVSA-N 1 2 352.500 3.652 10 0 FHAELO C[N@H+](CC(=O)c1cccs1)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095075045 209018338 /nfs/dbraw/zinc/01/83/38/209018338.db2.gz XJXDHPKIFOYUAW-CQSZACIVSA-N 1 2 352.500 3.652 10 0 FHAELO CC1CC[NH+](c2ccc(N)cc2NC(=O)C(Cl)(Cl)Cl)CC1 ZINC000226253744 132249996 /nfs/dbraw/zinc/24/99/96/132249996.db2.gz YFCVAIYHSPRFLU-UHFFFAOYSA-N 1 2 350.677 3.814 10 0 FHAELO Cc1cc(C[N@@H+]2CCc3n[nH]c(COc4ccccc4)c3C2)ccc1F ZINC000020515068 524711071 /nfs/dbraw/zinc/71/10/71/524711071.db2.gz CIQDDWCVCOQYST-UHFFFAOYSA-N 1 2 351.425 3.995 10 0 FHAELO Cc1cc(C[N@H+]2CCc3n[nH]c(COc4ccccc4)c3C2)ccc1F ZINC000020515068 524711082 /nfs/dbraw/zinc/71/10/82/524711082.db2.gz CIQDDWCVCOQYST-UHFFFAOYSA-N 1 2 351.425 3.995 10 0 FHAELO COc1ccc([C@@H](C)NC(=O)c2cc3c(s2)C[N@@H+](C2CC2)C3)cc1OC ZINC000065238904 570823896 /nfs/dbraw/zinc/82/38/96/570823896.db2.gz QFULAWZACSOLEV-GFCCVEGCSA-N 1 2 372.490 3.734 10 0 FHAELO COc1ccc([C@@H](C)NC(=O)c2cc3c(s2)C[N@H+](C2CC2)C3)cc1OC ZINC000065238904 570823898 /nfs/dbraw/zinc/82/38/98/570823898.db2.gz QFULAWZACSOLEV-GFCCVEGCSA-N 1 2 372.490 3.734 10 0 FHAELO Cn1c2c([nH+]c1[C@H]1CCCN1Cc1nc3c(cccc3F)[nH]1)CCCC2 ZINC000328627621 571324872 /nfs/dbraw/zinc/32/48/72/571324872.db2.gz GITRNACLMSYJRQ-QGZVFWFLSA-N 1 2 353.445 3.651 10 0 FHAELO O=C(N[C@H]1CCCc2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000107834455 209280310 /nfs/dbraw/zinc/28/03/10/209280310.db2.gz PHUKXICKEYGDSZ-IBGZPJMESA-N 1 2 355.507 3.653 10 0 FHAELO COc1cc(C[N@H+]2Cc3cc(Cl)ccc3O[C@@H](C)C2)cc(OC)c1O ZINC000012453809 207379245 /nfs/dbraw/zinc/37/92/45/207379245.db2.gz ITENTAQNLYUOAT-LBPRGKRZSA-N 1 2 363.841 3.846 10 0 FHAELO COc1cc(C[N@@H+]2Cc3cc(Cl)ccc3O[C@@H](C)C2)cc(OC)c1O ZINC000012453809 207379250 /nfs/dbraw/zinc/37/92/50/207379250.db2.gz ITENTAQNLYUOAT-LBPRGKRZSA-N 1 2 363.841 3.846 10 0 FHAELO CCCC(=O)NCCCCCc1[nH+]c2ccccc2n1CC(=O)OC(C)C ZINC000040211376 208243473 /nfs/dbraw/zinc/24/34/73/208243473.db2.gz HZXGKGQEZRDYKD-UHFFFAOYSA-N 1 2 373.497 3.617 10 0 FHAELO O=C(c1noc2c1CCCC2)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095359499 209027275 /nfs/dbraw/zinc/02/72/75/209027275.db2.gz FZMXJCAKBSLYBF-MRXNPFEDSA-N 1 2 368.481 3.570 10 0 FHAELO c1nc2sc3c(c2c(Nc2ccc(N4CCOCC4)[nH+]c2)n1)CCCC3 ZINC000010643175 132373708 /nfs/dbraw/zinc/37/37/08/132373708.db2.gz XRTMCZYOMFVLDD-UHFFFAOYSA-N 1 2 367.478 3.545 10 0 FHAELO CC1CCN(c2[nH+]cnc(N3CCC(Cc4ccccc4)CC3)c2N)CC1 ZINC000040729106 136120335 /nfs/dbraw/zinc/12/03/35/136120335.db2.gz HNLOBDIJVMKDKX-UHFFFAOYSA-N 1 2 365.525 3.754 10 0 FHAELO CC1CCN(c2nc[nH+]c(N3CCC(Cc4ccccc4)CC3)c2N)CC1 ZINC000040729106 136120336 /nfs/dbraw/zinc/12/03/36/136120336.db2.gz HNLOBDIJVMKDKX-UHFFFAOYSA-N 1 2 365.525 3.754 10 0 FHAELO Cc1cccc(N2CC[NH+](CC(=O)Nc3ccc(Cl)cc3)CC2)c1C ZINC000068835168 136137816 /nfs/dbraw/zinc/13/78/16/136137816.db2.gz JYRJECYNXCQUDB-UHFFFAOYSA-N 1 2 357.885 3.718 10 0 FHAELO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)Nc1ccsc1)CC2 ZINC000276119415 523605395 /nfs/dbraw/zinc/60/53/95/523605395.db2.gz XOIIZBGJPRROLQ-CQSZACIVSA-N 1 2 362.524 3.723 10 0 FHAELO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)Nc1ccsc1)CC2 ZINC000276119415 523605402 /nfs/dbraw/zinc/60/54/02/523605402.db2.gz XOIIZBGJPRROLQ-CQSZACIVSA-N 1 2 362.524 3.723 10 0 FHAELO CCCCNC1=C2C(=O)N(c3cccc(F)c3)N=C2c2ccccc2[NH2+]1 ZINC000583645993 571179581 /nfs/dbraw/zinc/17/95/81/571179581.db2.gz FJRYQRBEISYVBB-UHFFFAOYSA-N 1 2 350.397 3.640 10 0 FHAELO CCOC(=O)c1sc2ncnc(Nc3ccc([NH+](C)C)cc3)c2c1C ZINC000012084630 207337236 /nfs/dbraw/zinc/33/72/36/207337236.db2.gz IBDSKDHZVIPUEH-UHFFFAOYSA-N 1 2 356.451 3.986 10 0 FHAELO COc1ccc(CCn2c3cc(Cl)ccc3[nH+]c2CCCO)cc1OC ZINC000040406927 208252043 /nfs/dbraw/zinc/25/20/43/208252043.db2.gz BLFMDXUIZTYZIL-UHFFFAOYSA-N 1 2 374.868 3.875 10 0 FHAELO Nc1c(NCc2ccco2)nc[nH+]c1Nc1cccc(Br)c1 ZINC000040761389 208268774 /nfs/dbraw/zinc/26/87/74/208268774.db2.gz OVCOKJXKMYTOHW-UHFFFAOYSA-N 1 2 360.215 3.770 10 0 FHAELO Nc1c(Nc2cccc(Br)c2)nc[nH+]c1NCc1ccco1 ZINC000040761389 208268778 /nfs/dbraw/zinc/26/87/78/208268778.db2.gz OVCOKJXKMYTOHW-UHFFFAOYSA-N 1 2 360.215 3.770 10 0 FHAELO O[C@@H]1CCCN(c2[nH+]c3ccccc3n2Cc2c(F)cccc2Cl)C1 ZINC000095078242 209018852 /nfs/dbraw/zinc/01/88/52/209018852.db2.gz RKKKAQCKUAQBTG-CYBMUJFWSA-N 1 2 359.832 3.838 10 0 FHAELO Cc1ccccc1OCC(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@H]1C ZINC000226253339 132249954 /nfs/dbraw/zinc/24/99/54/132249954.db2.gz GTMCZCAAHQUTQM-MRXNPFEDSA-N 1 2 353.466 3.974 10 0 FHAELO Cc1ccccc1OCC(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@H]1C ZINC000226253339 132249957 /nfs/dbraw/zinc/24/99/57/132249957.db2.gz GTMCZCAAHQUTQM-MRXNPFEDSA-N 1 2 353.466 3.974 10 0 FHAELO Cc1cccc(OCC(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@H]2C)c1 ZINC000226253357 132250108 /nfs/dbraw/zinc/25/01/08/132250108.db2.gz GMXGFOGELMRJAM-MRXNPFEDSA-N 1 2 353.466 3.974 10 0 FHAELO Cc1cccc(OCC(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@H]2C)c1 ZINC000226253357 132250109 /nfs/dbraw/zinc/25/01/09/132250109.db2.gz GMXGFOGELMRJAM-MRXNPFEDSA-N 1 2 353.466 3.974 10 0 FHAELO COc1ccc2oc(C[NH2+]Cc3ccc(Sc4ncccn4)o3)nc2c1 ZINC000055133642 571117041 /nfs/dbraw/zinc/11/70/41/571117041.db2.gz ZJOSRDLFIMGBPP-UHFFFAOYSA-N 1 2 368.418 3.660 10 0 FHAELO Clc1ccccc1Cn1c2ccccc2nc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000071776933 571166794 /nfs/dbraw/zinc/16/67/94/571166794.db2.gz MYOIZQHCDJRGPG-IBGZPJMESA-N 1 2 363.852 3.696 10 0 FHAELO Cc1ccc(NC(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)cc1Cl ZINC000224141984 571193054 /nfs/dbraw/zinc/19/30/54/571193054.db2.gz ASPLFONUZULFSJ-UHFFFAOYSA-N 1 2 374.876 3.749 10 0 FHAELO CCc1cc(C)c(C(=O)N2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)o1 ZINC000328632515 571325347 /nfs/dbraw/zinc/32/53/47/571325347.db2.gz LJILMQHIZCNSAR-INIZCTEOSA-N 1 2 373.522 3.734 10 0 FHAELO CCc1cc(C)c(C(=O)N2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)o1 ZINC000328632515 571325348 /nfs/dbraw/zinc/32/53/48/571325348.db2.gz LJILMQHIZCNSAR-INIZCTEOSA-N 1 2 373.522 3.734 10 0 FHAELO O[C@H](c1cccs1)C1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000011773574 207322459 /nfs/dbraw/zinc/32/24/59/207322459.db2.gz QBBISFGMSHXWGU-INIZCTEOSA-N 1 2 361.492 3.805 10 0 FHAELO Brc1ccc(C[NH2+]Cc2nc(Cc3ccccc3)no2)s1 ZINC000038018740 