smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCC[C@@H](SC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000005047910 204188303 /nfs/dbraw/zinc/18/83/03/204188303.db2.gz ZFXCYBWAFFMYAB-LJQANCHMSA-N 1 1 355.503 3.667 40 0 FHABMO CC[NH+](CC)c1ccc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000005236030 204199030 /nfs/dbraw/zinc/19/90/30/204199030.db2.gz VGKZSVLZPMJYLZ-LJQANCHMSA-N 1 1 356.422 3.831 40 0 FHABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3CC3CCCCC3)n2)cn1 ZINC000035426233 204269517 /nfs/dbraw/zinc/26/95/17/204269517.db2.gz UWRHLIHOJUNFMU-KRWDZBQOSA-N 1 1 355.486 3.915 40 0 biogenic,in-vitro FHABMO CC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038858345 205043929 /nfs/dbraw/zinc/04/39/29/205043929.db2.gz HRERUBWYSNPFQB-GOSISDBHSA-N 1 1 354.425 3.879 40 0 FHABMO Cc1ccc(OCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044908873 205114785 /nfs/dbraw/zinc/11/47/85/205114785.db2.gz RUIVEMVTORLTNM-LJQANCHMSA-N 1 1 370.468 3.541 40 0 FHABMO O=C(/C=C/c1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047227917 205144279 /nfs/dbraw/zinc/14/42/79/205144279.db2.gz XJXZVGGZTDDRDN-RMKNXTFCSA-N 1 1 370.880 3.502 40 0 FHABMO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)[C@@H]2C1 ZINC000107249356 206017466 /nfs/dbraw/zinc/01/74/66/206017466.db2.gz LARNIUFPZLBEBH-PZJWPPBQSA-N 1 1 368.908 3.658 40 0 FHABMO COc1ccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4ccc(C)s4)C3)C2)cc1 ZINC000107728478 206024015 /nfs/dbraw/zinc/02/40/15/206024015.db2.gz XNHUGRVAURQNRN-XLIONFOSSA-N 1 1 358.507 3.911 40 0 FHABMO CC1CC[NH+]([C@@H](c2nnnn2CCc2ccccc2)c2ccccc2)CC1 ZINC000001330476 206146535 /nfs/dbraw/zinc/14/65/35/206146535.db2.gz PJXWRIMXWLJDNS-OAQYLSRUSA-N 1 1 361.493 3.737 40 0 FHABMO CC1CC[NH+]([C@@H](c2nnnn2Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000001330467 206147180 /nfs/dbraw/zinc/14/71/80/206147180.db2.gz LYFMDSAICSSWSU-HXUWFJFHSA-N 1 1 365.456 3.682 40 0 FHABMO COc1ccc(S[C@@H](C)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000216206990 206355989 /nfs/dbraw/zinc/35/59/89/206355989.db2.gz QGLPVVUUDCRGQV-BBWFWOEESA-N 1 1 364.555 3.660 40 0 FHABMO CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000216343624 206357754 /nfs/dbraw/zinc/35/77/54/206357754.db2.gz XSNKFQUKBMIOKL-NRFANRHFSA-N 1 1 363.461 3.963 40 0 FHABMO Cc1nc(CO[C@@H]2CCOC3(C[NH+](Cc4ccccc4C)C3)C2)cs1 ZINC000248140767 206570152 /nfs/dbraw/zinc/57/01/52/206570152.db2.gz FMEHJMWTWHMPCS-LJQANCHMSA-N 1 1 358.507 3.710 40 0 FHABMO CC(C)[C@@H](CO)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000329023433 132372799 /nfs/dbraw/zinc/37/27/99/132372799.db2.gz OTJPPXGPJXQYQT-DNVCBOLYSA-N 1 1 366.509 3.734 40 0 FHABMO CC(C)[C@@H](CO)Nc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C2CC2)n1 ZINC000329023433 132372800 /nfs/dbraw/zinc/37/28/00/132372800.db2.gz OTJPPXGPJXQYQT-DNVCBOLYSA-N 1 1 366.509 3.734 40 0 FHABMO CNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329055966 132373167 /nfs/dbraw/zinc/37/31/67/132373167.db2.gz VQBPVSVBUHIRRC-UHFFFAOYSA-N 1 1 364.371 3.857 40 0 FHABMO c1ccc(CNc2nc(N3CCc4ccccc4C3)cc(C3CC3)[nH+]2)cc1 ZINC000329068342 132373344 /nfs/dbraw/zinc/37/33/44/132373344.db2.gz YPUMRUPSBXINQX-UHFFFAOYSA-N 1 1 356.473 3.951 40 0 FHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)C1 ZINC000020493273 524091328 /nfs/dbraw/zinc/09/13/28/524091328.db2.gz RVXXUIKOBBBIOO-INIZCTEOSA-N 1 1 366.461 3.577 40 0 FHABMO CC(C)(O)c1ccc2c(c1)CCN(c1cc[nH+]c(NC3CCCC3)n1)C2 ZINC000329021716 535325452 /nfs/dbraw/zinc/32/54/52/535325452.db2.gz OHRWMYBFRHUEFV-UHFFFAOYSA-N 1 1 352.482 3.621 40 0 FHABMO COc1ccccc1N1CC[NH2+][C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000257313665 537073224 /nfs/dbraw/zinc/07/32/24/537073224.db2.gz UTOLJYJYGDVZDH-OAQYLSRUSA-N 1 1 372.468 3.910 40 0 FHABMO COc1ccc(C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000222948877 568581245 /nfs/dbraw/zinc/58/12/45/568581245.db2.gz RUYHCJRMNKQVIM-UHFFFAOYSA-N 1 1 355.825 3.739 40 0 FHABMO O=C(NCCSC1CCCC1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000223336539 568641752 /nfs/dbraw/zinc/64/17/52/568641752.db2.gz PKKTYSZRHXMNAN-KRWDZBQOSA-N 1 1 364.530 3.830 40 0 FHABMO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)c1 ZINC000096040087 570472703 /nfs/dbraw/zinc/47/27/03/570472703.db2.gz QBORJASJTLBCMH-VQTJNVASSA-N 1 1 358.507 3.731 40 0 FHABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)cs1 ZINC000096040177 570473138 /nfs/dbraw/zinc/47/31/38/570473138.db2.gz ZUGYZQHBLMXGKS-VQTJNVASSA-N 1 1 358.507 3.731 40 0 FHABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)cs1 ZINC000096040229 570473249 /nfs/dbraw/zinc/47/32/49/570473249.db2.gz YPRXXSKNFOKYLV-VQTJNVASSA-N 1 1 358.507 3.731 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)o1 ZINC000096040096 570473267 /nfs/dbraw/zinc/47/32/67/570473267.db2.gz NRNMFJVMMBDKMM-NHCUHLMSSA-N 1 1 356.466 3.571 40 0 FHABMO Cc1ccc(C[NH+]2CCC3(C[C@H](N(C)Cc4ccco4)CO3)CC2)s1 ZINC000096048008 570473575 /nfs/dbraw/zinc/47/35/75/570473575.db2.gz VOCQLLFZGXDCIL-KRWDZBQOSA-N 1 1 360.523 3.905 40 0 FHABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccco3)CC2)N1Cc1cccc(F)c1 ZINC000096047544 570473587 /nfs/dbraw/zinc/47/35/87/570473587.db2.gz WGWQBNVVMOTPSX-OAQYLSRUSA-N 1 1 356.441 3.966 40 0 FHABMO O=C1CC[C@]2(CCC[N@@H+](Cc3cccnc3)CC2)N1Cc1cccc(F)c1 ZINC000096047559 570473936 /nfs/dbraw/zinc/47/39/36/570473936.db2.gz LTSNXKOTWVRVBM-QFIPXVFZSA-N 1 1 367.468 3.768 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)cc1 ZINC000096050872 570474196 /nfs/dbraw/zinc/47/41/96/570474196.db2.gz NPRNLZINQNNDCV-HXUWFJFHSA-N 1 1 356.491 3.694 40 0 FHABMO COc1ccc(CN2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)cc1 ZINC000096049317 570474280 /nfs/dbraw/zinc/47/42/80/570474280.db2.gz SAEWQEMMJPQWQZ-UHFFFAOYSA-N 1 1 351.494 3.721 40 0 FHABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000096058464 570474476 /nfs/dbraw/zinc/47/44/76/570474476.db2.gz OODGUKZXVGZWRP-YADHBBJMSA-N 1 1 352.453 3.590 40 0 FHABMO Cc1cccc(CN2CC[C@@]3(CCC[N@@H+](Cc4ccc(F)cc4)C3)C2=O)n1 ZINC000096048797 570474597 /nfs/dbraw/zinc/47/45/97/570474597.db2.gz UHMVGFGCPGDLFV-JOCHJYFZSA-N 1 1 367.468 3.544 40 0 FHABMO O=C(c1cc2ccccc2[nH]1)N1CC[C@]2(CC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000096076059 570475203 /nfs/dbraw/zinc/47/52/03/570475203.db2.gz HZQKZVWZOIDLLB-QFIPXVFZSA-N 1 1 363.436 3.798 40 0 FHABMO O=C(c1cc2ccccc2[nH]1)N1CC[C@]2(CC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000096076059 570475205 /nfs/dbraw/zinc/47/52/05/570475205.db2.gz HZQKZVWZOIDLLB-QFIPXVFZSA-N 1 1 363.436 3.798 40 0 FHABMO CCOC[C@@H]1CCC2(CCN(Cc3ccc4ccccc4n3)CC2)[N@H+]1C ZINC000096209196 570478989 /nfs/dbraw/zinc/47/89/89/570478989.db2.gz BXIAGOPCYVHJNQ-FQEVSTJZSA-N 1 1 353.510 3.700 40 0 FHABMO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@H+](Cc4cccs4)[C@@H]3C2)n1 ZINC000096250694 570479928 /nfs/dbraw/zinc/47/99/28/570479928.db2.gz RWFYWQODYLASQT-PWIZWCRZSA-N 1 1 358.507 3.648 40 0 FHABMO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@@H+](Cc4cccs4)[C@@H]3C2)n1 ZINC000096250694 570479933 /nfs/dbraw/zinc/47/99/33/570479933.db2.gz RWFYWQODYLASQT-PWIZWCRZSA-N 1 1 358.507 3.648 40 0 FHABMO CN(Cc1ccccc1)[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)CC2CC2)[C@@H]1O ZINC000585261330 570480478 /nfs/dbraw/zinc/48/04/78/570480478.db2.gz NMWOVZBGSSFYKD-WXFUMESZSA-N 1 1 364.533 3.923 40 0 FHABMO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@H+]2C[C@@]1(O)CC[C@H](c2ccccc2)CC1 ZINC000585282942 570493085 /nfs/dbraw/zinc/49/30/85/570493085.db2.gz JZYGRNHKRPQJKQ-VVSUKSJXSA-N 1 1 370.537 3.551 40 0 FHABMO Cc1cc(C)c(C)c(OC[C@]2(O)COCC[N@H+](C3CCCCCC3)C2)c1 ZINC000585282660 570493215 /nfs/dbraw/zinc/49/32/15/570493215.db2.gz MIWYLNWJBLNKBW-JOCHJYFZSA-N 1 1 361.526 3.777 40 0 FHABMO FC(F)(F)c1nc(-c2cccc([C@@H]3CCC[N@@H+](CC4CC4)C3)n2)no1 ZINC000585289485 570495518 /nfs/dbraw/zinc/49/55/18/570495518.db2.gz IFCRBCXXRYWGRZ-GFCCVEGCSA-N 1 1 352.360 3.740 40 0 FHABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216464 570533480 /nfs/dbraw/zinc/53/34/80/570533480.db2.gz BSINKZDALCPDHC-SFHVURJKSA-N 1 1 374.529 3.686 40 0 FHABMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N(C)C)[nH+]c2C)cc1 ZINC000072218778 570534583 /nfs/dbraw/zinc/53/45/83/570534583.db2.gz OVFPZHGCPDTFLX-LJQANCHMSA-N 1 1 373.522 3.680 40 0 FHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC000260449426 570627315 /nfs/dbraw/zinc/62/73/15/570627315.db2.gz SRPCWYIPCBTALJ-IRXDYDNUSA-N 1 1 364.555 3.947 40 0 FHABMO COc1ccc(C2CC[NH+](CC(=O)Nc3nc(C)c(C)s3)CC2)cc1 ZINC000012113930 570719237 /nfs/dbraw/zinc/71/92/37/570719237.db2.gz QNHMVDRAQRWBPM-UHFFFAOYSA-N 1 1 359.495 3.587 40 0 FHABMO FC(F)(F)c1cc([C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129188 570720622 /nfs/dbraw/zinc/72/06/22/570720622.db2.gz OAGWJYMYJUEBIF-CWRNSKLLSA-N 1 1 365.399 3.648 40 0 FHABMO CC(C)Oc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c1 ZINC000012135205 570721123 /nfs/dbraw/zinc/72/11/23/570721123.db2.gz HXWJOPNZFXDJOE-DETIRCLXSA-N 1 1 366.505 3.989 40 0 FHABMO C[C@@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1 ZINC000012144912 570722562 /nfs/dbraw/zinc/72/25/62/570722562.db2.gz ZDJXYZAJHDCBSI-WBVHZDCISA-N 1 1 366.509 3.671 40 0 FHABMO COc1ccc(C[N@H+](Cc2cn(C)c3ccccc23)C[C@@H](C)O)cc1OC ZINC000012147958 570723154 /nfs/dbraw/zinc/72/31/54/570723154.db2.gz OHPIADQBLHDXHG-MRXNPFEDSA-N 1 1 368.477 3.579 40 0 FHABMO COc1cc2c(cc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1)OCO2 ZINC000012187067 570724927 /nfs/dbraw/zinc/72/49/27/570724927.db2.gz BXWUSMNZICOWLG-SFHVURJKSA-N 1 1 373.424 3.744 40 0 FHABMO COc1cc2c(cc1C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1)OCO2 ZINC000012187067 570724928 /nfs/dbraw/zinc/72/49/28/570724928.db2.gz BXWUSMNZICOWLG-SFHVURJKSA-N 1 1 373.424 3.744 40 0 FHABMO COc1cc2c(cc1OC)[C@H](C)[N@H+]([C@@H]1CCCN(C(=O)CC(C)C)C1)CC2 ZINC000012232921 570730437 /nfs/dbraw/zinc/73/04/37/570730437.db2.gz BXLVLBPVMABBGJ-FUHWJXTLSA-N 1 1 374.525 3.660 40 0 FHABMO O[C@H](C[N@@H+]1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012330564 570737182 /nfs/dbraw/zinc/73/71/82/570737182.db2.gz VLKIBWHKOJQQJN-HXUWFJFHSA-N 1 1 369.436 3.810 40 0 FHABMO Cc1nccc(-c2ccc(-c3noc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)n3)cc2)n1 ZINC000012337097 570737646 /nfs/dbraw/zinc/73/76/46/570737646.db2.gz JZXQZQOVXPWKTO-GASCZTMLSA-N 1 1 363.465 3.980 40 0 FHABMO c1csc(-c2nc(N3CC[N@H+]4CCC[C@@H]4C3)ncc2-c2ccccn2)c1 ZINC000013268022 570775976 /nfs/dbraw/zinc/77/59/76/570775976.db2.gz PBHKONYQZRFLEG-OAHLLOKOSA-N 1 1 363.490 3.552 40 0 FHABMO C[C@H](Cc1ccccn1)NC(=O)[C@H](c1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000019496319 570854841 /nfs/dbraw/zinc/85/48/41/570854841.db2.gz SUAITDBMAAHHOH-LQWHRVPQSA-N 1 1 351.494 3.745 40 0 FHABMO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000020490985 570863043 /nfs/dbraw/zinc/86/30/43/570863043.db2.gz DVQKKJLAHZBQCH-IEBWSBKVSA-N 1 1 350.478 3.754 40 0 FHABMO COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@@H+](Cc4cccs4)C[C@@H]32)c1 ZINC000019019460 570879202 /nfs/dbraw/zinc/87/92/02/570879202.db2.gz BOGIHLAIQCHVEQ-NJDAHSKKSA-N 1 1 370.518 3.593 40 0 FHABMO COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)cc1C ZINC000019237848 570883542 /nfs/dbraw/zinc/88/35/42/570883542.db2.gz YSHMFCWQVNMUHN-NOXFTYBFSA-N 1 1 366.505 3.745 40 0 FHABMO Cn1cc([C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)c2ccccc21 ZINC000019290387 570884835 /nfs/dbraw/zinc/88/48/35/570884835.db2.gz XQDIETYEZQTNBI-NRFANRHFSA-N 1 1 369.896 3.687 40 0 FHABMO O=c1cc([C@H]2CCCC[N@H+]2Cc2ccccc2F)nc(-c2cccnc2)[nH]1 ZINC000019349094 570886635 /nfs/dbraw/zinc/88/66/35/570886635.db2.gz JXFVUIMHBPFPDC-LJQANCHMSA-N 1 1 364.424 3.698 40 0 FHABMO O=c1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2F)nc(-c2cccnc2)[nH]1 ZINC000019349094 570886640 /nfs/dbraw/zinc/88/66/40/570886640.db2.gz JXFVUIMHBPFPDC-LJQANCHMSA-N 1 1 364.424 3.698 40 0 FHABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](c3nn(C)c4nccnc34)C2)c1 ZINC000019450873 570889042 /nfs/dbraw/zinc/88/90/42/570889042.db2.gz LOBIIJOYXGJJKQ-QGZVFWFLSA-N 1 1 365.481 3.530 40 0 FHABMO CC(C)CC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019446668 570889141 /nfs/dbraw/zinc/88/91/41/570889141.db2.gz KMJNYABWAOREAR-KNQAVFIVSA-N 1 1 366.509 3.592 40 0 FHABMO CCc1[nH+]ccn1CCC(=O)Nc1nc(-c2ccccc2OC)cs1 ZINC000019523661 570891236 /nfs/dbraw/zinc/89/12/36/570891236.db2.gz BFWAHLBQNNYBDT-UHFFFAOYSA-N 1 1 356.451 3.606 40 0 FHABMO COc1ccc(-c2ccccc2NC(=O)c2noc(C)c2C[NH+](C)C)cc1 ZINC000019663484 570897897 /nfs/dbraw/zinc/89/78/97/570897897.db2.gz MYZFEPBTHZIAIF-UHFFFAOYSA-N 1 1 365.433 3.973 40 0 FHABMO CN(C)c1ncccc1C[N@H+]1CCC[C@@H](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019715721 570900020 /nfs/dbraw/zinc/90/00/20/570900020.db2.gz YODFCZRDNAFUKR-HNNXBMFYSA-N 1 1 367.472 3.618 40 0 FHABMO CN(C)c1ncccc1C[N@@H+]1CCC[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000019715721 570900022 /nfs/dbraw/zinc/90/00/22/570900022.db2.gz YODFCZRDNAFUKR-HNNXBMFYSA-N 1 1 367.472 3.618 40 0 FHABMO CN(C)c1ncccc1C[N@H+]1CCC[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000019715721 570900024 /nfs/dbraw/zinc/90/00/24/570900024.db2.gz YODFCZRDNAFUKR-HNNXBMFYSA-N 1 1 367.472 3.618 40 0 FHABMO COC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020037683 570909055 /nfs/dbraw/zinc/90/90/55/570909055.db2.gz AUHSZDQJJDKBSU-MRXNPFEDSA-N 1 1 366.461 3.957 40 0 FHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CSc1ccc(OC)cc1 ZINC000020484455 570917477 /nfs/dbraw/zinc/91/74/77/570917477.db2.gz VCQPYPITGCYIQB-MRXNPFEDSA-N 1 1 350.528 3.558 40 0 FHABMO Cc1ccnc(NC(=S)NCCNc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000225227426 571023128 /nfs/dbraw/zinc/02/31/28/571023128.db2.gz BGLXXHJIBLJQQP-UHFFFAOYSA-N 1 1 371.897 3.990 40 0 FHABMO c1ccc([C@H]2C[N@H+](CC3CC3)Cc3cnc(Nc4cccnc4)nc32)cc1 ZINC000306136311 571039601 /nfs/dbraw/zinc/03/96/01/571039601.db2.gz PPRLEBZDZMSIHX-HXUWFJFHSA-N 1 1 357.461 3.973 40 0 FHABMO O=C1c2cccn2[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2N1Cc1ccccc1 ZINC000306137649 571040453 /nfs/dbraw/zinc/04/04/53/571040453.db2.gz RCKKTKNZQWLFJP-DHIUTWEWSA-N 1 1 371.484 3.612 40 0 FHABMO c1ccc(CN2C[C@@]3(CC[N@@H+](Cc4ccccn4)C3)c3ncccc32)cc1 ZINC000306136813 571040500 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3.680 40 0 FHABMO COc1ccc(-c2[nH+]c3ccc(C)cn3c2NC[C@H]2CCCO2)c(OC)c1 ZINC000000883974 206138292 /nfs/dbraw/zinc/13/82/92/206138292.db2.gz RHQLFKZLSWGKHK-MRXNPFEDSA-N 1 1 367.449 3.918 40 0 FHABMO O=C(NCC[N@H+](Cc1ccccc1)Cc1ccccn1)c1cccs1 ZINC000013991082 206307198 /nfs/dbraw/zinc/30/71/98/206307198.db2.gz QCAROJUCGFTOGH-UHFFFAOYSA-N 1 1 351.475 3.575 40 0 FHABMO O=C(NCC[N@@H+](Cc1ccccc1)Cc1ccccn1)c1cccs1 ZINC000013991082 206307202 /nfs/dbraw/zinc/30/72/02/206307202.db2.gz QCAROJUCGFTOGH-UHFFFAOYSA-N 1 1 351.475 3.575 40 0 FHABMO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000060322501 221128894 /nfs/dbraw/zinc/12/88/94/221128894.db2.gz SEHPSHMJMMMWLS-AWEZNQCLSA-N 1 1 367.331 3.822 40 0 FHABMO Cc1cc(N2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)nc(C)[nH+]1 ZINC000257225229 132294916 /nfs/dbraw/zinc/29/49/16/132294916.db2.gz FFJOXTRNNPLTCQ-NRFANRHFSA-N 1 1 360.461 3.657 40 0 FHABMO Cc1cc(N2CCO[C@H](c3cccc(Cc4ccccc4C)n3)C2)nc(C)[nH+]1 ZINC000257282179 132296460 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571127910 /nfs/dbraw/zinc/12/79/10/571127910.db2.gz VMXWFGDFSHZRGR-RTWAWAEBSA-N 1 1 356.466 3.571 40 0 FHABMO NC(=O)O[C@@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)[C@H]2CCCC[C@@H]12 ZINC000256000355 571147927 /nfs/dbraw/zinc/14/79/27/571147927.db2.gz RVPQELWEPXXXPC-ZIFCJYIRSA-N 1 1 362.445 3.517 40 0 FHABMO c1n[nH]cc1-c1cccc([C@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)n1 ZINC000257252431 571154432 /nfs/dbraw/zinc/15/44/32/571154432.db2.gz JUTJZLDISSAYOL-JOCHJYFZSA-N 1 1 371.444 3.593 40 0 FHABMO c1n[nH]cc1-c1cccc([C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)n1 ZINC000257252431 571154435 /nfs/dbraw/zinc/15/44/35/571154435.db2.gz JUTJZLDISSAYOL-JOCHJYFZSA-N 1 1 371.444 3.593 40 0 FHABMO O=C1CCC[C@]2(C[N@@H+](Cc3ccc4[nH]ccc4c3)C[C@H]2c2ccccc2)N1 ZINC000257294636 571159061 /nfs/dbraw/zinc/15/90/61/571159061.db2.gz QVADXEZAQFKXCK-NZQKXSOJSA-N 1 1 359.473 3.806 40 0 FHABMO CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCC[N@@H+]2Cc1coc(C)n1 ZINC000257308950 571160392 /nfs/dbraw/zinc/16/03/92/571160392.db2.gz 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CCc1nccn1-c1cncc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072355446 571182452 /nfs/dbraw/zinc/18/24/52/571182452.db2.gz CETDDNMVAWAZNZ-KRWDZBQOSA-N 1 1 365.456 3.743 40 0 FHABMO CC(=O)N1CCC([N@H+]2CCC[C@H]2c2cccc(Cc3ccccc3)n2)CC1 ZINC000072358185 571183197 /nfs/dbraw/zinc/18/31/97/571183197.db2.gz LAONGVPNLUKESG-QHCPKHFHSA-N 1 1 363.505 3.820 40 0 FHABMO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@H+]1CC1CC1 ZINC000072370283 571184967 /nfs/dbraw/zinc/18/49/67/571184967.db2.gz MOMLBOTWLHMPOW-INIZCTEOSA-N 1 1 372.534 3.694 40 0 FHABMO CCc1nccn1-c1cncc([C@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072378679 571186905 /nfs/dbraw/zinc/18/69/05/571186905.db2.gz DIBQYDIKLAHLMN-HXUWFJFHSA-N 1 1 361.493 3.994 40 0 FHABMO c1ccc(CCC[N@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377924 571186999 /nfs/dbraw/zinc/18/69/99/571186999.db2.gz NUWVSEHCDVMSJX-IBGZPJMESA-N 1 1 374.492 3.822 40 0 FHABMO c1ccc(CCC[N@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377920 571187044 /nfs/dbraw/zinc/18/70/44/571187044.db2.gz YDQXVJKMVQUFIE-LJQANCHMSA-N 1 1 360.465 3.780 40 0 FHABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)cc1 ZINC000072389948 571189309 /nfs/dbraw/zinc/18/93/09/571189309.db2.gz OQTDWUVSQSGBCP-QGZVFWFLSA-N 1 1 350.422 3.520 40 0 FHABMO Fc1cccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)c1F ZINC000072389966 571189336 /nfs/dbraw/zinc/18/93/36/571189336.db2.gz GONSLVPZOVYTCP-OAHLLOKOSA-N 1 1 356.376 3.789 40 0 FHABMO Fc1cccc(C[N@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)c1F ZINC000072389997 571189718 /nfs/dbraw/zinc/18/97/18/571189718.db2.gz ARSJRGNFGPCZRP-HNNXBMFYSA-N 1 1 356.376 3.789 40 0 FHABMO COc1cccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000072391144 571189948 /nfs/dbraw/zinc/18/99/48/571189948.db2.gz LKDBJCQMQBTHQH-NJDAHSKKSA-N 1 1 368.452 3.537 40 0 FHABMO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2cccs2)Cc2ccncc2)on1 ZINC000072395062 571190287 /nfs/dbraw/zinc/19/02/87/571190287.db2.gz PHVCCKKMEJPVCX-YLJYHZDGSA-N 1 1 369.490 3.699 40 0 FHABMO COCc1ccc(C[N@H+]2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)o1 ZINC000072396703 571190770 /nfs/dbraw/zinc/19/07/70/571190770.db2.gz ZAQLWJDCGYHEKV-ZDUSSCGKSA-N 1 1 374.466 3.621 40 0 FHABMO c1csc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccsc4)C2)OC3)c1 ZINC000306124570 571213187 /nfs/dbraw/zinc/21/31/87/571213187.db2.gz BTSNDIUTSMGAMG-GOSISDBHSA-N 1 1 357.504 3.848 40 0 FHABMO O=C1CC[C@]2(CCC[N@@H+](Cc3cccnc3)CC2)N1Cc1ccc(F)cc1 ZINC000585100553 571221293 /nfs/dbraw/zinc/22/12/93/571221293.db2.gz NHKPEQDTSBTUED-QFIPXVFZSA-N 1 1 367.468 3.768 40 0 FHABMO O=C(c1ccncc1)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100697 571221428 /nfs/dbraw/zinc/22/14/28/571221428.db2.gz TWTOOAJMPTWONU-QFIPXVFZSA-N 1 1 367.468 3.882 40 0 FHABMO COc1cccc2cc(C(=O)N3CCC[C@@]4(CC[N@H+]4CC(C)C)C3)oc21 ZINC000585102056 571222124 /nfs/dbraw/zinc/22/21/24/571222124.db2.gz OWJAYCFOUXXANQ-OAQYLSRUSA-N 1 1 356.466 3.778 40 0 FHABMO Cc1ncc(C[N@@H+]2CC[C@]23CCCN(C(=O)CCc2ccccc2)C3)s1 ZINC000585101798 571222206 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3.804 40 0 FHABMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C2CCCC2)C1 ZINC000012291628 571303448 /nfs/dbraw/zinc/30/34/48/571303448.db2.gz DWGDIURVIOMZOG-VGOFRKELSA-N 1 1 370.537 3.921 40 0 FHABMO CC(=O)N1Cc2ccccc2O[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(C)o3)C2)C1 ZINC000019216603 571303814 /nfs/dbraw/zinc/30/38/14/571303814.db2.gz WXDOUYDZPYTWSA-XMSQKQJNSA-N 1 1 368.477 3.610 40 0 FHABMO C[C@@H](CC[N@H+]1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1)c1ccccc1 ZINC000019455608 571303959 /nfs/dbraw/zinc/30/39/59/571303959.db2.gz WTNDVPBYVSXRMO-FXAWDEMLSA-N 1 1 374.488 3.815 40 0 FHABMO c1cc(-c2ccc([C@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)nc2)n[nH]1 ZINC000019693653 571304282 /nfs/dbraw/zinc/30/42/82/571304282.db2.gz MWYMLEDDKNLBPY-JOCHJYFZSA-N 1 1 371.444 3.593 40 0 FHABMO c1cc(-c2ccc([C@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)nc2)n[nH]1 ZINC000019693653 571304284 /nfs/dbraw/zinc/30/42/84/571304284.db2.gz MWYMLEDDKNLBPY-JOCHJYFZSA-N 1 1 371.444 3.593 40 0 FHABMO Cc1ncc(C[N@H+]2CC[C@H](c3cc(COc4ccccc4)[nH]n3)C2)s1 ZINC000019704288 571304451 /nfs/dbraw/zinc/30/44/51/571304451.db2.gz MBJNDXMGPFHYJO-HNNXBMFYSA-N 1 1 354.479 3.743 40 0 FHABMO Cc1ncc(C[N@@H+]2CC[C@H](c3cc(COc4ccccc4)n[nH]3)C2)s1 ZINC000019704288 571304452 /nfs/dbraw/zinc/30/44/52/571304452.db2.gz MBJNDXMGPFHYJO-HNNXBMFYSA-N 1 1 354.479 3.743 40 0 FHABMO Cc1ncc(C[N@H+]2CC[C@H](c3cc(COc4ccccc4)n[nH]3)C2)s1 ZINC000019704288 571304454 /nfs/dbraw/zinc/30/44/54/571304454.db2.gz MBJNDXMGPFHYJO-HNNXBMFYSA-N 1 1 354.479 3.743 40 0 FHABMO CC[N@@H+](C)[C@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000019704929 571304621 /nfs/dbraw/zinc/30/46/21/571304621.db2.gz XRINXNSRRUSNGA-LJQANCHMSA-N 1 1 357.498 3.514 40 0 FHABMO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000020110147 571304837 /nfs/dbraw/zinc/30/48/37/571304837.db2.gz IFJFHGQVMURPJP-YLJYHZDGSA-N 1 1 362.514 3.623 40 0 FHABMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1nc(Cl)nc2[nH]ccc21 ZINC000034850198 571306193 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40 0 FHABMO COc1ccc(S[C@H](C)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044847791 205111207 /nfs/dbraw/zinc/11/12/07/205111207.db2.gz QGLPVVUUDCRGQV-IXDOHACOSA-N 1 1 364.555 3.660 40 0 FHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CSCc1ccc(F)cc1 ZINC000044899986 205113084 /nfs/dbraw/zinc/11/30/84/205113084.db2.gz JLVGFYLSRBOWKS-GOSISDBHSA-N 1 1 352.519 3.830 40 0 FHABMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000047539902 205148572 /nfs/dbraw/zinc/14/85/72/205148572.db2.gz JIMBPXAIJPCZGA-UHFFFAOYSA-N 1 1 369.303 3.938 40 0 FHABMO c1csc(NC[C@H]2CO[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)n1 ZINC000107790676 206023044 /nfs/dbraw/zinc/02/30/44/206023044.db2.gz ODTCPRFBVSPXNF-AZUAARDMSA-N 1 1 357.523 3.669 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@]3(C[C@@H](Nc4ccc(OC)cc4)CO3)C2)cc1 ZINC000107728510 206023334 /nfs/dbraw/zinc/02/33/34/206023334.db2.gz FTYOTOMNKQDXBK-KNQAVFIVSA-N 1 1 368.477 3.549 40 0 FHABMO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccc(N(C)C)cc4)o3)C2)o1 ZINC000049170220 206087209 /nfs/dbraw/zinc/08/72/09/206087209.db2.gz RZWVETKNVVLMJC-INIZCTEOSA-N 1 1 352.438 3.694 40 0 biogenic,in-vitro FHABMO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])c(C[NH+]3CCCCC3)coc1=O)C2 ZINC000100797369 206225460 /nfs/dbraw/zinc/22/54/60/206225460.db2.gz BGMYQYRUPAWSIA-JTSKRJEESA-N 1 1 374.525 3.732 40 0 FHABMO COc1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc(OC)c1OC ZINC000013993289 206307667 /nfs/dbraw/zinc/30/76/67/206307667.db2.gz HDJYFTBSBDFGED-LJQANCHMSA-N 1 1 371.477 3.894 40 0 FHABMO CC(=O)N1Cc2ccccc2O[C@H]([C@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)C1 ZINC000019019658 206325241 /nfs/dbraw/zinc/32/52/41/206325241.db2.gz QMGLMUCBHRPOGI-JTAQYXEDSA-N 1 1 368.521 3.864 40 0 FHABMO C[N@H+]1CCC[C@@]2(C)[C@@H]1CCCCN2C(=O)c1cccnc1-c1cncs1 ZINC000257218619 206601529 /nfs/dbraw/zinc/60/15/29/206601529.db2.gz DDUUGXDIZUXLQP-PXNSSMCTSA-N 1 1 370.522 3.684 40 0 FHABMO CC(C)c1nc(N[C@H](CO)C(C)C)cc(N2CCc3ccccc3C2)[nH+]1 ZINC000329010838 132372646 /nfs/dbraw/zinc/37/26/46/132372646.db2.gz MCHLZHDREUEADJ-GOSISDBHSA-N 1 1 354.498 3.592 40 0 FHABMO CC(C)c1nc(N2Cc3ccccc3CC2(C)C)cc(N[C@H](C)CO)[nH+]1 ZINC000329038037 132372697 /nfs/dbraw/zinc/37/26/97/132372697.db2.gz RQWFKJIEWVQOTR-OAHLLOKOSA-N 1 1 354.498 3.734 40 0 FHABMO CC(C)c1nc(N[C@H](C)CO)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000329038037 132372698 /nfs/dbraw/zinc/37/26/98/132372698.db2.gz RQWFKJIEWVQOTR-OAHLLOKOSA-N 1 1 354.498 3.734 40 0 FHABMO CC(C)c1nc(NC2CC2)cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]1 ZINC000329031749 132372721 /nfs/dbraw/zinc/37/27/21/132372721.db2.gz QKYGIMIDLKLOPM-UHFFFAOYSA-N 1 1 366.509 3.964 40 0 FHABMO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000028295292 132374278 /nfs/dbraw/zinc/37/42/78/132374278.db2.gz JQJXRRKGMGEABU-SFHVURJKSA-N 1 1 372.484 3.511 40 0 FHABMO Cc1nc([C@@H]2CCC[N@@H+]2CC(C)C)nc2c1CCCN2Cc1ccccn1 ZINC000072373746 136144746 /nfs/dbraw/zinc/14/47/46/136144746.db2.gz XKGWUOXOLPNKQB-FQEVSTJZSA-N 1 1 365.525 3.926 40 0 FHABMO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 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Cc1ccsc1C[N@H+](CCNC(=O)c1cccs1)Cc1ccccn1 ZINC000013991087 571191511 /nfs/dbraw/zinc/19/15/11/571191511.db2.gz QQCCDNVFJLFLTH-UHFFFAOYSA-N 1 1 371.531 3.945 40 0 FHABMO Cc1ccsc1C[N@@H+](CCNC(=O)c1cccs1)Cc1ccccn1 ZINC000013991087 571191514 /nfs/dbraw/zinc/19/15/14/571191514.db2.gz QQCCDNVFJLFLTH-UHFFFAOYSA-N 1 1 371.531 3.945 40 0 FHABMO c1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cs1 ZINC000306131200 571213938 /nfs/dbraw/zinc/21/39/38/571213938.db2.gz JYMUFVAGKOTXGC-QGZVFWFLSA-N 1 1 367.522 3.771 40 0 FHABMO Cc1ncc(C[N@@H+]2CC[C@]23CCCN(C(=O)C2(C)CCCCC2)C3)s1 ZINC000585101734 571222132 /nfs/dbraw/zinc/22/21/32/571222132.db2.gz CJHKZLXHBGQSEW-FQEVSTJZSA-N 1 1 361.555 3.989 40 0 FHABMO Cc1ncc(C[N@H+]2CC[C@]23CCCN(C(=O)C2(C)CCCCC2)C3)s1 ZINC000585101734 571222135 /nfs/dbraw/zinc/22/21/35/571222135.db2.gz CJHKZLXHBGQSEW-FQEVSTJZSA-N 1 1 361.555 3.989 40 0 FHABMO Clc1cccc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)c1 ZINC000585105365 571223774 /nfs/dbraw/zinc/22/37/74/571223774.db2.gz VDHIIPZQDFVJPP-SFHVURJKSA-N 1 1 367.942 3.843 40 0 FHABMO Cc1cccc(CO[C@H]2CCOC3(C[NH+](Cc4ccccc4C)C3)C2)n1 ZINC000585105221 571224443 /nfs/dbraw/zinc/22/44/43/571224443.db2.gz QQSIXZZCIITWHO-NRFANRHFSA-N 1 1 352.478 3.649 40 0 FHABMO C[C@@H]1C[C@@H](C)CN(C(=O)c2nc3c(o2)CC[N@H+](CC2CCCCC2)C3)C1 ZINC000585112727 571226259 /nfs/dbraw/zinc/22/62/59/571226259.db2.gz UMNZHQDPLBNDIR-HZPDHXFCSA-N 1 1 359.514 3.731 40 0 FHABMO C[C@@H]1C[C@@H](C)CN(C(=O)c2nc3c(o2)CC[N@@H+](CC2CCCCC2)C3)C1 ZINC000585112727 571226261 /nfs/dbraw/zinc/22/62/61/571226261.db2.gz UMNZHQDPLBNDIR-HZPDHXFCSA-N 1 1 359.514 3.731 40 0 FHABMO c1cn(-c2cncc([C@@H]3CCC[N@H+](Cc4ccc5[nH]ccc5c4)C3)n2)cn1 ZINC000585169382 571237294 /nfs/dbraw/zinc/23/72/94/571237294.db2.gz JCBRASZYTZHKHC-GOSISDBHSA-N 1 1 358.449 3.523 40 0 FHABMO O=C(N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000238943731 571281737 /nfs/dbraw/zinc/28/17/37/571281737.db2.gz WFTRZNFLHXJZFU-NIRMEOIISA-N 1 1 364.533 3.862 40 0 FHABMO FC(F)(F)c1cccc(-c2nccnc2[C@@H]2C[N@H+](CC3CC3)CCO2)c1 ZINC000019693090 571304330 /nfs/dbraw/zinc/30/43/30/571304330.db2.gz DNLXRZHVPNIQFU-INIZCTEOSA-N 1 1 363.383 3.946 40 0 FHABMO FC(F)(F)c1cccc(-c2nccnc2[C@@H]2C[N@@H+](CC3CC3)CCO2)c1 ZINC000019693090 571304332 /nfs/dbraw/zinc/30/43/32/571304332.db2.gz DNLXRZHVPNIQFU-INIZCTEOSA-N 1 1 363.383 3.946 40 0 FHABMO CCOc1cc([C@H]([NH3+])c2nc(-c3ccccc3Cl)n[nH]2)ccc1OC ZINC000095534426 571331499 /nfs/dbraw/zinc/33/14/99/571331499.db2.gz PGYGWCUGNFNEEO-INIZCTEOSA-N 1 1 358.829 3.581 40 0 FHABMO CCOC(=O)N1CC[NH+](CCCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000004429334 204138663 /nfs/dbraw/zinc/13/86/63/204138663.db2.gz LSKSYTSZWKVWMI-UHFFFAOYSA-N 1 1 362.514 3.917 40 0 FHABMO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(C)cc3)n2)cn1 ZINC000035425882 204262954 /nfs/dbraw/zinc/26/29/54/204262954.db2.gz AUOKKNKBNLENJU-KRWDZBQOSA-N 1 1 350.422 3.786 40 0 biogenic,in-vitro FHABMO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(C)cc3)n2)cn1 ZINC000035425882 204262959 /nfs/dbraw/zinc/26/29/59/204262959.db2.gz AUOKKNKBNLENJU-KRWDZBQOSA-N 1 1 350.422 3.786 40 0 biogenic,in-vitro FHABMO Cc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(N(C)C)nc3)no2)cc1 ZINC000035426278 204270563 /nfs/dbraw/zinc/27/05/63/204270563.db2.gz GZGBIKBNCDJBEU-SFHVURJKSA-N 1 1 363.465 3.843 40 0 biogenic,in-vitro FHABMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(N(C)C)nc3)no2)cc1 ZINC000035426278 204270568 /nfs/dbraw/zinc/27/05/68/204270568.db2.gz GZGBIKBNCDJBEU-SFHVURJKSA-N 1 1 363.465 3.843 40 0 biogenic,in-vitro FHABMO CC1(C)[C@H](Cc2cc(CN3CCCCC3)on2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000067890119 204315094 /nfs/dbraw/zinc/31/50/94/204315094.db2.gz SYJWPAQOEJEPJR-UTKZUKDTSA-N 1 1 368.525 3.803 40 0 biogenic,in-vitro FHABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(OC)c(OC)c1)Cc1ccccn1 ZINC000019527126 204687271 /nfs/dbraw/zinc/68/72/71/204687271.db2.gz IYYOJVLSGIZSOZ-FQEVSTJZSA-N 