207811396 /nfs/dbraw/zinc/81/13/96/207811396.db2.gz YAQZXQIFOWNACV-UHFFFAOYSA-N 1 2 364.268 3.774 10 0 FHAELO Nc1c(Nc2ccc(Br)cn2)nc[nH+]c1NC1CCCCC1 ZINC000040708559 208263259 /nfs/dbraw/zinc/26/32/59/208263259.db2.gz JBMYGODQZRPDBX-UHFFFAOYSA-N 1 2 363.263 3.705 10 0 FHAELO Cc1ccc(Nc2nc[nH+]c(NC34CC5CC(CC(C5)C3)C4)c2N)nc1 ZINC000040755823 208267592 /nfs/dbraw/zinc/26/75/92/208267592.db2.gz BTMYRPXMYLEZMN-UHFFFAOYSA-N 1 2 350.470 3.887 10 0 FHAELO Nc1c(NCc2ccc(Cl)cc2)[nH+]cnc1-n1cnc2ccccc21 ZINC000040784102 208271041 /nfs/dbraw/zinc/27/10/41/208271041.db2.gz HNUKSEDGBJTAER-UHFFFAOYSA-N 1 2 350.813 3.663 10 0 FHAELO Fc1cccc(-c2nc3c(c(NC4CC4)n2)CN(c2cccc[nH+]2)CC3)c1 ZINC000096083703 132218853 /nfs/dbraw/zinc/21/88/53/132218853.db2.gz FFVSINQVTMHJSL-UHFFFAOYSA-N 1 2 361.424 3.815 10 0 FHAELO C[C@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000034684632 136117954 /nfs/dbraw/zinc/11/79/54/136117954.db2.gz BPACPERUHMQIIC-CQSZACIVSA-N 1 2 361.848 3.628 10 0 FHAELO COc1cccc(C[N@@H+]2CCC[C@@H]2c2nc3c(n2C)CCCC3)c1OC ZINC000275353346 525939115 /nfs/dbraw/zinc/93/91/15/525939115.db2.gz AFUIIYVTTCTNDD-GOSISDBHSA-N 1 2 355.482 3.653 10 0 FHAELO COc1cccc(C[N@H+]2CCC[C@@H]2c2nc3c(n2C)CCCC3)c1OC ZINC000275353346 525939128 /nfs/dbraw/zinc/93/91/28/525939128.db2.gz AFUIIYVTTCTNDD-GOSISDBHSA-N 1 2 355.482 3.653 10 0 FHAELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000186399254 567915811 /nfs/dbraw/zinc/91/58/11/567915811.db2.gz CWYFGLQLRHQHQG-LJQANCHMSA-N 1 2 359.857 3.633 10 0 FHAELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000186399254 567915812 /nfs/dbraw/zinc/91/58/12/567915812.db2.gz CWYFGLQLRHQHQG-LJQANCHMSA-N 1 2 359.857 3.633 10 0 FHAELO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC1(Cn2cc[nH+]c2)CC1 ZINC000065403748 571143089 /nfs/dbraw/zinc/14/30/89/571143089.db2.gz XNXLIFMJPLJPII-FQEVSTJZSA-N 1 2 367.493 3.516 10 0 FHAELO COc1ccc(F)c(F)c1C(=O)N1CCC[C@@H](c2[nH+]ccn2C(C)C)C1 ZINC000095390490 209045314 /nfs/dbraw/zinc/04/53/14/209045314.db2.gz JGJXPIZGEVXYRV-CYBMUJFWSA-N 1 2 363.408 3.771 10 0 FHAELO O=c1[nH]c(-c2ccc(Cl)cc2)c(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000026377290 132377908 /nfs/dbraw/zinc/37/79/08/132377908.db2.gz DXIGFCNFNIJASA-UHFFFAOYSA-N 1 2 369.852 3.611 10 0 FHAELO Nc1c(Nc2ccc(Br)cc2F)nc[nH+]c1N1CCCCC1 ZINC000040724886 136120162 /nfs/dbraw/zinc/12/01/62/136120162.db2.gz MYUPIBIWXPGMGB-UHFFFAOYSA-N 1 2 366.238 3.694 10 0 FHAELO c1sc([C@@H]2CCCO2)nc1CN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000328628415 571324978 /nfs/dbraw/zinc/32/49/78/571324978.db2.gz HFDAPXQMPNRHQC-IRXDYDNUSA-N 1 2 358.511 3.934 10 0 FHAELO CCN(C)C(=O)c1coc(C[N@H+](Cc2ccccc2F)[C@H](C)C(C)C)n1 ZINC000036065546 208144137 /nfs/dbraw/zinc/14/41/37/208144137.db2.gz OYAUFWHFBFAENZ-OAHLLOKOSA-N 1 2 361.461 3.952 10 0 FHAELO CCN(C)C(=O)c1coc(C[N@@H+](Cc2ccccc2F)[C@H](C)C(C)C)n1 ZINC000036065546 208144144 /nfs/dbraw/zinc/14/41/44/208144144.db2.gz OYAUFWHFBFAENZ-OAHLLOKOSA-N 1 2 361.461 3.952 10 0 FHAELO O=C([O-])c1ccc2c(c1)[nH+]c(C1CCCCC1)n2CCC[NH+]1CCOCC1 ZINC000040405932 208252066 /nfs/dbraw/zinc/25/20/66/208252066.db2.gz DVBQJTTWTYAGIF-UHFFFAOYSA-N 1 2 371.481 3.505 10 0 FHAELO COC(=O)c1ccc(Nc2nc[nH+]c(N(CC(C)C)CC(C)C)c2N)cc1 ZINC000040735691 208265217 /nfs/dbraw/zinc/26/52/17/208265217.db2.gz OQOAUVQOORQYRJ-UHFFFAOYSA-N 1 2 371.485 3.707 10 0 FHAELO O[C@@H]1CCN(c2[nH+]c3ccccc3n2Cc2cc(Cl)ccc2Cl)C1 ZINC000095077697 209019004 /nfs/dbraw/zinc/01/90/04/209019004.db2.gz SKYIFVNXBHCFKR-CQSZACIVSA-N 1 2 362.260 3.962 10 0 FHAELO Cc1ccc(NC(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)c(C)c1 ZINC000224145504 132281664 /nfs/dbraw/zinc/28/16/64/132281664.db2.gz LEHBREYAFBTGNW-UHFFFAOYSA-N 1 2 368.485 3.794 10 0 FHAELO Cc1ccc(NC(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)cc1C ZINC000224144989 132281767 /nfs/dbraw/zinc/28/17/67/132281767.db2.gz KEWKWJXYGPLYPU-UHFFFAOYSA-N 1 2 368.485 3.794 10 0 FHAELO Nc1c(N2CCC(Cc3ccccc3)CC2)nc[nH+]c1N1CCCCCC1 ZINC000040725376 136120194 /nfs/dbraw/zinc/12/01/94/136120194.db2.gz YHISCHSGQIXKQE-UHFFFAOYSA-N 1 2 365.525 3.898 10 0 FHAELO Nc1c(N2CCCCCC2)nc[nH+]c1N1CCC(Cc2ccccc2)CC1 ZINC000040725376 136120195 /nfs/dbraw/zinc/12/01/95/136120195.db2.gz YHISCHSGQIXKQE-UHFFFAOYSA-N 1 2 365.525 3.898 10 0 FHAELO Fc1ccccc1[C@H]1CC[N@H+](Cc2nc(COc3ccccc3)no2)C1 ZINC000020452241 526418678 /nfs/dbraw/zinc/41/86/78/526418678.db2.gz FNRYHLSDYCKVBS-HNNXBMFYSA-N 1 2 353.397 3.777 10 0 FHAELO Fc1ccccc1[C@H]1CC[N@@H+](Cc2nc(COc3ccccc3)no2)C1 ZINC000020452241 526418681 /nfs/dbraw/zinc/41/86/81/526418681.db2.gz FNRYHLSDYCKVBS-HNNXBMFYSA-N 1 2 353.397 3.777 10 0 FHAELO CCOc1ccc(NC(=O)C[N@@H+]2CCN(c3ccc(C)cc3)[C@@H](C)C2)cc1 ZINC000014216329 570627718 /nfs/dbraw/zinc/62/77/18/570627718.db2.gz MZBLVBDYPLWFHB-SFHVURJKSA-N 1 2 367.493 3.543 10 0 FHAELO CCOc1ccc(NC(=O)C[N@H+]2CCN(c3ccc(C)cc3)[C@@H](C)C2)cc1 ZINC000014216329 570627720 /nfs/dbraw/zinc/62/77/20/570627720.db2.gz MZBLVBDYPLWFHB-SFHVURJKSA-N 1 2 367.493 3.543 10 0 FHAELO O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](Cc2cnoc2C2CC2)C1 ZINC000583615377 570809197 /nfs/dbraw/zinc/80/91/97/570809197.db2.gz CXZPSZZJAPBRFK-JKSUJKDBSA-N 1 2 352.356 3.879 10 0 FHAELO O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2cnoc2C2CC2)C1 ZINC000583615377 570809200 /nfs/dbraw/zinc/80/92/00/570809200.db2.gz CXZPSZZJAPBRFK-JKSUJKDBSA-N 1 2 352.356 3.879 10 0 FHAELO COc1cccc(-c2noc3c2CN(Cc2cn4cc(C)ccc4[nH+]2)CC3)c1 ZINC000067650497 571147587 /nfs/dbraw/zinc/14/75/87/571147587.db2.gz ZCNXYPWISOVTJO-UHFFFAOYSA-N 1 2 374.444 3.865 10 0 FHAELO COc1cccc(-c2noc3c2C[N@H+](Cc2cn4cc(C)ccc4n2)CC3)c1 ZINC000067650497 571147590 /nfs/dbraw/zinc/14/75/90/571147590.db2.gz ZCNXYPWISOVTJO-UHFFFAOYSA-N 1 2 374.444 3.865 10 0 FHAELO COc1cccc(-c2noc3c2C[N@@H+](Cc2cn4cc(C)ccc4n2)CC3)c1 ZINC000067650497 571147592 /nfs/dbraw/zinc/14/75/92/571147592.db2.gz ZCNXYPWISOVTJO-UHFFFAOYSA-N 1 2 374.444 3.865 10 0 FHAELO Cc1c(C(N)=O)cccc1-n1cc[nH+]c1-c1ccc(Oc2ncccn2)cc1 ZINC000077376601 571209484 /nfs/dbraw/zinc/20/94/84/571209484.db2.gz BAONFMJDWJNADQ-UHFFFAOYSA-N 1 2 371.400 3.529 10 0 FHAELO COc1cc2c(cc1OC)[C@H]1Cc3cc(OC)c(OC)cc3[C@@H](C2)[NH+]1C ZINC000026771534 210183921 /nfs/dbraw/zinc/18/39/21/210183921.db2.gz QEOWCPFWLCIQSL-IAGOWNOFSA-N 1 2 355.434 3.547 10 0 in-vitro FHAELO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000019286688 211212560 /nfs/dbraw/zinc/21/25/60/211212560.db2.gz VDKNVKORDUBLDT-LJQANCHMSA-N 1 2 359.433 3.585 10 0 FHAELO Ic1ccc(CNc2cccc(-n3cc[nH+]c3)c2)o1 ZINC000037275274 211091083 /nfs/dbraw/zinc/09/10/83/211091083.db2.gz WZVZYBHIDVSAKL-UHFFFAOYSA-N 1 2 365.174 3.682 10 0 FHAELO COc1c(C)c[nH+]c(CNc2cccc(I)c2)c1C ZINC000020479342 220328205 /nfs/dbraw/zinc/32/82/05/220328205.db2.gz LOFMFIQPKMMADZ-UHFFFAOYSA-N 1 2 368.218 3.924 10 0 FHAELO CCn1nc(C)c(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)c1C ZINC000065396551 221211297 /nfs/dbraw/zinc/21/12/97/221211297.db2.gz NAYZHRLUJSFXNT-OAHLLOKOSA-N 1 2 360.889 3.601 10 0 FHAELO CCn1nc(C)c(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)c1C ZINC000065396551 221211299 /nfs/dbraw/zinc/21/12/99/221211299.db2.gz NAYZHRLUJSFXNT-OAHLLOKOSA-N 1 2 360.889 3.601 10 0 FHAELO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)cc1C ZINC000226253012 132249932 /nfs/dbraw/zinc/24/99/32/132249932.db2.gz LYLGOSNYRDIPKK-UHFFFAOYSA-N 1 2 353.466 3.893 10 0 FHAELO CCc1ccc(NC(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)cc1 ZINC000224145143 132281749 /nfs/dbraw/zinc/28/17/49/132281749.db2.gz QIMLXUHDAXDVOB-UHFFFAOYSA-N 1 2 368.485 3.739 10 0 FHAELO Nc1c(Nc2ccc(F)c(F)c2)[nH+]cnc1N1CCc2ccccc2C1 ZINC000040780705 132948623 /nfs/dbraw/zinc/94/86/23/132948623.db2.gz NAUXULLMTMDGMS-UHFFFAOYSA-N 1 2 353.376 3.643 10 0 FHAELO Nc1c(Nc2ccc(F)c(F)c2)nc[nH+]c1N1CCc2ccccc2C1 ZINC000040780705 132948625 /nfs/dbraw/zinc/94/86/25/132948625.db2.gz NAUXULLMTMDGMS-UHFFFAOYSA-N 1 2 353.376 3.643 10 0 FHAELO CC1CCN(c2nc[nH+]c(Nc3cccc(Br)c3)c2N)CC1 ZINC000040733053 136120280 /nfs/dbraw/zinc/12/02/80/136120280.db2.gz PPCAYHVGQCGREL-UHFFFAOYSA-N 1 2 362.275 3.801 10 0 FHAELO CC1CCN(c2[nH+]cnc(Nc3cccc(Br)c3)c2N)CC1 ZINC000040733053 136120281 /nfs/dbraw/zinc/12/02/81/136120281.db2.gz PPCAYHVGQCGREL-UHFFFAOYSA-N 1 2 362.275 3.801 10 0 FHAELO Cc1cccc(Nc2[nH+]cnc(N3CCN(c4ccccc4)CC3)c2N)c1C ZINC000040726951 136120439 /nfs/dbraw/zinc/12/04/39/136120439.db2.gz YEAUDNLCGUGICY-UHFFFAOYSA-N 1 2 374.492 3.746 10 0 FHAELO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)CC1=CCCCC1)CC2 ZINC000275639947 523604967 /nfs/dbraw/zinc/60/49/67/523604967.db2.gz KAHVWKIFBGCJPW-QGZVFWFLSA-N 1 2 359.539 3.847 10 0 FHAELO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)CC1=CCCCC1)CC2 ZINC000275639947 523604977 /nfs/dbraw/zinc/60/49/77/523604977.db2.gz KAHVWKIFBGCJPW-QGZVFWFLSA-N 1 2 359.539 3.847 10 0 FHAELO COc1ccc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000226255300 536776460 /nfs/dbraw/zinc/77/64/60/536776460.db2.gz SCZVVPWTVMRJPK-CQSZACIVSA-N 1 2 369.465 3.917 10 0 FHAELO COc1ccc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@H]2C)cc1OC ZINC000226255300 536776463 /nfs/dbraw/zinc/77/64/63/536776463.db2.gz SCZVVPWTVMRJPK-CQSZACIVSA-N 1 2 369.465 3.917 10 0 FHAELO c1c[nH+]c([C@H](Nc2ccc(Cc3nnc4n3CCC4)cc2)c2ccccc2)[nH]1 ZINC000188584311 567972205 /nfs/dbraw/zinc/97/22/05/567972205.db2.gz QZIKNTKOZPPQTJ-OAQYLSRUSA-N 1 2 370.460 3.740 10 0 FHAELO C[N@@H+](Cc1cscn1)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000063591148 567983881 /nfs/dbraw/zinc/98/38/81/567983881.db2.gz PUTGBXFOOZOCDK-HXUWFJFHSA-N 1 2 368.502 3.742 10 0 FHAELO C[N@H+](Cc1cscn1)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000063591148 567983882 /nfs/dbraw/zinc/98/38/82/567983882.db2.gz PUTGBXFOOZOCDK-HXUWFJFHSA-N 1 2 368.502 3.742 10 0 FHAELO COC(=O)c1cc2nc(SCc3[nH+]ccc(OC)c3C)[nH]c2cc1C ZINC000242463765 222922088 /nfs/dbraw/zinc/92/20/88/222922088.db2.gz DJYKVMOPZYEHPJ-UHFFFAOYSA-N 1 2 357.435 3.662 10 0 FHAELO CCCn1cc[nH+]c1CNc1ccc(I)cc1C ZINC000061877810 212027326 /nfs/dbraw/zinc/02/73/26/212027326.db2.gz JVBZYIXNDYQSEI-UHFFFAOYSA-N 1 2 355.223 3.818 10 0 FHAELO COC(=O)c1ccc(-c2noc(C[N@H+](C)[C@H](C)c3cccs3)n2)cc1 ZINC000014961011 211106878 /nfs/dbraw/zinc/10/68/78/211106878.db2.gz SLSQKUGVKMKYNO-GFCCVEGCSA-N 1 2 357.435 3.778 10 0 FHAELO COC(=O)c1ccc(-c2noc(C[N@@H+](C)[C@H](C)c3cccs3)n2)cc1 ZINC000014961011 211106880 /nfs/dbraw/zinc/10/68/80/211106880.db2.gz SLSQKUGVKMKYNO-GFCCVEGCSA-N 1 2 357.435 3.778 10 0 FHAELO CO[C@H](C)c1nc(CN2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)cs1 ZINC000275589341 523913042 /nfs/dbraw/zinc/91/30/42/523913042.db2.gz GBJAZPPMBHMRTM-DYVFJYSZSA-N 1 2 360.527 3.800 10 0 FHAELO C[C@@H](C(=O)OC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000002568232 560188059 /nfs/dbraw/zinc/18/80/59/560188059.db2.gz GHDWIFTUSXQYGK-YGOACVGDSA-N 1 2 352.272 3.721 10 0 in-vitro FHAELO C[C@@H](C(=O)OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC000002568232 560188061 /nfs/dbraw/zinc/18/80/61/560188061.db2.gz GHDWIFTUSXQYGK-YGOACVGDSA-N 1 2 352.272 3.721 10 0 in-vitro FHAELO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1=CCCCCC1)CC2 ZINC000275867653 570729332 /nfs/dbraw/zinc/72/93/32/570729332.db2.gz ZROJYWAHVWXIST-QGZVFWFLSA-N 1 2 359.539 3.847 10 0 FHAELO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1=CCCCCC1)CC2 ZINC000275867653 570729335 /nfs/dbraw/zinc/72/93/35/570729335.db2.gz ZROJYWAHVWXIST-QGZVFWFLSA-N 1 2 359.539 3.847 10 0 FHAELO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](Cc2cnoc2C2CC2)C1 ZINC000583615374 570809385 /nfs/dbraw/zinc/80/93/85/570809385.db2.gz CXZPSZZJAPBRFK-CVEARBPZSA-N 1 2 352.356 3.879 10 0 FHAELO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2cnoc2C2CC2)C1 ZINC000583615374 570809387 /nfs/dbraw/zinc/80/93/87/570809387.db2.gz CXZPSZZJAPBRFK-CVEARBPZSA-N 1 2 352.356 3.879 10 0 FHAELO CO[C@H](C[NH+]1CCN(C[C@H](C)C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000022863143 210237038 /nfs/dbraw/zinc/23/70/38/210237038.db2.gz SGGBVTPQLWEREB-SIKLNZKXSA-N 1 2 366.505 3.511 10 0 FHAELO CCO[C@H](Cc1ccccc1)N1CC[NH+](CCC(=O)c2cccs2)CC1 ZINC000022042038 210236708 /nfs/dbraw/zinc/23/67/08/210236708.db2.gz FBOAKMVWNANFBP-OAQYLSRUSA-N 1 2 372.534 3.544 10 0 FHAELO Cc1c(C(=O)c2cccc(C)c2)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000013742541 210234450 /nfs/dbraw/zinc/23/44/50/210234450.db2.gz LLBPAWNWAYOKBO-UHFFFAOYSA-N 1 2 362.473 3.821 10 0 FHAELO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2cnccn2)cc1 ZINC000033252616 211593171 /nfs/dbraw/zinc/59/31/71/211593171.db2.gz ZIONWMSPTCSJAZ-UHFFFAOYSA-N 1 2 371.444 3.884 10 0 FHAELO C[C@H](Nc1ccc(N2CCOCC2)[nH+]c1)c1ccc(Br)s1 ZINC000038002937 211341795 /nfs/dbraw/zinc/34/17/95/211341795.db2.gz