1 1 369.509 3.585 40 0 FHABMO COC(=O)c1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000038753046 205041497 /nfs/dbraw/zinc/04/14/97/205041497.db2.gz MQMMKZGJTVDXMR-INIZCTEOSA-N 1 1 366.461 3.957 40 0 FHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1 ZINC000044852985 205112665 /nfs/dbraw/zinc/11/26/65/205112665.db2.gz JWBGGJFSIVSUKV-QGZVFWFLSA-N 1 1 363.461 3.746 40 0 FHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 ZINC000044852987 205113652 /nfs/dbraw/zinc/11/36/52/205113652.db2.gz JWBGGJFSIVSUKV-KRWDZBQOSA-N 1 1 363.461 3.746 40 0 FHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCN(C)c3ccccc3)cc2)C1 ZINC000044916928 205114624 /nfs/dbraw/zinc/11/46/24/205114624.db2.gz MRZKCADAHLSHCG-LJQANCHMSA-N 1 1 365.521 3.785 40 0 FHABMO CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000044904649 205115184 /nfs/dbraw/zinc/11/51/84/205115184.db2.gz UBDNOOFGAKXCDZ-FQEVSTJZSA-N 1 1 367.424 3.794 40 0 FHABMO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072345954 205513616 /nfs/dbraw/zinc/51/36/16/205513616.db2.gz OEHXYXMMEAGTNM-QGZVFWFLSA-N 1 1 363.440 3.640 40 0 FHABMO Cc1cccc(C(=O)N2CC[C@@H]([N@H+](C)C(C)C)[C@@H]2Cc2ccccc2)n1 ZINC000096061674 205813470 /nfs/dbraw/zinc/81/34/70/205813470.db2.gz KGHPZGSVIJYEJR-RTWAWAEBSA-N 1 1 351.494 3.556 40 0 FHABMO COC[C@@H]1CCC2(CCN(C(=O)c3csc4ccccc34)CC2)[N@H+]1C ZINC000096207883 205853389 /nfs/dbraw/zinc/85/33/89/205853389.db2.gz RDGQFFZMGGWFCP-HNNXBMFYSA-N 1 1 358.507 3.617 40 0 FHABMO c1[nH]c2ccccc2c1Cc1nnc([C@H]2CC[N@H+](Cc3cccnc3)C2)o1 ZINC000049169775 206085982 /nfs/dbraw/zinc/08/59/82/206085982.db2.gz MFYOWSCIQVUAMT-INIZCTEOSA-N 1 1 359.433 3.526 40 0 biogenic,in-vitro FHABMO COc1ccccc1C[N@H+](Cc1ccc(O)c(OC)c1)C[C@@H]1CCCO1 ZINC000013995116 206307746 /nfs/dbraw/zinc/30/77/46/206307746.db2.gz WCEIINAPCIWBDH-SFHVURJKSA-N 1 1 357.450 3.591 40 0 FHABMO COc1ccccc1C[N@@H+](Cc1ccc(O)c(OC)c1)C[C@@H]1CCCO1 ZINC000013995116 206307749 /nfs/dbraw/zinc/30/77/49/206307749.db2.gz WCEIINAPCIWBDH-SFHVURJKSA-N 1 1 357.450 3.591 40 0 FHABMO C[C@@H]1CN(Cc2ccccc2F)CC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000057731467 206388872 /nfs/dbraw/zinc/38/88/72/206388872.db2.gz GTJCANRNFDUFEI-QGZVFWFLSA-N 1 1 352.453 3.808 40 0 FHABMO C[C@@H]1CN(Cc2ccccc2F)CC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000057731467 206388874 /nfs/dbraw/zinc/38/88/74/206388874.db2.gz GTJCANRNFDUFEI-QGZVFWFLSA-N 1 1 352.453 3.808 40 0 FHABMO C[C@@H]1C[N@H+](Cc2ccccc2F)CCN1CC1=Cc2ccccc2OC1 ZINC000057731467 206388877 /nfs/dbraw/zinc/38/88/77/206388877.db2.gz GTJCANRNFDUFEI-QGZVFWFLSA-N 1 1 352.453 3.808 40 0 FHABMO C[C@@H]1C[N@@H+](Cc2ccccc2F)CCN1CC1=Cc2ccccc2OC1 ZINC000057731467 206388882 /nfs/dbraw/zinc/38/88/82/206388882.db2.gz GTJCANRNFDUFEI-QGZVFWFLSA-N 1 1 352.453 3.808 40 0 FHABMO Cc1cc(N2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)nc(C)[nH+]1 ZINC000257225230 132294938 /nfs/dbraw/zinc/29/49/38/132294938.db2.gz FFJOXTRNNPLTCQ-OAQYLSRUSA-N 1 1 360.461 3.657 40 0 FHABMO COc1cc2c(cc1OC)CN(c1cc(NC(C)C)[nH+]c(C3CC3)n1)CC2 ZINC000328980793 132372095 /nfs/dbraw/zinc/37/20/95/132372095.db2.gz GPKUJAPSBRJQBB-UHFFFAOYSA-N 1 1 368.481 3.754 40 0 FHABMO COc1cc2c(cc1OC)CN(c1cc(NC(C)C)nc(C3CC3)[nH+]1)CC2 ZINC000328980793 132372096 /nfs/dbraw/zinc/37/20/96/132372096.db2.gz GPKUJAPSBRJQBB-UHFFFAOYSA-N 1 1 368.481 3.754 40 0 FHABMO Cc1nc(NC2CC2)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000329050060 132373063 /nfs/dbraw/zinc/37/30/63/132373063.db2.gz USMZRNDOQUGQHX-UHFFFAOYSA-N 1 1 359.271 3.685 40 0 FHABMO COc1ccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020488633 524066168 /nfs/dbraw/zinc/06/61/68/524066168.db2.gz UUAORFVPEMTLKU-QGZVFWFLSA-N 1 1 352.478 3.857 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSc2ccc(C)cc2)cc1 ZINC000020046197 527369473 /nfs/dbraw/zinc/36/94/73/527369473.db2.gz MOMNPKLPAUGTLQ-UHFFFAOYSA-N 1 1 351.475 3.898 40 0 FHABMO F[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1OCc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000096112253 560060737 /nfs/dbraw/zinc/06/07/37/560060737.db2.gz ANLHVKXHTIGBRS-DOMZBBRYSA-N 1 1 357.351 3.531 40 0 biogenic,in-vitro FHABMO F[C@@H]1C[N@H+](CC2CC2)C[C@@H]1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000096112253 560060741 /nfs/dbraw/zinc/06/07/41/560060741.db2.gz ANLHVKXHTIGBRS-DOMZBBRYSA-N 1 1 357.351 3.531 40 0 biogenic,in-vitro FHABMO F[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000096112253 560060743 /nfs/dbraw/zinc/06/07/43/560060743.db2.gz ANLHVKXHTIGBRS-DOMZBBRYSA-N 1 1 357.351 3.531 40 0 biogenic,in-vitro FHABMO COc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1Cl ZINC000222588729 568542757 /nfs/dbraw/zinc/54/27/57/568542757.db2.gz OUOLJNSIQBSHAU-UHFFFAOYSA-N 1 1 355.825 3.773 40 0 FHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)COc1ccc2c(c1)CCCC2 ZINC000222818170 568567090 /nfs/dbraw/zinc/56/70/90/568567090.db2.gz FQFDGTXDNCGGTA-FQEVSTJZSA-N 1 1 358.526 3.715 40 0 FHABMO Cc1cc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000222841417 568570768 /nfs/dbraw/zinc/57/07/68/568570768.db2.gz VZNDOSBYMHXYCF-KRWDZBQOSA-N 1 1 372.896 3.760 40 0 FHABMO O=C(Cc1ccc(Cl)cc1F)NCCC[N@H+]1CCc2ccccc2C1 ZINC000223571846 568671385 /nfs/dbraw/zinc/67/13/85/568671385.db2.gz ZBBSXUHJUAZEJK-UHFFFAOYSA-N 1 1 360.860 3.586 40 0 FHABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)CC2)o1 ZINC000096047535 570473657 /nfs/dbraw/zinc/47/36/57/570473657.db2.gz WMBBMMOPPDCJAY-NRFANRHFSA-N 1 1 353.466 3.530 40 0 FHABMO Cc1ccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccccn4)CO3)CC2)s1 ZINC000096048053 570473838 /nfs/dbraw/zinc/47/38/38/570473838.db2.gz WPXIZUQYMGVQMH-LJQANCHMSA-N 1 1 371.550 3.707 40 0 FHABMO Cc1ccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccncc4)CO3)CC2)s1 ZINC000096048081 570473865 /nfs/dbraw/zinc/47/38/65/570473865.db2.gz JTQPDMLBILCJJO-LJQANCHMSA-N 1 1 371.550 3.707 40 0 FHABMO COc1ccc(C[N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cc1 ZINC000096058703 570474119 /nfs/dbraw/zinc/47/41/19/570474119.db2.gz PSYANPJEBABOPO-UHFFFAOYSA-N 1 1 363.436 3.892 40 0 FHABMO Fc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)cc1 ZINC000096051133 570474216 /nfs/dbraw/zinc/47/42/16/570474216.db2.gz IAVKNZPIBOESGJ-IBGZPJMESA-N 1 1 361.411 3.958 40 0 FHABMO Cc1ccc(C[N@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)s1 ZINC000096058122 570474363 /nfs/dbraw/zinc/47/43/63/570474363.db2.gz RMPZXJBACPXKQU-KURKYZTESA-N 1 1 364.536 3.770 40 0 FHABMO COc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC000096051155 570474659 /nfs/dbraw/zinc/47/46/59/570474659.db2.gz MDDAPVNHNAKFCS-HXUWFJFHSA-N 1 1 373.447 3.828 40 0 FHABMO Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@@H+](Cc2ccoc2)C3)n1 ZINC000096065126 570475075 /nfs/dbraw/zinc/47/50/75/570475075.db2.gz KLVAJBFEZJYYIM-RTWAWAEBSA-N 1 1 356.466 3.571 40 0 FHABMO Cc1nc(CO[C@@H]2CO[C@@]3(CC[N@@H+](Cc4cccc(C)c4)C3)C2)cs1 ZINC000096107628 570475695 /nfs/dbraw/zinc/47/56/95/570475695.db2.gz WKLVCUUIDWEAKT-PMACEKPBSA-N 1 1 358.507 3.710 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)cc1 ZINC000096100311 570475898 /nfs/dbraw/zinc/47/58/98/570475898.db2.gz ADOMXWOMWOQKJY-QHCPKHFHSA-N 1 1 364.489 3.842 40 0 FHABMO CC(C)(C)[C@H]1CC[C@H]([N@H+]2CCOC[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585284951 570494238 /nfs/dbraw/zinc/49/42/38/570494238.db2.gz BDJMGZJZTDKMJL-WOIUINJBSA-N 1 1 361.526 3.734 40 0 FHABMO FC(F)(F)c1nc(-c2ccc([C@@H]3CCC[N@@H+](CC4CC4)C3)nc2)no1 ZINC000585289091 570495106 /nfs/dbraw/zinc/49/51/06/570495106.db2.gz DLPBLBHCTIYDCY-CYBMUJFWSA-N 1 1 352.360 3.740 40 0 FHABMO CC[N@@H+]1CCc2nc(NC(=O)/C=C/c3ccc([C@H]4C[C@H]4C)o3)sc2C1 ZINC000253621159 570625927 /nfs/dbraw/zinc/62/59/27/570625927.db2.gz ZOZKASDYEMQXJD-FROLJDDGSA-N 1 1 357.479 3.889 40 0 FHABMO CC[N@H+]1CCc2nc(NC(=O)/C=C/c3ccc([C@H]4C[C@H]4C)o3)sc2C1 ZINC000253621159 570625930 /nfs/dbraw/zinc/62/59/30/570625930.db2.gz ZOZKASDYEMQXJD-FROLJDDGSA-N 1 1 357.479 3.889 40 0 FHABMO COc1ccc(C[NH+]2CCC3(CC2)CC(=O)c2cc(F)ccc2O3)cc1 ZINC000012113648 570718791 /nfs/dbraw/zinc/71/87/91/570718791.db2.gz SSRIOFXZTQKFJW-UHFFFAOYSA-N 1 1 355.409 3.834 40 0 FHABMO CCOc1ccccc1C[N@H+]1CCC[C@H](n2c3ccccc3oc2=O)C1 ZINC000012119118 570720071 /nfs/dbraw/zinc/72/00/71/570720071.db2.gz JNWQBDJYDCYTPV-KRWDZBQOSA-N 1 1 352.434 3.830 40 0 FHABMO CCn1c(C[N@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)cnc1SC ZINC000012143574 570721513 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FHABMO O=C1c2cccn2[C@H]2C[N@H+](CCc3ccccc3)C[C@H]2N1Cc1ccccc1 ZINC000306137652 571040350 /nfs/dbraw/zinc/04/03/50/571040350.db2.gz RCKKTKNZQWLFJP-XZOQPEGZSA-N 1 1 371.484 3.612 40 0 FHABMO O=C1c2cccn2[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]2N1Cc1ccccc1 ZINC000306137651 571040493 /nfs/dbraw/zinc/04/04/93/571040493.db2.gz RCKKTKNZQWLFJP-PKTZIBPZSA-N 1 1 371.484 3.612 40 0 FHABMO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4cccs4)C2)OC3)cc1 ZINC000306139957 571041703 /nfs/dbraw/zinc/04/17/03/571041703.db2.gz UFFXAKQVOGRVAQ-FQEVSTJZSA-N 1 1 369.465 3.926 40 0 FHABMO COc1ccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000225736215 571060825 /nfs/dbraw/zinc/06/08/25/571060825.db2.gz OSYKRLXWTWRYEG-CYBMUJFWSA-N 1 1 355.935 3.757 40 0 FHABMO COC[C@@H]1C[N@@H+](Cc2ccccn2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000247898025 571126173 /nfs/dbraw/zinc/12/61/73/571126173.db2.gz VGJPISYSDZRTCU-IBGZPJMESA-N 1 1 371.550 3.504 40 0 FHABMO COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000247891265 571126211 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3.761 40 0 FHABMO C[C@]12C[C@@H](c3ccccc3)[N@@H+](Cc3ccc(O)cc3)[C@H]1CCCC(=O)N2 ZINC000257303390 571159864 /nfs/dbraw/zinc/15/98/64/571159864.db2.gz SHAFFUJAKJUEJH-ONTIZHBOSA-N 1 1 350.462 3.767 40 0 FHABMO C[N@@H+](C[C@H]1CC=CCC1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000257307136 571160143 /nfs/dbraw/zinc/16/01/43/571160143.db2.gz SXIOYFKOWDAKET-LYGNXSNRSA-N 1 1 354.494 3.778 40 0 FHABMO CCNc1cc([C@H]2CCC[N@H+]2CC2=Cc3ccccc3OC2)nc(C)n1 ZINC000257309491 571160423 /nfs/dbraw/zinc/16/04/23/571160423.db2.gz UBDPWJQNBHPRMR-LJQANCHMSA-N 1 1 350.466 3.830 40 0 FHABMO Cc1nc(Nc2nccs2)cc([C@@H]2CCCC[N@H+]2CC2CCOCC2)n1 ZINC000257334931 571162921 /nfs/dbraw/zinc/16/29/21/571162921.db2.gz YHXKEEYKPIULHQ-KRWDZBQOSA-N 1 1 373.526 3.939 40 0 FHABMO CC[N@@H+](C)[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C2(C1)CCCCC2 ZINC000019704924 571172312 /nfs/dbraw/zinc/17/23/12/571172312.db2.gz ZQUXULVJBUAHBK-SFHVURJKSA-N 1 1 353.510 3.966 40 0 FHABMO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@H+](Cc3cscn3)C2)on1 ZINC000072334681 571178974 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Cn1cncc1C[NH+]1CCC(c2nccnc2Oc2ccccc2F)CC1 ZINC000072363167 571184767 /nfs/dbraw/zinc/18/47/67/571184767.db2.gz PCYCKUYKALZFJK-UHFFFAOYSA-N 1 1 367.428 3.521 40 0 FHABMO Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)nc1 ZINC000072377639 571186694 /nfs/dbraw/zinc/18/66/94/571186694.db2.gz WKJSWGXEDHLMGG-SFHVURJKSA-N 1 1 360.465 3.698 40 0 FHABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000072378532 571187066 /nfs/dbraw/zinc/18/70/66/571187066.db2.gz QJIGPIGNKWKOCP-HXUWFJFHSA-N 1 1 360.461 3.872 40 0 FHABMO COc1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1 ZINC000072389947 571189247 /nfs/dbraw/zinc/18/92/47/571189247.db2.gz OQTDWUVSQSGBCP-KRWDZBQOSA-N 1 1 350.422 3.520 40 0 FHABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)C[C@@H]1C=CCC1 ZINC000257257912 571204568 /nfs/dbraw/zinc/20/45/68/571204568.db2.gz KRPCGJGUTDFNKL-GUDVDZBRSA-N 1 1 372.557 3.570 40 0 FHABMO COCCn1ccnc1[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccccc21 ZINC000306123494 571212923 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3.921 40 0 FHABMO Cc1ncc(C[N@H+]2CC[C@H](c3cc(COc4ccccc4F)[nH]n3)C2)s1 ZINC000019704320 571304444 /nfs/dbraw/zinc/30/44/44/571304444.db2.gz VJXOYXDQFYSJDQ-AWEZNQCLSA-N 1 1 372.469 3.882 40 0 FHABMO Cc1ncc(C[N@@H+]2CC[C@H](c3cc(COc4ccccc4F)n[nH]3)C2)s1 ZINC000019704320 571304445 /nfs/dbraw/zinc/30/44/45/571304445.db2.gz VJXOYXDQFYSJDQ-AWEZNQCLSA-N 1 1 372.469 3.882 40 0 FHABMO Cc1ncc(C[N@H+]2CC[C@H](c3cc(COc4ccccc4F)n[nH]3)C2)s1 ZINC000019704320 571304447 /nfs/dbraw/zinc/30/44/47/571304447.db2.gz VJXOYXDQFYSJDQ-AWEZNQCLSA-N 1 1 372.469 3.882 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000096047596 571306638 /nfs/dbraw/zinc/30/66/38/571306638.db2.gz QQTZKGMAIOOPOE-FPOVZHCZSA-N 1 1 356.441 3.680 40 0 FHABMO O=C(CCSCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013687991 204546541 /nfs/dbraw/zinc/54/65/41/204546541.db2.gz PLRKJPCZXMOPQZ-UHFFFAOYSA-N 1 1 354.519 3.654 40 0 FHABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cccc(OC)c1OC ZINC000019527218 204687115 /nfs/dbraw/zinc/68/71/15/204687115.db2.gz PFOCQSACHCROIP-FQEVSTJZSA-N 1 1 369.509 3.585 40 0 FHABMO c1c(CC2([NH2+]Cc3cnc4ccccc4c3)COC2)noc1-c1ccccc1 ZINC000072321925 205031107 /nfs/dbraw/zinc/03/11/07/205031107.db2.gz SPSDJPCXHZELCF-UHFFFAOYSA-N 1 1 371.440 3.991 40 0 biogenic,in-vitro FHABMO Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000038772848 205043664 /nfs/dbraw/zinc/04/36/64/205043664.db2.gz KMSXHIJLYUFSCZ-FUHIMQAGSA-N 1 1 360.542 3.863 40 0 FHABMO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC000067801217 205393021 /nfs/dbraw/zinc/39/30/21/205393021.db2.gz PXVYFGOCAJEVSE-CYBMUJFWSA-N 1 1 355.276 3.548 40 0 FHABMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2Br)C1 ZINC000067801217 205393025 /nfs/dbraw/zinc/39/30/25/205393025.db2.gz PXVYFGOCAJEVSE-CYBMUJFWSA-N 1 1 355.276 3.548 40 0 FHABMO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@@]12CC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC000108533951 206035336 /nfs/dbraw/zinc/03/53/36/206035336.db2.gz JSRXKNRKPKDAGD-IEZWGBDMSA-N 1 1 352.469 3.749 40 0 FHABMO CC1CC[NH+]([C@H](c2nnnn2CCc2ccccc2)c2ccccc2)CC1 ZINC000001330474 206146821 /nfs/dbraw/zinc/14/68/21/206146821.db2.gz PJXWRIMXWLJDNS-NRFANRHFSA-N 1 1 361.493 3.737 40 0 FHABMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C1 ZINC000188966352 206324535 /nfs/dbraw/zinc/32/45/35/206324535.db2.gz YCFYNVHZPMAWDP-CQSZACIVSA-N 1 1 352.881 3.950 40 0 FHABMO CCO[C@](C)(C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225723495 206495796 /nfs/dbraw/zinc/49/57/96/206495796.db2.gz MFRTUJJWHVWCIW-VGSWGCGISA-N 1 1 374.525 3.941 40 0 FHABMO C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)C1 ZINC000036741247 132940237 /nfs/dbraw/zinc/94/02/37/132940237.db2.gz ZPEYWJQWUCUFET-JXFKEZNVSA-N 1 1 358.526 3.777 40 0 FHABMO CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020458869 523035727 /nfs/dbraw/zinc/03/57/27/523035727.db2.gz KEPMPIFSTUZFOG-OAQYLSRUSA-N 1 1 366.505 3.805 40 0 FHABMO CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000020107337 523059196 /nfs/dbraw/zinc/05/91/96/523059196.db2.gz NWMINDYZWIIMCP-HXUWFJFHSA-N 1 1 363.461 3.963 40 0 FHABMO COc1ccccc1CNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020456991 524482062 /nfs/dbraw/zinc/48/20/62/524482062.db2.gz SYHJOSMLLOPLMK-KRWDZBQOSA-N 1 1 352.478 3.857 40 0 FHABMO COc1ccc(SCC(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000020486457 525101685 /nfs/dbraw/zinc/10/16/85/525101685.db2.gz VSIPRDAFAOMRSP-UHFFFAOYSA-N 1 1 367.474 3.598 40 0 FHABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C4CCCCC4)CCN3C(C)(C)C2)cc1 ZINC000253407374 560040258 /nfs/dbraw/zinc/04/02/58/560040258.db2.gz WDVMDMCFBZCFTL-OAQYLSRUSA-N 1 1 371.569 3.608 40 0 biogenic,in-vitro FHABMO COc1ccc(CN2C[C@@H]3C[N@@H+](C4CCCCC4)CCN3C(C)(C)C2)cc1 ZINC000253407374 560040259 /nfs/dbraw/zinc/04/02/59/560040259.db2.gz WDVMDMCFBZCFTL-OAQYLSRUSA-N 1 1 371.569 3.608 40 0 biogenic,in-vitro FHABMO COc1ccc(CN2C[C@@H]3C[N@H+](C4CCCCC4)CCN3C(C)(C)C2)cc1 ZINC000253407374 560040260 /nfs/dbraw/zinc/04/02/60/560040260.db2.gz WDVMDMCFBZCFTL-OAQYLSRUSA-N 1 1 371.569 3.608 40 0 biogenic,in-vitro FHABMO Fc1ccc(C[NH2+]C2(Cc3cc(-c4ccc(F)cc4)on3)COC2)cc1 ZINC000067897869 560050294 /nfs/dbraw/zinc/05/02/94/560050294.db2.gz XHQQNNNEDLSGAB-UHFFFAOYSA-N 1 1 356.372 3.721 40 0 biogenic,in-vitro FHABMO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cc1 ZINC000096111819 560061034 /nfs/dbraw/zinc/06/10/34/560061034.db2.gz BCLOBMWADSXFDG-FPOVZHCZSA-N 1 1 362.473 3.774 40 0 biogenic,in-vitro FHABMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cc1 ZINC000096111819 560061035 /nfs/dbraw/zinc/06/10/35/560061035.db2.gz BCLOBMWADSXFDG-FPOVZHCZSA-N 1 1 362.473 3.774 40 0 biogenic,in-vitro FHABMO Cc1ccc(CCC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1C ZINC000223142033 568616574 /nfs/dbraw/zinc/61/65/74/568616574.db2.gz XKCYCQYPVSJTKJ-UHFFFAOYSA-N 1 1 350.506 3.801 40 0 FHABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)cs1 ZINC000096040174 570473049 /nfs/dbraw/zinc/47/30/49/570473049.db2.gz ZUGYZQHBLMXGKS-UXHICEINSA-N 1 1 358.507 3.731 40 0 FHABMO COC[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2cn(CC3CCCC3)nc21 ZINC000096059995 570475102 /nfs/dbraw/zinc/47/51/02/570475102.db2.gz FHESDCOEKIDUIT-HXUWFJFHSA-N 1 1 369.509 3.828 40 0 FHABMO COC[C@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2cn(CC3CCCC3)nc21 ZINC000096059995 570475104 /nfs/dbraw/zinc/47/51/04/570475104.db2.gz FHESDCOEKIDUIT-HXUWFJFHSA-N 1 1 369.509 3.828 40 0 FHABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccsc3)CC2)N1Cc1cccnc1 ZINC000096218011 570479633 /nfs/dbraw/zinc/47/96/33/570479633.db2.gz FEGQYWCLZVGNFL-HXUWFJFHSA-N 1 1 355.507 3.690 40 0 FHABMO CN1CCN(c2ccc([C@@H]3CCCC[N@@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216548 570533542 /nfs/dbraw/zinc/53/35/42/570533542.db2.gz IFCDAYCFPSVIIY-NRFANRHFSA-N 1 1 350.510 3.561 40 0 FHABMO CN1CCN(c2ccc([C@@H]3CCCC[N@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216548 570533545 /nfs/dbraw/zinc/53/35/45/570533545.db2.gz IFCDAYCFPSVIIY-NRFANRHFSA-N 1 1 350.510 3.561 40 0 FHABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000072227959 570535353 /nfs/dbraw/zinc/53/53/53/570535353.db2.gz NEAYWWIENOCPQR-KBPBESRZSA-N 1 1 351.631 3.518 40 0 FHABMO COc1cccc(-c2noc([C@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000072369856 570546528 /nfs/dbraw/zinc/54/65/28/570546528.db2.gz PDKLILMNCBFZKF-INIZCTEOSA-N 1 1 353.397 3.874 40 0 FHABMO CC[NH+]1CCN(C(=S)c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000408572237 570557170 /nfs/dbraw/zinc/55/71/70/570557170.db2.gz FUCBSGNVDPPQGI-UHFFFAOYSA-N 1 1 358.482 3.718 40 0 FHABMO OC1(COc2cccc(Cl)c2)CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000257243888 570627246 /nfs/dbraw/zinc/62/72/46/570627246.db2.gz IJABEDWGSQJSCT-UHFFFAOYSA-N 1 1 371.868 3.622 40 0 FHABMO CCOc1cc(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)ccc1O ZINC000012119186 570720273 /nfs/dbraw/zinc/72/02/73/570720273.db2.gz WOUZYTWYUFCPQW-INIZCTEOSA-N 1 1 368.433 3.536 40 0 FHABMO COc1cccc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)c1OC ZINC000012122147 570720804 /nfs/dbraw/zinc/72/08/04/570720804.db2.gz KWIWTTUNAJHMIU-UHFFFAOYSA-N 1 1 369.461 3.648 40 0 FHABMO Cc1cc2c(cc1Cl)C=CC1(CC[NH+](CC(=O)NC3CCCC3)CC1)O2 ZINC000012187978 570725316 /nfs/dbraw/zinc/72/53/16/570725316.db2.gz KTDBASLHXNPAQR-UHFFFAOYSA-N 1 1 374.912 3.947 40 0 FHABMO CCOc1cc(C[N@H+]2CCc3sccc3[C@@H]2CC)ccc1OCC(N)=O ZINC000012364218 570738781 /nfs/dbraw/zinc/73/87/81/570738781.db2.gz MCJVLNQHAYPOOD-INIZCTEOSA-N 1 1 374.506 3.520 40 0 FHABMO COc1ccc(C[N@H+](Cc2ccc3ncccc3c2)C[C@H](C)O)cc1OC ZINC000013991764 570801192 /nfs/dbraw/zinc/80/11/92/570801192.db2.gz FVULGZYTNNQZRB-INIZCTEOSA-N 1 1 366.461 3.635 40 0 FHABMO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2Cl)CC1 ZINC000014258615 570847010 /nfs/dbraw/zinc/84/70/10/570847010.db2.gz LSAZMGKMUYTLIN-JXMROGBWSA-N 1 1 355.869 3.744 40 0 FHABMO COCc1cc(C[N@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3C)ccc1OC(C)C ZINC000019713152 570858497 /nfs/dbraw/zinc/85/84/97/570858497.db2.gz LZZPXCDCJXSOMS-VQTJNVASSA-N 1 1 374.525 3.596 40 0 FHABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000019081978 570879819 /nfs/dbraw/zinc/87/98/19/570879819.db2.gz JZQPUGTZEMYQPR-PXNSSMCTSA-N 1 1 366.509 3.592 40 0 FHABMO Cc1ccsc1C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@@H](C)O ZINC000019238602 570883482 /nfs/dbraw/zinc/88/34/82/570883482.db2.gz DZYFVYNEKGSSKR-OAHLLOKOSA-N 1 1 359.470 3.764 40 0 FHABMO C[NH2+]C1CCC2(CC1)CN(Cc1cccc(C)n1)Cc1ccccc1O2 ZINC000019236342 570883613 /nfs/dbraw/zinc/88/36/13/570883613.db2.gz SKUCYIGDFQIFBV-UHFFFAOYSA-N 1 1 351.494 3.685 40 0 FHABMO Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H](C)Cn2cc[nH+]c2C)n1 ZINC000019240114 570884248 /nfs/dbraw/zinc/88/42/48/570884248.db2.gz KPCSDJINZPLHGE-LRDDRELGSA-N 1 1 374.535 3.754 40 0 FHABMO CCc1[nH+]ccn1CCC(=O)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 ZINC000019523655 570891198 /nfs/dbraw/zinc/89/11/98/570891198.db2.gz IWQBXYMQKMVSRD-UBBRYJJRSA-N 1 1 351.494 3.924 40 0 FHABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1cnc(SC)nc1 ZINC000019527208 570892226 /nfs/dbraw/zinc/89/22/26/570892226.db2.gz MGPSTFITFIPPPK-INIZCTEOSA-N 1 1 362.568 3.747 40 0 FHABMO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000019694545 570899095 /nfs/dbraw/zinc/89/90/95/570899095.db2.gz DNABPEMDGRJQCV-GOSISDBHSA-N 1 1 366.509 3.808 40 0 FHABMO Cc1onc(-c2ccc(Cl)cc2)c1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000019719125 570900912 /nfs/dbraw/zinc/90/09/12/570900912.db2.gz BGMXYBJDXUXZLD-UHFFFAOYSA-N 1 1 361.873 3.908 40 0 FHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccccc3)cc2)C1 ZINC000224332829 570985449 /nfs/dbraw/zinc/98/54/49/570985449.db2.gz LSRFHJRKSXRTDX-SFHVURJKSA-N 1 1 352.478 3.727 40 0 FHABMO Fc1ccc(C[N@H+]2CC[C@@]3(CN(Cc4ccccn4)c4cccnc43)C2)cc1 ZINC000306140706 571041473 /nfs/dbraw/zinc/04/14/73/571041473.db2.gz VBKMQAQLEJQTML-QHCPKHFHSA-N 1 1 374.463 3.780 40 0 FHABMO CCCC[N@@H+]1CC(F)(F)C[C@]2(CCCN(Cc3cccc(C)n3)C2=O)C1 ZINC000306142422 571042412 /nfs/dbraw/zinc/04/24/12/571042412.db2.gz WZBUVIPOGCZBOU-LJQANCHMSA-N 1 1 365.468 3.640 40 0 FHABMO CCCC[N@H+]1CC(F)(F)C[C@]2(CCCN(Cc3cccc(C)n3)C2=O)C1 ZINC000306142422 571042417 /nfs/dbraw/zinc/04/24/17/571042417.db2.gz WZBUVIPOGCZBOU-LJQANCHMSA-N 1 1 365.468 3.640 40 0 FHABMO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccsc4)C2)OC3)cc1 ZINC000306143363 571042646 /nfs/dbraw/zinc/04/26/46/571042646.db2.gz YAGFBKWJMFMSOZ-FQEVSTJZSA-N 1 1 369.465 3.926 40 0 FHABMO Cc1noc(C)c1-c1cc(C[C@@H]2CCC[N@H+](Cc3nccs3)C2)ncn1 ZINC000257200564 571148958 /nfs/dbraw/zinc/14/89/58/571148958.db2.gz ADVDPKJNJOSASS-HNNXBMFYSA-N 1 1 369.494 3.660 40 0 FHABMO Cc1noc(C)c1-c1cc(C[C@@H]2CCC[N@@H+](Cc3nccs3)C2)ncn1 ZINC000257200564 571148960 /nfs/dbraw/zinc/14/89/60/571148960.db2.gz ADVDPKJNJOSASS-HNNXBMFYSA-N 1 1 369.494 3.660 40 0 FHABMO Cc1c(C)n(CCC(=O)N2CCCC[C@H]3[C@@H]2CC[N@@H+]3C)c2ccccc12 ZINC000257222386 571151588 /nfs/dbraw/zinc/15/15/88/571151588.db2.gz DTBWKLYZJWCXGR-SFTDATJTSA-N 1 1 353.510 3.733 40 0 FHABMO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cncs3)C2)s1 ZINC000257235828 571152798 /nfs/dbraw/zinc/15/27/98/571152798.db2.gz GZRUFIOIFWPSOY-CYBMUJFWSA-N 1 1 372.523 3.821 40 0 FHABMO CC[N@@H+](C)[C@@H]1CN(C(=O)CCc2ccc(OC)cc2)C2(C1)CCCCC2 ZINC000257239219 571153436 /nfs/dbraw/zinc/15/34/36/571153436.db2.gz HOLBDFOSOPORRF-IBGZPJMESA-N 1 1 358.526 3.883 40 0 FHABMO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)n1 ZINC000257244377 571153615 /nfs/dbraw/zinc/15/36/15/571153615.db2.gz ILAGVZWGDWOMEJ-OAHLLOKOSA-N 1 1 369.419 3.833 40 0 FHABMO COc1ccc2[nH]cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[N@@H+](C)C4)c2c1 ZINC000257259389 571155419 /nfs/dbraw/zinc/15/54/19/571155419.db2.gz KYDWCAYHVYVDEO-COWZOJLOSA-N 1 1 367.493 3.654 40 0 FHABMO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2CC2CCOCC2)nc(C)n1 ZINC000257304667 571159823 /nfs/dbraw/zinc/15/98/23/571159823.db2.gz SMQJLRBIGMHHBM-IBGZPJMESA-N 1 1 367.497 3.796 40 0 FHABMO Cc1ncsc1C[N@@H+]1CCN(C)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257339764 571163204 /nfs/dbraw/zinc/16/32/04/571163204.db2.gz ZDBVNCJEHIXHHG-QGZVFWFLSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1ncsc1CN1CC[N@@H+](C)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257339764 571163207 /nfs/dbraw/zinc/16/32/07/571163207.db2.gz ZDBVNCJEHIXHHG-QGZVFWFLSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1ncsc1CN1CC[N@H+](C)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257339764 571163209 /nfs/dbraw/zinc/16/32/09/571163209.db2.gz ZDBVNCJEHIXHHG-QGZVFWFLSA-N 1 1 366.534 3.606 40 0 FHABMO CSc1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@]3(O)c2ccc(C)cc2)cn1 ZINC000072340462 571179154 /nfs/dbraw/zinc/17/91/54/571179154.db2.gz KNBCWMOYTUBDJR-LMNJBCLMSA-N 1 1 369.534 3.627 40 0 FHABMO CC(C)c1ncc(C[N@H+]2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cn1 ZINC000072340445 571179161 /nfs/dbraw/zinc/17/91/61/571179161.db2.gz RENMGUPXFFASRP-WEYGHZABSA-N 1 1 369.484 3.859 40 0 FHABMO CCCn1ncc(C[N@H+]2C[C@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)c1C ZINC000072340444 571179339 /nfs/dbraw/zinc/17/93/39/571179339.db2.gz WQBSKAJHYXKTIA-YHYVQYDKSA-N 1 1 371.500 3.860 40 0 FHABMO NC(=O)c1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348847 571180308 /nfs/dbraw/zinc/18/03/08/571180308.db2.gz LWFYWIVXDXEFHS-FQEVSTJZSA-N 1 1 372.472 3.622 40 0 FHABMO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccc(C)cc2)n1 ZINC000072357639 571182692 /nfs/dbraw/zinc/18/26/92/571182692.db2.gz WIBISUSJCZBGSU-JOCHJYFZSA-N 1 1 365.521 3.986 40 0 FHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccc(C)cc2)n1 ZINC000072357639 571182694 /nfs/dbraw/zinc/18/26/94/571182694.db2.gz WIBISUSJCZBGSU-JOCHJYFZSA-N 1 1 365.521 3.986 40 0 FHABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cn1 ZINC000072359731 571184230 /nfs/dbraw/zinc/18/42/30/571184230.db2.gz HEESZNLIKPWLML-QGZVFWFLSA-N 1 1 367.884 3.910 40 0 FHABMO Cc1cnc(Nc2cc([C@@H]3CCC[N@H+]3C3CCOCC3)nc(C)n2)s1 ZINC000072360367 571184391 /nfs/dbraw/zinc/18/43/91/571184391.db2.gz ZHLBXUFIICMHJX-INIZCTEOSA-N 1 1 359.499 3.609 40 0 FHABMO Cc1nc(Nc2nccs2)cc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072360207 571184414 /nfs/dbraw/zinc/18/44/14/571184414.db2.gz OJMQCZITZOTSLT-INIZCTEOSA-N 1 1 352.467 3.717 40 0 FHABMO Cc1nc(Nc2nccs2)cc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072360207 571184417 /nfs/dbraw/zinc/18/44/17/571184417.db2.gz OJMQCZITZOTSLT-INIZCTEOSA-N 1 1 352.467 3.717 40 0 FHABMO Cc1ccc(OC[C@H](O)C[N@@H+](CCO)Cc2ccccc2)c(C(C)(C)C)c1 ZINC000027531061 571184826 /nfs/dbraw/zinc/18/48/26/571184826.db2.gz IKQSZGYUGSPOJM-HXUWFJFHSA-N 1 1 371.521 3.527 40 0 FHABMO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCC[N@H+]2Cc2cccnc2)n1 ZINC000072376862 571185995 /nfs/dbraw/zinc/18/59/95/571185995.db2.gz HKQSPLVJSPBWQH-LJQANCHMSA-N 1 1 363.440 3.987 40 0 FHABMO Cc1nc2c(c(Nc3nccs3)n1)C[N@H+](CCc1ccccc1)CC2 ZINC000072380814 571188446 /nfs/dbraw/zinc/18/84/46/571188446.db2.gz IJWVVKZTEPZBCE-UHFFFAOYSA-N 1 1 351.479 3.586 40 0 FHABMO Cc1nc2c(c(Nc3nccs3)n1)C[N@@H+](CCc1ccccc1)CC2 ZINC000072380814 571188447 /nfs/dbraw/zinc/18/84/47/571188447.db2.gz IJWVVKZTEPZBCE-UHFFFAOYSA-N 1 1 351.479 3.586 40 0 FHABMO CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1c2cccnc2[nH]c1C1CC1 ZINC000072395508 571190655 /nfs/dbraw/zinc/19/06/55/571190655.db2.gz YYSFNWAOLHCKLF-WOJBJXKFSA-N 1 1 374.488 3.544 40 0 FHABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C1CC1 ZINC000072398548 571190715 /nfs/dbraw/zinc/19/07/15/571190715.db2.gz YKWLJDCNBGOAHX-RXVVDRJESA-N 1 1 367.468 3.700 40 0 FHABMO CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](CC(C)C)C1 ZINC000072395926 571190874 /nfs/dbraw/zinc/19/08/74/571190874.db2.gz YRVPSDOXTZOMRF-QFIPXVFZSA-N 1 1 369.509 3.758 40 0 FHABMO Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccc2)c1 ZINC000306126959 571213096 /nfs/dbraw/zinc/21/30/96/571213096.db2.gz FJZVLXOGDOPUTC-XZOQPEGZSA-N 1 1 371.484 3.878 40 0 FHABMO Cc1cc(N2C[C@@]3(F)C[N@H+](CCC(C)(C)C)C[C@@]3(F)C2=O)c(C)s1 ZINC000306132669 571214253 /nfs/dbraw/zinc/21/42/53/571214253.db2.gz LOUXEXWKUHRJBU-ZWKOTPCHSA-N 1 1 356.482 3.880 40 0 FHABMO Cc1cc(N2C[C@@]3(F)C[N@@H+](CCC(C)(C)C)C[C@@]3(F)C2=O)c(C)s1 ZINC000306132669 571214254 /nfs/dbraw/zinc/21/42/54/571214254.db2.gz LOUXEXWKUHRJBU-ZWKOTPCHSA-N 1 1 356.482 3.880 40 0 FHABMO O=C(c1ccncc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100696 571221299 /nfs/dbraw/zinc/22/12/99/571221299.db2.gz TWTOOAJMPTWONU-JOCHJYFZSA-N 1 1 367.468 3.882 40 0 FHABMO O=C(N1CCC[C@@]2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1)C1(F)CC1 ZINC000585100407 571221348 /nfs/dbraw/zinc/22/13/48/571221348.db2.gz QSKKZHPSDMUHDP-LJQANCHMSA-N 1 1 366.427 3.814 40 0 FHABMO Clc1cccc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)c1 ZINC000585105364 571223696 /nfs/dbraw/zinc/22/36/96/571223696.db2.gz VDHIIPZQDFVJPP-GOSISDBHSA-N 1 1 367.942 3.843 40 0 FHABMO COCC[N@H+]1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000585113203 571226502 /nfs/dbraw/zinc/22/65/02/571226502.db2.gz