VOMYWTCCFDUWET-NSHDSACASA-N 1 2 368.300 3.915 10 0 FHAELO Cc1cccc(-n2cc(C[NH+]3CCN(C)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000019337131 211216638 /nfs/dbraw/zinc/21/66/38/211216638.db2.gz AYCGXNSFTTXQAF-UHFFFAOYSA-N 1 2 364.468 3.734 10 0 FHAELO CCNc1[nH+]cccc1NC(=O)c1cc(Br)cnc1Cl ZINC000071973364 221391044 /nfs/dbraw/zinc/39/10/44/221391044.db2.gz FGAWMWXLCMDXFM-UHFFFAOYSA-N 1 2 355.623 3.577 10 0 FHAELO Cc1cc(N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)nc(C2CC2)[nH+]1 ZINC000275463146 525296615 /nfs/dbraw/zinc/29/66/15/525296615.db2.gz UGKNXKXINQKYEC-MRXNPFEDSA-N 1 2 357.458 3.749 10 0 FHAELO Cc1nc([C@H](C)N(C)C(=O)c2cnc(C[NH+]3CCCC3)s2)c(C)s1 ZINC000082134518 527058007 /nfs/dbraw/zinc/05/80/07/527058007.db2.gz UKAFIYUTPKULGJ-NSHDSACASA-N 1 2 364.540 3.645 10 0 FHAELO CC[C@@H]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)C1 ZINC000128675034 568149640 /nfs/dbraw/zinc/14/96/40/568149640.db2.gz FRHICSXNZLCVHI-IAGOWNOFSA-N 1 2 364.559 3.638 10 0 FHAELO CC[C@@H]1CCC[C@@H](NC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)C1 ZINC000128675034 568149641 /nfs/dbraw/zinc/14/96/41/568149641.db2.gz FRHICSXNZLCVHI-IAGOWNOFSA-N 1 2 364.559 3.638 10 0 FHAELO O=C(c1noc2c1CCCC2)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095359500 570453826 /nfs/dbraw/zinc/45/38/26/570453826.db2.gz FZMXJCAKBSLYBF-INIZCTEOSA-N 1 2 368.481 3.570 10 0 FHAELO Cc1ccsc1C(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275750756 570724469 /nfs/dbraw/zinc/72/44/69/570724469.db2.gz QWUOPEYXHJDNAT-CQSZACIVSA-N 1 2 361.536 3.640 10 0 FHAELO Cc1ccsc1C(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275750756 570724471 /nfs/dbraw/zinc/72/44/71/570724471.db2.gz QWUOPEYXHJDNAT-CQSZACIVSA-N 1 2 361.536 3.640 10 0 FHAELO O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](Cc2cnoc2C2CC2)C1 ZINC000583615375 570809324 /nfs/dbraw/zinc/80/93/24/570809324.db2.gz CXZPSZZJAPBRFK-HOTGVXAUSA-N 1 2 352.356 3.879 10 0 FHAELO O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@@H+](Cc2cnoc2C2CC2)C1 ZINC000583615375 570809327 /nfs/dbraw/zinc/80/93/27/570809327.db2.gz CXZPSZZJAPBRFK-HOTGVXAUSA-N 1 2 352.356 3.879 10 0 FHAELO Brc1cnsc1C[NH2+]Cc1ccccc1Br ZINC000667406898 571151329 /nfs/dbraw/zinc/15/13/29/571151329.db2.gz HLDNJPSLAIHGLX-UHFFFAOYSA-N 1 2 362.090 3.958 10 0 FHAELO Cc1ccc(CC(=O)N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)cc1 ZINC000328627268 571324912 /nfs/dbraw/zinc/32/49/12/571324912.db2.gz FZHMWRBDUYUNBM-GOSISDBHSA-N 1 2 369.534 3.507 10 0 FHAELO Cc1ccc(CC(=O)N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)cc1 ZINC000328627268 571324913 /nfs/dbraw/zinc/32/49/13/571324913.db2.gz FZHMWRBDUYUNBM-GOSISDBHSA-N 1 2 369.534 3.507 10 0 FHAELO c1sc([C@@H]2CCCO2)nc1CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000328628416 571325052 /nfs/dbraw/zinc/32/50/52/571325052.db2.gz HFDAPXQMPNRHQC-SJORKVTESA-N 1 2 358.511 3.934 10 0 FHAELO O=C(c1ccccc1Cl)[C@@](O)(Cn1cc[nH+]c1)c1ccccc1Cl ZINC000026008905 210241204 /nfs/dbraw/zinc/24/12/04/210241204.db2.gz KIMIDHGECSSZSL-GOSISDBHSA-N 1 2 361.228 3.961 10 0 FHAELO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccc(F)cc3)C1)OCCCO2 ZINC000071747798 221359158 /nfs/dbraw/zinc/35/91/58/221359158.db2.gz RZISKJXUBOEVLH-OAQYLSRUSA-N 1 2 373.424 3.569 10 0 FHAELO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccc(F)cc3)C1)OCCCO2 ZINC000071747798 221359160 /nfs/dbraw/zinc/35/91/60/221359160.db2.gz RZISKJXUBOEVLH-OAQYLSRUSA-N 1 2 373.424 3.569 10 0 FHAELO O=C(CC1=CSC2=[NH+]CCCN12)N1CCCC[C@H]1c1cccc(F)c1 ZINC000102805431 222309483 /nfs/dbraw/zinc/30/94/83/222309483.db2.gz UCYOUXKQCVHHFV-KRWDZBQOSA-N 1 2 359.470 3.919 10 0 FHAELO COc1ccc(C(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)cc1OC ZINC000226255273 536776373 /nfs/dbraw/zinc/77/63/73/536776373.db2.gz HLJCVLIINXIGEJ-UHFFFAOYSA-N 1 2 355.438 3.529 10 0 FHAELO COc1ccc2[nH]c(SCc3[nH+]cc(C)c(OC(C)=O)c3C)nc2c1 ZINC000071974030 571167884 /nfs/dbraw/zinc/16/78/84/571167884.db2.gz QXSBQPLPAYUFHO-UHFFFAOYSA-N 1 2 357.435 3.801 10 0 in-vitro FHAELO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000224351111 571202339 /nfs/dbraw/zinc/20/23/39/571202339.db2.gz AXZOIFUGOKMECV-UHFFFAOYSA-N 1 2 367.497 3.693 10 0 FHAELO CC(C)NC(=O)N(Cc1[nH+]ccn1Cc1c(F)cccc1Cl)C1CC1 ZINC000006690051 571240665 /nfs/dbraw/zinc/24/06/65/571240665.db2.gz MHIMQWLIVBIRSB-UHFFFAOYSA-N 1 2 364.852 3.806 10 0 FHAELO CCc1cc(C)c(C(=O)N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)o1 ZINC000328632516 210118784 /nfs/dbraw/zinc/11/87/84/210118784.db2.gz LJILMQHIZCNSAR-MRXNPFEDSA-N 1 2 373.522 3.734 10 0 FHAELO CCc1cc(C)c(C(=O)N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)o1 ZINC000328632516 210118788 /nfs/dbraw/zinc/11/87/88/210118788.db2.gz LJILMQHIZCNSAR-MRXNPFEDSA-N 1 2 373.522 3.734 10 0 FHAELO Oc1cc(-c2cccnc2)cc2c1OCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000014992560 211112280 /nfs/dbraw/zinc/11/22/80/211112280.db2.gz NJNCZWZUOJTDHY-UHFFFAOYSA-N 1 2 350.393 3.988 10 0 FHAELO Oc1cc(-c2cccnc2)cc2c1OCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000014992560 211112284 /nfs/dbraw/zinc/11/22/84/211112284.db2.gz NJNCZWZUOJTDHY-UHFFFAOYSA-N 1 2 350.393 3.988 10 0 FHAELO COc1ccc(Cl)cc1C(=O)N1CCc2[nH]c[nH+]c2C12CCCCC2 ZINC000065293159 221197100 /nfs/dbraw/zinc/19/71/00/221197100.db2.gz XHFAFMGLYPHGSX-UHFFFAOYSA-N 1 2 359.857 3.930 10 0 FHAELO Cc1cccc(N2CCN(c3nc[nH+]c(Nc4ccccc4)c3N)CC2)c1C ZINC000054544117 136125612 /nfs/dbraw/zinc/12/56/12/136125612.db2.gz SHVMJVNVCPYHAZ-UHFFFAOYSA-N 1 2 374.492 3.746 10 0 FHAELO Cc1cccc(N2CCN(c3[nH+]cnc(Nc4ccccc4)c3N)CC2)c1C ZINC000054544117 136125613 /nfs/dbraw/zinc/12/56/13/136125613.db2.gz SHVMJVNVCPYHAZ-UHFFFAOYSA-N 1 2 374.492 3.746 10 0 FHAELO Clc1ccccc1CNc1nc(N2CCOCC2)[nH+]c2ccccc21 ZINC000072260569 136143950 /nfs/dbraw/zinc/14/39/50/136143950.db2.gz UYXVQOWPWYMPKQ-UHFFFAOYSA-N 1 2 354.841 3.732 10 0 FHAELO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)Nc1ccsc1)CC2 ZINC000276119408 523604260 /nfs/dbraw/zinc/60/42/60/523604260.db2.gz XOIIZBGJPRROLQ-AWEZNQCLSA-N 1 2 362.524 3.723 10 0 FHAELO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)Nc1ccsc1)CC2 ZINC000276119408 523604270 /nfs/dbraw/zinc/60/42/70/523604270.db2.gz XOIIZBGJPRROLQ-AWEZNQCLSA-N 1 2 362.524 3.723 10 0 FHAELO O=C(c1noc2c1CCCC2)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091319950 