CHJWYIFCLULILF-NRFANRHFSA-N 1 1 358.526 3.657 40 0 FHABMO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2Cl)CC1 ZINC000248103645 571291215 /nfs/dbraw/zinc/29/12/15/571291215.db2.gz FMGJRNFEMJWKFE-UHFFFAOYSA-N 1 1 364.276 3.998 40 0 FHABMO COc1cc2c(cc1OC)[C@H](C)[N@H+]([C@H]1CCCN(C(=O)CC(C)C)C1)CC2 ZINC000012232924 571303471 /nfs/dbraw/zinc/30/34/71/571303471.db2.gz BXLVLBPVMABBGJ-WMZOPIPTSA-N 1 1 374.525 3.660 40 0 FHABMO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019456787 571303950 /nfs/dbraw/zinc/30/39/50/571303950.db2.gz CCWNOGYVXNWTQL-AOMKIAJQSA-N 1 1 352.453 3.577 40 0 FHABMO C[C@@H](Cc1ccccc1F)[N@H+]1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019456891 571303991 /nfs/dbraw/zinc/30/39/91/571303991.db2.gz RAMNQILXCKTTEZ-AOMKIAJQSA-N 1 1 352.453 3.577 40 0 FHABMO CCCc1ncc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)cn1 ZINC000019525725 571304041 /nfs/dbraw/zinc/30/40/41/571304041.db2.gz AOMHEQYOLXBIKC-UCNVEGJOSA-N 1 1 369.484 3.688 40 0 FHABMO FC(F)(F)c1cccc(-c2nccnc2[C@H]2C[N@H+](CC3CC3)CCO2)c1 ZINC000019693091 571304345 /nfs/dbraw/zinc/30/43/45/571304345.db2.gz DNLXRZHVPNIQFU-MRXNPFEDSA-N 1 1 363.383 3.946 40 0 FHABMO FC(F)(F)c1cccc(-c2nccnc2[C@H]2C[N@@H+](CC3CC3)CCO2)c1 ZINC000019693091 571304346 /nfs/dbraw/zinc/30/43/46/571304346.db2.gz DNLXRZHVPNIQFU-MRXNPFEDSA-N 1 1 363.383 3.946 40 0 FHABMO CC[N@@H+](C)[C@H]1CN(C(=O)c2ccc(OCCOC)cc2)C2(C1)CCCCC2 ZINC000019703797 571304415 /nfs/dbraw/zinc/30/44/15/571304415.db2.gz FDCYICYIILUPOO-LJQANCHMSA-N 1 1 374.525 3.581 40 0 FHABMO Cc1ncc(C[N@H+]2CC[C@@H](c3cc(COc4ccccc4F)[nH]n3)C2)s1 ZINC000019704319 571304491 /nfs/dbraw/zinc/30/44/91/571304491.db2.gz VJXOYXDQFYSJDQ-CQSZACIVSA-N 1 1 372.469 3.882 40 0 FHABMO Cc1ncc(C[N@@H+]2CC[C@@H](c3cc(COc4ccccc4F)n[nH]3)C2)s1 ZINC000019704319 571304493 /nfs/dbraw/zinc/30/44/93/571304493.db2.gz VJXOYXDQFYSJDQ-CQSZACIVSA-N 1 1 372.469 3.882 40 0 FHABMO Cc1ncc(C[N@H+]2CC[C@@H](c3cc(COc4ccccc4F)n[nH]3)C2)s1 ZINC000019704319 571304494 /nfs/dbraw/zinc/30/44/94/571304494.db2.gz VJXOYXDQFYSJDQ-CQSZACIVSA-N 1 1 372.469 3.882 40 0 FHABMO COc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712618 571304655 /nfs/dbraw/zinc/30/46/55/571304655.db2.gz RVYGVGROKTYQOD-MZKRTTBSSA-N 1 1 364.489 3.722 40 0 FHABMO COc1cc2cccnc2c(NC[C@](C)(O)C[N@@H+](CC(C)C)C(C)C)c1 ZINC000001656135 204015793 /nfs/dbraw/zinc/01/57/93/204015793.db2.gz PMFHVABLBBJDLO-NRFANRHFSA-N 1 1 359.514 3.773 40 0 FHABMO C[N@H+]1CC[C@@H](CC(C(=O)N2CCCC2)(c2ccccc2)c2ccccc2)C1 ZINC000001672574 204016835 /nfs/dbraw/zinc/01/68/35/204016835.db2.gz SQHRAWGCFMHPMQ-FQEVSTJZSA-N 1 1 362.517 3.937 40 0 FHABMO CC[C@@]12CCC[N@H+]3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4CC1)[C@H]32 ZINC000004097860 204120266 /nfs/dbraw/zinc/12/02/66/204120266.db2.gz ARQOGCYMPUOVHK-ZHHKINOHSA-N 1 1 354.494 3.726 40 0 endogenous,in-man FHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccc(OC)c1OC ZINC000019527217 204686797 /nfs/dbraw/zinc/68/67/97/204686797.db2.gz PFOCQSACHCROIP-HXUWFJFHSA-N 1 1 369.509 3.585 40 0 FHABMO Cc1ccc([C@@H](NC(=O)CC[N@@H+]2CCCC[C@@H]2C)c2cccnc2)cc1 ZINC000036734476 205020574 /nfs/dbraw/zinc/02/05/74/205020574.db2.gz DSPBPKLMHZTKCQ-PGRDOPGGSA-N 1 1 351.494 3.860 40 0 FHABMO C[C@H](CC[N@H+]1CC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1)c1ccccc1 ZINC000036719527 205021497 /nfs/dbraw/zinc/02/14/97/205021497.db2.gz WTNDVPBYVSXRMO-XLIONFOSSA-N 1 1 374.488 3.815 40 0 FHABMO COc1ccc(OC)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038834776 205043583 /nfs/dbraw/zinc/04/35/83/205043583.db2.gz VBXHZWNUQHQSCD-INIZCTEOSA-N 1 1 372.440 3.694 40 0 FHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H](C)COc2ccccc2C)cc1 ZINC000044852680 205113108 /nfs/dbraw/zinc/11/31/08/205113108.db2.gz BQTXWQYYBQRDIU-KRWDZBQOSA-N 1 1 363.461 3.746 40 0 FHABMO CCn1c2ccccc2nc1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000057823245 205246016 /nfs/dbraw/zinc/24/60/16/205246016.db2.gz PFROBFLUELOLLC-UHFFFAOYSA-N 1 1 353.441 3.679 40 0 FHABMO COC(C)(C)C(=O)N1CCC[C@@H]1c1cc(Nc2nccs2)cc(C)[nH+]1 ZINC000072372731 205520996 /nfs/dbraw/zinc/52/09/96/205520996.db2.gz ZCEIXZDWLFREJK-OAHLLOKOSA-N 1 1 360.483 3.679 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000107728392 206023572 /nfs/dbraw/zinc/02/35/72/206023572.db2.gz QQTZKGMAIOOPOE-CTNGQTDRSA-N 1 1 356.441 3.680 40 0 FHABMO CC(=O)Nc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000049169375 206085837 /nfs/dbraw/zinc/08/58/37/206085837.db2.gz DBNPXYPXMLZLQB-SFHVURJKSA-N 1 1 362.433 3.685 40 0 biogenic,in-vitro FHABMO COc1ccc(-c2[nH+]c3c(C)cccn3c2NC[C@@H]2CCCO2)c(OC)c1 ZINC000000883886 206137455 /nfs/dbraw/zinc/13/74/55/206137455.db2.gz OBLLRZJGFZSMQM-INIZCTEOSA-N 1 1 367.449 3.918 40 0 FHABMO CCOc1ccccc1CN(Cc1cccnc1)C[C@H]1CCC[N@H+]1CC ZINC000022931722 206396223 /nfs/dbraw/zinc/39/62/23/206396223.db2.gz XYDJCNBCBLODHK-OAQYLSRUSA-N 1 1 353.510 3.967 40 0 FHABMO C[N@H+]1CCCC[C@@H]2N(C(=O)COc3ccccc3Cl)CCC[C@@]21C ZINC000257339211 206627501 /nfs/dbraw/zinc/62/75/01/206627501.db2.gz ZASNOHVGCAOTQW-HKUYNNGSSA-N 1 1 350.890 3.584 40 0 FHABMO COC(=O)c1ccc2c(c1)CCN(c1cc[nH+]c(NC3CCCCC3)n1)C2 ZINC000328975731 132371990 /nfs/dbraw/zinc/37/19/90/132371990.db2.gz FLRFIKOTOYJHEQ-UHFFFAOYSA-N 1 1 366.465 3.571 40 0 FHABMO Cc1nc(NC2CCCC2)cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]1 ZINC000329021372 132372636 /nfs/dbraw/zinc/37/26/36/132372636.db2.gz OGTAECQCEKGKKQ-CQSZACIVSA-N 1 1 352.482 3.756 40 0 FHABMO CC[C@H](C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]c(C)n1 ZINC000329066918 132373309 /nfs/dbraw/zinc/37/33/09/132373309.db2.gz YEVCYGQOZGCTOY-AWEZNQCLSA-N 1 1 354.498 3.786 40 0 FHABMO CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000020492699 522875197 /nfs/dbraw/zinc/87/51/97/522875197.db2.gz DJSUFNGCTULXRI-FQEVSTJZSA-N 1 1 367.424 3.794 40 0 FHABMO COc1ccccc1C[N@@H+]1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225486672 560042597 /nfs/dbraw/zinc/04/25/97/560042597.db2.gz PIXOHDSMHOYPAQ-KRWDZBQOSA-N 1 1 356.397 3.565 40 0 biogenic,in-vitro FHABMO COc1ccccc1C[N@H+]1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225486672 560042599 /nfs/dbraw/zinc/04/25/99/560042599.db2.gz PIXOHDSMHOYPAQ-KRWDZBQOSA-N 1 1 356.397 3.565 40 0 biogenic,in-vitro FHABMO Cc1cc2nc(CO[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3F)[nH]c2cc1C ZINC000096112331 560060715 /nfs/dbraw/zinc/06/07/15/560060715.db2.gz XZCOQSSUDLICAP-XLIONFOSSA-N 1 1 353.441 3.919 40 0 biogenic,in-vitro FHABMO Cc1cc2nc(CO[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3F)[nH]c2cc1C ZINC000096112331 560060717 /nfs/dbraw/zinc/06/07/17/560060717.db2.gz XZCOQSSUDLICAP-XLIONFOSSA-N 1 1 353.441 3.919 40 0 biogenic,in-vitro FHABMO Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)o1 ZINC000096040097 570472928 /nfs/dbraw/zinc/47/29/28/570472928.db2.gz NRNMFJVMMBDKMM-LEWJYISDSA-N 1 1 356.466 3.571 40 0 FHABMO CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048010 570473728 /nfs/dbraw/zinc/47/37/28/570473728.db2.gz GLASKMKXFKOYEI-LJQANCHMSA-N 1 1 358.457 3.674 40 0 FHABMO COc1ccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2)cc1 ZINC000096047624 570473848 /nfs/dbraw/zinc/47/38/48/570473848.db2.gz VODNQTIRZLLDHJ-TZIWHRDSSA-N 1 1 356.441 3.680 40 0 FHABMO Cc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)s1 ZINC000096052255 570474354 /nfs/dbraw/zinc/47/43/54/570474354.db2.gz NSGYEQMYCRFHSG-LJQANCHMSA-N 1 1 370.518 3.924 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)cc1 ZINC000096050573 570474493 /nfs/dbraw/zinc/47/44/93/570474493.db2.gz DDGSVEIXXDODSO-QHCPKHFHSA-N 1 1 364.489 3.628 40 0 FHABMO COc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccc(C)s4)C3)C2=O)c1 ZINC000096050660 570474611 /nfs/dbraw/zinc/47/46/11/570474611.db2.gz QBRGDNOPCHCWNX-OAQYLSRUSA-N 1 1 370.518 3.690 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)cc1 ZINC000096057069 570474616 /nfs/dbraw/zinc/47/46/16/570474616.db2.gz KDSCUESDDWYUPH-IFMALSPDSA-N 1 1 368.477 3.540 40 0 FHABMO Cc1ccsc1C[N@H+]1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 ZINC000096107307 570475541 /nfs/dbraw/zinc/47/55/41/570475541.db2.gz HDWUAYXTQDVIGE-QUCCMNQESA-N 1 1 358.507 3.792 40 0 FHABMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4csc(C)n4)C3)C2)c1 ZINC000096215576 570479436 /nfs/dbraw/zinc/47/94/36/570479436.db2.gz ZDPYZLFPSVWZAX-OAQYLSRUSA-N 1 1 371.550 3.948 40 0 FHABMO O=C(Nc1ccccc1)N1CCC[C@@]2(CCC[N@H+]2Cc2cccnc2)C1 ZINC000096214626 570479587 /nfs/dbraw/zinc/47/95/87/570479587.db2.gz OSFDRNWAWDBANT-OAQYLSRUSA-N 1 1 350.466 3.744 40 0 FHABMO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2C[C@@]1(O)CC[C@H](c2ccccc2)CC1 ZINC000585282319 570493039 /nfs/dbraw/zinc/49/30/39/570493039.db2.gz DMGUBLPPFCOWNJ-ODAXIHTASA-N 1 1 370.537 3.551 40 0 FHABMO C[C@]12CCC[N@@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)[C@H]1CCCC(=O)N2 ZINC000585283963 570493582 /nfs/dbraw/zinc/49/35/82/570493582.db2.gz PVNOJCAXNZSTCK-BAMDZGJYSA-N 1 1 370.537 3.599 40 0 FHABMO Cc1ccc(N2CCC(O)(C[N@H+]3CCC[C@H]4OC(C)(C)CC[C@H]43)CC2)cc1 ZINC000585286613 570494664 /nfs/dbraw/zinc/49/46/64/570494664.db2.gz PFQJUXFXOJYKNL-NHCUHLMSSA-N 1 1 372.553 3.748 40 0 FHABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)[C@H]1CC=CCC1 ZINC000100687662 570506754 /nfs/dbraw/zinc/50/67/54/570506754.db2.gz RFNKGEGOGLAGJD-OTWHNJEPSA-N 1 1 372.557 3.570 40 0 FHABMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2c[nH+]c(N(C)C)cc2C)cc1 ZINC000072218718 570534536 /nfs/dbraw/zinc/53/45/36/570534536.db2.gz WLKFFBGKLRBCCJ-LJQANCHMSA-N 1 1 373.522 3.680 40 0 FHABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000072227934 570535306 /nfs/dbraw/zinc/53/53/06/570535306.db2.gz REVINFKQSPRNON-LSDHHAIUSA-N 1 1 370.758 3.783 40 0 FHABMO [NH3+][C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1Cl ZINC000072227303 570535866 /nfs/dbraw/zinc/53/58/66/570535866.db2.gz AULXWCWDQOFAMG-KBPBESRZSA-N 1 1 351.631 3.518 40 0 FHABMO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072345973 570538035 /nfs/dbraw/zinc/53/80/35/570538035.db2.gz JMKFNPRLBRGUFB-MRXNPFEDSA-N 1 1 363.440 3.640 40 0 FHABMO COc1ccc(-c2noc([C@H]3CC[N@@H+](Cc4ccccc4F)C3)n2)cc1 ZINC000072369914 570546543 /nfs/dbraw/zinc/54/65/43/570546543.db2.gz WIGOQMNBEVAORZ-INIZCTEOSA-N 1 1 353.397 3.874 40 0 FHABMO COc1ccc(-c2noc([C@H]3CC[N@@H+](Cc4cccc(OC)c4)C3)n2)cc1 ZINC000072369924 570546752 /nfs/dbraw/zinc/54/67/52/570546752.db2.gz HGHOZMSIGOZAKC-KRWDZBQOSA-N 1 1 365.433 3.743 40 0 FHABMO CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408681181 570641530 /nfs/dbraw/zinc/64/15/30/570641530.db2.gz PTWNLPYSBQNCHL-FQEVSTJZSA-N 1 1 372.896 3.842 40 0 FHABMO CC(C)c1[nH+]ccn1CC(=O)N[C@H](Cc1ccsc1)c1nccs1 ZINC000012087887 570717655 /nfs/dbraw/zinc/71/76/55/570717655.db2.gz RNVHAWOBEZLBNB-CQSZACIVSA-N 1 1 360.508 3.625 40 0 FHABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128490 570720733 /nfs/dbraw/zinc/72/07/33/570720733.db2.gz CGSBQWGGUSHRQJ-VQTJNVASSA-N 1 1 351.425 3.941 40 0 FHABMO CCCn1nc(C)c(C[N@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)c1C ZINC000012242225 570730954 /nfs/dbraw/zinc/73/09/54/570730954.db2.gz WBJKJTCBYJGMJZ-NRFANRHFSA-N 1 1 359.489 3.923 40 0 FHABMO CCCO[C@@H]1CCC[N@@H+](Cc2cn(CC(=O)NC(C)C)c3ccccc23)C1 ZINC000012364446 570738805 /nfs/dbraw/zinc/73/88/05/570738805.db2.gz GSLSGQLOTILTGT-LJQANCHMSA-N 1 1 371.525 3.557 40 0 FHABMO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)[nH]1 ZINC000013268244 570776050 /nfs/dbraw/zinc/77/60/50/570776050.db2.gz HFZXAAXJIWGISF-FUHWJXTLSA-N 1 1 350.466 3.780 40 0 FHABMO COc1ccc(C)cc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1ncccc1C ZINC000019133233 570880950 /nfs/dbraw/zinc/88/09/50/570880950.db2.gz MVIJRIXUBRTWSZ-DETIRCLXSA-N 1 1 366.505 3.827 40 0 FHABMO COc1ccc(OC)c([C@@H](O)C[N@@H+]2CCc3[nH]c4c(cccc4C)c3C2)c1 ZINC000019236582 570883631 /nfs/dbraw/zinc/88/36/31/570883631.db2.gz WOFMNKFZKWVRHG-FQEVSTJZSA-N 1 1 366.461 3.585 40 0 FHABMO COc1ccc(OC)c([C@@H](O)C[N@H+]2CCc3[nH]c4c(cccc4C)c3C2)c1 ZINC000019236582 570883635 /nfs/dbraw/zinc/88/36/35/570883635.db2.gz WOFMNKFZKWVRHG-FQEVSTJZSA-N 1 1 366.461 3.585 40 0 FHABMO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000019348997 570886814 /nfs/dbraw/zinc/88/68/14/570886814.db2.gz WKVXUUXKSDMWMC-CYBMUJFWSA-N 1 1 361.371 3.581 40 0 FHABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019454461 570889548 /nfs/dbraw/zinc/88/95/48/570889548.db2.gz CCOSODGILULLID-KRWDZBQOSA-N 1 1 365.481 3.679 40 0 FHABMO Cc1[nH+]ccn1CCC1CCN(C(=O)c2cc(C)nc3ccccc32)CC1 ZINC000019657220 570896847 /nfs/dbraw/zinc/89/68/47/570896847.db2.gz ANGZJZIGHHJICV-UHFFFAOYSA-N 1 1 362.477 3.991 40 0 FHABMO COc1ccc(CCC(=O)N2CCC([C@@H]3CCCC[N@H+]3C)CC2)cc1C ZINC000019747104 570902203 /nfs/dbraw/zinc/90/22/03/570902203.db2.gz SYIBTWAVZGQIPT-FQEVSTJZSA-N 1 1 358.526 3.659 40 0 FHABMO COC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020037688 570909040 /nfs/dbraw/zinc/90/90/40/570909040.db2.gz AUHSZDQJJDKBSU-INIZCTEOSA-N 1 1 366.461 3.957 40 0 FHABMO COC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000022530949 570945928 /nfs/dbraw/zinc/94/59/28/570945928.db2.gz JKSKLVBIWDLNAF-MRXNPFEDSA-N 1 1 366.461 3.957 40 0 FHABMO CN(CCCOc1ccccc1)CC[N@@H+](C)CCCOc1ccccc1 ZINC000022581211 570946796 /nfs/dbraw/zinc/94/67/96/570946796.db2.gz LYXARFOCZSZJSP-UHFFFAOYSA-N 1 1 356.510 3.788 40 0 FHABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000224989042 571008923 /nfs/dbraw/zinc/00/89/23/571008923.db2.gz DRVHXZLGESVDJA-IYBDPMFKSA-N 1 1 366.933 3.982 40 0 FHABMO Fc1ccccc1C[N@H+]1CC[C@@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306138576 571040750 /nfs/dbraw/zinc/04/07/50/571040750.db2.gz SAZFRXITENAZET-QHCPKHFHSA-N 1 1 374.463 3.780 40 0 FHABMO Fc1ccc(C[N@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)cc1 ZINC000306139169 571041120 /nfs/dbraw/zinc/04/11/20/571041120.db2.gz SRGIBSMHBJCYNV-HSZRJFAPSA-N 1 1 374.463 3.780 40 0 FHABMO c1cc(C[N@H+]2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cs1 ZINC000306140055 571041646 /nfs/dbraw/zinc/04/16/46/571041646.db2.gz UIJLVGXJRRJFTQ-GOSISDBHSA-N 1 1 357.504 3.848 40 0 FHABMO c1cc(C[N@H+]2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cs1 ZINC000306140056 571041693 /nfs/dbraw/zinc/04/16/93/571041693.db2.gz UIJLVGXJRRJFTQ-SFHVURJKSA-N 1 1 357.504 3.848 40 0 FHABMO Fc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cc1 ZINC000306142153 571042064 /nfs/dbraw/zinc/04/20/64/571042064.db2.gz WRNNJBVLUGFNET-FQEVSTJZSA-N 1 1 369.465 3.926 40 0 FHABMO CO[C@](C)(C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260812604 571123300 /nfs/dbraw/zinc/12/33/00/571123300.db2.gz HPNWLUCIFZUJJA-IERDGZPVSA-N 1 1 360.498 3.693 40 0 FHABMO COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000247888578 571126255 /nfs/dbraw/zinc/12/62/55/571126255.db2.gz SJFJZXCSPLNLBZ-IBGZPJMESA-N 1 1 371.550 3.504 40 0 FHABMO C[C@H]1CCCC[N@H+]1CCS(=O)(=O)Oc1ccc(Cl)cc1Cl ZINC000255190603 571142485 /nfs/dbraw/zinc/14/24/85/571142485.db2.gz YHHSKMXBWODITL-NSHDSACASA-N 1 1 352.283 3.576 40 0 FHABMO O=C1c2ccccc2CCN1C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000257209783 571150173 /nfs/dbraw/zinc/15/01/73/571150173.db2.gz BRWGWVADAOQLPS-UHFFFAOYSA-N 1 1 356.416 3.628 40 0 FHABMO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@@H+](Cc3nccs3)C2)n1 ZINC000257213036 571150974 /nfs/dbraw/zinc/15/09/74/571150974.db2.gz CFXQDHRWVKYRLN-HNNXBMFYSA-N 1 1 354.479 3.875 40 0 FHABMO CC1(C)CC2(CO1)CC[NH+](CC(=O)Nc1cccc(C(F)(F)F)c1)CC2 ZINC000257239135 571153411 /nfs/dbraw/zinc/15/34/11/571153411.db2.gz HOCCZTQIMJPJEO-UHFFFAOYSA-N 1 1 370.415 3.925 40 0 FHABMO Cc1cccc(Nc2cc([C@@H]3CCC[N@@H+](Cc4nccn4C)C3)ccn2)n1 ZINC000257242746 571153565 /nfs/dbraw/zinc/15/35/65/571153565.db2.gz IDYQMMNQNFDWOH-GOSISDBHSA-N 1 1 362.481 3.642 40 0 FHABMO Cc1cccc(Nc2cc([C@@H]3CCC[N@H+](Cc4nccn4C)C3)ccn2)n1 ZINC000257242746 571153566 /nfs/dbraw/zinc/15/35/66/571153566.db2.gz IDYQMMNQNFDWOH-GOSISDBHSA-N 1 1 362.481 3.642 40 0 FHABMO Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)[N@@H+]1Cc1ccc(OCC(C)C)cc1 ZINC000257255603 571154762 /nfs/dbraw/zinc/15/47/62/571154762.db2.gz KIDRPTLXTRSOTG-ZWKOTPCHSA-N 1 1 367.493 3.657 40 0 FHABMO CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCC[N@H+]2Cc1coc(C)n1 ZINC000257263075 571155678 /nfs/dbraw/zinc/15/56/78/571155678.db2.gz LOHACAUADQCCIK-FKBYEOEOSA-N 1 1 367.493 3.742 40 0 FHABMO Cc1ccc(C[N@H+]2CCC[C@H](c3ccnc(Nc4ncccn4)c3)C2)cn1 ZINC000257283982 571158142 /nfs/dbraw/zinc/15/81/42/571158142.db2.gz PATSDCSTPMTKOS-IBGZPJMESA-N 1 1 360.465 3.698 40 0 FHABMO Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@@H+]3C2CCOCC2)c1 ZINC000257298130 571159340 /nfs/dbraw/zinc/15/93/40/571159340.db2.gz RKHTWZGMQNNVBS-RTWAWAEBSA-N 1 1 356.510 3.520 40 0 FHABMO CNc1ncccc1C[N@@H+]1CCC[C@H]1c1cncc(-c2c(C)noc2C)n1 ZINC000257325474 571162316 /nfs/dbraw/zinc/16/23/16/571162316.db2.gz WTBBOIQXWMWDIV-SFHVURJKSA-N 1 1 364.453 3.522 40 0 FHABMO CNc1ncccc1C[N@H+]1CCC[C@H]1c1cncc(-c2c(C)noc2C)n1 ZINC000257325474 571162319 /nfs/dbraw/zinc/16/23/19/571162319.db2.gz WTBBOIQXWMWDIV-SFHVURJKSA-N 1 1 364.453 3.522 40 0 FHABMO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+](Cc3ccnn3C)C2)ccn1 ZINC000257332771 571162574 /nfs/dbraw/zinc/16/25/74/571162574.db2.gz XYOJAALUTNUDQY-GOSISDBHSA-N 1 1 362.481 3.642 40 0 FHABMO COc1ccc(OC)c(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)c1 ZINC000072334248 571178694 /nfs/dbraw/zinc/17/86/94/571178694.db2.gz COJZALNOCPGTCI-UHFFFAOYSA-N 1 1 369.461 3.648 40 0 FHABMO COc1cc2c(cc1OC)[C@@H](C)[N@H+]([C@@H]1CCCN(C(=O)CC(C)C)C1)CC2 ZINC000072342509 571179800 /nfs/dbraw/zinc/17/98/00/571179800.db2.gz BXLVLBPVMABBGJ-SJLPKXTDSA-N 1 1 374.525 3.660 40 0 FHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072348745 571180219 /nfs/dbraw/zinc/18/02/19/571180219.db2.gz HFLDCLUZYQISMQ-SFHVURJKSA-N 1 1 369.484 3.936 40 0 FHABMO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357643 571182749 /nfs/dbraw/zinc/18/27/49/571182749.db2.gz NXSQKXUHENXISO-OAQYLSRUSA-N 1 1 369.484 3.817 40 0 FHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357643 571182750 /nfs/dbraw/zinc/18/27/50/571182750.db2.gz NXSQKXUHENXISO-OAQYLSRUSA-N 1 1 369.484 3.817 40 0 FHABMO COc1cccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3cnn(C)c3)n2)c1 ZINC000072358128 571183221 /nfs/dbraw/zinc/18/32/21/571183221.db2.gz XEYQAETWEXXLJU-JOCHJYFZSA-N 1 1 362.477 3.752 40 0 FHABMO Cc1ccc(Nc2nccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)nc1 ZINC000072377638 571186658 /nfs/dbraw/zinc/18/66/58/571186658.db2.gz WKJSWGXEDHLMGG-GOSISDBHSA-N 1 1 360.465 3.698 40 0 FHABMO Cc1[nH+]ccn1-c1cccc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000072378965 571187239 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C[N@@H+](C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000226072363 206119479 /nfs/dbraw/zinc/11/94/79/206119479.db2.gz CMDQADNQFUBQEP-RKRCHRGQSA-N 1 1 365.558 3.614 40 0 FHABMO COc1ccc(CN(C(=O)c2ccco2)[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004325757 206173739 /nfs/dbraw/zinc/17/37/39/206173739.db2.gz SUTXCIMFRCHMFF-MDZRGWNJSA-N 1 1 356.466 3.659 40 0 FHABMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(Br)cc1)C2 ZINC000004887180 206183481 /nfs/dbraw/zinc/18/34/81/206183481.db2.gz SCKFSSSZHLIFAQ-ALOPSCKCSA-N 1 1 365.315 3.974 40 0 FHABMO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3CCCc3ccccc3)n2)c1 ZINC000015674379 206316148 /nfs/dbraw/zinc/31/61/48/206316148.db2.gz CZLWINAISHOUPX-UXHICEINSA-N 1 1 363.461 3.786 40 0 biogenic,in-vitro FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 ZINC000216409637 206359920 /nfs/dbraw/zinc/35/99/20/206359920.db2.gz WIBKBZABHXAPFB-QGZVFWFLSA-N 1 1 363.461 3.881 40 0 FHABMO CC(C)[C@@H](CO)Nc1nc(N2Cc3ccccc3C[C@H]2C)cc(C2CC2)[nH+]1 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FHABMO c1csc(C[N@H+]2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306124110 571213127 /nfs/dbraw/zinc/21/31/27/571213127.db2.gz BGHCPONYBNOAJD-KRWDZBQOSA-N 1 1 361.474 3.842 40 0 FHABMO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3ccoc3)CC2)S1(=O)=O ZINC000306129963 571213860 /nfs/dbraw/zinc/21/38/60/571213860.db2.gz ISRJIRJCELJKOL-UHFFFAOYSA-N 1 1 374.506 3.577 40 0 FHABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3cccs3)C[C@H]2N1Cc1cccs1 ZINC000306129280 571213885 /nfs/dbraw/zinc/21/38/85/571213885.db2.gz HZESFJZYERNBNZ-ZWKOTPCHSA-N 1 1 369.515 3.693 40 0 FHABMO c1cncc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306129715 571213942 /nfs/dbraw/zinc/21/39/42/571213942.db2.gz IKVOQIJZPXQKLY-FQEVSTJZSA-N 1 1 370.460 3.566 40 0 FHABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)[C@H]1CC=CCC1 ZINC000257297038 571215577 /nfs/dbraw/zinc/21/55/77/571215577.db2.gz RFNKGEGOGLAGJD-FHWLQOOXSA-N 1 1 372.557 3.570 40 0 FHABMO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@@H](C)C4)C3)CC2)cc1 ZINC000585104809 571224234 /nfs/dbraw/zinc/22/42/34/571224234.db2.gz SXELTGKCEFUTEE-TZIWHRDSSA-N 1 1 370.537 3.738 40 0 FHABMO COc1ccccc1C[NH+]1CC2(C1)C[C@@H](OCc1cccc(C)n1)CS2 ZINC000585105169 571224392 /nfs/dbraw/zinc/22/43/92/571224392.db2.gz PKAYGGIHMNIWEM-LJQANCHMSA-N 1 1 370.518 3.675 40 0 FHABMO CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]21 ZINC000585109526 571224746 /nfs/dbraw/zinc/22/47/46/571224746.db2.gz VZSJKUVLCHUQNZ-XYJFISCASA-N 1 1 355.507 3.576 40 0 FHABMO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cccc(-c3ccccn3)c2)CC1 ZINC000128997345 571275371 /nfs/dbraw/zinc/27/53/71/571275371.db2.gz YWQUXMSTEZTNGD-XZOQPEGZSA-N 1 1 365.521 3.606 40 0 FHABMO CC(=O)N1Cc2ccccc2O[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC000247950273 571290917 /nfs/dbraw/zinc/29/09/17/571290917.db2.gz QMGLMUCBHRPOGI-VIZSFHNOSA-N 1 1 368.521 3.864 40 0 FHABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCCCC[C@H]1c1ccn(C)n1 ZINC000248094234 571291090 /nfs/dbraw/zinc/29/10/90/571291090.db2.gz CUCHGCHVFURNDD-APWZRJJASA-N 1 1 355.482 3.945 40 0 FHABMO CCN(C(=O)Cc1c[nH]c2ccccc12)[C@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000019695726 571304298 /nfs/dbraw/zinc/30/42/98/571304298.db2.gz YTWLLOURGVRFHS-GOSISDBHSA-N 1 1 353.510 3.966 40 0 FHABMO Fc1ccc(OCc2cc([C@H]3CC[N@@H+](Cc4cccnc4)C3)n[nH]2)cc1 ZINC000019704841 571304547 /nfs/dbraw/zinc/30/45/47/571304547.db2.gz DPEGXQZVHQGKTC-INIZCTEOSA-N 1 1 352.413 3.512 40 0 FHABMO Fc1ccc(OCc2cc([C@H]3CC[N@H+](Cc4cccnc4)C3)[nH]n2)cc1 ZINC000019704841 571304548 /nfs/dbraw/zinc/30/45/48/571304548.db2.gz DPEGXQZVHQGKTC-INIZCTEOSA-N 1 1 352.413 3.512 40 0 FHABMO Fc1ccc(OCc2cc([C@H]3CC[N@@H+](Cc4cccnc4)C3)[nH]n2)cc1 ZINC000019704841 571304549 /nfs/dbraw/zinc/30/45/49/571304549.db2.gz DPEGXQZVHQGKTC-INIZCTEOSA-N 1 1 352.413 3.512 40 0 FHABMO COc1cc(C[N@H+]2CC[C@]3(C)[C@H]2CCCCC(=O)N3C)ccc1OC(C)C ZINC000019713706 571304831 /nfs/dbraw/zinc/30/48/31/571304831.db2.gz SHOCKDQIXWQUAC-IFMALSPDSA-N 1 1 374.525 3.848 40 0 FHABMO CC(C)(C)NC(=O)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241778 571305000 /nfs/dbraw/zinc/30/50/00/571305000.db2.gz MFSIZTIUJGXUBO-UHFFFAOYSA-N 1 1 365.521 3.533 40 0 FHABMO CCOc1ccc([C@H]([NH3+])c2nnc(-c3cccc(C)c3)[nH]2)cc1OCC ZINC000095534600 571331347 /nfs/dbraw/zinc/33/13/47/571331347.db2.gz XOLAWBRYHFIUOD-SFHVURJKSA-N 1 1 352.438 3.626 40 0 FHABMO CCOc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccco2)cc1 ZINC000004886300 204173686 /nfs/dbraw/zinc/17/36/86/204173686.db2.gz VWBHMZCLPVINSK-AYHJJNSGSA-N 1 1 369.465 3.995 40 0 FHABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1OC ZINC000038834959 205043452 /nfs/dbraw/zinc/04/34/52/205043452.db2.gz IMSBDKWKWHEUBL-MRXNPFEDSA-N 1 1 372.440 3.694 40 0 FHABMO CC(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038858348 205044773 /nfs/dbraw/zinc/04/47/73/205044773.db2.gz HRERUBWYSNPFQB-SFHVURJKSA-N 1 1 354.425 3.879 40 0 FHABMO CCOc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044912583 205114660 /nfs/dbraw/zinc/11/46/60/205114660.db2.gz ZSJNCLHOTWCRLT-IBGZPJMESA-N 1 1 370.468 3.753 40 0 FHABMO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044933201 205114729 /nfs/dbraw/zinc/11/47/29/205114729.db2.gz CQWZUCZOPYPKQP-VQIMIIECSA-N 1 1 370.468 3.924 40 0 FHABMO C[N@H+](CC(=O)c1ccc(I)cc1)Cc1ccccc1 ZINC000059857510 205283234 /nfs/dbraw/zinc/28/32/34/205283234.db2.gz OPXXIVMLSPAKJF-UHFFFAOYSA-N 1 1 365.214 3.606 40 0 FHABMO C[N@@H+](CC(=O)c1ccc(I)cc1)Cc1ccccc1 ZINC000059857510 205283239 /nfs/dbraw/zinc/28/32/39/205283239.db2.gz OPXXIVMLSPAKJF-UHFFFAOYSA-N 1 1 365.214 3.606 40 0 FHABMO COc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000072359072 205517305 /nfs/dbraw/zinc/51/73/05/205517305.db2.gz KQISKZSOZKGPJP-INIZCTEOSA-N 1 1 353.466 3.511 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(COc4ccc(F)cc4)o3)C2)o1 ZINC000049170392 206085924 /nfs/dbraw/zinc/08/59/24/206085924.db2.gz CMMZPYYKBVYNTP-AWEZNQCLSA-N 1 1 357.385 3.679 40 0 biogenic,in-vitro FHABMO COc1ccc(-c2[nH+]c3cccc(C)n3c2NC[C@H]2CCCO2)cc1O ZINC000000904110 206139258 /nfs/dbraw/zinc/13/92/58/206139258.db2.gz ZVBLWCAXKMINSL-OAHLLOKOSA-N 1 1 353.422 3.615 40 0 FHABMO COc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000013152602 206301895 /nfs/dbraw/zinc/30/18/95/206301895.db2.gz FDLCAYMOZUDADK-YQQQUEKLSA-N 1 1 350.462 3.621 40 0 FHABMO OCC[N@H+](Cc1cccnc1)Cc1ccccc1OCc1cccc(F)c1 ZINC000013569640 206302556 /nfs/dbraw/zinc/30/25/56/206302556.db2.gz OPFICVZVILFOKC-UHFFFAOYSA-N 1 1 366.436 3.794 40 0 FHABMO OCC[N@@H+](Cc1cccnc1)Cc1ccccc1OCc1cccc(F)c1 ZINC000013569640 206302560 /nfs/dbraw/zinc/30/25/60/206302560.db2.gz OPFICVZVILFOKC-UHFFFAOYSA-N 1 1 366.436 3.794 40 0 FHABMO CC(=O)Nc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000013993969 206306957 /nfs/dbraw/zinc/30/69/57/206306957.db2.gz KVEZMONWOHMJJR-NRFANRHFSA-N 1 1 356.441 3.965 40 0 FHABMO Fc1ccc(Cn2nnnc2[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000019343045 206326270 /nfs/dbraw/zinc/32/62/70/206326270.db2.gz QLYRCNUDUMNWHD-GOSISDBHSA-N 1 1 371.485 3.887 40 0 FHABMO O=c1ccc(-c2cccnc2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cccs2)C1 ZINC000020503452 206337019 /nfs/dbraw/zinc/33/70/19/206337019.db2.gz DRZONTVMFRCCDE-DOTOQJQBSA-N 1 1 363.486 3.591 40 0 biogenic,in-vitro FHABMO CC[C@H](Oc1cccc(C)c1C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000216346236 206357628 /nfs/dbraw/zinc/35/76/28/206357628.db2.gz JOFNYKXKXRKBTK-NRFANRHFSA-N 1 1 366.505 3.805 40 0 FHABMO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc[nH+]c(NC3CC3)n1)C2 ZINC000329000694 132372244 /nfs/dbraw/zinc/37/22/44/132372244.db2.gz KBRHPMGOSNTRLD-UHFFFAOYSA-N 1 1 350.344 3.512 40 0 FHABMO COc1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NC3CCCC3)n1)C2 ZINC000329021355 132372525 /nfs/dbraw/zinc/37/25/25/132372525.db2.gz OGLISVHOHZWULX-UHFFFAOYSA-N 1 1 364.493 3.702 40 0 FHABMO Cc1nc(NC(C)C)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000329071596 132373208 /nfs/dbraw/zinc/37/32/08/132373208.db2.gz ZRHAHIBNTQQBFB-UHFFFAOYSA-N 1 1 361.287 3.931 40 0 FHABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)c1ccccc1 ZINC000257279510 521892425 /nfs/dbraw/zinc/89/24/25/521892425.db2.gz OGYMYLRGEOCTOV-IYARVYRRSA-N 1 1 368.525 3.528 40 0 FHABMO CC(C)c1ccccc1OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000222805403 568565472 /nfs/dbraw/zinc/56/54/72/568565472.db2.gz DICFJJVGUGRYNU-UHFFFAOYSA-N 1 1 352.478 3.533 40 0 FHABMO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)c1 ZINC000096040086 570472636 /nfs/dbraw/zinc/47/26/36/570472636.db2.gz QBORJASJTLBCMH-PMACEKPBSA-N 1 1 358.507 3.731 40 0 FHABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC000096040222 570473155 /nfs/dbraw/zinc/47/31/55/570473155.db2.gz IMVTZFCPCLNRMK-UXHICEINSA-N 1 1 358.507 3.731 40 0 FHABMO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc(F)cc3)CC2)N1Cc1ccncc1 ZINC000096047538 570473791 /nfs/dbraw/zinc/47/37/91/570473791.db2.gz PQWOGPMKXQMBSI-JOCHJYFZSA-N 1 1 367.468 3.768 40 0 FHABMO Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)s1 ZINC000096049551 570474149 /nfs/dbraw/zinc/47/41/49/570474149.db2.gz TVCMRNMMMSHAMW-HXUWFJFHSA-N 1 1 357.523 3.571 40 0 FHABMO O=C(Nc1ccccc1)[C@H]1C[N@@H+](Cc2ccsc2)CC12CCOCC2 ZINC000096052248 570474469 /nfs/dbraw/zinc/47/44/69/570474469.db2.gz FCOXYCLYFWLNRY-GOSISDBHSA-N 1 1 356.491 3.615 40 0 FHABMO Fc1ccc(CN2CCOC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000096062403 570475265 /nfs/dbraw/zinc/47/52/65/570475265.db2.gz WQPRAKNFAVDELK-FQEVSTJZSA-N 1 1 360.498 3.612 40 0 FHABMO CCc1cccc(NC(=O)N2CCCn3cnc(C[N@H+](C)C(C)C)c3C2)c1 ZINC000096259257 570479986 /nfs/dbraw/zinc/47/99/86/570479986.db2.gz KDAJDSMDKONIFU-UHFFFAOYSA-N 1 1 369.513 3.724 40 0 FHABMO CCc1cccc(NC(=O)N2CCCn3cnc(C[N@@H+](C)C(C)C)c3C2)c1 ZINC000096259257 570479989 /nfs/dbraw/zinc/47/99/89/570479989.db2.gz KDAJDSMDKONIFU-UHFFFAOYSA-N 1 1 369.513 3.724 40 0 FHABMO c1csc(CN2CCC3(C[C@@H]([NH2+][C@@H]4CCOC4)c4ccccc43)CC2)n1 ZINC000096241486 570480002 /nfs/dbraw/zinc/48/00/02/570480002.db2.gz YZYFEDWDMSHYBV-VQIMIIECSA-N 1 1 369.534 3.500 40 0 FHABMO CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](N(C)Cc2ccccc2)[C@H]1O ZINC000585261339 570480584 /nfs/dbraw/zinc/48/05/84/570480584.db2.gz SDFRFHHOLJJFRR-DNVJHFABSA-N 1 1 352.522 3.921 40 0 FHABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216403 570533346 /nfs/dbraw/zinc/53/33/46/570533346.db2.gz FSTUIIBEZZWSAD-GOSISDBHSA-N 1 1 374.529 3.686 40 0 FHABMO Cc1cc(N2CCOCC2)[nH+]cc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072219437 570534790 /nfs/dbraw/zinc/53/47/90/570534790.db2.gz PDJVHPPFINGXSH-HXUWFJFHSA-N 1 1 365.477 3.594 40 0 FHABMO Cc1[nH+]c(N2CCOCC2)ccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072219661 570534975 /nfs/dbraw/zinc/53/49/75/570534975.db2.gz DLTCEAVCHLSKAG-FQEVSTJZSA-N 1 1 365.477 3.594 40 0 FHABMO [NH3+][C@@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1Cl ZINC000072227302 570535714 /nfs/dbraw/zinc/53/57/14/570535714.db2.gz AULXWCWDQOFAMG-UONOGXRCSA-N 1 1 351.631 3.518 40 0 FHABMO Nc1cc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)ccn1 ZINC000072357461 570542662 /nfs/dbraw/zinc/54/26/62/570542662.db2.gz QMCXMSTYYGFBRX-IBGZPJMESA-N 1 1 361.493 3.866 40 0 FHABMO Cc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](Cc1ccsc1)c1nccs1 ZINC000012087880 570717665 /nfs/dbraw/zinc/71/76/65/570717665.db2.gz CLPMEVFGMCDBIQ-SWLSCSKDSA-N 1 1 360.508 3.761 40 0 FHABMO C[NH+](C)CC1CCC2(CC1)CN(Cc1ccncc1)Cc1ccccc1O2 ZINC000012088446 570717730 /nfs/dbraw/zinc/71/77/30/570717730.db2.gz KCZZNVVJZASCKP-UHFFFAOYSA-N 1 1 365.521 3.967 40 0 FHABMO Cc1ccc(C[N@@H+](Cc2c[nH]nc2-c2ccc(O)cc2)C[C@@H]2CCCO2)o1 ZINC000012143720 570722066 /nfs/dbraw/zinc/72/20/66/570722066.db2.gz DMFLKKRYYKCOHH-IBGZPJMESA-N 1 1 367.449 3.865 40 0 FHABMO Cc1ccc(C[N@H+](Cc2c[nH]nc2-c2ccc(O)cc2)C[C@@H]2CCCO2)o1 ZINC000012143720 570722071 /nfs/dbraw/zinc/72/20/71/570722071.db2.gz DMFLKKRYYKCOHH-IBGZPJMESA-N 1 1 367.449 3.865 40 0 FHABMO Cc1ccc(C[N@@H+](Cc2cccn2-c2ccc(C)cn2)C[C@H](C)O)s1 ZINC000012147977 570723273 /nfs/dbraw/zinc/72/32/73/570723273.db2.gz QBYMVZVVJJSUQW-INIZCTEOSA-N 1 1 355.507 3.934 40 0 FHABMO O[C@@H](C[N@@H+]1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012330562 570737440 /nfs/dbraw/zinc/73/74/40/570737440.db2.gz VLKIBWHKOJQQJN-FQEVSTJZSA-N 1 1 369.436 3.810 40 0 FHABMO C[C@H](Cc1ccccn1)NC(=O)[C@@H](c1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000019496321 570854959 /nfs/dbraw/zinc/85/49/59/570854959.db2.gz SUAITDBMAAHHOH-LVCYWYKZSA-N 1 1 351.494 3.745 40 0 FHABMO CSCC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1coc2ccc(C)cc2c1=O ZINC000019219849 570882256 /nfs/dbraw/zinc/88/22/56/570882256.db2.gz UXJIEXJRIZVFQR-ZWKOTPCHSA-N 1 1 372.534 3.503 40 0 FHABMO O=c1cc([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)nc(-c2ccncc2)[nH]1 ZINC000019334146 570886095 /nfs/dbraw/zinc/88/60/95/570886095.db2.gz PJIMHKNSVWFAGN-IBGZPJMESA-N 1 1 364.424 3.698 40 0 FHABMO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)nc(-c2ccncc2)[nH]1 ZINC000019334146 570886097 /nfs/dbraw/zinc/88/60/97/570886097.db2.gz PJIMHKNSVWFAGN-IBGZPJMESA-N 1 1 364.424 3.698 40 0 FHABMO OCC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(Oc2ccccc2)c1 ZINC000019373575 570887922 /nfs/dbraw/zinc/88/79/22/570887922.db2.gz WLUGVQIVOLACTM-UXHICEINSA-N 1 1 352.478 3.510 40 0 FHABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@H](c3nn(C)c4nccnc34)C2)c1 ZINC000019450875 570889247 /nfs/dbraw/zinc/88/92/47/570889247.db2.gz LOBIIJOYXGJJKQ-KRWDZBQOSA-N 1 1 365.481 3.530 40 0 FHABMO COc1ccc(Cc2cnc(NC(=O)Cn3cc[nH+]c3C(C)C)s2)cc1 ZINC000019454439 570889531 /nfs/dbraw/zinc/88/95/31/570889531.db2.gz JWYUWPRLILRTND-UHFFFAOYSA-N 1 1 370.478 3.701 40 0 FHABMO CCC[NH+]1CCN(C(=O)c2ncoc2-c2ccccc2C(F)(F)F)CC1 ZINC000019503397 570890689 /nfs/dbraw/zinc/89/06/89/570890689.db2.gz MURATVDQXBLILV-UHFFFAOYSA-N 1 1 367.371 3.528 40 0 FHABMO CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000019523530 570891134 /nfs/dbraw/zinc/89/11/34/570891134.db2.gz SSWSSPYAVRPXER-DLBZAZTESA-N 1 1 373.472 3.538 40 0 FHABMO CCc1[nH+]ccn1C[C@H](C)C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000019523602 570891216 /nfs/dbraw/zinc/89/12/16/570891216.db2.gz CXGNNXJDUUECJS-ZDUSSCGKSA-N 1 1 372.469 3.907 40 0 FHABMO COc1ccc(OC)c(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019551535 570892596 /nfs/dbraw/zinc/89/25/96/570892596.db2.gz FPKATSSZPDMEBI-INIZCTEOSA-N 1 1 351.450 3.960 40 0 FHABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(OC)c1 ZINC000019552291 570892650 /nfs/dbraw/zinc/89/26/50/570892650.db2.gz LAHDYYNMZFHNOU-INIZCTEOSA-N 1 1 351.450 3.960 40 0 FHABMO C[N@@H+]1CCc2nc([C@@H]3CCCCN3CCCc3ccccc3)ncc2C1 ZINC000019590310 570895267 /nfs/dbraw/zinc/89/52/67/570895267.db2.gz HTIAXXZBEGUVBM-NRFANRHFSA-N 1 1 350.510 3.624 40 0 FHABMO C[N@H+]1CCc2nc([C@@H]3CCCCN3CCCc3ccccc3)ncc2C1 ZINC000019590310 570895272 /nfs/dbraw/zinc/89/52/72/570895272.db2.gz HTIAXXZBEGUVBM-NRFANRHFSA-N 1 1 350.510 3.624 40 0 FHABMO O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000019660117 570897353 /nfs/dbraw/zinc/89/73/53/570897353.db2.gz SMHRNQRLPHTDOM-QGZVFWFLSA-N 1 1 354.416 3.771 40 0 FHABMO CCOC1CC[NH+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC000019715456 570899516 /nfs/dbraw/zinc/89/95/16/570899516.db2.gz BZGVDKSIBWPRJQ-UHFFFAOYSA-N 1 1 359.514 3.506 40 0 FHABMO COc1cccc([C@H]2CCC[N@H+]2Cc2sc(N3CCOCC3)nc2C)c1 ZINC000019715763 570899860 /nfs/dbraw/zinc/89/98/60/570899860.db2.gz DGPKSPGLGILZIY-GOSISDBHSA-N 1 1 373.522 3.634 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccc2Br)cc1 ZINC000020488588 570918008 /nfs/dbraw/zinc/91/80/08/570918008.db2.gz WYIUEWNIFBAUGR-UHFFFAOYSA-N 1 1 370.250 3.873 40 0 FHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)C1 ZINC000020490484 570918102 /nfs/dbraw/zinc/91/81/02/570918102.db2.gz SNFPUROPGGJRBV-INIZCTEOSA-N 1 1 366.461 3.942 40 0 FHABMO O=C(COc1cccc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005058 570927941 /nfs/dbraw/zinc/92/79/41/570927941.db2.gz NXWSUUHFDHQKKE-UHFFFAOYSA-N 1 1 360.457 3.563 40 0 FHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccccc3)cc2)C1 ZINC000224332778 570985441 /nfs/dbraw/zinc/98/54/41/570985441.db2.gz LSRFHJRKSXRTDX-GOSISDBHSA-N 1 1 352.478 3.727 40 0 FHABMO COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000225017095 571010546 /nfs/dbraw/zinc/01/05/46/571010546.db2.gz QZMXYQXOUUUCTL-SJLPKXTDSA-N 1 1 370.468 3.924 40 0 FHABMO Nc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000225324131 571028589 /nfs/dbraw/zinc/02/85/89/571028589.db2.gz MZKHGCKHFWWPGK-UHFFFAOYSA-N 1 1 371.484 3.816 40 0 FHABMO COc1ccc(-c2cnc3n2C[C@H]2C[N@H+](Cc4ccsc4)C[C@@H]2C3)cc1 ZINC000306138487 571040774 /nfs/dbraw/zinc/04/07/74/571040774.db2.gz RYSZQEBCAVUKDB-ZWKOTPCHSA-N 1 1 365.502 3.925 40 0 FHABMO Fc1ccccc1C[N@H+]1CC[C@@]2(CN(Cc3ccccn3)c3cccnc32)C1 ZINC000306139289 571041096 /nfs/dbraw/zinc/04/10/96/571041096.db2.gz SUBNZJOZMQSWOX-QHCPKHFHSA-N 1 1 374.463 3.780 40 0 FHABMO Cc1cccc(COCC[C@H]2CO[C@H]3C[N@@H+](Cc4ccccc4F)C[C@@H]23)n1 ZINC000306138681 571041107 /nfs/dbraw/zinc/04/11/07/571041107.db2.gz SEDWGPUHQCJHQY-VCOUNFBDSA-N 1 1 370.468 3.583 40 0 FHABMO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000030862578 571051517 /nfs/dbraw/zinc/05/15/17/571051517.db2.gz BTXGDBAHAYRKEH-FQEVSTJZSA-N 1 1 366.505 3.724 40 0 FHABMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)cc1OC ZINC000036753020 571081888 /nfs/dbraw/zinc/08/18/88/571081888.db2.gz ITUQECOUULIRNG-KRWDZBQOSA-N 1 1 351.450 3.928 40 0 FHABMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)cc1OC ZINC000036753020 571081890 /nfs/dbraw/zinc/08/18/90/571081890.db2.gz ITUQECOUULIRNG-KRWDZBQOSA-N 1 1 351.450 3.928 40 0 FHABMO CCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C)n1 ZINC000328989754 571106568 /nfs/dbraw/zinc/10/65/68/571106568.db2.gz IMJMWYONHCNZIU-UHFFFAOYSA-N 1 1 352.360 3.678 40 0 FHABMO CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2Cc3ccccc3C[C@@H]2C)[nH+]1 ZINC000329032829 571107834 /nfs/dbraw/zinc/10/78/34/571107834.db2.gz QQEODEBZAWJQQL-LPHOPBHVSA-N 1 1 368.525 3.980 40 0 FHABMO Cc1cccc(COC[C@@H]2C[C@@H]3OCC[N@H+](Cc4ccsc4)[C@H]3C2)n1 ZINC000247896733 571126315 /nfs/dbraw/zinc/12/63/15/571126315.db2.gz XODIJQKKRQVUFQ-IHPCNDPISA-N 1 1 358.507 3.648 40 0 FHABMO Cc1cccc(COC[C@@H]2C[C@@H]3OCC[N@@H+](Cc4ccsc4)[C@H]3C2)n1 ZINC000247896733 571126316 /nfs/dbraw/zinc/12/63/16/571126316.db2.gz XODIJQKKRQVUFQ-IHPCNDPISA-N 1 1 358.507 3.648 40 0 FHABMO Fc1ccccc1-c1cncc([C@H]2C[N@H+](CCc3ccccc3)CCO2)n1 ZINC000257202522 571149443 /nfs/dbraw/zinc/14/94/43/571149443.db2.gz AMFFKADDZWISTI-JOCHJYFZSA-N 1 1 363.436 3.899 40 0 FHABMO Fc1ccccc1-c1cncc([C@H]2C[N@@H+](CCc3ccccc3)CCO2)n1 ZINC000257202522 571149444 /nfs/dbraw/zinc/14/94/44/571149444.db2.gz AMFFKADDZWISTI-JOCHJYFZSA-N 1 1 363.436 3.899 40 0 FHABMO Fc1ccc(F)c(C[N@H+]2CCC[C@@H](Cc3cncc(-c4ncc[nH]4)n3)C2)c1 ZINC000257212934 571150885 /nfs/dbraw/zinc/15/08/85/571150885.db2.gz CFMOVGUOYCPGNB-AWEZNQCLSA-N 1 1 369.419 3.600 40 0 FHABMO Cc1noc(C)c1-c1cc(CC2CC[NH+](Cc3nccs3)CC2)ncn1 ZINC000257212955 571150962 /nfs/dbraw/zinc/15/09/62/571150962.db2.gz CFOZFQRNWNXGIG-UHFFFAOYSA-N 1 1 369.494 3.660 40 0 FHABMO CC(=O)N[C@@H]1C[C@H](c2ccc(-n3cc[nH+]c3C)cc2)O[C@@H]2CCCC[C@@H]12 ZINC000257270344 571156344 /nfs/dbraw/zinc/15/63/44/571156344.db2.gz MTUYTZLPFMWSHC-DOIPELPJSA-N 1 1 353.466 3.706 40 0 FHABMO CC1(C)CC2(CO1)CC[NH+](CC(=O)Nc1ccc(OC(F)F)cc1)CC2 ZINC000257286087 571158119 /nfs/dbraw/zinc/15/81/19/571158119.db2.gz PKDSBFKSDQTXCR-UHFFFAOYSA-N 1 1 368.424 3.508 40 0 FHABMO Cc1csc(Nc2cc(C)nc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)n2)n1 ZINC000257304852 571159855 /nfs/dbraw/zinc/15/98/55/571159855.db2.gz SNJXCPHBUWGPQE-MRXNPFEDSA-N 1 1 366.494 3.678 40 0 FHABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)C1CC1 ZINC000072337766 571179265 /nfs/dbraw/zinc/17/92/65/571179265.db2.gz BESPTAZEFHQBGC-WMZOPIPTSA-N 1 1 373.497 3.762 40 0 FHABMO COc1cccc(C[N@H+]2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)c1 ZINC000072340974 571179391 /nfs/dbraw/zinc/17/93/91/571179391.db2.gz HYMIIRVRJSDLIF-ZEYPLWLESA-N 1 1 367.489 3.824 40 0 FHABMO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072345944 571179939 /nfs/dbraw/zinc/17/99/39/571179939.db2.gz IJWSPPVTEOHGSZ-QGZVFWFLSA-N 1 1 363.440 3.640 40 0 FHABMO CCc1nccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072350506 571181633 /nfs/dbraw/zinc/18/16/33/571181633.db2.gz KILBUPKPLHTYPZ-QGZVFWFLSA-N 1 1 365.456 3.743 40 0 FHABMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2)n1)N1CCCCC1 ZINC000072357622 571182603 /nfs/dbraw/zinc/18/26/03/571182603.db2.gz FBIMFLIFTCLZGH-JOCHJYFZSA-N 1 1 363.505 3.822 40 0 FHABMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2)n1)N1CCCCC1 ZINC000072357622 571182607 /nfs/dbraw/zinc/18/26/07/571182607.db2.gz FBIMFLIFTCLZGH-JOCHJYFZSA-N 1 1 363.505 3.822 40 0 FHABMO COc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072358578 571183544 /nfs/dbraw/zinc/18/35/44/571183544.db2.gz LQNFRZZWVXJNRM-SFHVURJKSA-N 1 1 360.461 3.927 40 0 FHABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3cccs3)C[C@@H]2N1Cc1cccs1 ZINC000306129279 571213533 /nfs/dbraw/zinc/21/35/33/571213533.db2.gz HZESFJZYERNBNZ-ROUUACIJSA-N 1 1 369.515 3.693 40 0 FHABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3cccs3)C[C@H]2N1Cc1cccs1 ZINC000306129278 571213617 /nfs/dbraw/zinc/21/36/17/571213617.db2.gz HZESFJZYERNBNZ-QZTJIDSGSA-N 1 1 369.515 3.693 40 0 FHABMO COCC[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2 ZINC000585100295 571221471 /nfs/dbraw/zinc/22/14/71/571221471.db2.gz JUEBDCDWFSSSRP-LJQANCHMSA-N 1 1 368.880 3.586 40 0 FHABMO Cc1cccc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@@H](C)C4)C3)CC2)c1 ZINC000585103147 571223424 /nfs/dbraw/zinc/22/34/24/571223424.db2.gz DOKSTYXWDQIQNN-CTNGQTDRSA-N 1 1 370.537 3.738 40 0 FHABMO Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000248125526 571291181 /nfs/dbraw/zinc/29/11/81/571291181.db2.gz WUTXIZZJCLRCEZ-IIBYNOLFSA-N 1 1 368.525 3.611 40 0 FHABMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)C1 ZINC000012291608 571303492 /nfs/dbraw/zinc/30/34/92/571303492.db2.gz ZPEYWJQWUCUFET-OXQOHEQNSA-N 1 1 358.526 3.777 40 0 FHABMO c1cc(-c2ccc([C@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)nc2)n[nH]1 ZINC000019692432 571304290 /nfs/dbraw/zinc/30/42/90/571304290.db2.gz UDGBHSJEAVLRBQ-JOCHJYFZSA-N 1 1 371.444 3.593 40 0 FHABMO c1cc(-c2ccc([C@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)nc2)n[nH]1 ZINC000019692432 571304292 /nfs/dbraw/zinc/30/42/92/571304292.db2.gz UDGBHSJEAVLRBQ-JOCHJYFZSA-N 1 1 371.444 3.593 40 0 FHABMO CCN(C(=O)Cc1ccc(OC)c(OC)c1)[C@@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000019704193 571304489 /nfs/dbraw/zinc/30/44/89/571304489.db2.gz ULYFOBHGKXTIAR-SFHVURJKSA-N 1 1 374.525 3.502 40 0 FHABMO COc1ccccc1/C=C/C[N@H+]1CC[C@@]2(C)[C@@H]1CCCCCN2C(C)=O ZINC000019713324 571304662 /nfs/dbraw/zinc/30/46/62/571304662.db2.gz IZDNNASDIAKKEU-QOWAQPQZSA-N 1 1 356.510 3.964 40 0 FHABMO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(Cl)cc3)[nH]2)cc1OC ZINC000095534239 571331486 /nfs/dbraw/zinc/33/14/86/571331486.db2.gz SLTRGRFYPFSLLW-MRXNPFEDSA-N 1 1 358.829 3.581 40 0 FHABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]1c1ccnc(Nc2ccccn2)c1 ZINC000257343753 210005502 /nfs/dbraw/zinc/00/55/02/210005502.db2.gz ZUGRSVJKTVIBIP-LJQANCHMSA-N 1 1 362.481 3.908 40 0 FHABMO C[NH+]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000224927465 209794830 /nfs/dbraw/zinc/79/48/30/209794830.db2.gz XWLUYJGPSYKSHZ-UHFFFAOYSA-N 1 1 365.408 3.535 40 0 FHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccc(F)cc3)cc2)C1 ZINC000224335076 209781901 /nfs/dbraw/zinc/78/19/01/209781901.db2.gz GPTPEMCSZJGGAW-KRWDZBQOSA-N 1 1 370.468 3.866 40 0 FHABMO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@H+](Cc4ccsc4)[C@@H]3C2)n1 ZINC000096250702 209144349 /nfs/dbraw/zinc/14/43/49/209144349.db2.gz XODIJQKKRQVUFQ-DFQSSKMNSA-N 1 1 358.507 3.648 40 0 FHABMO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@@H+](Cc4ccsc4)[C@@H]3C2)n1 ZINC000096250702 209144353 /nfs/dbraw/zinc/14/43/53/209144353.db2.gz XODIJQKKRQVUFQ-DFQSSKMNSA-N 1 1 358.507 3.648 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(C)n2)C3)cc1 ZINC000096216131 209135621 /nfs/dbraw/zinc/13/56/21/209135621.db2.gz AVXBVSFSBGYLSI-QHCPKHFHSA-N 1 1 365.521 3.887 40 0 FHABMO COc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)n2)C3)cc1 ZINC000096216131 209135623 /nfs/dbraw/zinc/13/56/23/209135623.db2.gz AVXBVSFSBGYLSI-QHCPKHFHSA-N 1 1 365.521 3.887 40 0 FHABMO COc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(C)n2)C3)cc1 ZINC000096216131 209135626 /nfs/dbraw/zinc/13/56/26/209135626.db2.gz AVXBVSFSBGYLSI-QHCPKHFHSA-N 1 1 365.521 3.887 40 0 FHABMO COc1cccc(N[C@H]2COC3(C2)CC[NH+](Cc2csc(C)n2)CC3)c1 ZINC000096221405 209137742 /nfs/dbraw/zinc/13/77/42/209137742.db2.gz OVUUCVRPUTZRKC-QGZVFWFLSA-N 1 1 373.522 3.696 40 0 FHABMO O=C(c1cscn1)N1CC[C@@]2(CCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000096071072 209106103 /nfs/dbraw/zinc/10/61/03/209106103.db2.gz INRJOWJJGAUNQR-SFHVURJKSA-N 1 1 361.898 3.677 40 0 FHABMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)Cc3ccccn3)c(OC)nc2c1 ZINC000012148176 207343706 /nfs/dbraw/zinc/34/37/06/207343706.db2.gz KDPUDVQJKPYIQY-HNNXBMFYSA-N 1 1 351.450 3.710 40 0 FHABMO CCn1cc(C[N@H+](C)Cc2[nH]nc3c2CCCC3)c2cc(OC)ccc21 ZINC000012147139 207343749 /nfs/dbraw/zinc/34/37/49/207343749.db2.gz DJQQRISWFOTJFZ-UHFFFAOYSA-N 1 1 352.482 3.904 40 0 FHABMO CCn1cc(C[N@@H+](C)Cc2[nH]nc3c2CCCC3)c2cc(OC)ccc21 ZINC000012147139 207343752 /nfs/dbraw/zinc/34/37/52/207343752.db2.gz DJQQRISWFOTJFZ-UHFFFAOYSA-N 1 1 352.482 3.904 40 0 FHABMO COc1ccc(C[N@H+](Cc2[nH]c3ccccc3c2C)C[C@@H](C)O)cc1OC ZINC000012185540 207344735 /nfs/dbraw/zinc/34/47/35/207344735.db2.gz OWPZRJNRXHONRH-OAHLLOKOSA-N 1 1 368.477 3.877 40 0 FHABMO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000012119256 207339839 /nfs/dbraw/zinc/33/98/39/207339839.db2.gz QYAWVMGXGZWVDK-SFHVURJKSA-N 1 1 362.429 3.707 40 0 FHABMO CC(C)[N@H+]1CCC[C@H](CNC(=O)CSc2nccc3ccccc32)C1 ZINC000012148562 207343329 /nfs/dbraw/zinc/34/33/29/207343329.db2.gz NOHCKYNWPQTKGP-MRXNPFEDSA-N 1 1 357.523 3.564 40 0 FHABMO COc1ccc(C[N@H+]2Cc3ccccc3O[C@@H](CN(C)C)C2)c(C)c1C ZINC000012407694 207372561 /nfs/dbraw/zinc/37/25/61/207372561.db2.gz HDLGSJIMOLOHNW-FQEVSTJZSA-N 1 1 354.494 3.637 40 0 FHABMO COc1ccc(C[N@@H+]2Cc3ccccc3O[C@@H](CN(C)C)C2)c(C)c1C ZINC000012407694 207372566 /nfs/dbraw/zinc/37/25/66/207372566.db2.gz HDLGSJIMOLOHNW-FQEVSTJZSA-N 1 1 354.494 3.637 40 0 FHABMO CC(=O)N1Cc2ccccc2O[C@]2(CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000012365382 207365977 /nfs/dbraw/zinc/36/59/77/207365977.db2.gz HQJVSZRXLCSHRS-QHCPKHFHSA-N 1 1 364.489 3.505 40 0 FHABMO CCc1ccccc1O[C@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000030849395 208006983 /nfs/dbraw/zinc/00/69/83/208006983.db2.gz SRBAWUSWSMKJCB-MRXNPFEDSA-N 1 1 363.461 3.827 40 0 FHABMO COc1ccc(-c2cc(CC3([NH2+]Cc4ccc(F)cc4)COC3)no2)cc1 ZINC000072321953 208186166 /nfs/dbraw/zinc/18/61/66/208186166.db2.gz HOUXBWRZZLLUBX-UHFFFAOYSA-N 1 1 368.408 3.591 40 0 biogenic,in-vitro FHABMO COc1ccc(CCCNC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000044907136 208322250 /nfs/dbraw/zinc/32/22/50/208322250.db2.gz VCKZOCQYVQJXHS-UHFFFAOYSA-N 1 1 363.461 3.611 40 0 FHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000044908393 208323447 /nfs/dbraw/zinc/32/34/47/208323447.db2.gz LDUZISMNLSIYOP-OAQYLSRUSA-N 1 1 368.525 3.624 40 0 FHABMO COc1ccc(C[N@@H+]2CCCn3cnc(COCc4ccco4)c3C2)cc1 ZINC000096059039 209105476 /nfs/dbraw/zinc/10/54/76/209105476.db2.gz JLRXFPXNIWILHW-UHFFFAOYSA-N 1 1 367.449 3.607 40 0 FHABMO COc1ccc(C[N@H+]2CCCn3cnc(COCc4ccco4)c3C2)cc1 ZINC000096059039 209105479 /nfs/dbraw/zinc/10/54/79/209105479.db2.gz JLRXFPXNIWILHW-UHFFFAOYSA-N 1 1 367.449 3.607 40 0 FHABMO Fc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC000096051153 209102373 /nfs/dbraw/zinc/10/23/73/209102373.db2.gz BYYHAUHQAKUCIF-IBGZPJMESA-N 1 1 361.411 3.958 40 0 FHABMO O=C(Nc1ccccc1)[C@@H]1C[N@H+](Cc2ccc(F)cc2)CC12CCOCC2 ZINC000096052257 209102003 /nfs/dbraw/zinc/10/20/03/209102003.db2.gz FSKHDJIYPWPPMY-FQEVSTJZSA-N 1 1 368.452 3.693 40 0 FHABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)c1 ZINC000096040085 209098417 /nfs/dbraw/zinc/09/84/17/209098417.db2.gz QBORJASJTLBCMH-WOJBJXKFSA-N 1 1 358.507 3.731 40 0 FHABMO COc1ccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccco4)CO3)CC2)cc1 ZINC000096048012 209099740 /nfs/dbraw/zinc/09/97/40/209099740.db2.gz ITSNMXNCBYMEGF-LJQANCHMSA-N 1 1 370.493 3.544 40 0 FHABMO Cc1cccnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC000096221031 132222609 /nfs/dbraw/zinc/22/26/09/132222609.db2.gz ALJWKZORBYEDIY-FQEVSTJZSA-N 1 1 351.494 3.650 40 0 FHABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NC(C)C)nc(C(C)C)[nH+]1)C2 ZINC000329002359 132372327 /nfs/dbraw/zinc/37/23/27/132372327.db2.gz KHTDQOFBBATLLR-UHFFFAOYSA-N 1 1 368.481 3.770 40 0 FHABMO Cc1nc(NC2CC2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000329064302 132372961 /nfs/dbraw/zinc/37/29/61/132372961.db2.gz XISWJIMNUGSYLC-UHFFFAOYSA-N 1 1 364.371 3.821 40 0 FHABMO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(Cl)cc3)[nH]2)cc1OCC ZINC000095534527 209079620 /nfs/dbraw/zinc/07/96/20/209079620.db2.gz HMMBYFHUOKQYRK-QGZVFWFLSA-N 1 1 372.856 3.971 40 0 FHABMO CC(C)Oc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000085471086 519778716 /nfs/dbraw/zinc/77/87/16/519778716.db2.gz CJOAWQVNOIFJQE-OYRHEFFESA-N 1 1 364.489 3.963 40 0 FHABMO CC(C)Oc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC000085471086 519778717 /nfs/dbraw/zinc/77/87/17/519778717.db2.gz CJOAWQVNOIFJQE-OYRHEFFESA-N 1 1 364.489 3.963 40 0 FHABMO COc1ccc(SCC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000020452795 525100638 /nfs/dbraw/zinc/10/06/38/525100638.db2.gz FQGIRCKSCALURY-UHFFFAOYSA-N 1 1 367.474 3.598 40 0 FHABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@@H+](Cc3ccc(O)cc3)C2)c1 ZINC000585272992 570486002 /nfs/dbraw/zinc/48/60/02/570486002.db2.gz MDQMKQWUVJGABX-HXUWFJFHSA-N 1 1 361.869 3.760 40 0 FHABMO CCCC(CCC)[N@H+]1CCOC[C@@](O)(COc2ccc(Cl)cc2)C1 ZINC000585284620 570493967 /nfs/dbraw/zinc/49/39/67/570493967.db2.gz YWIUUMGPYMDASY-LJQANCHMSA-N 1 1 355.906 3.751 40 0 FHABMO COc1ccc(CN(C(=O)c2ccco2)[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000006576889 570681671 /nfs/dbraw/zinc/68/16/71/570681671.db2.gz SUTXCIMFRCHMFF-FCEWJHQRSA-N 1 1 356.466 3.659 40 0 FHABMO Fc1ccc(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)c(F)c1 ZINC000019293060 570885099 /nfs/dbraw/zinc/88/50/99/570885099.db2.gz KCCXRBMHXLJBIB-UHFFFAOYSA-N 1 1 356.376 3.789 40 0 FHABMO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)no1 ZINC000019339085 570886161 /nfs/dbraw/zinc/88/61/61/570886161.db2.gz ZOXCYARNKYOZTC-KRWDZBQOSA-N 1 1 368.481 3.512 40 0 FHABMO O=c1cc([C@H]2CCCC[N@H+]2Cc2ccccc2F)nc(-c2ccccn2)[nH]1 ZINC000019349090 570886734 /nfs/dbraw/zinc/88/67/34/570886734.db2.gz MVVQWKSLIORSQV-LJQANCHMSA-N 1 1 364.424 3.698 40 0 FHABMO O=c1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2F)nc(-c2ccccn2)[nH]1 ZINC000019349090 570886736 /nfs/dbraw/zinc/88/67/36/570886736.db2.gz MVVQWKSLIORSQV-LJQANCHMSA-N 1 1 364.424 3.698 40 0 FHABMO Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc(C)c1O ZINC000019569949 570894042 /nfs/dbraw/zinc/89/40/42/570894042.db2.gz CHJIWMQDTYXCOI-QIDMFYOTSA-N 1 1 352.478 3.524 40 0 FHABMO C[NH+](C)C1CCC2(CC1)CN(Cc1cccnc1)Cc1ccccc1O2 ZINC000019584040 570895303 /nfs/dbraw/zinc/89/53/03/570895303.db2.gz MTHXBIZUPJLOKW-UHFFFAOYSA-N 1 1 351.494 3.719 40 0 FHABMO C[N@H+]1CCc2nc([C@H]3CCCCN3Cc3ccccc3Cl)ncc2C1 ZINC000019590349 570895656 /nfs/dbraw/zinc/89/56/56/570895656.db2.gz QYYRBQWKPSLHOL-LJQANCHMSA-N 1 1 356.901 3.845 40 0 FHABMO CC[C@H](C[NH+]1CCOCC1)n1cncc1-c1[nH]c2ccccc2c1Cl ZINC000019719315 570900909 /nfs/dbraw/zinc/90/09/09/570900909.db2.gz UFPICQXCNPHJLA-CQSZACIVSA-N 1 1 358.873 3.968 40 0 FHABMO CCN(CCOc1ccccc1)CC[N@@H+](CC)CCOc1ccccc1 ZINC000022581216 570946695 /nfs/dbraw/zinc/94/66/95/570946695.db2.gz BBGLIPLEMLVXGZ-UHFFFAOYSA-N 1 1 356.510 3.788 40 0 FHABMO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000224265964 570982594 /nfs/dbraw/zinc/98/25/94/570982594.db2.gz AUMVLAWHWLKFGS-MSOLQXFVSA-N 1 1 358.526 3.571 40 0 FHABMO Fc1ccc(C[N@H+]2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306134544 571039088 /nfs/dbraw/zinc/03/90/88/571039088.db2.gz NRAQIDKPUFETEM-IBGZPJMESA-N 1 1 373.435 3.920 40 0 FHABMO c1ccc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)nc1 ZINC000306135558 571039419 /nfs/dbraw/zinc/03/94/19/571039419.db2.gz OURLJPGCAREQQP-LJQANCHMSA-N 1 1 370.460 3.566 40 0 FHABMO CO[C@](C)(C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225644578 571052178 /nfs/dbraw/zinc/05/21/78/571052178.db2.gz FJSULGHVPIXIBA-VGSWGCGISA-N 1 1 374.525 3.941 40 0 FHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCCOC2CCCCC2)cc1 ZINC000044851169 571103234 /nfs/dbraw/zinc/10/32/34/571103234.db2.gz COFDREIPFCNIEG-UHFFFAOYSA-N 1 1 355.482 3.709 40 0 FHABMO CCO[C@](C)(CC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260812418 571123236 /nfs/dbraw/zinc/12/32/36/571123236.db2.gz BFBBFILPLDMGKM-LAUBAEHRSA-N 1 1 362.514 3.941 40 0 FHABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)s1 ZINC000248113451 571127877 /nfs/dbraw/zinc/12/78/77/571127877.db2.gz RPOKHDYDPWYAEF-YSIASYRMSA-N 1 1 358.507 3.648 40 0 FHABMO c1c[nH]c(-c2cncc(C[C@@H]3CCC[N@@H+](Cc4cccc5[nH]ccc54)C3)n2)n1 ZINC000257213620 571150925 /nfs/dbraw/zinc/15/09/25/571150925.db2.gz CIJJMZQLZCTXFQ-INIZCTEOSA-N 1 1 372.476 3.803 40 0 FHABMO Fc1ccc(Cc2cnc([C@@H]3CCC[N@@H+](Cc4cnccn4)C3)o2)cc1 ZINC000257213784 571150986 /nfs/dbraw/zinc/15/09/86/571150986.db2.gz CJBGBNZVPWPIAE-MRXNPFEDSA-N 1 1 352.413 3.574 40 0 FHABMO Cc1ncc(-c2cccc([C@@H]3CCC[N@H+](Cc4cscn4)C3)n2)n1C ZINC000257267800 571156134 /nfs/dbraw/zinc/15/61/34/571156134.db2.gz MITXRMNTFXRXJE-OAHLLOKOSA-N 1 1 353.495 3.627 40 0 FHABMO Cc1ncc(-c2cccc([C@@H]3CCC[N@@H+](Cc4cscn4)C3)n2)n1C ZINC000257267800 571156136 /nfs/dbraw/zinc/15/61/36/571156136.db2.gz MITXRMNTFXRXJE-OAHLLOKOSA-N 1 1 353.495 3.627 40 0 FHABMO Cc1csc(Nc2cccc(C3CC[NH+](Cc4ncc[nH]4)CC3)n2)n1 ZINC000257319086 571161423 /nfs/dbraw/zinc/16/14/23/571161423.db2.gz VQQVMRTVSTXIKZ-UHFFFAOYSA-N 1 1 354.483 3.693 40 0 FHABMO c1c[nH]c(-c2cncc(C[C@@H]3CCC[N@@H+](Cc4ccc5cc[nH]c5c4)C3)n2)n1 ZINC000257322767 571162014 /nfs/dbraw/zinc/16/20/14/571162014.db2.gz WHIJFJAYSRFRRR-INIZCTEOSA-N 1 1 372.476 3.803 40 0 FHABMO C[N@H+]1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3F)c2)C1 ZINC000257332201 571162679 /nfs/dbraw/zinc/16/26/79/571162679.db2.gz XWFNGWSJYHYJLB-MRXNPFEDSA-N 1 1 351.429 3.642 40 0 FHABMO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC000072345882 571179629 /nfs/dbraw/zinc/17/96/29/571179629.db2.gz UTLFRDUQTJDYNQ-MRXNPFEDSA-N 1 1 352.482 3.856 40 0 FHABMO O=C(C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2F)n1)N1CCCC1 ZINC000072357647 571182706 /nfs/dbraw/zinc/18/27/06/571182706.db2.gz CAAJSLGQNOZMDP-NRFANRHFSA-N 1 1 367.468 3.571 40 0 FHABMO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2F)n1)N1CCCC1 ZINC000072357647 571182708 /nfs/dbraw/zinc/18/27/08/571182708.db2.gz CAAJSLGQNOZMDP-NRFANRHFSA-N 1 1 367.468 3.571 40 0 FHABMO CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccc(C)cc2)n1 ZINC000072357640 571182810 /nfs/dbraw/zinc/18/28/10/571182810.db2.gz WIBISUSJCZBGSU-QFIPXVFZSA-N 1 1 365.521 3.986 40 0 FHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H]1c1cccc(Cc2ccc(C)cc2)n1 ZINC000072357640 571182811 /nfs/dbraw/zinc/18/28/11/571182811.db2.gz WIBISUSJCZBGSU-QFIPXVFZSA-N 1 1 365.521 3.986 40 0 FHABMO COc1cccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3cnn(C)c3)n2)c1 ZINC000072358129 571183127 /nfs/dbraw/zinc/18/31/27/571183127.db2.gz XEYQAETWEXXLJU-QFIPXVFZSA-N 1 1 362.477 3.752 40 0 FHABMO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000072358341 571183569 /nfs/dbraw/zinc/18/35/69/571183569.db2.gz ONHWJZLTQAWGQN-SFHVURJKSA-N 1 1 364.493 3.755 40 0 FHABMO COc1cccc(-c2cncc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072359429 571184183 /nfs/dbraw/zinc/18/41/83/571184183.db2.gz XGVLPUKZZCZATC-GOSISDBHSA-N 1 1 360.461 3.927 40 0 FHABMO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@H+](C4CCOCC4)C3)n2)n1 ZINC000072376061 571185683 /nfs/dbraw/zinc/18/56/83/571185683.db2.gz SXXSKYRAIYIOIL-QGZVFWFLSA-N 1 1 367.497 3.590 40 0 FHABMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375346 571185687 /nfs/dbraw/zinc/18/56/87/571185687.db2.gz BQVYDXPYELVUPF-LJQANCHMSA-N 1 1 362.481 3.908 40 0 FHABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377430 571186035 /nfs/dbraw/zinc/18/60/35/571186035.db2.gz IMFZNFMWLZHUAH-LJQANCHMSA-N 1 1 361.449 3.961 40 0 FHABMO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377420 571186221 /nfs/dbraw/zinc/18/62/21/571186221.db2.gz RWIAZUQIMCBBTP-GOSISDBHSA-N 1 1 364.428 3.877 40 0 FHABMO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377420 571186225 /nfs/dbraw/zinc/18/62/25/571186225.db2.gz RWIAZUQIMCBBTP-GOSISDBHSA-N 1 1 364.428 3.877 40 0 FHABMO CC[C@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000033831595 571192091 /nfs/dbraw/zinc/19/20/91/571192091.db2.gz NMLUOJBSAYAYEM-NFYKLEGGSA-N 1 1 368.477 3.817 40 0 FHABMO CC[C@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000033831595 571192093 /nfs/dbraw/zinc/19/20/93/571192093.db2.gz NMLUOJBSAYAYEM-NFYKLEGGSA-N 1 1 368.477 3.817 40 0 FHABMO c1csc(C[N@H+]2CC[C@@]3(CN(Cc4ccccn4)c4cccnc43)C2)c1 ZINC000306123596 571212835 /nfs/dbraw/zinc/21/28/35/571212835.db2.gz ARBWPQFFBRNIPR-NRFANRHFSA-N 1 1 362.502 3.702 40 0 FHABMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccncc3)CC2)N1Cc1ccc(F)cc1 ZINC000585099945 571221834 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ZINC000257340469 210003526 /nfs/dbraw/zinc/00/35/26/210003526.db2.gz ZGHAKWYBOFNGPT-KZCJGOGDSA-N 1 1 369.440 3.568 40 0 FHABMO CCCCCC(=O)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2CC1CCOCC1 ZINC000257339005 210002924 /nfs/dbraw/zinc/00/29/24/210002924.db2.gz YZVHEMWJOYFYDQ-WOJBJXKFSA-N 1 1 350.547 3.839 40 0 FHABMO Cc1nc(C[NH+]2CCC(c3ccnc(Nc4cnccn4)c3)CC2)cs1 ZINC000257339757 210002677 /nfs/dbraw/zinc/00/26/77/210002677.db2.gz ZDBGAYPTWIKWJG-UHFFFAOYSA-N 1 1 366.494 3.760 40 0 FHABMO C[N@H+]1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3F)c2)C1 ZINC000257332200 210001187 /nfs/dbraw/zinc/00/11/87/210001187.db2.gz XWFNGWSJYHYJLB-INIZCTEOSA-N 1 1 351.429 3.642 40 0 FHABMO Cc1n[nH]cc1C[N@H+]1CCCC[C@@H]1c1cc(Nc2ccccn2)nc(C)n1 ZINC000257326734 210000700 /nfs/dbraw/zinc/00/07/00/210000700.db2.gz WYJWMXUIWWUUTO-GOSISDBHSA-N 1 1 363.469 3.682 40 0 FHABMO Cc1n[nH]cc1C[N@@H+]1CCCC[C@@H]1c1cc(Nc2ccccn2)nc(C)n1 ZINC000257326734 210000699 /nfs/dbraw/zinc/00/06/99/210000699.db2.gz WYJWMXUIWWUUTO-GOSISDBHSA-N 1 1 363.469 3.682 40 0 FHABMO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1c1cc(Nc2ncccc2C)nc(C)n1 ZINC000257315904 209996333 /nfs/dbraw/zinc/99/63/33/209996333.db2.gz