526929973 /nfs/dbraw/zinc/92/99/73/526929973.db2.gz UNXNXBPYDHFOIF-UHFFFAOYSA-N 1 2 368.481 3.570 10 0 FHAELO COc1cc2c(cc1OC)[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)[NH+]1C ZINC000026771533 560091844 /nfs/dbraw/zinc/09/18/44/560091844.db2.gz QEOWCPFWLCIQSL-IRXDYDNUSA-N 1 2 355.434 3.547 10 0 biogenic,in-vitro FHAELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000186367924 567908944 /nfs/dbraw/zinc/90/89/44/567908944.db2.gz ZLIYHSNLBAMRHD-QGZVFWFLSA-N 1 2 363.255 3.525 10 0 FHAELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000186367924 567908945 /nfs/dbraw/zinc/90/89/45/567908945.db2.gz ZLIYHSNLBAMRHD-QGZVFWFLSA-N 1 2 363.255 3.525 10 0 FHAELO O[C@H](Cc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000055088233 571144852 /nfs/dbraw/zinc/14/48/52/571144852.db2.gz KMHHDZVKDAYKHJ-JOCHJYFZSA-N 1 2 360.457 3.752 10 0 FHAELO O[C@H](Cc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1ccccn1)CCO2 ZINC000055088233 571144854 /nfs/dbraw/zinc/14/48/54/571144854.db2.gz KMHHDZVKDAYKHJ-JOCHJYFZSA-N 1 2 360.457 3.752 10 0 FHAELO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)c1ccc2ccccc2c1 ZINC000224352107 571202477 /nfs/dbraw/zinc/20/24/77/571202477.db2.gz LMXXUIVVRHHRII-UHFFFAOYSA-N 1 2 361.449 3.548 10 0 FHAELO Cc1nc(CN2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)nc2ccccc12 ZINC000548349575 571272320 /nfs/dbraw/zinc/27/23/20/571272320.db2.gz BUFWULXGVUQLEV-HXUWFJFHSA-N 1 2 361.493 3.888 10 0 FHAELO Cn1c2c([nH+]c1[C@@H]1CCCN1Cc1csc([C@@H]3CCCO3)n1)CCCC2 ZINC000328631750 571325252 /nfs/dbraw/zinc/32/52/52/571325252.db2.gz KVQVUKNQMUWBHA-ROUUACIJSA-N 1 2 372.538 3.944 10 0 FHAELO CCO[C@@H](Cc1ccccc1)N1CC[NH+](CCC(=O)c2cccs2)CC1 ZINC000022042036 210236668 /nfs/dbraw/zinc/23/66/68/210236668.db2.gz FBOAKMVWNANFBP-NRFANRHFSA-N 1 2 372.534 3.544 10 0 FHAELO COc1cccc2c1OCC(C[N@H+]1CCc3[nH]nc(C4CCC4)c3C1)=C2 ZINC000023231716 211380776 /nfs/dbraw/zinc/38/07/76/211380776.db2.gz FAZSYBOUQDGETM-UHFFFAOYSA-N 1 2 351.450 3.520 10 0 FHAELO COc1cccc2c1OCC(C[N@@H+]1CCc3n[nH]c(C4CCC4)c3C1)=C2 ZINC000023231716 211380781 /nfs/dbraw/zinc/38/07/81/211380781.db2.gz FAZSYBOUQDGETM-UHFFFAOYSA-N 1 2 351.450 3.520 10 0 FHAELO COc1cccc2c1OCC(C[N@H+]1CCc3n[nH]c(C4CCC4)c3C1)=C2 ZINC000023231716 211380786 /nfs/dbraw/zinc/38/07/86/211380786.db2.gz FAZSYBOUQDGETM-UHFFFAOYSA-N 1 2 351.450 3.520 10 0 FHAELO COc1cccc2c1OCC(C[N@@H+]1CCc3[nH]nc(C4CCC4)c3C1)=C2 ZINC000023231716 211380771 /nfs/dbraw/zinc/38/07/71/211380771.db2.gz FAZSYBOUQDGETM-UHFFFAOYSA-N 1 2 351.450 3.520 10 0 FHAELO COC(=O)[C@@H]([NH2+]C1CCCCC1)c1ccc(OC)c(Br)c1 ZINC000038052518 211368959 /nfs/dbraw/zinc/36/89/59/211368959.db2.gz UXRAGUCXDZQICR-HNNXBMFYSA-N 1 2 356.260 3.594 10 0 FHAELO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000021334436 211313912 /nfs/dbraw/zinc/31/39/12/211313912.db2.gz YBTLBESUCQWZIW-OUAUKWLOSA-N 1 2 364.795 3.795 10 0 FHAELO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000021334436 211313918 /nfs/dbraw/zinc/31/39/18/211313918.db2.gz YBTLBESUCQWZIW-OUAUKWLOSA-N 1 2 364.795 3.795 10 0 FHAELO C[C@@H]1CCCN(C(=O)c2cc3c(n2C)CC[N@H+](Cc2ccc(F)cc2)C3)C1 ZINC000065211067 221180117 /nfs/dbraw/zinc/18/01/17/221180117.db2.gz UNIYSHWDRLJEGH-MRXNPFEDSA-N 1 2 369.484 3.595 10 0 FHAELO C[C@@H]1CCCN(C(=O)c2cc3c(n2C)CC[N@@H+](Cc2ccc(F)cc2)C3)C1 ZINC000065211067 221180121 /nfs/dbraw/zinc/18/01/21/221180121.db2.gz UNIYSHWDRLJEGH-MRXNPFEDSA-N 1 2 369.484 3.595 10 0 FHAELO Cc1ccc(NC(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)cc1F ZINC000224146166 132281634 /nfs/dbraw/zinc/28/16/34/132281634.db2.gz LQNLAKBIQPXJQY-UHFFFAOYSA-N 1 2 372.448 3.624 10 0 FHAELO Cc1ccc(C)c(Nc2[nH+]cnc(N3CCN(c4ccccc4)CC3)c2N)c1 ZINC000040704401 136119936 /nfs/dbraw/zinc/11/99/36/136119936.db2.gz GJNWPCXQRSZOCE-UHFFFAOYSA-N 1 2 374.492 3.746 10 0 FHAELO CC1CCN(c2nc[nH+]c(Nc3ccc(Br)cc3)c2N)CC1 ZINC000040732897 136120401 /nfs/dbraw/zinc/12/04/01/136120401.db2.gz IJQRUNJUYFDRPC-UHFFFAOYSA-N 1 2 362.275 3.801 10 0 FHAELO CC1CCN(c2[nH+]cnc(Nc3ccc(Br)cc3)c2N)CC1 ZINC000040732897 136120402 /nfs/dbraw/zinc/12/04/02/136120402.db2.gz IJQRUNJUYFDRPC-UHFFFAOYSA-N 1 2 362.275 3.801 10 0 FHAELO COc1ccc(CNc2[nH+]cnc(N3CCCc4ccccc43)c2N)cc1 ZINC000040753786 136120561 /nfs/dbraw/zinc/12/05/61/136120561.db2.gz NTGUVDSHMHMHRE-UHFFFAOYSA-N 1 2 361.449 3.764 10 0 FHAELO Cc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)nc(NC4CC4)c3C2)s1 ZINC000096254111 222102196 /nfs/dbraw/zinc/10/21/96/222102196.db2.gz ORDPUGSZPYZKPF-UHFFFAOYSA-N 1 2 369.538 3.579 10 0 FHAELO Cc1ccc(C[N@H+]2CCc3nc(N4CCCC4)nc(NC4CC4)c3C2)s1 ZINC000096254111 222102202 /nfs/dbraw/zinc/10/22/02/222102202.db2.gz ORDPUGSZPYZKPF-UHFFFAOYSA-N 1 2 369.538 3.579 10 0 FHAELO c1nn(-c2ccccc2)cc1-c1ccnc(NCc2c[nH+]c3ccccn23)n1 ZINC000048428382 263407056 /nfs/dbraw/zinc/40/70/56/263407056.db2.gz PGTHHVOROKNPEX-UHFFFAOYSA-N 1 2 367.416 3.589 10 0 FHAELO COc1cccc(C[N@@H+]2CCC[C@H]2c2nc3c(n2C)CCCC3)c1OC ZINC000275353353 525943056 /nfs/dbraw/zinc/94/30/56/525943056.db2.gz AFUIIYVTTCTNDD-SFHVURJKSA-N 1 2 355.482 3.653 10 0 FHAELO COc1cccc(C[N@H+]2CCC[C@H]2c2nc3c(n2C)CCCC3)c1OC ZINC000275353353 525943067 /nfs/dbraw/zinc/94/30/67/525943067.db2.gz AFUIIYVTTCTNDD-SFHVURJKSA-N 1 2 355.482 3.653 10 0 FHAELO CC(C)CN(CC(C)C)c1[nH+]cnc(N2CCc3ccccc3C2)c1N ZINC000040735639 535037875 /nfs/dbraw/zinc/03/78/75/535037875.db2.gz YHPVOZUQVBDQJW-UHFFFAOYSA-N 1 2 353.514 3.740 10 0 FHAELO CC(C)CN(CC(C)C)c1nc[nH+]c(N2CCc3ccccc3C2)c1N ZINC000040735639 535037881 /nfs/dbraw/zinc/03/78/81/535037881.db2.gz YHPVOZUQVBDQJW-UHFFFAOYSA-N 1 2 353.514 3.740 10 0 FHAELO COc1ccc(C(=O)Nc2cc(N)ccc2[NH+]2CCC(C)CC2)cc1OC ZINC000226255261 536776071 /nfs/dbraw/zinc/77/60/71/536776071.db2.gz XAAAMCJCAGDLJE-UHFFFAOYSA-N 1 2 369.465 3.775 10 0 FHAELO CC[C@@H]1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)C1 ZINC000128674548 568149406 /nfs/dbraw/zinc/14/94/06/568149406.db2.gz FRHICSXNZLCVHI-SJORKVTESA-N 1 2 364.559 3.638 10 0 FHAELO CC[C@@H]1CCC[C@H](NC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)C1 ZINC000128674548 568149407 /nfs/dbraw/zinc/14/94/07/568149407.db2.gz FRHICSXNZLCVHI-SJORKVTESA-N 1 2 364.559 3.638 10 0 FHAELO CO[C@@H](C[NH+]1CCN(C[C@H](C)C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000022863131 210235971 /nfs/dbraw/zinc/23/59/71/210235971.db2.gz SGGBVTPQLWEREB-UGKGYDQZSA-N 1 