VDFFSPPVMRDMGY-GOSISDBHSA-N 1 1 363.469 3.601 40 0 FHABMO Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1c1cc(Nc2ncccc2C)nc(C)n1 ZINC000257315904 209996337 /nfs/dbraw/zinc/99/63/37/209996337.db2.gz VDFFSPPVMRDMGY-GOSISDBHSA-N 1 1 363.469 3.601 40 0 FHABMO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)o1 ZINC000049170009 209333564 /nfs/dbraw/zinc/33/35/64/209333564.db2.gz NBCVYZLHCYVCSX-HNNXBMFYSA-N 1 1 353.397 3.874 40 0 biogenic,in-vitro FHABMO Cc1cccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)n1 ZINC000096239566 209141863 /nfs/dbraw/zinc/14/18/63/209141863.db2.gz UHLYBTAAYWKNNY-LJQANCHMSA-N 1 1 358.436 3.523 40 0 FHABMO Cc1nc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2c(C)noc2C)C3)cs1 ZINC000096215987 209136765 /nfs/dbraw/zinc/13/67/65/209136765.db2.gz LYXZCBLGJWQMFO-IBGZPJMESA-N 1 1 360.527 3.544 40 0 FHABMO Cc1noc(C)c1CN1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216278 209136051 /nfs/dbraw/zinc/13/60/51/209136051.db2.gz DYSNMLCHGORSGO-JOCHJYFZSA-N 1 1 369.509 3.658 40 0 FHABMO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216278 209136056 /nfs/dbraw/zinc/13/60/56/209136056.db2.gz DYSNMLCHGORSGO-JOCHJYFZSA-N 1 1 369.509 3.658 40 0 FHABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216278 209136059 /nfs/dbraw/zinc/13/60/59/209136059.db2.gz DYSNMLCHGORSGO-JOCHJYFZSA-N 1 1 369.509 3.658 40 0 FHABMO CCOC[C@H]1C[N@H+](Cc2ccncc2)Cc2cnn(CC3CCCC3)c21 ZINC000096198448 209132921 /nfs/dbraw/zinc/13/29/21/209132921.db2.gz QKIHVJZSDSSZMX-HXUWFJFHSA-N 1 1 354.498 3.604 40 0 FHABMO CCOC[C@H]1C[N@@H+](Cc2ccncc2)Cc2cnn(CC3CCCC3)c21 ZINC000096198448 209132922 /nfs/dbraw/zinc/13/29/22/209132922.db2.gz QKIHVJZSDSSZMX-HXUWFJFHSA-N 1 1 354.498 3.604 40 0 FHABMO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096100328 209111604 /nfs/dbraw/zinc/11/16/04/209111604.db2.gz CRFHLKMZOFBSOI-QFIPXVFZSA-N 1 1 350.437 3.726 40 0 FHABMO Cc1ccccc1C[N@H+]1CCC[C@@]12CCCN(C(=O)c1cscn1)C2 ZINC000096071332 209107258 /nfs/dbraw/zinc/10/72/58/209107258.db2.gz JXIDFLMTHTZPRZ-HXUWFJFHSA-N 1 1 355.507 3.722 40 0 FHABMO Fc1ccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)c(F)c1 ZINC000012668475 207406641 /nfs/dbraw/zinc/40/66/41/207406641.db2.gz RPQCQRTYTPTTBA-UHFFFAOYSA-N 1 1 356.376 3.789 40 0 FHABMO O=C(Nc1ccc2c(c1)[C@@H]([NH+]1CCOCC1)c1ccccc1-2)C(F)(F)F ZINC000031614519 208014751 /nfs/dbraw/zinc/01/47/51/208014751.db2.gz BOOBFSOLVRZOTE-KRWDZBQOSA-N 1 1 362.351 3.589 40 0 FHABMO COc1ccc(OC)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000038834750 208206073 /nfs/dbraw/zinc/20/60/73/208206073.db2.gz XEQPSOGRTHTYIT-KRWDZBQOSA-N 1 1 354.450 3.555 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000038756208 208205878 /nfs/dbraw/zinc/20/58/78/208205878.db2.gz YEQXQOHEQDVUKZ-UHFFFAOYSA-N 1 1 363.461 3.999 40 0 FHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CSCc1ccc(F)cc1 ZINC000044899987 208320854 /nfs/dbraw/zinc/32/08/54/208320854.db2.gz JLVGFYLSRBOWKS-SFHVURJKSA-N 1 1 352.519 3.830 40 0 FHABMO CCOc1cccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044919763 208321264 /nfs/dbraw/zinc/32/12/64/208321264.db2.gz IYXYOKWPJXPRAG-IBGZPJMESA-N 1 1 370.468 3.753 40 0 FHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000044908396 208323103 /nfs/dbraw/zinc/32/31/03/208323103.db2.gz LDUZISMNLSIYOP-NRFANRHFSA-N 1 1 368.525 3.624 40 0 FHABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)s1 ZINC000096049552 209102350 /nfs/dbraw/zinc/10/23/50/209102350.db2.gz TVCMRNMMMSHAMW-FQEVSTJZSA-N 1 1 357.523 3.571 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)cc1 ZINC000096050574 209102130 /nfs/dbraw/zinc/10/21/30/209102130.db2.gz DDGSVEIXXDODSO-HSZRJFAPSA-N 1 1 364.489 3.628 40 0 FHABMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccco3)CC2)N1Cc1cccc(F)c1 ZINC000096047545 209099413 /nfs/dbraw/zinc/09/94/13/209099413.db2.gz WGWQBNVVMOTPSX-NRFANRHFSA-N 1 1 356.441 3.966 40 0 FHABMO Cc1cc(N2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)nc(C)[nH+]1 ZINC000257307652 132296823 /nfs/dbraw/zinc/29/68/23/132296823.db2.gz SZRLRGZURPNKDA-FQEVSTJZSA-N 1 1 364.424 3.872 40 0 FHABMO CC(C)c1cc(N2Cc3ccccc3C[C@H]2C)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328970735 132372207 /nfs/dbraw/zinc/37/22/07/132372207.db2.gz DLVCRZRDGDHSNK-OXQOHEQNSA-N 1 1 368.525 3.980 40 0 FHABMO CNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C2CC2)n1 ZINC000329022994 132372568 /nfs/dbraw/zinc/37/25/68/132372568.db2.gz OPWDZALQVUYRSA-UHFFFAOYSA-N 1 1 364.371 3.857 40 0 FHABMO CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000020107338 522894587 /nfs/dbraw/zinc/89/45/87/522894587.db2.gz NWMINDYZWIIMCP-FQEVSTJZSA-N 1 1 363.461 3.963 40 0 FHABMO COc1ccc(CCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020488454 523969078 /nfs/dbraw/zinc/96/90/78/523969078.db2.gz YQUQBLWCFQLVEO-GOSISDBHSA-N 1 1 366.505 3.900 40 0 FHABMO CC(C)(C)CC[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000514289976 560031184 /nfs/dbraw/zinc/03/11/84/560031184.db2.gz RYCFCZUAKWLYAM-CNNODRBYSA-N 1 1 358.526 3.515 40 0 biogenic,in-vitro FHABMO COc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3F)nc2c1 ZINC000096112268 560060770 /nfs/dbraw/zinc/06/07/70/560060770.db2.gz XNKAYVAJIXNHAL-XLIONFOSSA-N 1 1 369.440 3.619 40 0 biogenic,in-vitro FHABMO COc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3F)nc2c1 ZINC000096112268 560060772 /nfs/dbraw/zinc/06/07/72/560060772.db2.gz XNKAYVAJIXNHAL-XLIONFOSSA-N 1 1 369.440 3.619 40 0 biogenic,in-vitro FHABMO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000015674091 560230920 /nfs/dbraw/zinc/23/09/20/560230920.db2.gz HBPGUVITYAAWBI-APWZRJJASA-N 1 1 360.417 3.526 40 0 biogenic,in-vitro FHABMO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000015674091 560230921 /nfs/dbraw/zinc/23/09/21/560230921.db2.gz HBPGUVITYAAWBI-APWZRJJASA-N 1 1 360.417 3.526 40 0 biogenic,in-vitro FHABMO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(C)c(F)c3)no2)cc1 ZINC000015674334 560231123 /nfs/dbraw/zinc/23/11/23/560231123.db2.gz BMIBWFRRQPEUEB-MJGOQNOKSA-N 1 1 367.424 3.800 40 0 biogenic,in-vitro FHABMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(C)c(F)c3)no2)cc1 ZINC000015674334 560231125 /nfs/dbraw/zinc/23/11/25/560231125.db2.gz BMIBWFRRQPEUEB-MJGOQNOKSA-N 1 1 367.424 3.800 40 0 biogenic,in-vitro FHABMO C[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000216324801 568118127 /nfs/dbraw/zinc/11/81/27/568118127.db2.gz IQZFMELLLJIXEM-XHSDSOJGSA-N 1 1 352.906 3.592 40 0 FHABMO CC[NH+](CC)CCNCc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000022075288 568203697 /nfs/dbraw/zinc/20/36/97/568203697.db2.gz WDKHZQJBDNYBKM-UHFFFAOYSA-N 1 1 360.473 3.845 40 0 FHABMO CCc1ccc(O[C@H](CC)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000222877923 568575003 /nfs/dbraw/zinc/57/50/03/568575003.db2.gz MVHGKCVBWZVWAZ-JOCHJYFZSA-N 1 1 366.505 3.751 40 0 FHABMO CCc1ccc(O[C@@H](CC)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000222877869 568575012 /nfs/dbraw/zinc/57/50/12/568575012.db2.gz MVHGKCVBWZVWAZ-QFIPXVFZSA-N 1 1 366.505 3.751 40 0 FHABMO O=C(COc1ccccc1)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000222952047 568581664 /nfs/dbraw/zinc/58/16/64/568581664.db2.gz FFQAIHFMMCOBHX-UHFFFAOYSA-N 1 1 369.852 3.885 40 0 FHABMO O[C@H](C[NH+]1CCN(c2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 ZINC000026441532 568657804 /nfs/dbraw/zinc/65/78/04/568657804.db2.gz KCMCTUQIAHNAGF-QGZVFWFLSA-N 1 1 373.909 3.805 40 0 FHABMO Cc1cnc(Nc2cccc([C@@H]3CCC[N@H+](Cc4cnn(C)c4)C3)n2)s1 ZINC000585262560 570481601 /nfs/dbraw/zinc/48/16/01/570481601.db2.gz FFSCTAMYSNGRSE-MRXNPFEDSA-N 1 1 368.510 3.703 40 0 FHABMO C[C@]12CC[N@@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)[C@H]1CCCCC(=O)N2 ZINC000585282158 570492606 /nfs/dbraw/zinc/49/26/06/570492606.db2.gz BBDDZCYNIMUUHZ-BAMDZGJYSA-N 1 1 370.537 3.599 40 0 FHABMO CC1(C)CCC([N@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CC1 ZINC000585281231 570492617 /nfs/dbraw/zinc/49/26/17/570492617.db2.gz HPUIUSTUBBPBDF-FQEVSTJZSA-N 1 1 367.917 3.751 40 0 FHABMO CC1(C)CCC([N@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CC1 ZINC000585281232 570492624 /nfs/dbraw/zinc/49/26/24/570492624.db2.gz HPUIUSTUBBPBDF-HXUWFJFHSA-N 1 1 367.917 3.751 40 0 FHABMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2c[nH+]c(N(C)C)cc2C)cc1 ZINC000072218719 570534312 /nfs/dbraw/zinc/53/43/12/570534312.db2.gz WLKFFBGKLRBCCJ-IBGZPJMESA-N 1 1 373.522 3.680 40 0 FHABMO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000072358355 570546045 /nfs/dbraw/zinc/54/60/45/570546045.db2.gz AOIOYKJCYGNADW-HXUWFJFHSA-N 1 1 372.472 3.622 40 0 FHABMO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000072358354 570546240 /nfs/dbraw/zinc/54/62/40/570546240.db2.gz AOIOYKJCYGNADW-FQEVSTJZSA-N 1 1 372.472 3.622 40 0 FHABMO COc1cccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(C)=O)c1 ZINC000019019517 570879422 /nfs/dbraw/zinc/87/94/22/570879422.db2.gz SZUOUVJUHNQAHJ-ACRUOGEOSA-N 1 1 370.518 3.593 40 0 FHABMO Cc1ccc(CN2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1C ZINC000019213986 570881935 /nfs/dbraw/zinc/88/19/35/570881935.db2.gz XSSUOCDDCMSFKV-NRFANRHFSA-N 1 1 350.510 3.809 40 0 FHABMO Cc1ccsc1C[N@@H+](CCCN1CCOCC1)Cc1ccc(F)cc1 ZINC000019238573 570883679 /nfs/dbraw/zinc/88/36/79/570883679.db2.gz QUEGWZFCULVJQP-UHFFFAOYSA-N 1 1 362.514 3.920 40 0 FHABMO Fc1cccc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)c1F ZINC000019292718 570884538 /nfs/dbraw/zinc/88/45/38/570884538.db2.gz IMYYTMTXOSSCQV-UHFFFAOYSA-N 1 1 356.376 3.789 40 0 FHABMO OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC000019346434 570886909 /nfs/dbraw/zinc/88/69/09/570886909.db2.gz ZEALJAJREGDOGB-QIDMFYOTSA-N 1 1 365.452 3.734 40 0 FHABMO CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCC[C@H](COc2ccccc2C)C1 ZINC000019523536 570891148 /nfs/dbraw/zinc/89/11/48/570891148.db2.gz GLKFQIIBXVMSSM-OALUTQOASA-N 1 1 369.509 3.708 40 0 FHABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC[C@@H](COc2ccccc2C)C1 ZINC000019523533 570891264 /nfs/dbraw/zinc/89/12/64/570891264.db2.gz GLKFQIIBXVMSSM-RTBURBONSA-N 1 1 369.509 3.708 40 0 FHABMO C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1ccc(Cl)c(F)c1)C2 ZINC000019589006 570895126 /nfs/dbraw/zinc/89/51/26/570895126.db2.gz DMNHPKJFVMXOBG-IBGZPJMESA-N 1 1 374.891 3.984 40 0 FHABMO C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1ccc(Cl)c(F)c1)C2 ZINC000019589006 570895131 /nfs/dbraw/zinc/89/51/31/570895131.db2.gz DMNHPKJFVMXOBG-IBGZPJMESA-N 1 1 374.891 3.984 40 0 FHABMO COc1ccc2[nH]c(C[N@@H+](Cc3ccccn3)C[C@@H]3CCCO3)cc2c1 ZINC000019663016 570897959 /nfs/dbraw/zinc/89/79/59/570897959.db2.gz YRHYJHIVYFAJGF-FQEVSTJZSA-N 1 1 351.450 3.753 40 0 FHABMO COc1ccc2[nH]c(C[N@H+](Cc3ccccn3)C[C@@H]3CCCO3)cc2c1 ZINC000019663016 570897962 /nfs/dbraw/zinc/89/79/62/570897962.db2.gz YRHYJHIVYFAJGF-FQEVSTJZSA-N 1 1 351.450 3.753 40 0 FHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000019687294 570898457 /nfs/dbraw/zinc/89/84/57/570898457.db2.gz XIXLQAHMGHFNLG-OAQYLSRUSA-N 1 1 365.521 3.720 40 0 FHABMO NC(=O)c1[nH]c([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)nc1-c1ccccc1 ZINC000019698970 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Fc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cc1 ZINC000306142154 571041889 /nfs/dbraw/zinc/04/18/89/571041889.db2.gz WRNNJBVLUGFNET-HXUWFJFHSA-N 1 1 369.465 3.926 40 0 FHABMO c1coc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306141097 571042074 /nfs/dbraw/zinc/04/20/74/571042074.db2.gz VLFKGJMKHYVNHZ-SFHVURJKSA-N 1 1 359.433 3.764 40 0 FHABMO O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225576973 571046750 /nfs/dbraw/zinc/04/67/50/571046750.db2.gz IZFVSTLWSVWYOC-ZBQZNYHESA-N 1 1 364.892 3.996 40 0 FHABMO CO[C@@](C)(C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225643873 571052322 /nfs/dbraw/zinc/05/23/22/571052322.db2.gz HPNWLUCIFZUJJA-HRAATJIYSA-N 1 1 360.498 3.693 40 0 FHABMO CCO[C@@](C)(C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225723462 571059543 /nfs/dbraw/zinc/05/95/43/571059543.db2.gz MFRTUJJWHVWCIW-VGOFRKELSA-N 1 1 374.525 3.941 40 0 FHABMO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000260790417 571122991 /nfs/dbraw/zinc/12/29/91/571122991.db2.gz AUMVLAWHWLKFGS-ZWKOTPCHSA-N 1 1 358.526 3.571 40 0 FHABMO CO[C@@](C)(C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260812326 571123307 /nfs/dbraw/zinc/12/33/07/571123307.db2.gz AMILESRALIBYPF-HRAATJIYSA-N 1 1 360.498 3.551 40 0 FHABMO CCOC(C)(C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260818199 571124081 /nfs/dbraw/zinc/12/40/81/571124081.db2.gz XLABUFNTSCBZLZ-KRWDZBQOSA-N 1 1 362.514 3.941 40 0 FHABMO NC(=O)O[C@@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)[C@@H]2CCCC[C@H]12 ZINC000001846336 571145945 /nfs/dbraw/zinc/14/59/45/571145945.db2.gz RVPQELWEPXXXPC-YQVWRLOYSA-N 1 1 362.445 3.517 40 0 FHABMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(-c3cnc(C)cn3)o2)cc1 ZINC000257203562 571149410 /nfs/dbraw/zinc/14/94/10/571149410.db2.gz AQQYRRJELFQWRW-SFHVURJKSA-N 1 1 365.437 3.571 40 0 FHABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(-c3cnc(C)cn3)o2)cc1 ZINC000257203562 571149412 /nfs/dbraw/zinc/14/94/12/571149412.db2.gz AQQYRRJELFQWRW-SFHVURJKSA-N 1 1 365.437 3.571 40 0 FHABMO C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000257211882 571150611 /nfs/dbraw/zinc/15/06/11/571150611.db2.gz CAXQOXCLJSBVNW-DZJZLKLXSA-N 1 1 355.457 3.784 40 0 FHABMO Fc1ccc(F)c(C[N@H+]2CCC[C@H](Cc3cncc(-c4ncc[nH]4)n3)C2)c1 ZINC000257212935 571150968 /nfs/dbraw/zinc/15/09/68/571150968.db2.gz CFMOVGUOYCPGNB-CQSZACIVSA-N 1 1 369.419 3.600 40 0 FHABMO Cc1cc(C)nc(Nc2ccc([C@H]3C[N@H+](C4CCCCC4)CCO3)nc2)n1 ZINC000257230020 571152516 /nfs/dbraw/zinc/15/25/16/571152516.db2.gz GAKHFGXCYGBGII-HXUWFJFHSA-N 1 1 367.497 3.938 40 0 FHABMO Cc1ncc(-c2cccc([C@H]3CCC[N@H+](Cc4cscn4)C3)n2)n1C ZINC000257267799 571156125 /nfs/dbraw/zinc/15/61/25/571156125.db2.gz MITXRMNTFXRXJE-HNNXBMFYSA-N 1 1 353.495 3.627 40 0 FHABMO Cc1ncc(-c2cccc([C@H]3CCC[N@@H+](Cc4cscn4)C3)n2)n1C ZINC000257267799 571156127 /nfs/dbraw/zinc/15/61/27/571156127.db2.gz MITXRMNTFXRXJE-HNNXBMFYSA-N 1 1 353.495 3.627 40 0 FHABMO CC(C)[N@H+]1CC[C@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 ZINC000257302910 571159845 /nfs/dbraw/zinc/15/98/45/571159845.db2.gz SEYBDRLQGKSHJD-LBPRGKRZSA-N 1 1 351.376 3.832 40 0 FHABMO C[N@H+]1CCCC[C@@H]2N(C(=O)c3cc(-c4cccc(F)c4)no3)CCC[C@@]21C ZINC000257307786 571160504 /nfs/dbraw/zinc/16/05/04/571160504.db2.gz TUCYWPRYAVGARI-FPOVZHCZSA-N 1 1 371.456 3.960 40 0 FHABMO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@@H+](Cc3cnc(C)nc3)C2)nc1 ZINC000257315931 571161047 /nfs/dbraw/zinc/16/10/47/571161047.db2.gz VDILITZBAZYYAD-LJQANCHMSA-N 1 1 363.465 3.831 40 0 FHABMO CSc1ncc(C[N@H+]2C[C@@H]3CCC[C@](O)(c4ccc(C)cc4)[C@H]3C2)cn1 ZINC000072340460 571179321 /nfs/dbraw/zinc/17/93/21/571179321.db2.gz KNBCWMOYTUBDJR-CUWPLCDZSA-N 1 1 369.534 3.627 40 0 FHABMO CCN(CC)C(=O)c1cnc([C@H]2CCCC[N@@H+]2Cc2ccccc2)nc1C ZINC000072345514 571179650 /nfs/dbraw/zinc/17/96/50/571179650.db2.gz OXDKFOOXLHNHQO-HXUWFJFHSA-N 1 1 366.509 3.994 40 0 FHABMO CCN(CC)C(=O)c1cnc([C@H]2CCCC[N@H+]2Cc2ccccc2)nc1C ZINC000072345514 571179652 /nfs/dbraw/zinc/17/96/52/571179652.db2.gz OXDKFOOXLHNHQO-HXUWFJFHSA-N 1 1 366.509 3.994 40 0 FHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072348747 571180166 /nfs/dbraw/zinc/18/01/66/571180166.db2.gz MNYNWZLXXWVLPU-KRWDZBQOSA-N 1 1 369.484 3.936 40 0 FHABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 ZINC000072349975 571181294 /nfs/dbraw/zinc/18/12/94/571181294.db2.gz WDMHBJWIQHYPOF-LJQANCHMSA-N 1 1 364.468 3.925 40 0 FHABMO Cc1nc([C@H]2CC[N@H+](C(C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072351977 571182070 /nfs/dbraw/zinc/18/20/70/571182070.db2.gz TVIHJZFAZSGFFF-AWEZNQCLSA-N 1 1 358.873 3.888 40 0 FHABMO Cn1cc(C[N@H+]2CCC[C@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cn1 ZINC000072359730 571184069 /nfs/dbraw/zinc/18/40/69/571184069.db2.gz HEESZNLIKPWLML-KRWDZBQOSA-N 1 1 367.884 3.910 40 0 FHABMO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072376051 571185660 /nfs/dbraw/zinc/18/56/60/571185660.db2.gz QWHNHQIQSUUXAV-GOSISDBHSA-N 1 1 362.481 3.642 40 0 FHABMO COc1ccc(C[N@H+]2CCC[C@H](c3cccc(-n4ccnc4C)n3)C2)cc1 ZINC000072379120 571187808 /nfs/dbraw/zinc/18/78/08/571187808.db2.gz ZQCWNXUUQIQYMY-IBGZPJMESA-N 1 1 362.477 3.964 40 0 FHABMO COc1cccc(C[N@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)c1 ZINC000072389985 571189342 /nfs/dbraw/zinc/18/93/42/571189342.db2.gz BIYHTYDJFVMFGF-KRWDZBQOSA-N 1 1 350.422 3.520 40 0 FHABMO COc1cccc(C[N@@H+]2C[C@@H](c3cn(C)c4ccccc34)[C@H](N(C)C)C2)c1 ZINC000072395135 571190225 /nfs/dbraw/zinc/19/02/25/571190225.db2.gz PUAIZSKZBPRPDR-JTHBVZDNSA-N 1 1 363.505 3.717 40 0 FHABMO COc1cccc(CN2C[C@@H](c3cn(C)c4ccccc34)[C@H]([NH+](C)C)C2)c1 ZINC000072395135 571190227 /nfs/dbraw/zinc/19/02/27/571190227.db2.gz PUAIZSKZBPRPDR-JTHBVZDNSA-N 1 1 363.505 3.717 40 0 FHABMO c1cncc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306129716 571213935 /nfs/dbraw/zinc/21/39/35/571213935.db2.gz IKVOQIJZPXQKLY-HXUWFJFHSA-N 1 1 370.460 3.566 40 0 FHABMO COc1ccc(C[N@H+]2CCC[C@]3(CCCN3C(=O)c3ccoc3)CC2)cc1 ZINC000585099981 571221754 /nfs/dbraw/zinc/22/17/54/571221754.db2.gz BWAULUFHEDOSFA-QFIPXVFZSA-N 1 1 368.477 3.949 40 0 FHABMO C[C@H](c1ccccc1)[N@H+]1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104209 571223062 /nfs/dbraw/zinc/22/30/62/571223062.db2.gz KVOGVFDFGQFHAG-VGOFRKELSA-N 1 1 368.452 3.642 40 0 FHABMO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](Cc4ccccc4C)C3)C2)n1 ZINC000585105222 571224329 /nfs/dbraw/zinc/22/43/29/571224329.db2.gz QQSIXZZCIITWHO-OAQYLSRUSA-N 1 1 352.478 3.649 40 0 FHABMO O[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2cccc(-c3ccccn3)c2)CC1 ZINC000128997142 571275407 /nfs/dbraw/zinc/27/54/07/571275407.db2.gz YWQUXMSTEZTNGD-DHIUTWEWSA-N 1 1 365.521 3.606 40 0 FHABMO C[C@H](Cc1ccccn1)NC(=O)[C@H](c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000253608649 571291860 /nfs/dbraw/zinc/29/18/60/571291860.db2.gz SUAITDBMAAHHOH-OPYAIIAOSA-N 1 1 351.494 3.745 40 0 FHABMO c1csc(-c2nc(N3CC[N@H+]4CCC[C@H]4C3)ncc2-c2ccccn2)c1 ZINC000013268024 571303580 /nfs/dbraw/zinc/30/35/80/571303580.db2.gz PBHKONYQZRFLEG-HNNXBMFYSA-N 1 1 363.490 3.552 40 0 FHABMO CC[N@@H+](C)[C@H]1CN(C(=O)c2oc3c(c2C)C(=O)CCC3)C2(C1)CCCCC2 ZINC000019703811 571304556 /nfs/dbraw/zinc/30/45/56/571304556.db2.gz XYNCYXWNQSXTGJ-MRXNPFEDSA-N 1 1 372.509 3.976 40 0 FHABMO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+](Cc3ccnn3C)C2)ccn1 ZINC000257332772 210002896 /nfs/dbraw/zinc/00/28/96/210002896.db2.gz XYOJAALUTNUDQY-SFHVURJKSA-N 1 1 362.481 3.642 40 0 FHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCOc2cc(C)cc(C)c2)cc1 ZINC000224112517 209776558 /nfs/dbraw/zinc/77/65/58/209776558.db2.gz JNZBUWQSLMWHFV-UHFFFAOYSA-N 1 1 363.461 3.665 40 0 FHABMO Fc1ccc(C[N@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1F ZINC000049169821 209333531 /nfs/dbraw/zinc/33/35/31/209333531.db2.gz QTRAYGNPQZVKQK-INIZCTEOSA-N 1 1 355.388 3.928 40 0 biogenic,in-vitro FHABMO c1csc(NC[C@H]2CO[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)n1 ZINC000107790682 209280047 /nfs/dbraw/zinc/28/00/47/209280047.db2.gz ODTCPRFBVSPXNF-ICSRJNTNSA-N 1 1 357.523 3.669 40 0 FHABMO CCCC[C@@]12Oc3c4c(ccc3OC)C[C@@H]3C(=CC=C1OC)[C@@]42CC[N@H+]3C ZINC000096316391 209149693 /nfs/dbraw/zinc/14/96/93/209149693.db2.gz VIVDQLUAHPGFOS-MQNAVGNWSA-N 1 1 367.489 3.985 40 0 biogenic,in-vitro FHABMO Cc1ncsc1C[N@H+]1C[C@H]2CCC[C@@]2(COCc2cnccc2C)C1 ZINC000096208798 209135959 /nfs/dbraw/zinc/13/59/59/209135959.db2.gz ZRMBSXZQLQKMKN-QUCCMNQESA-N 1 1 357.523 3.974 40 0 FHABMO Cc1ccc(C[N@H+]2CCC[C@]23CCCN(C(=O)CCc2cccnc2)C3)o1 ZINC000096214593 209136510 /nfs/dbraw/zinc/13/65/10/209136510.db2.gz LUSLUNMMPSDTOX-QFIPXVFZSA-N 1 1 367.493 3.573 40 0 FHABMO COC[C@H]1CCC2(CCN(C(=O)c3csc4ccccc34)CC2)[N@H+]1C ZINC000096207884 209134071 /nfs/dbraw/zinc/13/40/71/209134071.db2.gz RDGQFFZMGGWFCP-OAHLLOKOSA-N 1 1 358.507 3.617 40 0 FHABMO CCOC[C@@H]1C[N@H+](Cc2cccnc2)Cc2cnn(CC3CCCC3)c21 ZINC000096198445 209133349 /nfs/dbraw/zinc/13/33/49/209133349.db2.gz ZREJVDJQZRQGNZ-FQEVSTJZSA-N 1 1 354.498 3.604 40 0 FHABMO CCOC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2cnn(CC3CCCC3)c21 ZINC000096198445 209133352 /nfs/dbraw/zinc/13/33/52/209133352.db2.gz ZREJVDJQZRQGNZ-FQEVSTJZSA-N 1 1 354.498 3.604 40 0 FHABMO C[C@@H]1CCCC[N@H+]1CCNCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000019496375 220261055 /nfs/dbraw/zinc/26/10/55/220261055.db2.gz SDSGIDKAYNAHTH-CYBMUJFWSA-N 1 1 368.403 3.719 40 0 FHABMO O=C(c1cscn1)N1CC[C@]2(CCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000096071073 209106906 /nfs/dbraw/zinc/10/69/06/209106906.db2.gz INRJOWJJGAUNQR-GOSISDBHSA-N 1 1 361.898 3.677 40 0 FHABMO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccc(OC)c3)n2)cn1 ZINC000035426128 207159366 /nfs/dbraw/zinc/15/93/66/207159366.db2.gz KEXFDYJGYAKSRM-KRWDZBQOSA-N 1 1 365.437 3.519 40 0 biogenic,in-vitro FHABMO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccc(OC)c3)n2)cn1 ZINC000035426128 207159369 /nfs/dbraw/zinc/15/93/69/207159369.db2.gz KEXFDYJGYAKSRM-KRWDZBQOSA-N 1 1 365.437 3.519 40 0 biogenic,in-vitro FHABMO COc1ccc(C(=O)CN(c2ccc(OC)cc2)C2=[NH+]CCCC2)cc1 ZINC000007275415 207192710 /nfs/dbraw/zinc/19/27/10/207192710.db2.gz JIMTVZUXBURDCU-UHFFFAOYSA-N 1 1 352.434 3.976 40 0 FHABMO C[NH+](C)Cc1cc(C[C@@H]2C[C@H](NC(=O)Nc3ccc(F)cc3)C2(C)C)no1 ZINC000067890212 207223715 /nfs/dbraw/zinc/22/37/15/207223715.db2.gz HLNXSNIEWLGAMB-ACJLOTCBSA-N 1 1 374.460 3.654 40 0 biogenic,in-vitro FHABMO COc1ccc(-c2n[nH]cc2C[N@H+](Cc2sccc2C)C[C@@H](C)O)cc1 ZINC000012147046 207343931 /nfs/dbraw/zinc/34/39/31/207343931.db2.gz RZMPZJMLAGPTCD-OAHLLOKOSA-N 1 1 371.506 3.838 40 0 FHABMO COc1ccc(C[N@H+]2Cc3ccccc3O[C@H](CN(C)C)C2)c(C)c1C ZINC000012407693 207371999 /nfs/dbraw/zinc/37/19/99/207371999.db2.gz HDLGSJIMOLOHNW-HXUWFJFHSA-N 1 1 354.494 3.637 40 0 FHABMO COc1ccc(C[N@@H+]2Cc3ccccc3O[C@H](CN(C)C)C2)c(C)c1C ZINC000012407693 207372005 /nfs/dbraw/zinc/37/20/05/207372005.db2.gz HDLGSJIMOLOHNW-HXUWFJFHSA-N 1 1 354.494 3.637 40 0 FHABMO Cc1c(C[N@H+]2CC[C@@](O)(c3ccc(C)cc3)C2)c(-c2ccccc2)nn1C ZINC000019715878 207702063 /nfs/dbraw/zinc/70/20/63/207702063.db2.gz XPZGPHHWFOAFDS-QHCPKHFHSA-N 1 1 361.489 3.797 40 0 FHABMO CCOCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038856812 208207305 /nfs/dbraw/zinc/20/73/05/208207305.db2.gz SUGBLSRWIZDNKE-OAHLLOKOSA-N 1 1 373.324 3.748 40 0 FHABMO CCOCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038856812 208207308 /nfs/dbraw/zinc/20/73/08/208207308.db2.gz SUGBLSRWIZDNKE-OAHLLOKOSA-N 1 1 373.324 3.748 40 0 FHABMO COc1ccc2c(c1)C(=O)CC1(CC[NH+](Cc3ccccc3F)CC1)O2 ZINC000039227040 208208031 /nfs/dbraw/zinc/20/80/31/208208031.db2.gz XYTSWRKZNPAURZ-UHFFFAOYSA-N 1 1 355.409 3.834 40 0 FHABMO O=C(C[NH+]1CCC(Cn2cnc3ccccc32)CC1)Nc1ccc(F)cc1 ZINC000038535510 208203296 /nfs/dbraw/zinc/20/32/96/208203296.db2.gz QUIXCHYGGXSBEN-UHFFFAOYSA-N 1 1 366.440 3.526 40 0 FHABMO Cc1nc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)c2ccccn12 ZINC000043568722 208307046 /nfs/dbraw/zinc/30/70/46/208307046.db2.gz PAEYFZLXFURZKC-SFTDATJTSA-N 1 1 360.505 3.534 40 0 FHABMO Cc1nc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)c2ccccn12 ZINC000043568722 208307051 /nfs/dbraw/zinc/30/70/51/208307051.db2.gz PAEYFZLXFURZKC-SFTDATJTSA-N 1 1 360.505 3.534 40 0 FHABMO COc1cccc(CCCNC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c1 ZINC000044906932 208322436 /nfs/dbraw/zinc/32/24/36/208322436.db2.gz NALIZIPXGPAUDN-UHFFFAOYSA-N 1 1 363.461 3.611 40 0 FHABMO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COCc4cccc(C)n4)C[C@H]32)s1 ZINC000096055546 209105573 /nfs/dbraw/zinc/10/55/73/209105573.db2.gz XODLUZWKOYXKFN-IOMROCGXSA-N 1 1 372.534 3.956 40 0 FHABMO O=C(Nc1ccccc1)[C@@H]1C[N@@H+](Cc2ccsc2)CC12CCOCC2 ZINC000096052247 209102194 /nfs/dbraw/zinc/10/21/94/209102194.db2.gz FCOXYCLYFWLNRY-SFHVURJKSA-N 1 1 356.491 3.615 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)s1 ZINC000096050572 209101977 /nfs/dbraw/zinc/10/19/77/209101977.db2.gz WJSNWCPRSCEGPR-OAQYLSRUSA-N 1 1 354.519 3.990 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)cc1 ZINC000096047022 209100538 /nfs/dbraw/zinc/10/05/38/209100538.db2.gz GZSDCSKNJIVVJA-NRFANRHFSA-N 1 1 370.518 3.885 40 0 FHABMO COc1ccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2)cc1 ZINC000096047625 209100838 /nfs/dbraw/zinc/10/08/38/209100838.db2.gz VODNQTIRZLLDHJ-PZJWPPBQSA-N 1 1 356.441 3.680 40 0 FHABMO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC000096040224 209098032 /nfs/dbraw/zinc/09/80/32/209098032.db2.gz IMVTZFCPCLNRMK-PMACEKPBSA-N 1 1 358.507 3.731 40 0 FHABMO Cc1cccnc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC000096221033 132222622 /nfs/dbraw/zinc/22/26/22/132222622.db2.gz ALJWKZORBYEDIY-HXUWFJFHSA-N 1 1 351.494 3.650 40 0 FHABMO CC(C)Nc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc[nH+]1 ZINC000328964978 132371846 /nfs/dbraw/zinc/37/18/46/132371846.db2.gz BZYGEKACWALEAP-UHFFFAOYSA-N 1 1 352.360 3.758 40 0 FHABMO C[C@@H](O)c1ccc2c(c1)CCN(c1cc[nH+]c(NCc3ccccc3)n1)C2 ZINC000329012105 132372501 /nfs/dbraw/zinc/37/25/01/132372501.db2.gz MJKLEKFCYJOTCO-MRXNPFEDSA-N 1 1 360.461 3.705 40 0 FHABMO CC(C)c1cc(N2CCc3ccccc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329020333 132372634 /nfs/dbraw/zinc/37/26/34/132372634.db2.gz OAZQPYGBJSSQSM-IBGZPJMESA-N 1 1 354.498 3.592 40 0 FHABMO Cc1nc(NC2CC2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000329026084 132372852 /nfs/dbraw/zinc/37/28/52/132372852.db2.gz PJTFPMNZKVLMJM-UHFFFAOYSA-N 1 1 364.371 3.821 40 0 FHABMO COc1cc2c(cc1OC)CN(c1cc(NC3CC3)nc(C(C)C)[nH+]1)CC2 ZINC000329039747 132372897 /nfs/dbraw/zinc/37/28/97/132372897.db2.gz RZNVDYQUFBMYAX-UHFFFAOYSA-N 1 1 368.481 3.754 40 0 FHABMO CC(C)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020512005 519837941 /nfs/dbraw/zinc/83/79/41/519837941.db2.gz XBCDSPSJYCXVJO-UHFFFAOYSA-N 1 1 352.478 3.533 40 0 FHABMO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020460261 523050804 /nfs/dbraw/zinc/05/08/04/523050804.db2.gz KOXNZHOWHBGVCW-JTDSTZFVSA-N 1 1 366.933 3.982 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2cc(C)cc(C)c2C)cc1 ZINC000020462242 527369569 /nfs/dbraw/zinc/36/95/69/527369569.db2.gz DSFRCOVJAPLYPG-UHFFFAOYSA-N 1 1 363.461 3.801 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@H]3COC(=O)N3c3cc(C)ccc3C2)cc1 ZINC000225487819 560042691 /nfs/dbraw/zinc/04/26/91/560042691.db2.gz HFMIRPUHVGXFRU-SFHVURJKSA-N 1 1 352.434 3.735 40 0 biogenic,in-vitro FHABMO CN1CCN(c2ncccc2[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000072216609 570533573 /nfs/dbraw/zinc/53/35/73/570533573.db2.gz LNVBLEIGBNMYPA-OAQYLSRUSA-N 1 1 350.510 3.561 40 0 FHABMO CN1CCN(c2ncccc2[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000072216609 570533574 /nfs/dbraw/zinc/53/35/74/570533574.db2.gz LNVBLEIGBNMYPA-OAQYLSRUSA-N 1 1 350.510 3.561 40 0 FHABMO [NH3+][C@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000072227313 570535729 /nfs/dbraw/zinc/53/57/29/570535729.db2.gz UEDMXCGMYMFLHW-KGLIPLIRSA-N 1 1 351.631 3.518 40 0 FHABMO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072345952 570538254 /nfs/dbraw/zinc/53/82/54/570538254.db2.gz XNRRKZXLHWVZJW-KRWDZBQOSA-N 1 1 363.440 3.640 40 0 FHABMO COc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccco2)cc1 ZINC000004888018 570672744 /nfs/dbraw/zinc/67/27/44/570672744.db2.gz QQCCGLWWFGZOMU-AYHJJNSGSA-N 1 1 369.465 3.995 40 0 FHABMO C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000005625708 570679851 /nfs/dbraw/zinc/67/98/51/570679851.db2.gz MOXRYBHQKVVXBZ-CQSZACIVSA-N 1 1 374.916 3.797 40 0 FHABMO COc1cc2c(cc1C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1)OCO2 ZINC000012187070 570724749 /nfs/dbraw/zinc/72/47/49/570724749.db2.gz BXWUSMNZICOWLG-GOSISDBHSA-N 1 1 373.424 3.744 40 0 FHABMO COc1cc2c(cc1C[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1)OCO2 ZINC000012187070 570724752 /nfs/dbraw/zinc/72/47/52/570724752.db2.gz BXWUSMNZICOWLG-GOSISDBHSA-N 1 1 373.424 3.744 40 0 FHABMO c1csc(-c2cnc(N3CC[N@H+]4CCC[C@@H]4C3)nc2-c2nccs2)c1 ZINC000012251474 570731473 /nfs/dbraw/zinc/73/14/73/570731473.db2.gz FMAPMGBAPLAYEK-CYBMUJFWSA-N 1 1 369.519 3.613 40 0 FHABMO CSc1ccc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc1 ZINC000012667490 570756380 /nfs/dbraw/zinc/75/63/80/570756380.db2.gz DSWBONLFJHBUBU-INIZCTEOSA-N 1 1 367.522 3.721 40 0 FHABMO C[C@@H]1Cc2cc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3cccnc3)ccc2O1 ZINC000019498165 570872892 /nfs/dbraw/zinc/87/28/92/570872892.db2.gz KFAQMCUSCMTESQ-LHGIQQMGSA-N 1 1 364.489 3.525 40 0 FHABMO CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@H+]2Cc1cccc(F)c1 ZINC000019017758 570879531 /nfs/dbraw/zinc/87/95/31/570879531.db2.gz MGDMWCCHVCTMBP-YPAWHYETSA-N 1 1 370.443 3.944 40 0 FHABMO COc1ccc(OC)c([C@H](O)C[N@@H+]2CCc3[nH]c4c(cccc4C)c3C2)c1 