2 366.505 3.511 10 0 FHAELO O=C(Nc1ccnn1C1CC[NH+](C[C@H]2CC=CCC2)CC1)c1cccnc1 ZINC000023214183 211379651 /nfs/dbraw/zinc/37/96/51/211379651.db2.gz GVBYBODZMKIEPA-KRWDZBQOSA-N 1 2 365.481 3.524 10 0 FHAELO C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000021334429 211312365 /nfs/dbraw/zinc/31/23/65/211312365.db2.gz YBTLBESUCQWZIW-MXWKQRLJSA-N 1 2 364.795 3.795 10 0 FHAELO O=C(CCC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1)Nc1ccccc1 ZINC000065274165 221193657 /nfs/dbraw/zinc/19/36/57/221193657.db2.gz HKUSVUNHQMVDBB-UHFFFAOYSA-N 1 2 365.481 3.686 10 0 FHAELO O=C(CCC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1)Nc1ccccc1 ZINC000065274165 221193660 /nfs/dbraw/zinc/19/36/60/221193660.db2.gz HKUSVUNHQMVDBB-UHFFFAOYSA-N 1 2 365.481 3.686 10 0 FHAELO Cc1ccccc1C(=O)N1CC[NH+]=C1N1CCC(Cc2ccccc2)CC1 ZINC000065306487 221198314 /nfs/dbraw/zinc/19/83/14/221198314.db2.gz NDLTZZWXLIXAHC-UHFFFAOYSA-N 1 2 361.489 3.762 10 0 FHAELO Cc1ccccc1OCC(=O)Nc1cc(N)ccc1[N@H+]1CCCC[C@@H]1C ZINC000226253329 132250051 /nfs/dbraw/zinc/25/00/51/132250051.db2.gz GTMCZCAAHQUTQM-INIZCTEOSA-N 1 2 353.466 3.974 10 0 FHAELO Cc1ccccc1OCC(=O)Nc1cc(N)ccc1[N@@H+]1CCCC[C@@H]1C ZINC000226253329 132250052 /nfs/dbraw/zinc/25/00/52/132250052.db2.gz GTMCZCAAHQUTQM-INIZCTEOSA-N 1 2 353.466 3.974 10 0 FHAELO Cc1ccc(Nc2[nH+]cnc(N3CCN(c4ccccc4)CC3)c2N)cc1C ZINC000040702720 136119888 /nfs/dbraw/zinc/11/98/88/136119888.db2.gz GREIVYJQKBSYBS-UHFFFAOYSA-N 1 2 374.492 3.746 10 0 FHAELO CC1CCN(c2nc[nH+]c(Nc3ccc(OC(F)(F)F)cc3)c2N)CC1 ZINC000040733104 136120399 /nfs/dbraw/zinc/12/03/99/136120399.db2.gz PKLZNYIPEPOEGJ-UHFFFAOYSA-N 1 2 367.375 3.937 10 0 FHAELO Cc1ccc(CC(=O)N2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)cc1 ZINC000328627269 571324896 /nfs/dbraw/zinc/32/48/96/571324896.db2.gz FZHMWRBDUYUNBM-SFHVURJKSA-N 1 2 369.534 3.507 10 0 FHAELO Cc1ccc(CC(=O)N2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)cc1 ZINC000328627269 571324897 /nfs/dbraw/zinc/32/48/97/571324897.db2.gz FZHMWRBDUYUNBM-SFHVURJKSA-N 1 2 369.534 3.507 10 0 FHAELO CO[C@@H](C[NH+]1CCN(C[C@@H](C)C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000031570359 210245166 /nfs/dbraw/zinc/24/51/66/210245166.db2.gz SGGBVTPQLWEREB-KNQAVFIVSA-N 1 2 366.505 3.511 10 0 FHAELO CC(C)n1cccc1C(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000328635822 210120418 /nfs/dbraw/zinc/12/04/18/210120418.db2.gz NQHOSFDQVILENT-KRWDZBQOSA-N 1 2 372.538 3.652 10 0 FHAELO CC(C)n1cccc1C(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000328635822 210120422 /nfs/dbraw/zinc/12/04/22/210120422.db2.gz NQHOSFDQVILENT-KRWDZBQOSA-N 1 2 372.538 3.652 10 0 FHAELO C[C@@H]([NH2+][C@@H]1CS(=O)(=O)c2ccccc21)c1cccc(Br)c1 ZINC000038012350 211348304 /nfs/dbraw/zinc/34/83/04/211348304.db2.gz CEUXTDOMINQBMT-IAQYHMDHSA-N 1 2 366.280 3.628 10 0 FHAELO Clc1ccccc1Cn1c2ccccc2nc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000071776935 221375624 /nfs/dbraw/zinc/37/56/24/221375624.db2.gz MYOIZQHCDJRGPG-LJQANCHMSA-N 1 2 363.852 3.696 10 0 FHAELO O[C@@](/C=C\c1ccc(Br)cc1)(Cn1cc[nH+]c1)c1ccncc1 ZINC000091365855 221754550 /nfs/dbraw/zinc/75/45/50/221754550.db2.gz RFONFZXETRHMQH-MTIYJEKLSA-N 1 2 370.250 3.642 10 0 FHAELO OC[C@H]1CCCN(c2[nH+]c3ccccc3n2Cc2cccc(Cl)c2)C1 ZINC000095078551 221845127 /nfs/dbraw/zinc/84/51/27/221845127.db2.gz VTAABSDPLPPONI-INIZCTEOSA-N 1 2 355.869 3.947 10 0 FHAELO CO[C@H](C)c1nc(CN2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)cs1 ZINC000275589340 523912583 /nfs/dbraw/zinc/91/25/83/523912583.db2.gz GBJAZPPMBHMRTM-CXAGYDPISA-N 1 2 360.527 3.800 10 0 FHAELO COc1cccc(-c2n[nH]c3c2C[N@H+](Cc2cccc(C(C)=O)c2)CC3)c1 ZINC000019740408 220291590 /nfs/dbraw/zinc/29/15/90/220291590.db2.gz UTWUPSKRBXBHNA-UHFFFAOYSA-N 1 2 361.445 3.846 10 0 FHAELO COc1cccc(-c2n[nH]c3c2C[N@@H+](Cc2cccc(C(C)=O)c2)CC3)c1 ZINC000019740408 220291594 /nfs/dbraw/zinc/29/15/94/220291594.db2.gz UTWUPSKRBXBHNA-UHFFFAOYSA-N 1 2 361.445 3.846 10 0 FHAELO Cc1cccc(-c2noc(C[N@@H+](C)Cc3ccc4cccc(O)c4n3)n2)c1 ZINC000055325818 221065751 /nfs/dbraw/zinc/06/57/51/221065751.db2.gz JIUYESGDUNBZSG-UHFFFAOYSA-N 1 2 360.417 3.931 10 0 FHAELO Cc1cccc(-c2noc(C[N@H+](C)Cc3ccc4cccc(O)c4n3)n2)c1 ZINC000055325818 221065753 /nfs/dbraw/zinc/06/57/53/221065753.db2.gz JIUYESGDUNBZSG-UHFFFAOYSA-N 1 2 360.417 3.931 10 0 FHAELO Cc1cccc(OCC(=O)Nc2cc(N)ccc2[NH+]2CCC(C)CC2)c1 ZINC000226253379 132249820 /nfs/dbraw/zinc/24/98/20/132249820.db2.gz UOZRARNVPVQPIH-UHFFFAOYSA-N 1 2 353.466 3.831 10 0 FHAELO Nc1c(NC2CCCCCC2)nc[nH+]c1N1CCN(c2ccccc2)CC1 ZINC000040727202 136120284 /nfs/dbraw/zinc/12/02/84/136120284.db2.gz WQPBURBLMJZVBL-UHFFFAOYSA-N 1 2 366.513 3.520 10 0 FHAELO c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328648418 534471187 /nfs/dbraw/zinc/47/11/87/534471187.db2.gz UMWJSAJUVOUMPU-IBGZPJMESA-N 1 2 351.498 3.621 10 0 FHAELO c1cc(N2CCCC2)ncc1C[N@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328648418 534471194 /nfs/dbraw/zinc/47/11/94/534471194.db2.gz UMWJSAJUVOUMPU-IBGZPJMESA-N 1 2 351.498 3.621 10 0 FHAELO c1cc(N2CCCC2)ncc1CN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000328648418 534471181 /nfs/dbraw/zinc/47/11/81/534471181.db2.gz UMWJSAJUVOUMPU-IBGZPJMESA-N 1 2 351.498 3.621 10 0 FHAELO COc1ccc2c(c1)[nH]nc2C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071761348 221368690 /nfs/dbraw/zinc/36/86/90/221368690.db2.gz XBUMMDDURJRRLK-IBGZPJMESA-N 1 2 357.841 3.798 10 0 FHAELO COc1ccc2c(c1)[nH]nc2C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071761348 221368692 /nfs/dbraw/zinc/36/86/92/221368692.db2.gz XBUMMDDURJRRLK-IBGZPJMESA-N 1 2 357.841 3.798 10 0 FHAELO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[NH+]2CCC(C)CC2)cc1 ZINC000226253228 132250135 /nfs/dbraw/zinc/25/01/35/132250135.db2.gz BHJOOFONXJFCGR-UHFFFAOYSA-N 1 2 353.466 3.831 10 0 FHAELO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc3c(n2C)CCCC3)cc1OC ZINC000275540103 524030490 /nfs/dbraw/zinc/03/04/90/524030490.db2.gz MPEUAKDSSHJPOF-SFHVURJKSA-N 1 2 355.482 3.653 10 0 FHAELO COc1ccc(C[N@H+]2CCC[C@H]2c2nc3c(n2C)CCCC3)cc1OC ZINC000275540103 524030494 /nfs/dbraw/zinc/03/04/94/524030494.db2.gz MPEUAKDSSHJPOF-SFHVURJKSA-N 1 2 355.482 3.653 10 0 FHAELO O[C@@](/C=C\c1ccc(Br)cc1)(Cn1cc[nH+]c1)c1cccnc1 ZINC000091365852 527680051 /nfs/dbraw/zinc/68/00/51/527680051.db2.gz PCQKJYLOGPFRBW-ZEVQVBBLSA-N 1 2 370.250 3.642 10 0 FHAELO