ZINC000019236583 570883658 /nfs/dbraw/zinc/88/36/58/570883658.db2.gz WOFMNKFZKWVRHG-HXUWFJFHSA-N 1 1 366.461 3.585 40 0 FHABMO COc1ccc(OC)c([C@H](O)C[N@H+]2CCc3[nH]c4c(cccc4C)c3C2)c1 ZINC000019236583 570883661 /nfs/dbraw/zinc/88/36/61/570883661.db2.gz WOFMNKFZKWVRHG-HXUWFJFHSA-N 1 1 366.461 3.585 40 0 FHABMO Fc1ccc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1F ZINC000019292882 570884580 /nfs/dbraw/zinc/88/45/80/570884580.db2.gz SEHSJLTZAPYVCR-UHFFFAOYSA-N 1 1 356.376 3.789 40 0 FHABMO O=c1cc([C@H]2CCCC[N@H+]2Cc2cccs2)nc(-c2ccccn2)[nH]1 ZINC000019402761 570888714 /nfs/dbraw/zinc/88/87/14/570888714.db2.gz APVVLQULSOTBME-QGZVFWFLSA-N 1 1 352.463 3.621 40 0 FHABMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000019454414 570889753 /nfs/dbraw/zinc/88/97/53/570889753.db2.gz HCPOVLATIYURIR-HXUWFJFHSA-N 1 1 371.481 3.681 40 0 FHABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000019523599 570891155 /nfs/dbraw/zinc/89/11/55/570891155.db2.gz IXOHVARCCCOULJ-CQSZACIVSA-N 1 1 354.479 3.768 40 0 FHABMO CCc1onc(C)c1C(=O)N[C@@H](C)c1[nH+]c2ccccn2c1NC(C)(C)C ZINC000019521168 570891176 /nfs/dbraw/zinc/89/11/76/570891176.db2.gz FABGMSQZXZBADU-ZDUSSCGKSA-N 1 1 369.469 3.895 40 0 FHABMO CCCn1nc(C)c(CN(Cc2ccccn2)C[C@@H]2CCC[N@H+]2CC)c1C ZINC000019525839 570891512 /nfs/dbraw/zinc/89/15/12/570891512.db2.gz AAIROKZFBDGWML-NRFANRHFSA-N 1 1 369.557 3.791 40 0 FHABMO CCCn1nc(C)c(CN(Cc2ccccn2)C[C@H]2CCC[N@H+]2CC)c1C ZINC000019525840 570891616 /nfs/dbraw/zinc/89/16/16/570891616.db2.gz AAIROKZFBDGWML-OAQYLSRUSA-N 1 1 369.557 3.791 40 0 FHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1c[nH]nc1C(C)(C)C)Cc1ccccn1 ZINC000019527153 570892075 /nfs/dbraw/zinc/89/20/75/570892075.db2.gz QBHGCPOOLWIGCX-LJQANCHMSA-N 1 1 355.530 3.589 40 0 FHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1c(C)nc2sccn12)Cc1ccccn1 ZINC000019527147 570892084 /nfs/dbraw/zinc/89/20/84/570892084.db2.gz OVJLTTMCMMEUDM-GOSISDBHSA-N 1 1 369.538 3.586 40 0 FHABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2c2cc[nH]n2)cc1 ZINC000019557232 570892604 /nfs/dbraw/zinc/89/26/04/570892604.db2.gz AAZWNJPWIMCQEI-RBUKOAKNSA-N 1 1 351.425 3.941 40 0 FHABMO COCCC[N@@H+](Cc1ccccn1)Cc1cc(C)cc(C)c1-n1cccn1 ZINC000019566871 570894148 /nfs/dbraw/zinc/89/41/48/570894148.db2.gz XYVPHLPUNVAPKQ-UHFFFAOYSA-N 1 1 364.493 3.923 40 0 FHABMO Cc1nc2cc(NC(=O)CC[NH+]3CCOCC3)ccc2n1C1CCCCC1 ZINC000019717464 570900424 /nfs/dbraw/zinc/90/04/24/570900424.db2.gz MUBQSRZKDLPJTE-UHFFFAOYSA-N 1 1 370.497 3.511 40 0 FHABMO COc1ccc(-c2cnc3n2C[C@H]2C[N@H+](Cc4cccs4)C[C@@H]2C3)cc1 ZINC000306135168 571038935 /nfs/dbraw/zinc/03/89/35/571038935.db2.gz OJSVPQZBCAVOEE-DLBZAZTESA-N 1 1 365.502 3.925 40 0 FHABMO c1ccc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)nc1 ZINC000306135557 571039709 /nfs/dbraw/zinc/03/97/09/571039709.db2.gz OURLJPGCAREQQP-IBGZPJMESA-N 1 1 370.460 3.566 40 0 FHABMO c1cc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cs1 ZINC000306140703 571041614 /nfs/dbraw/zinc/04/16/14/571041614.db2.gz VBIBSMKMTHWLGK-GOSISDBHSA-N 1 1 361.474 3.842 40 0 FHABMO O=C(NCc1ccco1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225576815 571046621 /nfs/dbraw/zinc/04/66/21/571046621.db2.gz OKLMMWTWEJJCPI-UHFFFAOYSA-N 1 1 350.821 3.601 40 0 FHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1cccc(Br)c1 ZINC000225620819 571050273 /nfs/dbraw/zinc/05/02/73/571050273.db2.gz MDCXRPLGNVXIIK-QGZVFWFLSA-N 1 1 367.331 3.762 40 0 FHABMO CCCOC(C)(C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225727093 571059556 /nfs/dbraw/zinc/05/95/56/571059556.db2.gz XRTBTIRJUPZAFG-QGZVFWFLSA-N 1 1 362.514 3.941 40 0 FHABMO Clc1nnc2c(C[N@H+](Cc3ccccc3)C[C@@H]3CCCO3)c[nH]cc1-2 ZINC000057811024 571123154 /nfs/dbraw/zinc/12/31/54/571123154.db2.gz SVOGFUOETIBZJE-INIZCTEOSA-N 1 1 356.857 3.793 40 0 FHABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)s1 ZINC000248113448 571127870 /nfs/dbraw/zinc/12/78/70/571127870.db2.gz RPOKHDYDPWYAEF-MISYRCLQSA-N 1 1 358.507 3.648 40 0 FHABMO Cc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2CCOCc1ccncc1 ZINC000248134934 571127946 /nfs/dbraw/zinc/12/79/46/571127946.db2.gz CIZBRPAVWPHJJA-OAQYLSRUSA-N 1 1 352.478 3.588 40 0 FHABMO CC1(C)Oc2ccccc2[C@H]2OCC3(C[NH+](Cc4ccccn4)C3)C[C@@H]21 ZINC000257226887 571152138 /nfs/dbraw/zinc/15/21/38/571152138.db2.gz FMPQPMLRKGIBEA-AZUAARDMSA-N 1 1 350.462 3.832 40 0 FHABMO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000257248503 571154079 /nfs/dbraw/zinc/15/40/79/571154079.db2.gz JDXPTWSQPDZQEP-GOSISDBHSA-N 1 1 367.497 3.530 40 0 FHABMO c1ncc(C[N@@H+]2CCC[C@H](Cc3cc(Nc4ccccn4)ncn3)C2)s1 ZINC000257259305 571155407 /nfs/dbraw/zinc/15/54/07/571155407.db2.gz KXSODSRWSDKXFP-OAHLLOKOSA-N 1 1 366.494 3.526 40 0 FHABMO Cc1cccnc1C[N@H+]1CCC[C@@H](c2ccnc(Nc3ncccn3)c2)C1 ZINC000257265934 571155916 /nfs/dbraw/zinc/15/59/16/571155916.db2.gz MAXUFVNIZUUSHA-GOSISDBHSA-N 1 1 360.465 3.698 40 0 FHABMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)cn1 ZINC000072358126 571183275 /nfs/dbraw/zinc/18/32/75/571183275.db2.gz PGTGUYPLEWASDS-OAQYLSRUSA-N 1 1 350.441 3.882 40 0 FHABMO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000072358340 571183590 /nfs/dbraw/zinc/18/35/90/571183590.db2.gz ONHWJZLTQAWGQN-GOSISDBHSA-N 1 1 364.493 3.755 40 0 FHABMO COc1cccc(-c2noc([C@H]3CC[N@@H+](CCOc4ccccc4)C3)n2)c1 ZINC000072369890 571185009 /nfs/dbraw/zinc/18/50/09/571185009.db2.gz VXAOGPVVMXTIIZ-KRWDZBQOSA-N 1 1 365.433 3.614 40 0 FHABMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000072376038 571185728 /nfs/dbraw/zinc/18/57/28/571185728.db2.gz JPPUMDZBIXZKKQ-QGZVFWFLSA-N 1 1 362.481 3.642 40 0 FHABMO Fc1ccc(OCC[N@H+]2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378805 571187392 /nfs/dbraw/zinc/18/73/92/571187392.db2.gz RCMFNLKINOSOFM-KRWDZBQOSA-N 1 1 366.440 3.665 40 0 FHABMO c1cncc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306131392 571213881 /nfs/dbraw/zinc/21/38/81/571213881.db2.gz KDCYUZSIJVQSIM-HXUWFJFHSA-N 1 1 370.460 3.566 40 0 FHABMO c1cc(C[N@H+]2CC[C@@]3(CN(Cc4ccccn4)c4cccnc43)C2)cs1 ZINC000306132371 571214170 /nfs/dbraw/zinc/21/41/70/571214170.db2.gz LGUWBIIHCZYVNQ-NRFANRHFSA-N 1 1 362.502 3.702 40 0 FHABMO Cc1ncsc1C[N@@H+]1Cc2cccn2C[C@@H](CCNc2ccccn2)C1 ZINC000585095063 571219831 /nfs/dbraw/zinc/21/98/31/571219831.db2.gz CKCAUVRHKAUTPM-KRWDZBQOSA-N 1 1 367.522 3.782 40 0 FHABMO O=C(c1ccc2ccccc2c1)N1CCC[C@@]2(CC[N@H+]2C[C@@H]2CCCO2)C1 ZINC000585101761 571222039 /nfs/dbraw/zinc/22/20/39/571222039.db2.gz DWYRCNGAGPJNNT-JTHBVZDNSA-N 1 1 364.489 3.699 40 0 FHABMO Cc1noc(C)c1C[N@@H+]1CC[C@@]12CCCN(C(=O)C1(C)CCCCC1)C2 ZINC000585102213 571222304 /nfs/dbraw/zinc/22/23/04/571222304.db2.gz TZFRATMGQIPJGM-OAQYLSRUSA-N 1 1 359.514 3.829 40 0 FHABMO Cc1noc(C)c1C[N@H+]1CC[C@@]12CCCN(C(=O)C1(C)CCCCC1)C2 ZINC000585102213 571222306 /nfs/dbraw/zinc/22/23/06/571222306.db2.gz TZFRATMGQIPJGM-OAQYLSRUSA-N 1 1 359.514 3.829 40 0 FHABMO O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccncc1 ZINC000585109818 571225102 /nfs/dbraw/zinc/22/51/02/571225102.db2.gz WXKXLPRNJJJWIU-RJGXRXQPSA-N 1 1 369.468 3.782 40 0 FHABMO COCC[N@H+]1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000585113204 571226544 /nfs/dbraw/zinc/22/65/44/571226544.db2.gz CHJWYIFCLULILF-OAQYLSRUSA-N 1 1 358.526 3.657 40 0 FHABMO Cc1c[nH]c(-c2cc(C[C@H]3CC[N@@H+](Cc4cccc5[nH]ccc54)C3)ncn2)n1 ZINC000585182523 571238213 /nfs/dbraw/zinc/23/82/13/571238213.db2.gz AHDOZWVMBULGLP-MRXNPFEDSA-N 1 1 372.476 3.721 40 0 FHABMO c1c[nH]c(-c2cnc(C[C@H]3CCC[N@@H+](Cc4c[nH]c5ccccc45)C3)cn2)n1 ZINC000585182390 571238411 /nfs/dbraw/zinc/23/84/11/571238411.db2.gz GDKRSPIFVNRRAP-MRXNPFEDSA-N 1 1 372.476 3.803 40 0 FHABMO C[C@H](Cc1ccccn1)NC(=O)[C@@H](c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000253608646 571291849 /nfs/dbraw/zinc/29/18/49/571291849.db2.gz SUAITDBMAAHHOH-DBXWQHBBSA-N 1 1 351.494 3.745 40 0 FHABMO c1cc(-c2ccc([C@@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)nc2)n[nH]1 ZINC000019692431 571304378 /nfs/dbraw/zinc/30/43/78/571304378.db2.gz UDGBHSJEAVLRBQ-QFIPXVFZSA-N 1 1 371.444 3.593 40 0 FHABMO c1cc(-c2ccc([C@@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)nc2)n[nH]1 ZINC000019692431 571304379 /nfs/dbraw/zinc/30/43/79/571304379.db2.gz UDGBHSJEAVLRBQ-QFIPXVFZSA-N 1 1 371.444 3.593 40 0 FHABMO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@@H+]2Cc1cccc(F)c1 ZINC000019712595 571304671 /nfs/dbraw/zinc/30/46/71/571304671.db2.gz RFQXYFNYFOGLNR-VWPQPMDRSA-N 1 1 352.453 3.853 40 0 FHABMO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000044933111 571306312 /nfs/dbraw/zinc/30/63/12/571306312.db2.gz WDVLMUIGDYQGME-PXNSSMCTSA-N 1 1 352.478 3.785 40 0 FHABMO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(C)cc3)[nH]2)cc1OCC ZINC000095534201 571331334 /nfs/dbraw/zinc/33/13/34/571331334.db2.gz VCPHTYLMBASRQE-SFHVURJKSA-N 1 1 352.438 3.626 40 0 FHABMO CC[C@H](Oc1cccc(OC)c1)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000260529548 941405201 /nfs/dbraw/zinc/40/52/01/941405201.db2.gz IFJFHGQVMURPJP-XLIONFOSSA-N 1 1 362.514 3.623 40 0 FHABMO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000257338731 210002371 /nfs/dbraw/zinc/00/23/71/210002371.db2.gz YYSWVOPBLLKBOC-OAHLLOKOSA-N 1 1 366.494 3.760 40 0 FHABMO COc1ccc2[nH]c(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCC[N@H+]4C)cc2c1 ZINC000257277900 209986225 /nfs/dbraw/zinc/98/62/25/209986225.db2.gz NZYZBVKOHDYSFS-FPOVZHCZSA-N 1 1 355.482 3.656 40 0 FHABMO Cc1ccc([C@@H](c2nnnn2Cc2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000001330591 209387049 /nfs/dbraw/zinc/38/70/49/209387049.db2.gz VNONSUKWQUTRDV-NRFANRHFSA-N 1 1 361.493 3.851 40 0 FHABMO COc1ccc(-c2[nH+]c3ccc(C)cn3c2NC[C@@H]2CCCO2)c(OC)c1 ZINC000000883975 209380476 /nfs/dbraw/zinc/38/04/76/209380476.db2.gz RHQLFKZLSWGKHK-INIZCTEOSA-N 1 1 367.449 3.918 40 0 FHABMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)o2)cc1 ZINC000049170107 209333687 /nfs/dbraw/zinc/33/36/87/209333687.db2.gz PZAYSPDHWATIHV-INIZCTEOSA-N 1 1 353.397 3.874 40 0 biogenic,in-vitro FHABMO O=C1CC[C@]2(CCC[N@@H+](Cc3cccs3)CC2)N1Cc1ccncc1 ZINC000096218086 209138181 /nfs/dbraw/zinc/13/81/81/209138181.db2.gz XKRUOMQAKFVGPT-FQEVSTJZSA-N 1 1 355.507 3.690 40 0 FHABMO Cc1noc(C)c1CN1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216275 209136468 /nfs/dbraw/zinc/13/64/68/209136468.db2.gz DYSNMLCHGORSGO-QFIPXVFZSA-N 1 1 369.509 3.658 40 0 FHABMO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216275 209136470 /nfs/dbraw/zinc/13/64/70/209136470.db2.gz DYSNMLCHGORSGO-QFIPXVFZSA-N 1 1 369.509 3.658 40 0 FHABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216275 209136472 /nfs/dbraw/zinc/13/64/72/209136472.db2.gz DYSNMLCHGORSGO-QFIPXVFZSA-N 1 1 369.509 3.658 40 0 FHABMO c1csc(C[N@H+]2CCO[C@@]3(CCC[C@H]3COCc3ccccn3)C2)c1 ZINC000096160960 209126951 /nfs/dbraw/zinc/12/69/51/209126951.db2.gz QHSRJAMPMPODCL-PXNSSMCTSA-N 1 1 358.507 3.731 40 0 FHABMO c1coc(CN2CCC3(CC2)C[C@@H]([NH2+][C@@H]2CCOC2)c2ccccc2O3)c1 ZINC000096079854 209110557 /nfs/dbraw/zinc/11/05/57/209110557.db2.gz FNQIRBRMTNLLTF-YLJYHZDGSA-N 1 1 368.477 3.517 40 0 FHABMO O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096081063 209109483 /nfs/dbraw/zinc/10/94/83/209109483.db2.gz KABBIPMQJNHTOO-CALCHBBNSA-N 1 1 355.869 3.936 40 0 FHABMO CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000004429621 207019862 /nfs/dbraw/zinc/01/98/62/207019862.db2.gz IVBGOSVLURUGPB-IBGZPJMESA-N 1 1 352.478 3.979 40 0 FHABMO COc1ccccc1C[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCCO1 ZINC000012187560 207345969 /nfs/dbraw/zinc/34/59/69/207345969.db2.gz NRGWFUMYWKMQCA-NRFANRHFSA-N 1 1 368.477 3.835 40 0 FHABMO CSc1ccc(C[N@H+]2CCC[C@@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000012086798 207336458 /nfs/dbraw/zinc/33/64/58/207336458.db2.gz ZKWDGGSAXVAMNG-NRFANRHFSA-N 1 1 368.502 3.566 40 0 FHABMO CCOc1ccccc1C[N@H+]1CCC[C@@H](n2c3ccccc3oc2=O)C1 ZINC000012119116 207339227 /nfs/dbraw/zinc/33/92/27/207339227.db2.gz JNWQBDJYDCYTPV-QGZVFWFLSA-N 1 1 352.434 3.830 40 0 FHABMO COc1ccc([C@@H]2C[N@@H+](Cc3cccc(OC)c3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128510 207341653 /nfs/dbraw/zinc/34/16/53/207341653.db2.gz WSXMGCOQYDZWDR-LEWJYISDSA-N 1 1 363.461 3.810 40 0 FHABMO Fc1ccc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1F ZINC000019341463 207660881 /nfs/dbraw/zinc/66/08/81/207660881.db2.gz VYXFNIINAOXFBF-UHFFFAOYSA-N 1 1 356.376 3.789 40 0 FHABMO COc1ccc(CN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030946125 208008736 /nfs/dbraw/zinc/00/87/36/208008736.db2.gz ZNIWWLJFSFKPMR-LJQANCHMSA-N 1 1 370.468 3.705 40 0 FHABMO C[C@@H](CC[N@H+]1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1)c1ccccc1 ZINC000036719528 208172084 /nfs/dbraw/zinc/17/20/84/208172084.db2.gz NBDFZZHBQPJTOU-HKUYNNGSSA-N 1 1 374.488 3.815 40 0 FHABMO COCCC[N@@H+](CC1(c2ccc(Cl)cc2)CC1)C1CCN(C)CC1 ZINC000036743639 208172699 /nfs/dbraw/zinc/17/26/99/208172699.db2.gz LRNVOTJGFDZIAF-UHFFFAOYSA-N 1 1 350.934 3.804 40 0 FHABMO COc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038848814 208207921 /nfs/dbraw/zinc/20/79/21/208207921.db2.gz YYFTXJSOXGETMZ-SFHVURJKSA-N 1 1 372.896 3.877 40 0 FHABMO COc1ccc(OC)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000038834749 208205981 /nfs/dbraw/zinc/20/59/81/208205981.db2.gz XEQPSOGRTHTYIT-QGZVFWFLSA-N 1 1 354.450 3.555 40 0 FHABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO[C@H]12 ZINC000096057144 209103992 /nfs/dbraw/zinc/10/39/92/209103992.db2.gz LRSFRBQZLJKHQT-WMQCIHAUSA-N 1 1 358.457 3.530 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2cccnc2)C3)s1 ZINC000096047119 209100503 /nfs/dbraw/zinc/10/05/03/209100503.db2.gz NYLYVZMGXXVUDU-OAQYLSRUSA-N 1 1 369.534 3.509 40 0 FHABMO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]21 ZINC000072392522 208844413 /nfs/dbraw/zinc/84/44/13/208844413.db2.gz QOHAXFXWJLMYLQ-MZKRTTBSSA-N 1 1 359.473 3.668 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)o1 ZINC000096040234 209098188 /nfs/dbraw/zinc/09/81/88/209098188.db2.gz CVVMBBBQWHFGPD-NHCUHLMSSA-N 1 1 356.466 3.571 40 0 FHABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)cs1 ZINC000096040176 209098128 /nfs/dbraw/zinc/09/81/28/209098128.db2.gz ZUGYZQHBLMXGKS-PMACEKPBSA-N 1 1 358.507 3.731 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)cc1 ZINC000096046952 209099855 /nfs/dbraw/zinc/09/98/55/209099855.db2.gz NJAOWTPPKYPKKH-JOCHJYFZSA-N 1 1 351.494 3.578 40 0 FHABMO CC[C@@H](C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]c(C)n1 ZINC000329066919 132373263 /nfs/dbraw/zinc/37/32/63/132373263.db2.gz YEVCYGQOZGCTOY-CQSZACIVSA-N 1 1 354.498 3.786 40 0 FHABMO [NH3+][C@H](c1nc(-c2ccc(Br)o2)n[nH]1)c1ccc(Cl)cc1 ZINC000095534038 209078387 /nfs/dbraw/zinc/07/83/87/209078387.db2.gz ZLCCVVLRLTYMOO-NSHDSACASA-N 1 1 353.607 3.529 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccccc2Cl)cc1 ZINC000020107070 527370806 /nfs/dbraw/zinc/37/08/06/527370806.db2.gz BWEIYDBKVZJZMY-UHFFFAOYSA-N 1 1 355.825 3.529 40 0 FHABMO CC[C@@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000013408812 560216413 /nfs/dbraw/zinc/21/64/13/560216413.db2.gz NMLUOJBSAYAYEM-OCUKFOPLSA-N 1 1 368.477 3.817 40 0 biogenic,in-vitro FHABMO CC[C@@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000013408812 560216414 /nfs/dbraw/zinc/21/64/14/560216414.db2.gz NMLUOJBSAYAYEM-OCUKFOPLSA-N 1 1 368.477 3.817 40 0 biogenic,in-vitro FHABMO CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000216343572 568118883 /nfs/dbraw/zinc/11/88/83/568118883.db2.gz XSNKFQUKBMIOKL-OAQYLSRUSA-N 1 1 363.461 3.963 40 0 FHABMO CC[NH+](CC)CCNCc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000022075274 568203717 /nfs/dbraw/zinc/20/37/17/568203717.db2.gz WMDBQNHBLDCRGM-UHFFFAOYSA-N 1 1 360.473 3.845 40 0 FHABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3ccc(O)cc3)CC2)c(C)c1 ZINC000585272447 570486856 /nfs/dbraw/zinc/48/68/56/570486856.db2.gz IUTOKCFSYFYTCO-JOCHJYFZSA-N 1 1 355.478 3.805 40 0 FHABMO CC(C)[N@H+]1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216461 570533442 /nfs/dbraw/zinc/53/34/42/570533442.db2.gz WHBKVIBZPMSGON-GOSISDBHSA-N 1 1 374.529 3.684 40 0 FHABMO Cc1cc(N2CCOCC2)[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072219436 570534850 /nfs/dbraw/zinc/53/48/50/570534850.db2.gz PDJVHPPFINGXSH-FQEVSTJZSA-N 1 1 365.477 3.594 40 0 FHABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000072227958 570535394 /nfs/dbraw/zinc/53/53/94/570535394.db2.gz NEAYWWIENOCPQR-UONOGXRCSA-N 1 1 351.631 3.518 40 0 FHABMO COc1ccc(-c2noc([C@@H]3CC[N@@H+](Cc4cccc(OC)c4)C3)n2)cc1 ZINC000072369923 570546725 /nfs/dbraw/zinc/54/67/25/570546725.db2.gz HGHOZMSIGOZAKC-QGZVFWFLSA-N 1 1 365.433 3.743 40 0 FHABMO COc1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc2c1OCO2 ZINC000013993342 570840519 /nfs/dbraw/zinc/84/05/19/570840519.db2.gz WYEGNDCKPGASIA-SFHVURJKSA-N 1 1 355.434 3.605 40 0 FHABMO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019019503 570879494 /nfs/dbraw/zinc/87/94/94/570879494.db2.gz OIFRQQARQQJNKF-UFYCRDLUSA-N 1 1 358.482 3.724 40 0 FHABMO CC(=O)N1Cc2ccccc2O[C@]2(CCC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000019019746 570879514 /nfs/dbraw/zinc/87/95/14/570879514.db2.gz CTOYQLVRUVAXLO-QFIPXVFZSA-N 1 1 368.452 3.601 40 0 FHABMO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3[C@@H]3CCSC3)cc2n1 ZINC000019116828 570880482 /nfs/dbraw/zinc/88/04/82/570880482.db2.gz YSBXKGHIUSIMLB-DGCLKSJQSA-N 1 1 356.417 3.699 40 0 FHABMO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3[C@@H]3CCSC3)cc2n1 ZINC000019116828 570880485 /nfs/dbraw/zinc/88/04/85/570880485.db2.gz YSBXKGHIUSIMLB-DGCLKSJQSA-N 1 1 356.417 3.699 40 0 FHABMO COc1cccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccc(C)nc3)o2)c1 ZINC000019215096 570881770 /nfs/dbraw/zinc/88/17/70/570881770.db2.gz MWJOTQCAHAITGY-GOSISDBHSA-N 1 1 350.422 3.786 40 0 FHABMO COc1cccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3ccc(C)nc3)o2)c1 ZINC000019215096 570881774 /nfs/dbraw/zinc/88/17/74/570881774.db2.gz MWJOTQCAHAITGY-GOSISDBHSA-N 1 1 350.422 3.786 40 0 FHABMO Cc1[nH+]ccn1CC1(O)CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000019287994 570884524 /nfs/dbraw/zinc/88/45/24/570884524.db2.gz ROVDQFLFQMPCJP-UHFFFAOYSA-N 1 1 354.281 3.525 40 0 FHABMO O=C(NC1CC1)c1cc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)no1 ZINC000019293407 570885291 /nfs/dbraw/zinc/88/52/91/570885291.db2.gz VFTOTJPRLXVFMO-AWEZNQCLSA-N 1 1 359.857 3.600 40 0 FHABMO OC1(Cn2ccc3ccncc32)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1F ZINC000019348743 570886623 /nfs/dbraw/zinc/88/66/23/570886623.db2.gz BDFRTDLDWXJDAB-QIDMFYOTSA-N 1 1 365.452 3.734 40 0 FHABMO c1coc(-c2nc(N3CCCC3)nc3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC000019372332 570888143 /nfs/dbraw/zinc/88/81/43/570888143.db2.gz UFNWUDUSOJVUDO-UHFFFAOYSA-N 1 1 360.461 3.895 40 0 FHABMO c1coc(-c2nc(N3CCCC3)nc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000019372332 570888146 /nfs/dbraw/zinc/88/81/46/570888146.db2.gz UFNWUDUSOJVUDO-UHFFFAOYSA-N 1 1 360.461 3.895 40 0 FHABMO O=c1cc([C@H]2CCCC[N@@H+]2Cc2ccsc2)nc(-c2ccncc2)[nH]1 ZINC000019405831 570888441 /nfs/dbraw/zinc/88/84/41/570888441.db2.gz LMMHPCWGNSTPKS-QGZVFWFLSA-N 1 1 352.463 3.621 40 0 FHABMO O=c1cc([C@H]2CCCC[N@H+]2Cc2ccsc2)nc(-c2ccncc2)[nH]1 ZINC000019405831 570888446 /nfs/dbraw/zinc/88/84/46/570888446.db2.gz LMMHPCWGNSTPKS-QGZVFWFLSA-N 1 1 352.463 3.621 40 0 FHABMO CC(C)C[N@@H+]1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 ZINC000019447216 570889290 /nfs/dbraw/zinc/88/92/90/570889290.db2.gz XXJDQGOJWDLTHW-UHFFFAOYSA-N 1 1 358.526 3.551 40 0 FHABMO CC(C)C[N@H+]1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 ZINC000019447216 570889293 /nfs/dbraw/zinc/88/92/93/570889293.db2.gz XXJDQGOJWDLTHW-UHFFFAOYSA-N 1 1 358.526 3.551 40 0 FHABMO COc1ccc(OC)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)c1 ZINC000019551703 570892814 /nfs/dbraw/zinc/89/28/14/570892814.db2.gz DRAPPXQRLQMVTQ-VQTJNVASSA-N 1 1 363.461 3.810 40 0 FHABMO C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccc(Cl)c(F)c1)C2 ZINC000019589004 570895092 /nfs/dbraw/zinc/89/50/92/570895092.db2.gz DMNHPKJFVMXOBG-LJQANCHMSA-N 1 1 374.891 3.984 40 0 FHABMO C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccc(Cl)c(F)c1)C2 ZINC000019589004 570895096 /nfs/dbraw/zinc/89/50/96/570895096.db2.gz DMNHPKJFVMXOBG-LJQANCHMSA-N 1 1 374.891 3.984 40 0 FHABMO COc1ccc2[nH]c(C[N@@H+](Cc3ccccn3)C[C@H]3CCCO3)cc2c1 ZINC000019663019 570897909 /nfs/dbraw/zinc/89/79/09/570897909.db2.gz YRHYJHIVYFAJGF-HXUWFJFHSA-N 1 1 351.450 3.753 40 0 FHABMO COc1ccc2[nH]c(C[N@H+](Cc3ccccn3)C[C@H]3CCCO3)cc2c1 ZINC000019663019 570897910 /nfs/dbraw/zinc/89/79/10/570897910.db2.gz YRHYJHIVYFAJGF-HXUWFJFHSA-N 1 1 351.450 3.753 40 0 FHABMO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)C[N@H+]2Cc1ccccc1 ZINC000019712632 570899471 /nfs/dbraw/zinc/89/94/71/570899471.db2.gz ZEDUJEDZINZJMF-VWPQPMDRSA-N 1 1 352.453 3.853 40 0 FHABMO COc1ccc(-c2n[nH]cc2-c2cncn2CC[N@@H+](C)C2CCCC2)cc1 ZINC000019719572 570900876 /nfs/dbraw/zinc/90/08/76/570900876.db2.gz AHILIJBHUIRXEG-UHFFFAOYSA-N 1 1 365.481 3.823 40 0 FHABMO Cc1nc([C@@H]2CCCC[N@H+]2C2CCCC2)ncc1C(=O)N1CCCCC1 ZINC000019765729 570902211 /nfs/dbraw/zinc/90/22/11/570902211.db2.gz ZPMICKCDXHATML-IBGZPJMESA-N 1 1 356.514 3.881 40 0 FHABMO COc1ccc(CCC(=O)N2CCC([C@H]3CCCC[N@H+]3C)CC2)cc1C ZINC000019747105 570902353 /nfs/dbraw/zinc/90/23/53/570902353.db2.gz SYIBTWAVZGQIPT-HXUWFJFHSA-N 1 1 358.526 3.659 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccccc1Br ZINC000020104140 570909915 /nfs/dbraw/zinc/90/99/15/570909915.db2.gz AOOJYSFZQPCISH-UHFFFAOYSA-N 1 1 370.250 3.873 40 0 FHABMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000224990448 571009261 /nfs/dbraw/zinc/00/92/61/571009261.db2.gz AYCYBCUALMGSGP-GASCZTMLSA-N 1 1 352.906 3.592 40 0 FHABMO COc1ccc(C[N@@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306134158 571039001 /nfs/dbraw/zinc/03/90/01/571039001.db2.gz NEULACFYEOXMDG-UXHICEINSA-N 1 1 359.473 3.863 40 0 FHABMO c1cc(C[N@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cs1 ZINC000306140704 571041425 /nfs/dbraw/zinc/04/14/25/571041425.db2.gz VBIBSMKMTHWLGK-SFHVURJKSA-N 1 1 361.474 3.842 40 0 FHABMO c1csc(C[N@H+]2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 ZINC000306139703 571041492 /nfs/dbraw/zinc/04/14/92/571041492.db2.gz TXYVAICYHNAMIS-GOSISDBHSA-N 1 1 357.504 3.848 40 0 FHABMO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225611453 571049493 /nfs/dbraw/zinc/04/94/93/571049493.db2.gz XQWNQTBWYQCCGV-DYESRHJHSA-N 1 1 362.514 3.941 40 0 FHABMO CCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225611485 571049568 /nfs/dbraw/zinc/04/95/68/571049568.db2.gz XQWNQTBWYQCCGV-UTKZUKDTSA-N 1 1 362.514 3.941 40 0 FHABMO O=C(NC[C@H]1CCCO1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225908388 571079600 /nfs/dbraw/zinc/07/96/00/571079600.db2.gz ILNISRZLVAETCD-GDBMZVCRSA-N 1 1 371.308 3.501 40 0 FHABMO O=C(NC[C@H]1CCCO1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225908388 571079602 /nfs/dbraw/zinc/07/96/02/571079602.db2.gz ILNISRZLVAETCD-GDBMZVCRSA-N 1 1 371.308 3.501 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CSCc1ccccc1 ZINC000044843739 571102561 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KNBBZRNIMQATMF-QFBILLFUSA-N 1 1 353.466 3.843 40 0 FHABMO CC(=O)N1Cc2ccccc2O[C@@]2(CCC[N@@H+](Cc3ccccc3F)C2)C1 ZINC000012087205 207337407 /nfs/dbraw/zinc/33/74/07/207337407.db2.gz DIBCLEKILFKQMJ-JOCHJYFZSA-N 1 1 368.452 3.601 40 0 FHABMO CSc1ccc(C[N@H+]2CCC[C@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000012086797 207337451 /nfs/dbraw/zinc/33/74/51/207337451.db2.gz ZKWDGGSAXVAMNG-OAQYLSRUSA-N 1 1 368.502 3.566 40 0 FHABMO COc1ccc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)cc1OC ZINC000012122124 207339692 /nfs/dbraw/zinc/33/96/92/207339692.db2.gz CNBSFALCMQGFLN-UHFFFAOYSA-N 1 1 369.461 3.648 40 0 FHABMO CC(C)Oc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1 ZINC000012134986 207341203 /nfs/dbraw/zinc/34/12/03/207341203.db2.gz HBZYLPHEUVFRFD-TYABSZSSSA-N 1 1 366.505 3.989 40 0 FHABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3OC)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128505 207341376 /nfs/dbraw/zinc/34/13/76/207341376.db2.gz RTMGOOZICDAMME-VQTJNVASSA-N 1 1 363.461 3.810 40 0 FHABMO 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FHABMO COc1ccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4ccc(C)s4)C3)C2)cc1 ZINC000096047623 209100644 /nfs/dbraw/zinc/10/06/44/209100644.db2.gz XNHUGRVAURQNRN-FXAWDEMLSA-N 1 1 358.507 3.911 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)o1 ZINC000096040235 209098049 /nfs/dbraw/zinc/09/80/49/209098049.db2.gz CVVMBBBQWHFGPD-LEWJYISDSA-N 1 1 356.466 3.571 40 0 FHABMO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 ZINC000095951537 209089903 /nfs/dbraw/zinc/08/99/03/209089903.db2.gz MGBLMIZYLJHQES-XJUOHMSHSA-N 1 1 364.489 3.722 40 0 FHABMO COc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc(C)[nH+]1)C2 ZINC000329036470 132372813 /nfs/dbraw/zinc/37/28/13/132372813.db2.gz RJDZEXTWDMYQKW-UHFFFAOYSA-N 1 1 360.461 3.968 40 0 FHABMO Cc1nc(N[C@H](CO)C(C)C)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000329045495 132373093 /nfs/dbraw/zinc/37/30/93/132373093.db2.gz TVWKOKVMMKEXGY-GOSISDBHSA-N 1 1 354.498 3.555 40 0 FHABMO Cc1nc(N[C@@H](CO)C(C)C)cc(N2Cc3ccccc3C(C)(C)C2)[nH+]1 ZINC000329069405 132373321 /nfs/dbraw/zinc/37/33/21/132373321.db2.gz YWXYFYQJYDJHGT-SFHVURJKSA-N 1 1 354.498 3.512 40 0 FHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)Sc1ccc(OC)cc1 ZINC000020457058 523168461 /nfs/dbraw/zinc/16/84/61/523168461.db2.gz SRPCWYIPCBTALJ-IAGOWNOFSA-N 1 1 364.555 3.947 40 0 FHABMO CC(C)[C@H](CO)Nc1nc(N2Cc3ccccc3C[C@H]2C)cc(C2CC2)[nH+]1 ZINC000329034405 535037197 /nfs/dbraw/zinc/03/71/97/535037197.db2.gz QZEMZKMFEYSDSF-QRWLVFNGSA-N 1 1 366.509 3.734 40 0 FHABMO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](CC2CC2)CC[C@@]1(C)O ZINC000514289933 560031524 /nfs/dbraw/zinc/03/15/24/560031524.db2.gz OREHEZIHFYWYAU-CMKODMSKSA-N 1 1 364.555 3.577 40 0 biogenic,in-vitro FHABMO Cn1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)c2ccccc21 ZINC000015674118 560230941 /nfs/dbraw/zinc/23/09/41/560230941.db2.gz GHVRBDMDAKFHDQ-XLIONFOSSA-N 1 1 374.444 3.536 40 0 biogenic,in-vitro FHABMO Cn1cc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)c2ccccc21 ZINC000015674118 560230942 /nfs/dbraw/zinc/23/09/42/560230942.db2.gz GHVRBDMDAKFHDQ-XLIONFOSSA-N 1 1 374.444 3.536 40 0 biogenic,in-vitro FHABMO CSc1nnc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000223499718 568662346 /nfs/dbraw/zinc/66/23/46/568662346.db2.gz OONXRMFWTXLVOU-GFCCVEGCSA-N 1 1 362.524 3.744 40 0 FHABMO Cc1cc(C)c(C)c(OC[C@@]2(O)COCC[N@H+](C3CCCCCC3)C2)c1 ZINC000585282661 570493090 /nfs/dbraw/zinc/49/30/90/570493090.db2.gz MIWYLNWJBLNKBW-QFIPXVFZSA-N 1 1 361.526 3.777 40 0 FHABMO CNc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c(C)[nH+]1 ZINC000072219139 570534189 /nfs/dbraw/zinc/53/41/89/570534189.db2.gz YFVFTZQPCDPSHK-SFHVURJKSA-N 1 1 359.495 3.656 40 0 FHABMO Cc1[nH+]c(N2CCOCC2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072219653 570534830 /nfs/dbraw/zinc/53/48/30/570534830.db2.gz WVBJEMJUYMPBPJ-KRWDZBQOSA-N 1 1 361.486 3.689 40 0 FHABMO Cc1[nH+]c(N2CCOCC2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072219654 570534846 /nfs/dbraw/zinc/53/48/46/570534846.db2.gz WVBJEMJUYMPBPJ-QGZVFWFLSA-N 1 1 361.486 3.689 40 0 FHABMO CCOc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072228108 570536283 /nfs/dbraw/zinc/53/62/83/570536283.db2.gz XNTCZJARRKATKW-HZPDHXFCSA-N 1 1 351.233 3.807 40 0 FHABMO COc1ccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccccc4F)C3)n2)cc1 ZINC000072369913 570546825 /nfs/dbraw/zinc/54/68/25/570546825.db2.gz WIGOQMNBEVAORZ-MRXNPFEDSA-N 1 1 353.397 3.874 40 0 FHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000260408986 570625105 /nfs/dbraw/zinc/62/51/05/570625105.db2.gz YGDPWPHHMVDSEE-DOTOQJQBSA-N 1 1 352.906 3.878 40 0 FHABMO CO[C@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(O)cc2)CC1 ZINC000257310253 570627624 /nfs/dbraw/zinc/62/76/24/570627624.db2.gz UEJNXLLIIRBETP-OAQYLSRUSA-N 1 1 359.441 3.981 40 0 FHABMO Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)N5CC[NH+](C)CC5)(C4)C2)C3)cc1 ZINC000013154390 570775086 /nfs/dbraw/zinc/77/50/86/570775086.db2.gz CMXBQJXVKBWQCN-MGAZVUHYSA-N 1 1 352.522 3.607 40 0 FHABMO COc1ccc(C[N@@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)cc1O ZINC000013995128 570840571 /nfs/dbraw/zinc/84/05/71/570840571.db2.gz CNYLXBUZVNRDNW-SFHVURJKSA-N 1 1 357.450 3.591 40 0 FHABMO COc1ccc(C[N@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)cc1O ZINC000013995128 570840573 /nfs/dbraw/zinc/84/05/73/570840573.db2.gz CNYLXBUZVNRDNW-SFHVURJKSA-N 1 1 357.450 3.591 40 0 FHABMO CCC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C/C1=C\C(=O)OCC ZINC000017061363 570865337 /nfs/dbraw/zinc/86/53/37/570865337.db2.gz LFZYBLRISRNIIY-OHZRUPMASA-N 1 1 373.493 3.913 40 0 FHABMO O=C(NC[C@@H]1CCCO1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849070 570866261 /nfs/dbraw/zinc/86/62/61/570866261.db2.gz ILNISRZLVAETCD-HOCLYGCPSA-N 1 1 371.308 3.501 40 0 FHABMO O=C(NC[C@@H]1CCCO1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849070 570866262 /nfs/dbraw/zinc/86/62/62/570866262.db2.gz ILNISRZLVAETCD-HOCLYGCPSA-N 1 1 371.308 3.501 40 0 FHABMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C1 ZINC000188966377 570872281 /nfs/dbraw/zinc/87/22/81/570872281.db2.gz YCFYNVHZPMAWDP-AWEZNQCLSA-N 1 1 352.881 3.950 40 0 FHABMO C[C@H]1Cc2cc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3cccnc3)ccc2O1 ZINC000019498166 570872829 /nfs/dbraw/zinc/87/28/29/570872829.db2.gz KFAQMCUSCMTESQ-DGLRVSLGSA-N 1 1 364.489 3.525 40 0 FHABMO COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@H+](C4CCCCC4)C[C@@H]32)c1 ZINC000019019402 570879256 /nfs/dbraw/zinc/87/92/56/570879256.db2.gz GGJBIJQDHLMQDO-YPAWHYETSA-N 1 1 356.510 3.664 40 0 FHABMO CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@H+]2Cc1ccccn1 ZINC000019017596 570879618 /nfs/dbraw/zinc/87/96/18/570879618.db2.gz LWOHMXRMKOMQKE-DNVJHFABSA-N 1 1 363.505 3.841 40 0 FHABMO Cc1ccc(C2(CNC(=O)[C@H](C)n3cc[nH+]c3C(C)C)CCOCC2)cc1 ZINC000019208642 570881475 /nfs/dbraw/zinc/88/14/75/570881475.db2.gz BOGSRJHVNYEVPJ-SFHVURJKSA-N 1 1 369.509 3.741 40 0 FHABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)Nc1ccc2c(c1)nc(C(C)C)n2C ZINC000019523595 570891186 /nfs/dbraw/zinc/89/11/86/570891186.db2.gz WIUCKFQIWWKACU-CQSZACIVSA-N 1 1 353.470 3.730 40 0 FHABMO CCn1c(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)cnc1SC ZINC000019524182 570891592 /nfs/dbraw/zinc/89/15/92/570891592.db2.gz YUXOGBZWGVUDIA-HNNXBMFYSA-N 1 1 355.511 3.881 40 0 FHABMO CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CC[N@@H+](CC2CC2)C1 ZINC000019529120 570892205 /nfs/dbraw/zinc/89/22/05/570892205.db2.gz QGAVMAKZPRFBQG-HSZRJFAPSA-N 1 1 363.505 3.529 40 0 FHABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)CC1=Cc2ccccc2OC1 ZINC000019527210 570892232 /nfs/dbraw/zinc/89/22/32/570892232.db2.gz AAFPQTYXLAXXPI-QFIPXVFZSA-N 1 1 363.505 3.844 40 0 FHABMO Cc1noc(C)c1C(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@@H+]2C ZINC000019580111 570894528 /nfs/dbraw/zinc/89/45/28/570894528.db2.gz OTFXHKWCBIDYRH-SFHLNBCPSA-N 1 1 367.493 3.774 40 0 FHABMO COc1ccc2c(c1)OCC(C[N@@H+](Cc1ccccn1)C[C@@H]1CCCO1)=C2 ZINC000019663003 570897924 /nfs/dbraw/zinc/89/79/24/570897924.db2.gz AVRDZMPOSUWXBP-NRFANRHFSA-N 1 1 366.461 3.547 40 0 FHABMO COc1ccc2c(c1)OCC(C[N@H+](Cc1ccccn1)C[C@@H]1CCCO1)=C2 ZINC000019663003 570897927 /nfs/dbraw/zinc/89/79/27/570897927.db2.gz AVRDZMPOSUWXBP-NRFANRHFSA-N 1 1 366.461 3.547 40 0 FHABMO C[NH+](C)[C@@H](C(=O)NCc1ccccc1N1CCCC1)c1ccc(Cl)cc1 ZINC000019716702 570899925 /nfs/dbraw/zinc/89/99/25/570899925.db2.gz ZYODGASMWWJPKH-HXUWFJFHSA-N 1 1 371.912 3.859 40 0 FHABMO CC(C)c1[nH+]ccn1CCCNC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000019715622 570899971 /nfs/dbraw/zinc/89/99/71/570899971.db2.gz CWSPOMNGZJJREC-OAHLLOKOSA-N 1 1 372.513 3.966 40 0 FHABMO COc1cccc2cc(C(=O)NCc3ccc(-n4cc[nH+]c4C)cc3)oc21 ZINC000020485946 570918092 /nfs/dbraw/zinc/91/80/92/570918092.db2.gz DLGMSXUNJDNMTA-UHFFFAOYSA-N 1 1 361.401 3.866 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000022511455 570944670 /nfs/dbraw/zinc/94/46/70/570944670.db2.gz MWGYJROXMKZAAF-CQSZACIVSA-N 1 1 369.852 3.918 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(F)c(F)c1 ZINC000225450390 571036232 /nfs/dbraw/zinc/03/62/32/571036232.db2.gz AKNIUWZKECZILR-UHFFFAOYSA-N 1 1 358.417 3.946 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(F)c(F)c2)cc1 ZINC000225457764 571037072 /nfs/dbraw/zinc/03/70/72/571037072.db2.gz KYVAUFYFEAJBNR-UHFFFAOYSA-N 1 1 358.417 3.946 40 0 FHABMO c1cc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)co1 ZINC000306134967 571039062 /nfs/dbraw/zinc/03/90/62/571039062.db2.gz ODAVYHJFNPOGIZ-IBGZPJMESA-N 1 1 359.433 3.764 40 0 FHABMO O=C1c2cccn2[C@H]2C[N@H+](CCc3ccccc3)C[C@@H]2N1Cc1ccccc1 ZINC000306137650 571039991 /nfs/dbraw/zinc/03/99/91/571039991.db2.gz RCKKTKNZQWLFJP-GOTSBHOMSA-N 1 1 371.484 3.612 40 0 FHABMO CC(C)[N@H+]1CC[C@]2(c3ccccc3)CCN(Cc3ccncc3)C(=O)C[C@@H]12 ZINC000306139890 571041443 /nfs/dbraw/zinc/04/14/43/571041443.db2.gz UDMSCPZDEJHFCF-GGAORHGYSA-N 1 1 363.505 3.625 40 0 FHABMO COC1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCC1 ZINC000225626071 571050713 /nfs/dbraw/zinc/05/07/13/571050713.db2.gz NYKUOIMXMUDPAB-HDICACEKSA-N 1 1 374.525 3.941 40 0 FHABMO COC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@H]3C)cc2)CCCC1 ZINC000260812556 571123466 /nfs/dbraw/zinc/12/34/66/571123466.db2.gz GGOGBNIWUPQZMW-QGZVFWFLSA-N 1 1 360.498 3.838 40 0 FHABMO Fc1cccnc1O[C@@H]1CCOC2(C[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC000247512772 571125630 /nfs/dbraw/zinc/12/56/30/571125630.db2.gz IUKJTIBADQFKKL-MRXNPFEDSA-N 1 1 367.424 3.514 40 0 FHABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)s1 ZINC000248106106 571127850 /nfs/dbraw/zinc/12/78/50/571127850.db2.gz PFSNEYAEYKKSAY-QGPMSJSTSA-N 1 1 364.536 3.709 40 0 FHABMO Cc1nc(CO[C@H]2CCOC3(C[NH+](Cc4ccccc4C)C3)C2)cs1 ZINC000248140762 571127888 /nfs/dbraw/zinc/12/78/88/571127888.db2.gz FMEHJMWTWHMPCS-IBGZPJMESA-N 1 1 358.507 3.710 40 0 FHABMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000072238837 571128227 /nfs/dbraw/zinc/12/82/27/571128227.db2.gz OOGFLUIOEMMFGW-KKEHIWFPSA-N 1 1 365.558 3.612 40 0 FHABMO Cc1ccc(Nc2nc([C@@H]3CCC[N@H+](Cc4cnn(C)c4)C3)cs2)nc1 ZINC000257199743 571149046 /nfs/dbraw/zinc/14/90/46/571149046.db2.gz AARCMZVFQIIOCD-MRXNPFEDSA-N 1 1 368.510 3.703 40 0 FHABMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000181813070 571149607 /nfs/dbraw/zinc/14/96/07/571149607.db2.gz UPLPDHQXPWLKSO-ZIAGYGMSSA-N 1 1 360.424 3.733 40 0 FHABMO CC(C)C[N@@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575422270 571149862 /nfs/dbraw/zinc/14/98/62/571149862.db2.gz UKPALTDGINZVAY-HXUWFJFHSA-N 1 1 357.519 3.921 40 0 FHABMO Cc1cccc(Nc2cc([C@H]3CCC[N@H+](Cc4cn(C)cn4)C3)ccn2)n1 ZINC000257222963 571151892 /nfs/dbraw/zinc/15/18/92/571151892.db2.gz DVHMWZFMCSGWSL-SFHVURJKSA-N 1 1 362.481 3.642 40 0 FHABMO Cc1ncsc1C[N@@H+]1CCN(C)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257232499 571152391 /nfs/dbraw/zinc/15/23/91/571152391.db2.gz GLCFYUSOKQDYGX-KRWDZBQOSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1ncsc1CN1CC[N@@H+](C)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257232499 571152393 /nfs/dbraw/zinc/15/23/93/571152393.db2.gz GLCFYUSOKQDYGX-KRWDZBQOSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1ncsc1CN1CC[N@H+](C)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257232499 571152395 /nfs/dbraw/zinc/15/23/95/571152395.db2.gz GLCFYUSOKQDYGX-KRWDZBQOSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1cccc(Nc2cc([C@H]3CCC[N@@H+](Cc4nccn4C)C3)ccn2)n1 ZINC000257242747 571153622 /nfs/dbraw/zinc/15/36/22/571153622.db2.gz IDYQMMNQNFDWOH-SFHVURJKSA-N 1 1 362.481 3.642 40 0 FHABMO Cc1cccc(Nc2cc([C@H]3CCC[N@H+](Cc4nccn4C)C3)ccn2)n1 ZINC000257242747 571153623 /nfs/dbraw/zinc/15/36/23/571153623.db2.gz IDYQMMNQNFDWOH-SFHVURJKSA-N 1 1 362.481 3.642 40 0 FHABMO Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@@H+]2C ZINC000257255804 571154726 /nfs/dbraw/zinc/15/47/26/571154726.db2.gz KIXQUXNZMGKABA-JXFKEZNVSA-N 1 1 370.522 3.602 40 0 FHABMO Cc1nc(C[N@@H+]2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)cs1 ZINC000257260265 571155364 /nfs/dbraw/zinc/15/53/64/571155364.db2.gz LCBOWOBQBYFLCZ-KRWDZBQOSA-N 1 1 353.491 3.691 40 0 FHABMO Cc1nc(C[N@H+]2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)cs1 ZINC000257260265 571155365 /nfs/dbraw/zinc/15/53/65/571155365.db2.gz LCBOWOBQBYFLCZ-KRWDZBQOSA-N 1 1 353.491 3.691 40 0 FHABMO Cc1cccnc1C[N@H+]1CCC[C@H](c2ccnc(Nc3ncccn3)c2)C1 ZINC000257265935 571155920 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0 FHABMO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@@H+](CC3CCOCC3)C2)n1 ZINC000257291061 209989022 /nfs/dbraw/zinc/98/90/22/209989022.db2.gz QFLALJLXQOLARE-SFHVURJKSA-N 1 1 367.497 3.530 40 0 FHABMO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000257252441 223038634 /nfs/dbraw/zinc/03/86/34/223038634.db2.gz JUTYSRSENCJAKD-HNNXBMFYSA-N 1 1 366.494 3.760 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4OC)o3)C2)cc1 ZINC000049169984 209334403 /nfs/dbraw/zinc/33/44/03/209334403.db2.gz SVJWSGHWEUYVCC-INIZCTEOSA-N 1 1 365.433 3.743 40 0 biogenic,in-vitro FHABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000107712392 209278868 /nfs/dbraw/zinc/27/88/68/209278868.db2.gz ZUZCLTRYPZAVFM-UXHICEINSA-N 1 1 358.507 3.731 40 0 FHABMO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[N@@H+](CCCc3ccccc3)[C@@H]2C1 ZINC000107249350 209275171 /nfs/dbraw/zinc/27/51/71/209275171.db2.gz LARNIUFPZLBEBH-TZIWHRDSSA-N 1 1 368.908 3.658 40 0 FHABMO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@H+](Cc4ccsc4)[C@H]3C2)n1 ZINC000096250705 209144424 /nfs/dbraw/zinc/14/44/24/209144424.db2.gz XODIJQKKRQVUFQ-YSIASYRMSA-N 1 1 358.507 3.648 40 0 FHABMO Cc1cccc(COC[C@@H]2C[C@H]3OCC[N@@H+](Cc4ccsc4)[C@H]3C2)n1 ZINC000096250705 209144427 /nfs/dbraw/zinc/14/44/27/209144427.db2.gz XODIJQKKRQVUFQ-YSIASYRMSA-N 1 1 358.507 3.648 40 0 FHABMO Cc1ccc(C(=O)N2CCc3c(C[NH+]4CCCC4)nn(C(C)C)c3C2)cc1 ZINC000096255941 209145570 /nfs/dbraw/zinc/14/55/70/209145570.db2.gz GJGFPZIQWNFRGM-UHFFFAOYSA-N 1 1 366.509 3.567 40 0 FHABMO Cc1cccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)n1 ZINC000096239611 209141986 /nfs/dbraw/zinc/14/19/86/209141986.db2.gz FATVPHHEOZMEKI-IBGZPJMESA-N 1 1 358.436 3.523 40 0 FHABMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)s1 ZINC000096239677 209142328 /nfs/dbraw/zinc/14/23/28/209142328.db2.gz FZSLZHLVQZUCNA-KRWDZBQOSA-N 1 1 364.465 3.584 40 0 FHABMO O=C(Nc1ccccc1)N1CCC[C@]2(CCC[N@H+]2Cc2cccnc2)C1 ZINC000096214625 209135713 /nfs/dbraw/zinc/13/57/13/209135713.db2.gz OSFDRNWAWDBANT-NRFANRHFSA-N 1 1 350.466 3.744 40 0 FHABMO COC[C@@H]1CCC2(CCN(C(=O)c3cc4ccccc4s3)CC2)[N@H+]1C ZINC000096208271 209134994 /nfs/dbraw/zinc/13/49/94/209134994.db2.gz WBYSCFCGFCQILS-INIZCTEOSA-N 1 1 358.507 3.617 40 0 FHABMO Cc1occc1C(=O)N1CCC2(CCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000096158496 209128101 /nfs/dbraw/zinc/12/81/01/209128101.db2.gz NCCXYWQQARJHNX-UHFFFAOYSA-N 1 1 353.466 3.501 40 0 FHABMO C[C@H]1Cc2cc([C@H](O)C[N@@H+](C)Cc3ccccc3)ccc2N1C(=O)C1CC1 ZINC000019497835 220263383 /nfs/dbraw/zinc/26/33/83/220263383.db2.gz DJGIJPOUZSNHIL-KSFYIVLOSA-N 1 1 364.489 3.540 40 0 FHABMO COc1cc2cccnc2c(NC[C@@](C)(O)C[N@H+]2CC[C@@H](C)C[C@H]2C)c1 ZINC000004522428 207024732 /nfs/dbraw/zinc/02/47/32/207024732.db2.gz ASNCKFJWFVCYMZ-WHSLLNHNSA-N 1 1 357.498 3.527 40 0 FHABMO Cc1ccc([C@H](CC(=O)N[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c2ccco2)cc1 ZINC000005616236 207109411 /nfs/dbraw/zinc/10/94/11/207109411.db2.gz ALGBIQNSNSQKKV-HNJRGHQBSA-N 1 1 354.494 3.955 40 0 FHABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCCCC3)n2)cn1 ZINC000035425399 207161472 /nfs/dbraw/zinc/16/14/72/207161472.db2.gz VWXDVNGDMXNWNF-KRWDZBQOSA-N 1 1 372.469 3.626 40 0 biogenic,in-vitro FHABMO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+](Cc4ccc(F)cc4)[C@H]3C2)cc1 ZINC000012188390 207346500 /nfs/dbraw/zinc/34/65/00/207346500.db2.gz FBSGIJTUTJWHNX-NQIIRXRSSA-N 1 1 368.452 3.571 40 0 FHABMO CCOc1ccc(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119121 207340190 /nfs/dbraw/zinc/34/01/90/207340190.db2.gz RCIYSFJSMKMOJC-KRWDZBQOSA-N 1 1 352.434 3.830 40 0 FHABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c(C)c1C ZINC000012135012 207341009 /nfs/dbraw/zinc/34/10/09/207341009.db2.gz QKXHCYCASSYFCZ-TYABSZSSSA-N 1 1 366.505 3.827 40 0 FHABMO Cc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2cccc(F)c2F)C3)nc1 ZINC000012135285 207341296 /nfs/dbraw/zinc/34/12/96/207341296.db2.gz BTMVVBSLBKEEMF-QRTHJKPMSA-N 1 1 358.432 3.788 40 0 FHABMO Cc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2ccc(F)c(F)c2)C3)nc1 ZINC000012135277 207341681 /nfs/dbraw/zinc/34/16/81/207341681.db2.gz JRTPFWMTUQRAGQ-QRTHJKPMSA-N 1 1 358.432 3.788 40 0 FHABMO CC(C)CC(=O)N1C[C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)[C@H]2C1 ZINC000012220124 207349136 /nfs/dbraw/zinc/34/91/36/207349136.db2.gz MOEPTMZKFCVASX-NQIIRXRSSA-N 1 1 351.494 3.704 40 0 FHABMO c1cncc(-c2noc([C@H]3CC[N@H+](Cc4cccc5cccnc54)C3)n2)c1 ZINC000019347293 207665030 /nfs/dbraw/zinc/66/50/30/207665030.db2.gz ULWWSJOIHUAKPE-SFHVURJKSA-N 1 1 357.417 3.669 40 0 FHABMO CC[N@H+]1CC[C@H](CCc2ccc(NC(=O)c3cnccn3)cc2)[C@H](C)C1 ZINC000036734964 208170560 /nfs/dbraw/zinc/17/05/60/208170560.db2.gz HSZPDAJYRIMOHM-AEFFLSMTSA-N 1 1 352.482 3.639 40 0 FHABMO COc1ccc2c(c1)C(=O)CC1(CC[NH+](Cc3ccc(F)cc3)CC1)O2 ZINC000039226869 208207120 /nfs/dbraw/zinc/20/71/20/208207120.db2.gz BMZYPSUOIDCJJT-UHFFFAOYSA-N 1 1 355.409 3.834 40 0 FHABMO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038848868 208207144 /nfs/dbraw/zinc/20/71/44/208207144.db2.gz KASBDJSNBPCSCW-SFHVURJKSA-N 1 1 372.896 3.877 40 0 FHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1 ZINC000044882690 208320458 /nfs/dbraw/zinc/32/04/58/208320458.db2.gz SYMYTJHMCCOINS-UHFFFAOYSA-N 1 1 363.461 3.957 40 0 FHABMO COc1ccccc1CCCNC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044906725 208322459 /nfs/dbraw/zinc/32/24/59/208322459.db2.gz JEVMIHIDCVCXPS-UHFFFAOYSA-N 1 1 363.461 3.611 40 0 FHABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)s1 ZINC000096055299 209105663 /nfs/dbraw/zinc/10/56/63/209105663.db2.gz RPOKHDYDPWYAEF-YZGWKJHDSA-N 1 1 358.507 3.648 40 0 FHABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)s1 ZINC000096055329 209103587 /nfs/dbraw/zinc/10/35/87/209103587.db2.gz PFSNEYAEYKKSAY-UWWQBHOKSA-N 1 1 364.536 3.709 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@]3(C[C@H](Nc4ccc(OC)cc4)CO3)C2)cc1 ZINC000096047628 209099293 /nfs/dbraw/zinc/09/92/93/209099293.db2.gz FTYOTOMNKQDXBK-UGKGYDQZSA-N 1 1 368.477 3.549 40 0 FHABMO COc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4cccc(F)c4)C3)C2)cc1 ZINC000096049081 132217166 /nfs/dbraw/zinc/21/71/66/132217166.db2.gz AMQPBBQEGNNAFV-JOCHJYFZSA-N 1 1 370.468 3.706 40 0 FHABMO COc1ccc(C[N@H+]2CCO[C@]3(CCCN(c4cccc(F)c4)C3)C2)cc1 ZINC000096049081 132217167 /nfs/dbraw/zinc/21/71/67/132217167.db2.gz AMQPBBQEGNNAFV-JOCHJYFZSA-N 1 1 370.468 3.706 40 0 FHABMO CCNc1nc(N2CCc3cc(Br)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329063336 132373138 /nfs/dbraw/zinc/37/31/38/132373138.db2.gz XCVCWROJNMVBLN-UHFFFAOYSA-N 1 1 373.298 3.533 40 0 FHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)Sc1ccc(OC)cc1 ZINC000020457059 523021240 /nfs/dbraw/zinc/02/12/40/523021240.db2.gz SRPCWYIPCBTALJ-SJORKVTESA-N 1 1 364.555 3.947 40 0 FHABMO CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000020111243 523059308 /nfs/dbraw/zinc/05/93/08/523059308.db2.gz IUPSXUZNNZXSMX-HXUWFJFHSA-N 1 1 363.461 3.963 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000020457657 527385321 /nfs/dbraw/zinc/38/53/21/527385321.db2.gz KMJFNHPDYMVRED-CQSZACIVSA-N 1 1 369.852 3.918 40 0 FHABMO CC[C@@H](C)Nc1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329016451 535567522 /nfs/dbraw/zinc/56/75/22/535567522.db2.gz NGQVFXGCRSBZJB-CABCVRRESA-N 1 1 366.509 3.602 40 0 FHABMO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000514288695 560034096 /nfs/dbraw/zinc/03/40/96/560034096.db2.gz UPGXAQKZVPHJPA-ZBFHGGJFSA-N 1 1 370.415 3.659 40 0 biogenic,in-vitro FHABMO CC[C@H](Oc1ccc(F)cc1)C(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000215995599 568099655 /nfs/dbraw/zinc/09/96/55/568099655.db2.gz DVQKKJLAHZBQCH-HKUYNNGSSA-N 1 1 350.478 3.754 40 0 FHABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Br)c1OCC ZINC000022076033 568204122 /nfs/dbraw/zinc/20/41/22/568204122.db2.gz SGQQPMDVVPLMIW-UHFFFAOYSA-N 1 1 373.335 3.678 40 0 FHABMO CC(=O)N1CCCC[C@H]2C[N@@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC[C@H]21 ZINC000585285419 570494233 /nfs/dbraw/zinc/49/42/33/570494233.db2.gz YLMZMAKVZPFXEM-ITTUMRLJSA-N 1 1 364.574 3.677 40 0 FHABMO [NH3+][C@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000072227308 570535778 /nfs/dbraw/zinc/53/57/78/570535778.db2.gz GPKMRNYMPWWSLH-ZIAGYGMSSA-N 1 1 351.631 3.518 40 0 FHABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000072227937 570535844 /nfs/dbraw/zinc/53/58/44/570535844.db2.gz REVINFKQSPRNON-CABCVRRESA-N 1 1 370.758 3.783 40 0 FHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000260408990 570624907 /nfs/dbraw/zinc/62/49/07/570624907.db2.gz YGDPWPHHMVDSEE-RDJZCZTQSA-N 1 1 352.906 3.878 40 0 FHABMO COc1cc2c(cc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)OCO2 ZINC000012186949 570724912 /nfs/dbraw/zinc/72/49/12/570724912.db2.gz MNJHRGJSCQTOPH-SFHVURJKSA-N 1 1 355.434 3.605 40 0 FHABMO COc1cc2c(cc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)OCO2 ZINC000012186949 570724915 /nfs/dbraw/zinc/72/49/15/570724915.db2.gz MNJHRGJSCQTOPH-SFHVURJKSA-N 1 1 355.434 3.605 40 0 FHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1Br ZINC000013669585 570783418 /nfs/dbraw/zinc/78/34/18/570783418.db2.gz WTLLDWUZGRRFHM-AWEZNQCLSA-N 1 1 353.304 3.834 40 0 FHABMO C[C@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013709129 570785670 /nfs/dbraw/zinc/78/56/70/570785670.db2.gz CCUXJNKNFINVOS-IBGZPJMESA-N 1 1 374.484 3.952 40 0 FHABMO COc1ccc(C[N@H+](Cc2ccc3ncccc3c2)C[C@@H](C)O)cc1OC ZINC000013991761 570800893 /nfs/dbraw/zinc/80/08/93/570800893.db2.gz FVULGZYTNNQZRB-MRXNPFEDSA-N 1 1 366.461 3.635 40 0 FHABMO Cc1cc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(C)c1Cl ZINC000014831553 570824442 /nfs/dbraw/zinc/82/44/42/570824442.db2.gz KEAANWANHJHKPK-UHFFFAOYSA-N 1 1 372.896 3.680 40 0 FHABMO COc1cccc([C@H]2CN(C(=O)C(C)(C)C)[C@@H]3CC[N@@H+](CC4CC4)C[C@@H]32)c1 ZINC000019081605 570880008 /nfs/dbraw/zinc/88/00/08/570880008.db2.gz IAEVPPVYYSQBDL-NJDAHSKKSA-N 1 1 370.537 3.768 40 0 FHABMO CC(=O)N1C[C@H](c2cccc(C)c2)[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000019235244 570882896 /nfs/dbraw/zinc/88/28/96/570882896.db2.gz PNZLSDRPTIDXQR-NJDAHSKKSA-N 1 1 354.519 3.893 40 0 FHABMO COc1c(C)cccc1C[N@@H+]1CCc2nc([C@H]3CCCCN3C)ncc2C1 ZINC000019236000 570883511 /nfs/dbraw/zinc/88/35/11/570883511.db2.gz NWHOCCVNLVZFHN-HXUWFJFHSA-N 1 1 366.509 3.509 40 0 FHABMO COc1c(C)cccc1C[N@H+]1CCc2nc([C@H]3CCCCN3C)ncc2C1 ZINC000019236000 570883512 /nfs/dbraw/zinc/88/35/12/570883512.db2.gz NWHOCCVNLVZFHN-HXUWFJFHSA-N 1 1 366.509 3.509 40 0 FHABMO Cc1[nH+]ccn1CC1(O)CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019287966 570884827 /nfs/dbraw/zinc/88/48/27/570884827.db2.gz ZIASHCAMWMZEDH-UHFFFAOYSA-N 1 1 354.281 3.525 40 0 FHABMO O=c1cc([C@H]2CCCC[N@H+]2Cc2cccc(F)c2)nc(-c2ccncc2)[nH]1 ZINC000019293849 570885059 /nfs/dbraw/zinc/88/50/59/570885059.db2.gz CEIDXQZAGKXONY-LJQANCHMSA-N 1 1 364.424 3.698 40 0 FHABMO O=c1cc([C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)nc(-c2ccncc2)[nH]1 ZINC000019293849 570885060 /nfs/dbraw/zinc/88/50/60/570885060.db2.gz CEIDXQZAGKXONY-LJQANCHMSA-N 1 1 364.424 3.698 40 0 FHABMO O[C@@H](C[NH+]1CCN(c2ccccc2Cl)CC1)c1c[nH]c2ccc(F)cc21 ZINC000019349900 570886760 /nfs/dbraw/zinc/88/67/60/570886760.db2.gz DWNZBMSYEMWSOO-FQEVSTJZSA-N 1 1 373.859 3.816 40 0 FHABMO c1ccc2c(C[N@H+]3CC[C@@H](c4nc(-c5cccnc5)no4)C3)ccnc2c1 ZINC000019376058 570888499 /nfs/dbraw/zinc/88/84/99/570888499.db2.gz LXQANRQSOKTLIM-QGZVFWFLSA-N 1 1 357.417 3.669 40 0 FHABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCCCC[C@@H]1c1ccn(C)n1 ZINC000019456851 570889707 /nfs/dbraw/zinc/88/97/07/570889707.db2.gz CUCHGCHVFURNDD-VQIMIIECSA-N 1 1 355.482 3.945 40 0 FHABMO CCc1sc(NC(=O)CCn2cc[nH+]c2C)nc1-c1ccc(OC)cc1 ZINC000019521613 570891224 /nfs/dbraw/zinc/89/12/24/570891224.db2.gz ZDWVPENNHBXBPE-UHFFFAOYSA-N 1 1 370.478 3.915 40 0 FHABMO C[N@H+](Cc1c2cccnc2[nH]c1C1CCOCC1)C[C@H](O)c1ccccc1 ZINC000019586378 570894987 /nfs/dbraw/zinc/89/49/87/570894987.db2.gz LRLVZVRISXACIY-FQEVSTJZSA-N 1 1 365.477 3.622 40 0 FHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000019687296 570898492 /nfs/dbraw/zinc/89/84/92/570898492.db2.gz XIXLQAHMGHFNLG-NRFANRHFSA-N 1 1 365.521 3.720 40 0 FHABMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2cnc(N3CCOCC3)s2)c1 ZINC000019715691 570899805 /nfs/dbraw/zinc/89/98/05/570899805.db2.gz MPJDCGZFGLEPII-IBGZPJMESA-N 1 1 357.523 3.934 40 0 FHABMO CC(C)c1[nH+]ccn1CCCNC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000019715623 570899977 /nfs/dbraw/zinc/89/99/77/570899977.db2.gz CWSPOMNGZJJREC-HNNXBMFYSA-N 1 1 372.513 3.966 40 0 FHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOCc3ccccc3)cc2)C1 ZINC000224333961 570985209 /nfs/dbraw/zinc/98/52/09/570985209.db2.gz YEIVDJANXKQOOT-LJQANCHMSA-N 1 1 366.505 3.865 40 0 FHABMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221022 571027806 /nfs/dbraw/zinc/02/78/06/571027806.db2.gz JYQFBHCQLHCHJR-IBGZPJMESA-N 1 1 356.897 3.911 40 0 FHABMO COCCn1ccnc1[C@@H]1C[N@@H+](Cc2cccc(F)c2)Cc2ccccc21 ZINC000306137566 571039928 /nfs/dbraw/zinc/03/99/28/571039928.db2.gz QZZHRJLEPFRTOR-OAQYLSRUSA-N 1 1 365.452 3.816 40 0 FHABMO c1coc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306141096 571041867 /nfs/dbraw/zinc/04/18/67/571041867.db2.gz VLFKGJMKHYVNHZ-GOSISDBHSA-N 1 1 359.433 3.764 40 0 FHABMO COC1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@H](C)C3)cc2)CCCC1 ZINC000260812485 571123448 /nfs/dbraw/zinc/12/34/48/571123448.db2.gz CTSZYFRDWITRSD-KRWDZBQOSA-N 1 1 360.498 3.695 40 0 FHABMO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260818200 571123888 /nfs/dbraw/zinc/12/38/88/571123888.db2.gz XQWNQTBWYQCCGV-LAUBAEHRSA-N 1 1 362.514 3.941 40 0 FHABMO Cc1ncc(C(=O)N2[C@@H](c3ccccc3)C[C@H]3[C@H]2CCCC[N@@H+]3C)c(C)n1 ZINC000257211327 571150682 /nfs/dbraw/zinc/15/06/82/571150682.db2.gz BYMKVPXKZCYOON-NJYVYQBISA-N 1 1 364.493 3.534 40 0 FHABMO C[N@H+]1CCCC[C@@H]2N(C(=O)c3cc(-c4ccccc4F)n[nH]3)CCC[C@@]21C ZINC000257217866 571151264 /nfs/dbraw/zinc/15/12/64/571151264.db2.gz DAXWULTZTBKTNQ-FPOVZHCZSA-N 1 1 370.472 3.695 40 0 FHABMO C[N@@H+]1CCCC[C@@H]2N(C(=O)c3cc(-c4ccccc4F)[nH]n3)CCC[C@@]21C ZINC000257217866 571151265 /nfs/dbraw/zinc/15/12/65/571151265.db2.gz DAXWULTZTBKTNQ-FPOVZHCZSA-N 1 1 370.472 3.695 40 0 FHABMO C[N@H+]1CCCC[C@@H]2N(C(=O)c3cc(-c4ccccc4F)[nH]n3)CCC[C@@]21C ZINC000257217866 571151266 /nfs/dbraw/zinc/15/12/66/571151266.db2.gz DAXWULTZTBKTNQ-FPOVZHCZSA-N 1 1 370.472 3.695 40 0 FHABMO Fc1ccc(OCc2cc([C@H]3CC[N@@H+](Cc4ccccn4)C3)n[nH]2)cc1 ZINC000257228302 571152105 /nfs/dbraw/zinc/15/21/05/571152105.db2.gz FTIJUPAGJYQFJM-HNNXBMFYSA-N 1 1 352.413 3.512 40 0 FHABMO Fc1ccc(OCc2cc([C@H]3CC[N@H+](Cc4ccccn4)C3)[nH]n2)cc1 ZINC000257228302 571152107 /nfs/dbraw/zinc/15/21/07/571152107.db2.gz FTIJUPAGJYQFJM-HNNXBMFYSA-N 1 1 352.413 3.512 40 0 FHABMO Fc1ccc(OCc2cc([C@H]3CC[N@@H+](Cc4ccccn4)C3)[nH]n2)cc1 ZINC000257228302 571152109 /nfs/dbraw/zinc/15/21/09/571152109.db2.gz FTIJUPAGJYQFJM-HNNXBMFYSA-N 1 1 352.413 3.512 40 0 FHABMO Cc1ncsc1C[N@@H+]1CCCC[C@H]1c1cc(-c2ncc[nH]2)nc(C)n1 ZINC000257238514 571153070 /nfs/dbraw/zinc/15/30/70/571153070.db2.gz HLJJBBJQRPIITM-INIZCTEOSA-N 1 1 354.483 3.667 40 0 FHABMO Cc1ncsc1C[N@H+]1CCCC[C@H]1c1cc(-c2ncc[nH]2)nc(C)n1 ZINC000257238514 571153072 /nfs/dbraw/zinc/15/30/72/571153072.db2.gz HLJJBBJQRPIITM-INIZCTEOSA-N 1 1 354.483 3.667 40 0 FHABMO Cc1cccc(C[N@H+]2[C@H](c3ccccc3F)C[C@H]3NC(=O)CCCC[C@@H]32)n1 ZINC000257242043 571153573 /nfs/dbraw/zinc/15/35/73/571153573.db2.gz IAVFEJULHDBXAZ-HKBOAZHASA-N 1 1 367.468 3.904 40 0 FHABMO Cc1cccc(C[N@@H+]2[C@H](c3ccccc3F)C[C@H]3NC(=O)CCCC[C@@H]32)n1 ZINC000257242043 571153574 /nfs/dbraw/zinc/15/35/74/571153574.db2.gz IAVFEJULHDBXAZ-HKBOAZHASA-N 1 1 367.468 3.904 40 0 FHABMO c1ncc(C[N@@H+]2CCC[C@@H](Cc3cc(Nc4ccccn4)ncn3)C2)s1 ZINC000257259304 571155343 /nfs/dbraw/zinc/15/53/43/571155343.db2.gz KXSODSRWSDKXFP-HNNXBMFYSA-N 1 1 366.494 3.526 40 0 FHABMO CC1(C)Oc2ccccc2[C@H]2OCC3(C[NH+](Cc4cccnc4)C3)C[C@@H]21 ZINC000257263777 571155642 /nfs/dbraw/zinc/15/56/42/571155642.db2.gz LRJSHOFMKMEVOQ-AZUAARDMSA-N 1 1 350.462 3.832 40 0 FHABMO Cc1nc(C[N@H+]2[C@H](c3ccccc3)C[C@H]3NC(=O)CCCC[C@@H]32)cs1 ZINC000257262272 571155722 /nfs/dbraw/zinc/15/57/22/571155722.db2.gz LKTVBIXDARXCRX-QYZOEREBSA-N 1 1 355.507 3.826 40 0 FHABMO Cc1nc(C[N@@H+]2[C@H](c3ccccc3)C[C@H]3NC(=O)CCCC[C@@H]32)cs1 ZINC000257262272 571155723 /nfs/dbraw/zinc/15/57/23/571155723.db2.gz LKTVBIXDARXCRX-QYZOEREBSA-N 1 1 355.507 3.826 40 0 FHABMO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3nccs3)CC2)nc(C)n1 ZINC000257303715 571159809 /nfs/dbraw/zinc/15/98/09/571159809.db2.gz SIKRSXXWWYBYRU-UHFFFAOYSA-N 1 1 369.494 3.893 40 0 FHABMO CCc1nccn1-c1cc[nH+]c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000257302825 571159833 /nfs/dbraw/zinc/15/98/33/571159833.db2.gz SEQJYHHNCFODLO-OAHLLOKOSA-N 1 1 356.470 3.944 40 0 FHABMO CC(C)C[N@H+]1CCC[C@@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330471 571178678 /nfs/dbraw/zinc/17/86/78/571178678.db2.gz ZRRGUCMWVIAMDN-OFNKIYASSA-N 1 1 365.521 3.850 40 0 FHABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072349532 571181122 /nfs/dbraw/zinc/18/11/22/571181122.db2.gz PMOJHVBQRVNGJQ-QGZVFWFLSA-N 1 1 371.912 3.593 40 0 FHABMO COc1ccccc1-c1cccc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000072349957 571181381 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Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072345971 570538176 /nfs/dbraw/zinc/53/81/76/570538176.db2.gz JPHDDEAOKQYZHE-MRXNPFEDSA-N 1 1 363.440 3.640 40 0 FHABMO CSc1ccccc1C(=O)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408612300 570581256 /nfs/dbraw/zinc/58/12/56/570581256.db2.gz VHFKSWSAXNBYQM-SFHVURJKSA-N 1 1 352.503 3.681 40 0 FHABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(O)cc2)CC1 ZINC000257310252 570627133 /nfs/dbraw/zinc/62/71/33/570627133.db2.gz UEJNXLLIIRBETP-NRFANRHFSA-N 1 1 359.441 3.981 40 0 FHABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(Br)cc1 ZINC000004886665 570672739 /nfs/dbraw/zinc/67/27/39/570672739.db2.gz QMICLPQCRGCPHT-ZXFUBFMLSA-N 1 1 363.299 3.727 40 0 FHABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)NC1CCCCC1 ZINC000004966458 570675519 /nfs/dbraw/zinc/67/55/19/570675519.db2.gz IVSBQDRFKPPMCF-UHFFFAOYSA-N 1 1 357.523 3.925 40 0 FHABMO COc1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc2c1OCO2 ZINC000013993345 570840671 /nfs/dbraw/zinc/84/06/71/570840671.db2.gz WYEGNDCKPGASIA-GOSISDBHSA-N 1 1 355.434 3.605 40 0 FHABMO CCN(C(C)=O)[C@H]1C[N@@H+](Cc2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000019703997 570857442 /nfs/dbraw/zinc/85/74/42/570857442.db2.gz RVAFIYLMJSLNQF-OAQYLSRUSA-N 1 1 371.525 3.791 40 0 FHABMO CCN(C(C)=O)[C@@H]1C[N@@H+](Cc2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000019703996 570857476 /nfs/dbraw/zinc/85/74/76/570857476.db2.gz RVAFIYLMJSLNQF-NRFANRHFSA-N 1 1 371.525 3.791 40 0 FHABMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 ZINC000019014342 570879572 /nfs/dbraw/zinc/87/95/72/570879572.db2.gz XKBHAUROYYDXAC-XEYRCQSKSA-N 1 1 372.472 3.725 40 0 FHABMO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3CC(C)(C)CN2CCCC2)cc1 ZINC000019084901 570880456 /nfs/dbraw/zinc/88/04/56/570880456.db2.gz DJTYLKLGKCPIDX-DETIRCLXSA-N 1 1 372.553 3.632 40 0 FHABMO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)(C)CN2CCCC2)cc1 ZINC000019084901 570880459 /nfs/dbraw/zinc/88/04/59/570880459.db2.gz DJTYLKLGKCPIDX-DETIRCLXSA-N 1 1 372.553 3.632 40 0 FHABMO COc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1ccc(C)cn1 ZINC000019215726 570881972 /nfs/dbraw/zinc/88/19/72/570881972.db2.gz NPDXQYGWODGFKQ-QIDMFYOTSA-N 1 1 352.478 3.518 40 0 FHABMO COc1c(C)cccc1CN1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019235986 570883051 /nfs/dbraw/zinc/88/30/51/570883051.db2.gz PLHKEGCMEHVSMV-FQEVSTJZSA-N 1 1 366.509 3.509 40 0 FHABMO Cc1[nH+]ccn1CCCC(=O)N[C@H](Cc1ccsc1)c1nccs1 ZINC000019288113 570884762 /nfs/dbraw/zinc/88/47/62/570884762.db2.gz NTIDZUDBTIOQAI-OAHLLOKOSA-N 1 1 360.508 3.590 40 0 FHABMO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)no1 ZINC000019339080 570886134 /nfs/dbraw/zinc/88/61/34/570886134.db2.gz ZOXCYARNKYOZTC-QGZVFWFLSA-N 1 1 368.481 3.512 40 0 FHABMO Nc1cc([C@H]2CCC[N@@H+](Cc3ccoc3)C2)nc2cc(-c3ccco3)nn21 ZINC000019342517 570886264 /nfs/dbraw/zinc/88/62/64/570886264.db2.gz IGPXCJSCCTVIAO-HNNXBMFYSA-N 1 1 363.421 3.544 40 0 FHABMO O=c1cc([C@H]2CCCC[N@H+]2Cc2ccccc2F)nc(-c2ccncc2)[nH]1 ZINC000019349098 570886569 /nfs/dbraw/zinc/88/65/69/570886569.db2.gz UCXFAYZYHZYCSL-LJQANCHMSA-N 1 1 364.424 3.698 40 0 FHABMO O=c1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2F)nc(-c2ccncc2)[nH]1 ZINC000019349098 570886574 /nfs/dbraw/zinc/88/65/74/570886574.db2.gz UCXFAYZYHZYCSL-LJQANCHMSA-N 1 1 364.424 3.698 40 0 FHABMO O=C(c1ccccc1)N1C[C@@H]2CCCC[N@H+](CCc3ccc(F)cc3)[C@@H]2C1 ZINC000019368952 570887984 /nfs/dbraw/zinc/88/79/84/570887984.db2.gz HZJWSSRYGCXADY-RBBKRZOGSA-N 1 1 366.480 3.995 40 0 FHABMO O=C1NC[C@]2(CCC[N@@H+](Cc3ccc(Cl)s3)C2)Oc2ccccc21 ZINC000019374804 570888013 /nfs/dbraw/zinc/88/80/13/570888013.db2.gz