CCc1ccc(OCC(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)cc1 ZINC000226253205 536191303 /nfs/dbraw/zinc/19/13/03/536191303.db2.gz IJZYAWDTAULMAD-UHFFFAOYSA-N 1 2 353.466 3.839 10 0 FHAELO Cc1nn(C)c2nc[nH+]c(N[C@@H](c3cccnc3)c3cc(C)ccc3C)c12 ZINC000072425870 571194282 /nfs/dbraw/zinc/19/42/82/571194282.db2.gz UOAAEAFFXUAMKR-IBGZPJMESA-N 1 2 358.449 3.885 10 0 FHAELO Cn1c2c([nH+]c1[C@@H]1CCCN1Cc1nc3c(cccc3F)[nH]1)CCCC2 ZINC000328627620 571324943 /nfs/dbraw/zinc/32/49/43/571324943.db2.gz GITRNACLMSYJRQ-KRWDZBQOSA-N 1 2 353.445 3.651 10 0 FHAELO Cn1c2c([nH+]c1[C@H]1CCCN1Cc1csc([C@H]3CCCO3)n1)CCCC2 ZINC000328631749 571325326 /nfs/dbraw/zinc/32/53/26/571325326.db2.gz KVQVUKNQMUWBHA-QZTJIDSGSA-N 1 2 372.538 3.944 10 0 FHAELO Cc1nn(C)cc1C[N@@H+]1CCOc2c(O)cc(-c3cccs3)cc2C1 ZINC000014984342 220138329 /nfs/dbraw/zinc/13/83/29/220138329.db2.gz GJEIBSPKZKUWFQ-UHFFFAOYSA-N 1 2 355.463 3.557 10 0 FHAELO Cc1nn(C)cc1C[N@H+]1CCOc2c(O)cc(-c3cccs3)cc2C1 ZINC000014984342 220138331 /nfs/dbraw/zinc/13/83/31/220138331.db2.gz GJEIBSPKZKUWFQ-UHFFFAOYSA-N 1 2 355.463 3.557 10 0 FHAELO O=C(/C=C\c1ccc(F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000033321464 220730205 /nfs/dbraw/zinc/73/02/05/220730205.db2.gz HDDUXSWJVSLWOJ-AHGNYBSDSA-N 1 2 350.437 3.697 10 0 FHAELO CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc([NH+](C)C)cc1 ZINC000054672167 221055696 /nfs/dbraw/zinc/05/56/96/221055696.db2.gz QERNNLCXBMOOLT-UHFFFAOYSA-N 1 2 350.422 3.925 10 0 FHAELO Cc1[nH+]c2ccc(Cl)cn2c1[C@H]1CC(=O)Nc2cc3n[nH]cc3cc21 ZINC000067714435 221277030 /nfs/dbraw/zinc/27/70/30/221277030.db2.gz KFONBQKHCADGKI-ZDUSSCGKSA-N 1 2 351.797 3.647 10 0 FHAELO COc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1cnc(-c2ccccn2)nc1)CC3 ZINC000067842296 221292656 /nfs/dbraw/zinc/29/26/56/221292656.db2.gz RFUGAXFNHVKADE-UHFFFAOYSA-N 1 2 371.444 3.587 10 0 FHAELO COc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1cnc(-c2ccccn2)nc1)CC3 ZINC000067842296 221292658 /nfs/dbraw/zinc/29/26/58/221292658.db2.gz RFUGAXFNHVKADE-UHFFFAOYSA-N 1 2 371.444 3.587 10 0 FHAELO O=C1Nc2ccccc2NC12CCN(c1cc(C(F)(F)F)cc[nH+]1)CC2 ZINC000082097943 132194704 /nfs/dbraw/zinc/19/47/04/132194704.db2.gz HUPMKBBELDVJTI-UHFFFAOYSA-N 1 2 362.355 3.504 10 0 FHAELO CCOC(=O)c1ccccc1NC(=O)COc1cc(C)[nH+]c2ccccc21 ZINC000227149186 571342671 /nfs/dbraw/zinc/34/26/71/571342671.db2.gz JKQJVNSCRAJESK-UHFFFAOYSA-N 1 2 364.401 3.737 10 0 FHAELO Cc1ccc(-n2cc(C[NH+]3CCN(C)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000019608585 220281071 /nfs/dbraw/zinc/28/10/71/220281071.db2.gz KIPXXYXBBLXXGU-UHFFFAOYSA-N 1 2 364.468 3.734 10 0 FHAELO CCn1cc[nH+]c1CNc1ccc(I)cc1Cl ZINC000051922913 221037124 /nfs/dbraw/zinc/03/71/24/221037124.db2.gz MLWRXWCYGPQHHN-UHFFFAOYSA-N 1 2 361.614 3.773 10 0 FHAELO Brc1ccc(NCCCn2cc[nH+]c2)c(Br)c1 ZINC000049328133 221021414 /nfs/dbraw/zinc/02/14/14/221021414.db2.gz FXRSYUXLNALHEW-UHFFFAOYSA-N 1 2 359.065 3.910 10 0 FHAELO Clc1cnn(CC[N@@H+]2CCc3onc(-c4ccc(Cl)cc4)c3C2)c1 ZINC000067643280 221265573 /nfs/dbraw/zinc/26/55/73/221265573.db2.gz CHPVSOKJFYDRTJ-UHFFFAOYSA-N 1 2 363.248 3.903 10 0 FHAELO Clc1cnn(CC[N@H+]2CCc3onc(-c4ccc(Cl)cc4)c3C2)c1 ZINC000067643280 221265575 /nfs/dbraw/zinc/26/55/75/221265575.db2.gz CHPVSOKJFYDRTJ-UHFFFAOYSA-N 1 2 363.248 3.903 10 0 FHAELO O=C(Nc1ccc(F)cc1)C1CCN(c2[nH+]cccc2-n2cccc2)CC1 ZINC000033034560 132929694 /nfs/dbraw/zinc/92/96/94/132929694.db2.gz FMPWIMIZWKKRBT-UHFFFAOYSA-N 1 2 364.424 3.867 10 0 FHAELO Nc1c(Nc2ccc(OC(F)(F)F)cc2)[nH+]cnc1N1CCCCC1 ZINC000040724923 136120153 /nfs/dbraw/zinc/12/01/53/136120153.db2.gz LFJIVBOUDZPREI-UHFFFAOYSA-N 1 2 353.348 3.691 10 0 FHAELO CC(C)n1cc2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)sc2c1 ZINC000065285399 136135999 /nfs/dbraw/zinc/13/59/99/136135999.db2.gz ATYMGDUATRNLEY-UHFFFAOYSA-N 1 2 354.479 3.641 10 0 FHAELO COc1ccc(Cn2c3ccccc3[nH+]c2N[C@H]2CC[C@H](O)CC2)cc1 ZINC000100277100 222240270 /nfs/dbraw/zinc/24/02/70/222240270.db2.gz HIJCECUWCNBWBP-CALCHBBNSA-N 1 2 351.450 3.809 10 0 FHAELO CCOc1ccc(NC(=O)C[N@@H+]2CCN(c3ccc(C)cc3)[C@H](C)C2)cc1 ZINC000036011821 571079129 /nfs/dbraw/zinc/07/91/29/571079129.db2.gz MZBLVBDYPLWFHB-GOSISDBHSA-N 1 2 367.493 3.543 10 0 FHAELO CCOc1ccc(NC(=O)C[N@H+]2CCN(c3ccc(C)cc3)[C@H](C)C2)cc1 ZINC000036011821 571079131 /nfs/dbraw/zinc/07/91/31/571079131.db2.gz MZBLVBDYPLWFHB-GOSISDBHSA-N 1 2 367.493 3.543 10 0 FHAELO Cc1ccc2cc(CN(C(=O)c3cncs3)C3CC3)c(N(C)C)[nH+]c2c1 ZINC000020781228 220341969 /nfs/dbraw/zinc/34/19/69/220341969.db2.gz FDXYXBRNAHVCMC-UHFFFAOYSA-N 1 2 366.490 3.871 10 0 FHAELO Cc1[nH+]c2ccc(Cl)cn2c1[C@@H]1CC(=O)Nc2cc3n[nH]cc3cc21 ZINC000067714434 221277037 /nfs/dbraw/zinc/27/70/37/221277037.db2.gz KFONBQKHCADGKI-CYBMUJFWSA-N 1 2 351.797 3.647 10 0 FHAELO O=c1c2sccc2[nH]c(=S)n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000070460342 221332785 /nfs/dbraw/zinc/33/27/85/221332785.db2.gz UEUBGCIDAIRVPF-UHFFFAOYSA-N 1 2 357.504 3.584 10 0 FHAELO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2ccc(Br)o2)c1 ZINC000226254057 132249760 /nfs/dbraw/zinc/24/97/60/132249760.db2.gz IYBKJESSNWPKLB-UHFFFAOYSA-N 1 2 364.243 3.867 10 0 FHAELO NC(=[NH2+])N(c1nc(C(F)(F)F)cc(=O)[nH]1)c1cccc(Cl)c1Cl ZINC000098090901 222229417 /nfs/dbraw/zinc/22/94/17/222229417.db2.gz HVMZBDNMGYFHGY-UHFFFAOYSA-N 1 2 366.130 3.539 10 0 FHAELO Cc1ccsc1C(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275750754 570724339 /nfs/dbraw/zinc/72/43/39/570724339.db2.gz QWUOPEYXHJDNAT-AWEZNQCLSA-N 1 2 361.536 3.640 10 0 FHAELO Cc1ccsc1C(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275750754 570724343 /nfs/dbraw/zinc/72/43/43/570724343.db2.gz QWUOPEYXHJDNAT-AWEZNQCLSA-N 1 2 361.536 3.640 10 0 FHAELO CCN(C)C(=O)c1coc(C[N@H+](Cc2ccccc2F)[C@@H](C)C(C)C)n1 ZINC000036065545 571239901 /nfs/dbraw/zinc/23/99/01/571239901.db2.gz OYAUFWHFBFAENZ-HNNXBMFYSA-N 1 2 361.461 3.952 10 0 FHAELO CCN(C)C(=O)c1coc(C[N@@H+](Cc2ccccc2F)[C@@H](C)C(C)C)n1 ZINC000036065545 571239903 /nfs/dbraw/zinc/23/99/03/571239903.db2.gz OYAUFWHFBFAENZ-HNNXBMFYSA-N 1 2 361.461 3.952 10 0 FHAELO Cn1c2c([nH+]c1[C@@H]1CCCN1Cc1csc([C@H]3CCCO3)n1)CCCC2 ZINC000328631751 571325332 /nfs/dbraw/zinc/32/53/32/571325332.db2.gz KVQVUKNQMUWBHA-ZWKOTPCHSA-N 1 2 372.538 3.944 10 0 FHAELO COc1ccc2ncc(C(=O)Nc3cc(C)[nH+]c4ccc(C)cc34)c(O)c2c1 ZINC000039962814 220867526 /nfs/dbraw/zinc/86/75/26/220867526.db2.gz AJIAXHQGOUXEBT-UHFFFAOYSA-N 1 2 373.412 3.954 10 0 FHAELO Cc1ccc2[nH+]c3c(n2c1)[C@H](c1ccc(C(F)(F)F)cc1)CC(=O)NC3 ZINC000065458309 221221992 /nfs/dbraw/zinc/22/19/92/221221992.db2.gz LYPNYKUWOITNDG-AWEZNQCLSA-N 1 2 359.351 3.813 10 0 FHAELO Cc1ccc2[nH+]c3c(n2c1)[C@@H](c1ccc(C(F)(F)F)cc1)CC(=O)NC3 ZINC000065458314 221222232 /nfs/dbraw/zinc/22/22/32/221222232.db2.gz LYPNYKUWOITNDG-CQSZACIVSA-N 1 2 359.351 3.813 10 0 FHAELO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@H]2C)cc1 ZINC000226253261 132249935 /nfs/dbraw/zinc/24/99/35/132249935.db2.gz WFTHKCMOVASYCV-MRXNPFEDSA-N 1 2 353.466 3.974 10 0 FHAELO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@H]2C)cc1 ZINC000226253261 132249936 /nfs/dbraw/zinc/24/99/36/132249936.db2.gz WFTHKCMOVASYCV-MRXNPFEDSA-N 1 2 353.466 3.974 10 0 FHAELO Cc1c(F)cccc1NC(=O)Nc1c[nH+]c(N2CCCCC2)nc1N(C)C ZINC000224144685 132281598 /nfs/dbraw/zinc/28/15/98/132281598.db2.gz YIQFKOBADMDCEJ-UHFFFAOYSA-N 1 2 372.448 3.624 10 0 FHAELO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000224143896 132281609 /nfs/dbraw/zinc/28/16/09/132281609.db2.gz DBWDISSOUMYHFF-UHFFFAOYSA-N 1 2 374.876 3.830 10 0 FHAELO COc1cccc2ccc(C[NH+]3CCN(c4ccccc4F)CC3)nc21 ZINC000019835535 132892736 /nfs/dbraw/zinc/89/27/36/132892736.db2.gz BGFGZYYHSVQMOP-UHFFFAOYSA-N 1 2 351.425 3.705 10 0 FHAELO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cncc(Br)c1 ZINC000226260755 571275902 /nfs/dbraw/zinc/27/59/02/571275902.db2.gz OQXUSKVBFXVQRP-UHFFFAOYSA-N 1 2 363.259 3.525 10 0 FHAELO Cn1c2c([nH+]c1[C@H]1CCCN1Cc1csc([C@@H]3CCCO3)n1)CCCC2 ZINC000328631748 571325254 /nfs/dbraw/zinc/32/52/54/571325254.db2.gz KVQVUKNQMUWBHA-MSOLQXFVSA-N 1 2 372.538 3.944 10 0 FHAELO CCNc1ccc(COc2cccc(I)c2)c[nH+]1 ZINC000050832807 221033892 /nfs/dbraw/zinc/03/38/92/221033892.db2.gz OBVAMWRWZKMEBN-UHFFFAOYSA-N 1 2 354.191 3.697 10 0 FHAELO Fc1ccc(-c2noc3c2C[N@H+](CCn2cc(Cl)cn2)CC3)cc1F ZINC000067908749 221304017 /nfs/dbraw/zinc/30/40/17/221304017.db2.gz UYQJGBICWGBYJQ-UHFFFAOYSA-N 1 2 364.783 3.528 10 0 FHAELO Fc1ccc(-c2noc3c2C[N@@H+](CCn2cc(Cl)cn2)CC3)cc1F ZINC000067908749 221304020 /nfs/dbraw/zinc/30/40/20/221304020.db2.gz UYQJGBICWGBYJQ-UHFFFAOYSA-N 1 2 364.783 3.528 10 0 FHAELO O[C@@H]1CCN(c2[nH+]c3ccccc3n2Cc2ccc(Cl)cc2Cl)C1 ZINC000095077702 221844565 /nfs/dbraw/zinc/84/45/65/221844565.db2.gz CYDXWSUOYLCVIE-CQSZACIVSA-N 1 2 362.260 3.962 10 0 FHAELO O=C(CC1=CSC2=[NH+]CCCN12)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000102805433 222308686 /nfs/dbraw/zinc/30/86/86/222308686.db2.gz UCYOUXKQCVHHFV-QGZVFWFLSA-N 1 2 359.470 3.919 10 0 FHAELO c1cc(N2CCCC2)ncc1CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000328648419 534471871 /nfs/dbraw/zinc/47/18/71/534471871.db2.gz UMWJSAJUVOUMPU-LJQANCHMSA-N 1 2 351.498 3.621 10 0 FHAELO c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000328648419 534471880 /nfs/dbraw/zinc/47/18/80/534471880.db2.gz UMWJSAJUVOUMPU-LJQANCHMSA-N 1 2 351.498 3.621 10 0 FHAELO c1cc(N2CCCC2)ncc1C[N@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000328648419 534471886 /nfs/dbraw/zinc/47/18/86/534471886.db2.gz UMWJSAJUVOUMPU-LJQANCHMSA-N 1 2 351.498 3.621 10 0 FHAELO Cc1nc([C@@H](C)N(C)C(=O)c2cnc(C[NH+]3CCCC3)s2)c(C)s1 ZINC000082134516 527024782 /nfs/dbraw/zinc/02/47/82/527024782.db2.gz UKAFIYUTPKULGJ-LLVKDONJSA-N 1 2 364.540 3.645 10 0 FHAELO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN1Cc1[nH]cc[nH+]1 ZINC000012300159 568103643 /nfs/dbraw/zinc/10/36/43/568103643.db2.gz QKUCTHIFVJJIRO-IBGZPJMESA-N 1 2 364.424 3.819 10 0 FHAELO CC[C@H]1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)C1 ZINC000128674825 568149336 /nfs/dbraw/zinc/14/93/36/568149336.db2.gz FRHICSXNZLCVHI-IRXDYDNUSA-N 1 2 364.559 3.638 10 0 FHAELO CC[C@H]1CCC[C@H](NC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)C1 ZINC000128674825 568149337 /nfs/dbraw/zinc/14/93/37/568149337.db2.gz FRHICSXNZLCVHI-IRXDYDNUSA-N 1 2 364.559 3.638 10 0 FHAELO Cc1ccc(NC(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)c(Cl)c1 ZINC000224143743 571193092 /nfs/dbraw/zinc/19/30/92/571193092.db2.gz KPLOXCBSKCDQKH-UHFFFAOYSA-N 1 2 374.876 3.749 10 0 FHAELO CCOC(=O)c1ccc(-c2[nH]c3ccc(N)c(Br)c3[nH+]2)cc1 ZINC000078400749 571215951 /nfs/dbraw/zinc/21/59/51/571215951.db2.gz HACACZQNCVTKIR-UHFFFAOYSA-N 1 2 360.211 3.751 10 0 FHAELO COc1ccc([C@H](C)NC(=O)c2cc3c(s2)C[N@@H+](C2CC2)C3)cc1OC ZINC000065238903 221184905 /nfs/dbraw/zinc/18/49/05/221184905.db2.gz QFULAWZACSOLEV-LBPRGKRZSA-N 1 2 372.490 3.734 10 0 FHAELO COc1ccc([C@H](C)NC(=O)c2cc3c(s2)C[N@H+](C2CC2)C3)cc1OC ZINC000065238903 221184908 /nfs/dbraw/zinc/18/49/08/221184908.db2.gz QFULAWZACSOLEV-LBPRGKRZSA-N 1 2 372.490 3.734 10 0 FHAELO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@@H]2C)cc1 ZINC000226253254 132249972 /nfs/dbraw/zinc/24/99/72/132249972.db2.gz WFTHKCMOVASYCV-INIZCTEOSA-N 1 2 353.466 3.974 10 0 FHAELO Cc1ccc(OCC(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000226253254 132249975 /nfs/dbraw/zinc/24/99/75/132249975.db2.gz WFTHKCMOVASYCV-INIZCTEOSA-N 1 2 353.466 3.974 10 0 FHAELO Cc1cc(C)cc(NC(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)c1 ZINC000224145916 132281819 /nfs/dbraw/zinc/28/18/19/132281819.db2.gz BIMSKTZRURDWMZ-UHFFFAOYSA-N 1 2 368.485 3.794 10 0 FHAELO Cc1c2ccccc2oc1-c1nnc2sc(C[NH+]3CCCCC3)nn21 ZINC000096194441 222072388 /nfs/dbraw/zinc/07/23/88/222072388.db2.gz XLUFAZPKJJYBIQ-UHFFFAOYSA-N 1 2 353.451 3.893 10 0 FHAELO C[C@@H]([NH2+]Cc1nc(=O)c2sccc2[nH]1)c1cccc(Br)c1 ZINC000038012510 263399177 /nfs/dbraw/zinc/39/91/77/263399177.db2.gz YEGLPBKJLNBRSM-SECBINFHSA-N 1 2 364.268 3.598 10 0 FHAELO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)CC1=CCCCC1)CC2 ZINC000275639944 523604060 /nfs/dbraw/zinc/60/40/60/523604060.db2.gz KAHVWKIFBGCJPW-KRWDZBQOSA-N 1 2 359.539 3.847 10 0 FHAELO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)CC1=CCCCC1)CC2 ZINC000275639944 523604071 /nfs/dbraw/zinc/60/40/71/523604071.db2.gz KAHVWKIFBGCJPW-KRWDZBQOSA-N 1 2 359.539 3.847 10 0 FHAELO COc1ccc(F)c(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1OC ZINC000188520662 567856044 /nfs/dbraw/zinc/85/60/44/567856044.db2.gz ZMEOFVXTDYLQAV-CYBMUJFWSA-N 1 2 369.396 3.520 10 0 FHAELO c1c[nH+]c([C@@H](Nc2ccc(Cc3nnc4n3CCC4)cc2)c2ccccc2)[nH]1 ZINC000188584287 567972216 /nfs/dbraw/zinc/97/22/16/567972216.db2.gz QZIKNTKOZPPQTJ-NRFANRHFSA-N 1 2 370.460 3.740 10 0 FHAELO