WPDYQFVYZGXDIE-SFHVURJKSA-N 1 1 362.882 3.559 40 0 FHABMO O=C1NC[C@]2(CCC[N@H+](Cc3ccc(Cl)s3)C2)Oc2ccccc21 ZINC000019374804 570888014 /nfs/dbraw/zinc/88/80/14/570888014.db2.gz WPDYQFVYZGXDIE-SFHVURJKSA-N 1 1 362.882 3.559 40 0 FHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)CC1=Cc2ccccc2OC1 ZINC000019527209 570892181 /nfs/dbraw/zinc/89/21/81/570892181.db2.gz AAFPQTYXLAXXPI-JOCHJYFZSA-N 1 1 363.505 3.844 40 0 FHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cc(OC)cc(OC)c1 ZINC000019527213 570892201 /nfs/dbraw/zinc/89/22/01/570892201.db2.gz APBQJIKDUCKRJY-HXUWFJFHSA-N 1 1 369.509 3.585 40 0 FHABMO C[N@H+](Cc1c2cccnc2[nH]c1C1CCOCC1)C[C@@H](O)c1ccccc1 ZINC000019586376 570895005 /nfs/dbraw/zinc/89/50/05/570895005.db2.gz LRLVZVRISXACIY-HXUWFJFHSA-N 1 1 365.477 3.622 40 0 FHABMO C[N@H+]1CCc2nc([C@@H]3CCCCN3Cc3ccc(Cl)c(F)c3)ncc2C1 ZINC000019590326 570895761 /nfs/dbraw/zinc/89/57/61/570895761.db2.gz BOMQWZNWDMCQGK-IBGZPJMESA-N 1 1 374.891 3.984 40 0 FHABMO COc1cccc([C@@H]2CCC[N@H+]2Cc2sc(N3CCOCC3)nc2C)c1 ZINC000019715762 570899909 /nfs/dbraw/zinc/89/99/09/570899909.db2.gz DGPKSPGLGILZIY-SFHVURJKSA-N 1 1 373.522 3.634 40 0 FHABMO Cc1cc(C)n(CCC[N@H+](C)Cc2c(C)nn(-c3ccc(F)cc3)c2C)n1 ZINC000019719802 570900922 /nfs/dbraw/zinc/90/09/22/570900922.db2.gz IEBQMQAJIQJSDY-UHFFFAOYSA-N 1 1 369.488 3.964 40 0 FHABMO Cc1nc([C@@H]2CCCC[N@@H+]2C2CCCC2)nc2c1CCC(=O)N2CC1CC1 ZINC000019740921 570901820 /nfs/dbraw/zinc/90/18/20/570901820.db2.gz NYUAXFRXGAZFID-IBGZPJMESA-N 1 1 368.525 3.944 40 0 FHABMO Cc1nc([C@@H]2CCCC[N@H+]2C2CCCC2)nc2c1CCC(=O)N2CC1CC1 ZINC000019740921 570901821 /nfs/dbraw/zinc/90/18/21/570901821.db2.gz NYUAXFRXGAZFID-IBGZPJMESA-N 1 1 368.525 3.944 40 0 FHABMO Cc1nc([C@H]2CCCC[N@H+]2C2CCCC2)ncc1C(=O)N1CCCCC1 ZINC000019765731 570902120 /nfs/dbraw/zinc/90/21/20/570902120.db2.gz ZPMICKCDXHATML-LJQANCHMSA-N 1 1 356.514 3.881 40 0 FHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C1 ZINC000020107105 570910297 /nfs/dbraw/zinc/91/02/97/570910297.db2.gz YXVUYVIQKGZSLJ-MRXNPFEDSA-N 1 1 363.461 3.517 40 0 FHABMO CCCSc1nnc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)s1 ZINC000225301021 571027002 /nfs/dbraw/zinc/02/70/02/571027002.db2.gz AOIBATAWJITSES-UHFFFAOYSA-N 1 1 373.507 3.846 40 0 FHABMO COc1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000225456399 571036967 /nfs/dbraw/zinc/03/69/67/571036967.db2.gz FVOKLJBJHNDTKL-UHFFFAOYSA-N 1 1 352.463 3.676 40 0 FHABMO COc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000225456444 571037088 /nfs/dbraw/zinc/03/70/88/571037088.db2.gz JEPNAYYYSYIBCR-UHFFFAOYSA-N 1 1 352.463 3.676 40 0 FHABMO Fc1ccc(C[N@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)cc1 ZINC000306139170 571040892 /nfs/dbraw/zinc/04/08/92/571040892.db2.gz SRGIBSMHBJCYNV-QHCPKHFHSA-N 1 1 374.463 3.780 40 0 FHABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](CC5CC5)C4)nn3c2)c1 ZINC000306140581 571041355 /nfs/dbraw/zinc/04/13/55/571041355.db2.gz UXSNCMPMHXROKW-IBGZPJMESA-N 1 1 362.477 3.994 40 0 FHABMO COCCn1ccnc1[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccccc21 ZINC000306142719 571042478 /nfs/dbraw/zinc/04/24/78/571042478.db2.gz XHJAEQKUVRQRFY-IBGZPJMESA-N 1 1 353.491 3.739 40 0 FHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(OC)cc1OC ZINC000225581090 571047013 /nfs/dbraw/zinc/04/70/13/571047013.db2.gz HOZSYFKUMMUUPV-HNNXBMFYSA-N 1 1 365.543 3.645 40 0 FHABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2cccc(Br)c2)C1 ZINC000225735579 571060360 /nfs/dbraw/zinc/06/03/60/571060360.db2.gz LUQZEPJJLKQWLS-CYBMUJFWSA-N 1 1 370.360 3.858 40 0 FHABMO COc1ccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)c2cccnc12 ZINC000225738389 571060798 /nfs/dbraw/zinc/06/07/98/571060798.db2.gz MBLWRSNXZLZLAX-OAHLLOKOSA-N 1 1 372.538 3.652 40 0 FHABMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)C1 ZINC000036741246 571081407 /nfs/dbraw/zinc/08/14/07/571081407.db2.gz ZPEYWJQWUCUFET-UZLBHIALSA-N 1 1 358.526 3.777 40 0 FHABMO CO[C@@](C)(C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260812609 571123328 /nfs/dbraw/zinc/12/33/28/571123328.db2.gz HPNWLUCIFZUJJA-IIBYNOLFSA-N 1 1 360.498 3.693 40 0 FHABMO CCOc1ccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OCC ZINC000059018161 571134049 /nfs/dbraw/zinc/13/40/49/571134049.db2.gz PXMODOBJRDSWGB-CALCHBBNSA-N 1 1 362.514 3.582 40 0 FHABMO Cc1noc(C)c1CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCC[N@@H+]2C ZINC000257202374 571149491 /nfs/dbraw/zinc/14/94/91/571149491.db2.gz ALMFJUCMGIBZFJ-PCCBWWKXSA-N 1 1 367.493 3.660 40 0 FHABMO C[N@H+]1CCCCC[C@@H]2N(C(=O)c3ccno3)[C@H](c3ccccc3)C[C@@]21C ZINC000257208460 571150160 /nfs/dbraw/zinc/15/01/60/571150160.db2.gz BMFWANLWYSOJEZ-CUWPLCDZSA-N 1 1 353.466 3.895 40 0 FHABMO CN1C(=O)CCCC[C@@H]2[C@@H]1CC[N@H+]2CCOc1cccc(C(F)(F)F)c1 ZINC000257272273 571156636 /nfs/dbraw/zinc/15/66/36/571156636.db2.gz NBSMYMIFMNMSNQ-DLBZAZTESA-N 1 1 370.415 3.560 40 0 FHABMO Cc1n[nH]cc1C[N@@H+]1CCCC[C@H]1c1cc(Nc2ccccn2)nc(C)n1 ZINC000257326735 571162295 /nfs/dbraw/zinc/16/22/95/571162295.db2.gz WYJWMXUIWWUUTO-SFHVURJKSA-N 1 1 363.469 3.682 40 0 FHABMO Cc1n[nH]cc1C[N@H+]1CCCC[C@H]1c1cc(Nc2ccccn2)nc(C)n1 ZINC000257326735 571162296 /nfs/dbraw/zinc/16/22/96/571162296.db2.gz WYJWMXUIWWUUTO-SFHVURJKSA-N 1 1 363.469 3.682 40 0 FHABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)C1CC1 ZINC000072337767 571179286 /nfs/dbraw/zinc/17/92/86/571179286.db2.gz BESPTAZEFHQBGC-AEFFLSMTSA-N 1 1 373.497 3.762 40 0 FHABMO COc1ccccc1-c1cccc([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000072349956 571181491 /nfs/dbraw/zinc/18/14/91/571181491.db2.gz RAPOQJPYAXNCIZ-SFHVURJKSA-N 1 1 362.477 3.870 40 0 FHABMO Cc1nc(-c2cncnc2[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)no1 ZINC000072356142 571182755 /nfs/dbraw/zinc/18/27/55/571182755.db2.gz TXPWXSDWKRSUOV-SFHVURJKSA-N 1 1 363.465 3.647 40 0 FHABMO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)cn1 ZINC000072358127 571183229 /nfs/dbraw/zinc/18/32/29/571183229.db2.gz PGTGUYPLEWASDS-NRFANRHFSA-N 1 1 350.441 3.882 40 0 FHABMO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072357960 571183253 /nfs/dbraw/zinc/18/32/53/571183253.db2.gz KWGBVLZXDIUQFU-LJQANCHMSA-N 1 1 357.885 3.551 40 0 FHABMO CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072357960 571183255 /nfs/dbraw/zinc/18/32/55/571183255.db2.gz KWGBVLZXDIUQFU-LJQANCHMSA-N 1 1 357.885 3.551 40 0 FHABMO Cn1cncc1C[N@@H+]1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1 ZINC000072363161 571184609 /nfs/dbraw/zinc/18/46/09/571184609.db2.gz DGLWNRKGSVBOTC-HNNXBMFYSA-N 1 1 367.428 3.521 40 0 FHABMO Cn1cncc1C[N@H+]1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1 ZINC000072363161 571184612 /nfs/dbraw/zinc/18/46/12/571184612.db2.gz DGLWNRKGSVBOTC-HNNXBMFYSA-N 1 1 367.428 3.521 40 0 FHABMO Cn1nccc1C[N@@H+]1CCC[C@@H](c2cncc(Oc3ccccc3F)n2)C1 ZINC000072362827 571184775 /nfs/dbraw/zinc/18/47/75/571184775.db2.gz CAFAGNOSRRAUEE-OAHLLOKOSA-N 1 1 367.428 3.521 40 0 FHABMO Cn1nccc1C[N@H+]1CCC[C@@H](c2cncc(Oc3ccccc3F)n2)C1 ZINC000072362827 571184777 /nfs/dbraw/zinc/18/47/77/571184777.db2.gz CAFAGNOSRRAUEE-OAHLLOKOSA-N 1 1 367.428 3.521 40 0 FHABMO COc1ccc(-c2noc([C@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000072369916 571184947 /nfs/dbraw/zinc/18/49/47/571184947.db2.gz LSRUHKGFXWUREN-INIZCTEOSA-N 1 1 353.397 3.874 40 0 FHABMO COc1cccc(-c2noc([C@@H]3CC[N@@H+](Cc4cccc(F)c4)C3)n2)c1 ZINC000072369887 571185050 /nfs/dbraw/zinc/18/50/50/571185050.db2.gz HQKBNNHDHRUKNB-MRXNPFEDSA-N 1 1 353.397 3.874 40 0 FHABMO Cc1cccnc1Nc1nccc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072377635 571186424 /nfs/dbraw/zinc/18/64/24/571186424.db2.gz AGMKHWWJXPODCX-SFHVURJKSA-N 1 1 360.465 3.698 40 0 FHABMO Fc1ccc(OCC[N@H+]2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378804 571187420 /nfs/dbraw/zinc/18/74/20/571187420.db2.gz RCMFNLKINOSOFM-QGZVFWFLSA-N 1 1 366.440 3.665 40 0 FHABMO O=C(NC1CCCC1)c1cc([C@@H]2CCCC[N@H+]2CCc2ccccc2)n[nH]1 ZINC000072380537 571188099 /nfs/dbraw/zinc/18/80/99/571188099.db2.gz QZXBZTLECWIKNS-NRFANRHFSA-N 1 1 366.509 3.852 40 0 FHABMO c1ccc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)nc1 ZINC000306123768 571213163 /nfs/dbraw/zinc/21/31/63/571213163.db2.gz AWCTZOZQLCDNJN-LJQANCHMSA-N 1 1 370.460 3.566 40 0 FHABMO Fc1ccc(C[N@@H+]2C[C@@H]3c4nc(NCc5ccccc5)ncc4C[C@@H]3C2)cc1 ZINC000306133501 571214216 /nfs/dbraw/zinc/21/42/16/571214216.db2.gz MNHVZYJNBPGKFF-CTNGQTDRSA-N 1 1 374.463 4.000 40 0 FHABMO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCCN2C(=O)c2ccoc2)CC1 ZINC000585100248 571221421 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FHABMO Cc1cccc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H](C)C4)C3)CC2)c1 ZINC000585103149 571223543 /nfs/dbraw/zinc/22/35/43/571223543.db2.gz DOKSTYXWDQIQNN-FPOVZHCZSA-N 1 1 370.537 3.738 40 0 FHABMO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@@H](C)C4)C3)CC2)cc1 ZINC000585104804 571224126 /nfs/dbraw/zinc/22/41/26/571224126.db2.gz SXELTGKCEFUTEE-CTNGQTDRSA-N 1 1 370.537 3.738 40 0 FHABMO C[C@@H]1C[C@H](C)CN(C(=O)c2nc3c(o2)CC[N@H+](CC2CCCCC2)C3)C1 ZINC000585112728 571226264 /nfs/dbraw/zinc/22/62/64/571226264.db2.gz UMNZHQDPLBNDIR-IYBDPMFKSA-N 1 1 359.514 3.731 40 0 FHABMO C[C@@H]1C[C@H](C)CN(C(=O)c2nc3c(o2)CC[N@@H+](CC2CCCCC2)C3)C1 ZINC000585112728 571226266 /nfs/dbraw/zinc/22/62/66/571226266.db2.gz UMNZHQDPLBNDIR-IYBDPMFKSA-N 1 1 359.514 3.731 40 0 FHABMO c1c[nH]c(-c2cncc(C[C@H]3CCC[N@@H+](Cc4c[nH]c5ccccc45)C3)n2)n1 ZINC000585182447 571238086 /nfs/dbraw/zinc/23/80/86/571238086.db2.gz WARWJRDEWUNOFR-MRXNPFEDSA-N 1 1 372.476 3.803 40 0 FHABMO 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FHABMO CC(=O)[C@H]1[C@@H]([NH+]2CC2)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118917651 209348374 /nfs/dbraw/zinc/34/83/74/209348374.db2.gz YKAAPHAUSMBTTG-RHCGTSLQSA-N 1 1 357.538 3.809 40 0 FHABMO Cc1cccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)n1 ZINC000096239567 209141599 /nfs/dbraw/zinc/14/15/99/209141599.db2.gz UHLYBTAAYWKNNY-IBGZPJMESA-N 1 1 358.436 3.523 40 0 FHABMO COc1cccc(-c2cccc3c([C@H]4C[N@H+](CC5CC5)CCO4)ncn32)c1 ZINC000096155873 209125590 /nfs/dbraw/zinc/12/55/90/209125590.db2.gz WAPVAEHEDLGCJP-OAQYLSRUSA-N 1 1 363.461 3.793 40 0 FHABMO COc1cccc(-c2cccc3c([C@H]4C[N@@H+](CC5CC5)CCO4)ncn32)c1 ZINC000096155873 209125593 /nfs/dbraw/zinc/12/55/93/209125593.db2.gz WAPVAEHEDLGCJP-OAQYLSRUSA-N 1 1 363.461 3.793 40 0 FHABMO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000035424867 207156419 /nfs/dbraw/zinc/15/64/19/207156419.db2.gz BJQWQDNJKIIVPE-KRWDZBQOSA-N 1 1 371.485 3.660 40 0 biogenic,in-vitro FHABMO CCOc1cc(C[NH2+]Cc2ccccn2)cc(Br)c1OC ZINC000006870211 207174586 /nfs/dbraw/zinc/17/45/86/207174586.db2.gz GXERABAACGMLBI-UHFFFAOYSA-N 1 1 351.244 3.541 40 0 FHABMO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000012089307 207336638 /nfs/dbraw/zinc/33/66/38/207336638.db2.gz OTNCQPUYGFHQJG-GOSISDBHSA-N 1 1 359.429 3.980 40 0 FHABMO C[C@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1 ZINC000012144913 207342989 /nfs/dbraw/zinc/34/29/89/207342989.db2.gz ZDJXYZAJHDCBSI-RDJZCZTQSA-N 1 1 366.509 3.671 40 0 FHABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NC(=O)c2cccc(F)c2)C3)cc1 ZINC000012481199 207383315 /nfs/dbraw/zinc/38/33/15/207383315.db2.gz IEQRSGUEQUJCKC-IHWFROFDSA-N 1 1 368.452 3.760 40 0 FHABMO COc1ccccc1-c1csc(NC(=O)CCCn2cc[nH+]c2C)n1 ZINC000019288125 207653017 /nfs/dbraw/zinc/65/30/17/207653017.db2.gz DFEVSCDUELRZSG-UHFFFAOYSA-N 1 1 356.451 3.743 40 0 FHABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC[C@H](COc2ccccc2C)C1 ZINC000019523535 207676300 /nfs/dbraw/zinc/67/63/00/207676300.db2.gz GLKFQIIBXVMSSM-MOPGFXCFSA-N 1 1 369.509 3.708 40 0 FHABMO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)cc1OC ZINC000036753017 208171113 /nfs/dbraw/zinc/17/11/13/208171113.db2.gz ITUQECOUULIRNG-QGZVFWFLSA-N 1 1 351.450 3.928 40 0 FHABMO COc1ccc([C@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)cc1OC ZINC000036753017 208171119 /nfs/dbraw/zinc/17/11/19/208171119.db2.gz ITUQECOUULIRNG-QGZVFWFLSA-N 1 1 351.450 3.928 40 0 FHABMO COc1ccccc1CN(C[C@@H]1CCOC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036740484 208172614 /nfs/dbraw/zinc/17/26/14/208172614.db2.gz DWHDLFNBJMMUMB-KRWDZBQOSA-N 1 1 360.542 3.843 40 0 FHABMO CCOC(=O)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000038834498 208206883 /nfs/dbraw/zinc/20/68/83/208206883.db2.gz CZWDTDLTAOXPPU-UHFFFAOYSA-N 1 1 363.417 3.669 40 0 FHABMO O=C(NCCSc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038836536 208208870 /nfs/dbraw/zinc/20/88/70/208208870.db2.gz LXFPJVKIBLWNJE-SFHVURJKSA-N 1 1 372.509 3.946 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000038757067 208204843 /nfs/dbraw/zinc/20/48/43/208204843.db2.gz DPZLVTFOJFGSBZ-AWEZNQCLSA-N 1 1 369.852 3.918 40 0 FHABMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000038834633 208205076 /nfs/dbraw/zinc/20/50/76/208205076.db2.gz BGRJSYPEYNYAKP-KRWDZBQOSA-N 1 1 354.450 3.555 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000044903077 208321296 /nfs/dbraw/zinc/32/12/96/208321296.db2.gz WZJNPCZSRXIPAG-CQSZACIVSA-N 1 1 369.852 3.918 40 0 FHABMO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000044933107 208322943 /nfs/dbraw/zinc/32/29/43/208322943.db2.gz WDVLMUIGDYQGME-FXAWDEMLSA-N 1 1 352.478 3.785 40 0 FHABMO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COCc4cccc(C)n4)C[C@@H]32)s1 ZINC000096055551 209104406 /nfs/dbraw/zinc/10/44/06/209104406.db2.gz XODLUZWKOYXKFN-DZFGPLHGSA-N 1 1 372.534 3.956 40 0 FHABMO Cc1ccc(C[NH+]2CCC3(C[C@H](N(C)Cc4ccccn4)CO3)CC2)s1 ZINC000096048052 209101198 /nfs/dbraw/zinc/10/11/98/209101198.db2.gz WPXIZUQYMGVQMH-IBGZPJMESA-N 1 1 371.550 3.707 40 0 FHABMO COc1ccc(C[N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)cc1 ZINC000096048745 209100974 /nfs/dbraw/zinc/10/09/74/209100974.db2.gz VPVSLOVRFGSBBG-HXUWFJFHSA-N 1 1 356.491 3.776 40 0 FHABMO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072350570 208837651 /nfs/dbraw/zinc/83/76/51/208837651.db2.gz JJNUQKMQKMDWHM-KRWDZBQOSA-N 1 1 362.481 3.560 40 0 FHABMO CC[C@H](C)Nc1cc(N2CCc3cc(OC)c(OC)cc3C2)[nH+]c(C)n1 ZINC000244226061 132250130 /nfs/dbraw/zinc/25/01/30/132250130.db2.gz WCSANAXGNBGELP-ZDUSSCGKSA-N 1 1 356.470 3.575 40 0 FHABMO FC(F)(F)Oc1ccc2c(c1)CN(c1cc[nH+]c(NC3CC3)n1)CC2 ZINC000329061745 132373077 /nfs/dbraw/zinc/37/30/77/132373077.db2.gz WTDNWZCRMJAPBG-UHFFFAOYSA-N 1 1 350.344 3.512 40 0 FHABMO CSc1ccccc1C(=O)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408612297 263482061 /nfs/dbraw/zinc/48/20/61/263482061.db2.gz VHFKSWSAXNBYQM-GOSISDBHSA-N 1 1 352.503 3.681 40 0 FHABMO COc1ccc(CCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020488456 523969282 /nfs/dbraw/zinc/96/92/82/523969282.db2.gz YQUQBLWCFQLVEO-SFHVURJKSA-N 1 1 366.505 3.900 40 0 FHABMO O=C(NCCCn1cccc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020568019 526284293 /nfs/dbraw/zinc/28/42/93/526284293.db2.gz XITVJJJAPSYRJI-UHFFFAOYSA-N 1 1 373.500 3.867 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 ZINC000020459611 527372373 /nfs/dbraw/zinc/37/23/73/527372373.db2.gz WKWWXTABBJAABH-CQSZACIVSA-N 1 1 369.852 3.918 40 0 FHABMO CC(C)[C@H](CO)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000329023430 535038535 /nfs/dbraw/zinc/03/85/35/535038535.db2.gz OTJPPXGPJXQYQT-BEFAXECRSA-N 1 1 366.509 3.734 40 0 FHABMO CC(C)[C@H](CO)Nc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C2CC2)n1 ZINC000329023430 535038540 /nfs/dbraw/zinc/03/85/40/535038540.db2.gz OTJPPXGPJXQYQT-BEFAXECRSA-N 1 1 366.509 3.734 40 0 FHABMO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2ccccc2Cl)CC[C@@]1(C)O ZINC000514290028 560030774 /nfs/dbraw/zinc/03/07/74/560030774.db2.gz RFFGMQKPXKWZIM-PCCBWWKXSA-N 1 1 372.896 3.543 40 0 biogenic,in-vitro FHABMO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2ccccc2Cl)CC[C@@]1(C)O ZINC000514290028 560030776 /nfs/dbraw/zinc/03/07/76/560030776.db2.gz RFFGMQKPXKWZIM-PCCBWWKXSA-N 1 1 372.896 3.543 40 0 biogenic,in-vitro FHABMO CCC[NH+]1CCN(C(=O)c2cc3sccc3n2Cc2ccccc2)CC1 ZINC000057697188 568282055 /nfs/dbraw/zinc/28/20/55/568282055.db2.gz MVNHUBQPXUHCCE-UHFFFAOYSA-N 1 1 367.518 3.919 40 0 FHABMO C[C@@H](CNC(=O)/C=C/c1ccc(Cl)cc1Cl)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000032429813 568389965 /nfs/dbraw/zinc/38/99/65/568389965.db2.gz BHCQBEMURIRTJE-KZGWVXSYSA-N 1 1 371.308 3.621 40 0 FHABMO CC(=O)N1CCCC[C@@H]2[C@H]1CCC[N@H+]2C[C@@]1(O)CC[C@H](C(C)(C)C)CC1 ZINC000585282245 570492670 /nfs/dbraw/zinc/49/26/70/570492670.db2.gz CDXFGUUVPXFQQD-VMBXEPDQSA-N 1 1 364.574 3.819 40 0 FHABMO O[C@]1(COc2ccc(Cl)cc2)COCC[N@H+](C2CCCCCC2)C1 ZINC000585283559 570493153 /nfs/dbraw/zinc/49/31/53/570493153.db2.gz RXACQCZGONYTSJ-IBGZPJMESA-N 1 1 353.890 3.505 40 0 FHABMO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@H+](C3CCCCCC3)CC[C@@H]2O)c1 ZINC000585284859 570494147 /nfs/dbraw/zinc/49/41/47/570494147.db2.gz AAYBMVUDJGBRHG-VXKWHMMOSA-N 1 1 361.526 3.511 40 0 FHABMO N[C@H](CCCCCC[C@@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000001608383 570502826 /nfs/dbraw/zinc/50/28/26/570502826.db2.gz JNYOLDUBIHISNF-WOJBJXKFSA-N 1 1 352.478 3.747 40 0 FHABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216418 570533587 /nfs/dbraw/zinc/53/35/87/570533587.db2.gz XJQLTJSFRVFDRX-GOSISDBHSA-N 1 1 374.529 3.686 40 0 FHABMO COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044933205 570539231 /nfs/dbraw/zinc/53/92/31/570539231.db2.gz CQWZUCZOPYPKQP-APWZRJJASA-N 1 1 370.468 3.924 40 0 FHABMO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408681184 570641322 /nfs/dbraw/zinc/64/13/22/570641322.db2.gz PTWNLPYSBQNCHL-HXUWFJFHSA-N 1 1 372.896 3.842 40 0 FHABMO COCCNc1c(-c2ccc(OC)c(OC)c2)[nH+]c2ccc(Cl)cn21 ZINC000004848479 570669720 /nfs/dbraw/zinc/66/97/20/570669720.db2.gz OJVAKJSTMVSPSU-UHFFFAOYSA-N 1 1 361.829 3.730 40 0 FHABMO COc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccco2)cc1 ZINC000004856881 570671464 /nfs/dbraw/zinc/67/14/64/570671464.db2.gz JXOWKSIRPDGBPA-ALOPSCKCSA-N 1 1 371.506 3.770 40 0 FHABMO c1csc(-c2ccnc(N3CCC[N@H+](Cc4ccccc4)CC3)n2)c1 ZINC000013567005 570832719 /nfs/dbraw/zinc/83/27/19/570832719.db2.gz AVPYHWYLLGAUTE-UHFFFAOYSA-N 1 1 350.491 3.917 40 0 FHABMO COc1ccc(C[N@H+](Cc2cccc3cccnc32)C[C@H](C)O)cc1OC ZINC000013991769 570840654 /nfs/dbraw/zinc/84/06/54/570840654.db2.gz KZPFQICSZONLTM-INIZCTEOSA-N 1 1 366.461 3.635 40 0 FHABMO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(C)c(C)c1)[N@H+](C)CC3)OCO2 ZINC000016779490 570861786 /nfs/dbraw/zinc/86/17/86/570861786.db2.gz BOVQJDQQMDEMGJ-QGZVFWFLSA-N 1 1 367.445 3.843 40 0 FHABMO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(C)c(C)c1)[N@@H+](C)CC3)OCO2 ZINC000016779490 570861792 /nfs/dbraw/zinc/86/17/92/570861792.db2.gz BOVQJDQQMDEMGJ-QGZVFWFLSA-N 1 1 367.445 3.843 40 0 FHABMO CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@H+]2Cc1ccccc1 ZINC000019017766 570879444 /nfs/dbraw/zinc/87/94/44/570879444.db2.gz SEMNTIYDUJNZHD-YPAWHYETSA-N 1 1 352.453 3.805 40 0 FHABMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)c(C)c1C ZINC000019216000 570881873 /nfs/dbraw/zinc/88/18/73/570881873.db2.gz QFWWPVQLUDUHHB-MZKRTTBSSA-N 1 1 366.505 3.745 40 0 FHABMO C[C@@H](CC[N@H+]1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1)c1ccccc1 ZINC000019455735 570889509 /nfs/dbraw/zinc/88/95/09/570889509.db2.gz ZTMUFQCCNWOSIC-WMQCIHAUSA-N 1 1 373.504 3.953 40 0 FHABMO C[C@H](CC[N@H+]1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1)c1ccccc1 ZINC000019455737 570889630 /nfs/dbraw/zinc/88/96/30/570889630.db2.gz ZTMUFQCCNWOSIC-UIFIKXQLSA-N 1 1 373.504 3.953 40 0 FHABMO CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019499266 570890699 /nfs/dbraw/zinc/89/06/99/570890699.db2.gz QAMNTSOZPXCCRN-CRAIPNDOSA-N 1 1 361.486 3.762 40 0 FHABMO CCc1[nH+]ccn1C[C@H](C)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000019523600 570891166 /nfs/dbraw/zinc/89/11/66/570891166.db2.gz IXOHVARCCCOULJ-AWEZNQCLSA-N 1 1 354.479 3.768 40 0 FHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1c(OC)cccc1OC ZINC000019527211 570891988 /nfs/dbraw/zinc/89/19/88/570891988.db2.gz HYBAWURYOAXLAY-LJQANCHMSA-N 1 1 369.509 3.585 40 0 FHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(OC)c(OC)c1)Cc1ccccn1 ZINC000019527125 570892156 /nfs/dbraw/zinc/89/21/56/570892156.db2.gz IYYOJVLSGIZSOZ-HXUWFJFHSA-N 1 1 369.509 3.585 40 0 FHABMO CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](CC2CC2)C1 ZINC000019529118 570892165 /nfs/dbraw/zinc/89/21/65/570892165.db2.gz AUPQQKIFTYNACX-HSZRJFAPSA-N 1 1 363.505 3.529 40 0 FHABMO COc1cccc(CN2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)c1 ZINC000019588426 570895081 /nfs/dbraw/zinc/89/50/81/570895081.db2.gz BDJXUTULDJTASH-UHFFFAOYSA-N 1 1 352.478 3.554 40 0 FHABMO C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)[C@H]1CCCCO1 ZINC000019590803 570895736 /nfs/dbraw/zinc/89/57/36/570895736.db2.gz FQVUGRRMENTATC-BQJUDKOJSA-N 1 1 374.500 3.564 40 0 FHABMO O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000019660115 570897360 /nfs/dbraw/zinc/89/73/60/570897360.db2.gz SMHRNQRLPHTDOM-KRWDZBQOSA-N 1 1 354.416 3.771 40 0 FHABMO Cc1ccc(-c2ncc(C[N@H+]3CC[C@@](O)(c4ccc(C)cc4)C3)cn2)cc1 ZINC000019715867 570900007 /nfs/dbraw/zinc/90/00/07/570900007.db2.gz HJQMBKGHCWUHRH-QHCPKHFHSA-N 1 1 359.473 3.854 40 0 FHABMO CC(C)CNC(=O)c1cc([C@H]2CC[N@@H+](CC3CC3)C2)nc2ccccc21 ZINC000019761472 570902206 /nfs/dbraw/zinc/90/22/06/570902206.db2.gz SQPJHCTUMKTRAF-KRWDZBQOSA-N 1 1 351.494 3.820 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000020110161 570910266 /nfs/dbraw/zinc/91/02/66/570910266.db2.gz IUWSOAMCTZPKPT-UHFFFAOYSA-N 1 1 370.250 3.873 40 0 FHABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCCN(Cc2cccc(F)c2)CC1 ZINC000022916203 570952671 /nfs/dbraw/zinc/95/26/71/570952671.db2.gz ADKGOSPMCMBYGO-UHFFFAOYSA-N 1 1 358.505 3.928 40 0 FHABMO Cc1nn(C(C)C)c(C)c1CN1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000022916203 570952677 /nfs/dbraw/zinc/95/26/77/570952677.db2.gz ADKGOSPMCMBYGO-UHFFFAOYSA-N 1 1 358.505 3.928 40 0 FHABMO Cc1nn(C(C)C)c(C)c1CN1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000022916203 570952681 /nfs/dbraw/zinc/95/26/81/570952681.db2.gz ADKGOSPMCMBYGO-UHFFFAOYSA-N 1 1 358.505 3.928 40 0 FHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1 ZINC000223971120 570973488 /nfs/dbraw/zinc/97/34/88/570973488.db2.gz JRCRHQBTMBUYLM-UHFFFAOYSA-N 1 1 363.461 3.665 40 0 FHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCOc2cc(C)ccc2C)cc1 ZINC000224050058 570975844 /nfs/dbraw/zinc/97/58/44/570975844.db2.gz DPOFXRYEKZSNGW-UHFFFAOYSA-N 1 1 363.461 3.665 40 0 FHABMO c1csc(C[N@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306143851 571042892 /nfs/dbraw/zinc/04/28/92/571042892.db2.gz YOLYAIIYTKPALH-NRFANRHFSA-N 1 1 362.502 3.702 40 0 FHABMO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@H+](C3CCC3)C[C@@H]21 ZINC000306143944 571043002 /nfs/dbraw/zinc/04/30/02/571043002.db2.gz YRKUXILSNJBNQT-ICSRJNTNSA-N 1 1 357.450 3.600 40 0 FHABMO O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225577000 571047137 /nfs/dbraw/zinc/04/71/37/571047137.db2.gz IZFVSTLWSVWYOC-OHNRDTAOSA-N 1 1 364.892 3.996 40 0 FHABMO CC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225602910 571048583 /nfs/dbraw/zinc/04/85/83/571048583.db2.gz HARNXYQCPWWREI-DYESRHJHSA-N 1 1 362.514 3.941 40 0 FHABMO CO[C@](C)(C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260812531 571123210 /nfs/dbraw/zinc/12/32/10/571123210.db2.gz FJSULGHVPIXIBA-JTSKRJEESA-N 1 1 374.525 3.941 40 0 FHABMO CO[C@](C)(C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260812332 571123395 /nfs/dbraw/zinc/12/33/95/571123395.db2.gz AMILESRALIBYPF-KKSFZXQISA-N 1 1 360.498 3.551 40 0 FHABMO CCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260818202 571123859 /nfs/dbraw/zinc/12/38/59/571123859.db2.gz XQWNQTBWYQCCGV-UWJYYQICSA-N 1 1 362.514 3.941 40 0 FHABMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000060322500 571136363 /nfs/dbraw/zinc/13/63/63/571136363.db2.gz SEHPSHMJMMMWLS-CQSZACIVSA-N 1 1 367.331 3.822 40 0 FHABMO Cc1ncsc1C[N@@H+]1CCN(C)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257232500 571152607 /nfs/dbraw/zinc/15/26/07/571152607.db2.gz GLCFYUSOKQDYGX-QGZVFWFLSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1ncsc1CN1CC[N@@H+](C)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257232500 571152610 /nfs/dbraw/zinc/15/26/10/571152610.db2.gz GLCFYUSOKQDYGX-QGZVFWFLSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1ncsc1CN1CC[N@H+](C)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257232500 571152613 /nfs/dbraw/zinc/15/26/13/571152613.db2.gz GLCFYUSOKQDYGX-QGZVFWFLSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1cccc(Nc2cnc([C@@H]3CCC[N@@H+](Cc4cncs4)C3)cn2)n1 ZINC000257284136 571158100 /nfs/dbraw/zinc/15/81/00/571158100.db2.gz PBIXSZPBJPJZIL-OAHLLOKOSA-N 1 1 366.494 3.760 40 0 FHABMO Cn1cncc1-c1cncc(C2CC[NH+](Cc3cc(F)ccc3F)CC2)n1 ZINC000257298240 571159330 /nfs/dbraw/zinc/15/93/30/571159330.db2.gz RKUYNOKPPWPJSG-UHFFFAOYSA-N 1 1 369.419 3.535 40 0 FHABMO Cc1cccnc1Nc1cc(C2CC[NH+](Cc3nccn3C)CC2)ccn1 ZINC000257310951 571160825 /nfs/dbraw/zinc/16/08/25/571160825.db2.gz UHHXLQWJZUVINC-UHFFFAOYSA-N 1 1 362.481 3.642 40 0 FHABMO Cc1ccc2c(c1)OC1(CC[NH+](Cc3ccnn3C)CC1)[C@H]1CCCO[C@H]21 ZINC000257321201 571161648 /nfs/dbraw/zinc/16/16/48/571161648.db2.gz WAOSUXKYOJFKIF-PZJWPPBQSA-N 1 1 367.493 3.623 40 0 FHABMO CC[N@@H+](C)[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C2(C1)CCCCC2 ZINC000019704925 571172193 /nfs/dbraw/zinc/17/21/93/571172193.db2.gz ZQUXULVJBUAHBK-GOSISDBHSA-N 1 1 353.510 3.966 40 0 FHABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4ccc(Cl)cc4)C3)cc(N)n2n1 ZINC000072339776 571179220 /nfs/dbraw/zinc/17/92/20/571179220.db2.gz CRZQYZPFWYWQPQ-HNNXBMFYSA-N 1 1 355.873 3.653 40 0 FHABMO Cc1nc([C@H]2CCCC[N@H+]2CCCc2ccccc2)ncc1C(=O)N(C)C ZINC000072345468 571179766 /nfs/dbraw/zinc/17/97/66/571179766.db2.gz MGCSYJOCOOWMOB-HXUWFJFHSA-N 1 1 366.509 3.647 40 0 FHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072348748 571180263 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FHABMO Cc1nn(C)c2nc([C@@H]3CCC[N@@H+](Cc4ccc(Cl)cn4)C3)ccc12 ZINC000257287987 534829420 /nfs/dbraw/zinc/82/94/20/534829420.db2.gz PSHHLOAIUWFQMV-CQSZACIVSA-N 1 1 355.873 3.705 40 0 FHABMO Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1c1cc(Nc2ncccc2C)nc(C)n1 ZINC000257315905 534853922 /nfs/dbraw/zinc/85/39/22/534853922.db2.gz VDFFSPPVMRDMGY-SFHVURJKSA-N 1 1 363.469 3.601 40 0 FHABMO Cc1n[nH]cc1C[N@H+]1CCC[C@H]1c1cc(Nc2ncccc2C)nc(C)n1 ZINC000257315905 534853923 /nfs/dbraw/zinc/85/39/23/534853923.db2.gz VDFFSPPVMRDMGY-SFHVURJKSA-N 1 1 363.469 3.601 40 0 FHABMO CC1(C)Oc2ccccc2[C@H]2OCC3(CC[NH+](Cc4cnc[nH]4)CC3)C[C@@H]21 ZINC000257264379 527817212 /nfs/dbraw/zinc/81/72/12/527817212.db2.gz LUCGPTRUMPKCOR-AZUAARDMSA-N 1 1 367.493 3.941 40 0 FHABMO CC(C)c1ccc(OCCc2cc([C@@H]3C[N@H+](CC4CC4)CCO3)[nH]n2)cc1 ZINC000257224820 528123752 /nfs/dbraw/zinc/12/37/52/528123752.db2.gz FDNCDGRYLLTCBF-QFIPXVFZSA-N 1 1 369.509 3.938 40 0 FHABMO CC(C)c1ccc(OCCc2cc([C@@H]3C[N@@H+](CC4CC4)CCO3)[nH]n2)cc1 ZINC000257224820 528123755 /nfs/dbraw/zinc/12/37/55/528123755.db2.gz FDNCDGRYLLTCBF-QFIPXVFZSA-N 1 1 369.509 3.938 40 0 FHABMO C[C@@]1(O)CC[N@@H+](CC2CCCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289970 560031033 /nfs/dbraw/zinc/03/10/33/560031033.db2.gz RQBFYHPBWHNEFR-QNWVGRARSA-N 1 1 370.537 3.660 40 0 biogenic,in-vitro FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CSCc1ccc(F)cc1 ZINC000216406562 568122165 /nfs/dbraw/zinc/12/21/65/568122165.db2.gz FCLAMVLYIQFRMJ-UHFFFAOYSA-N 1 1 369.465 3.869 40 0 FHABMO CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000222980741 568585285 /nfs/dbraw/zinc/58/52/85/568585285.db2.gz YLVQEUVGGPVPTH-JOCHJYFZSA-N 1 1 366.505 3.805 40 0 FHABMO CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000222980794 568585348 /nfs/dbraw/zinc/58/53/48/568585348.db2.gz YLVQEUVGGPVPTH-QFIPXVFZSA-N 1 1 366.505 3.805 40 0 FHABMO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000223253224 568630666 /nfs/dbraw/zinc/63/06/66/568630666.db2.gz ALPTYUYMOUNOGP-GCJKJVERSA-N 1 1 372.553 3.961 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccnc2)C3)s1 ZINC000096047044 570472916 /nfs/dbraw/zinc/47/29/16/570472916.db2.gz GLVFMGXWLDBOFY-FQEVSTJZSA-N 1 1 355.507 3.580 40 0 FHABMO COc1ccc(C[N@H+]2CCC3(C2)CCN(Cc2nccs2)CC3)cc1 ZINC000096046619 570473219 /nfs/dbraw/zinc/47/32/19/570473219.db2.gz KOUVLGDDWDVDAD-UHFFFAOYSA-N 1 1 357.523 3.640 40 0 FHABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccoc3)CC2)N1Cc1cccc(F)c1 ZINC000096047548 570473702 /nfs/dbraw/zinc/47/37/02/570473702.db2.gz PTHDSXXLXSHQPK-OAQYLSRUSA-N 1 1 356.441 3.966 40 0 FHABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3ccc4[nH]cnc4c3)CC2)cc1 ZINC000585271405 570485462 /nfs/dbraw/zinc/48/54/62/570485462.db2.gz YCRSAZOGAKLBMJ-QFIPXVFZSA-N 1 1 365.477 3.667 40 0 FHABMO Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3ccc4nc[nH]c4c3)CC2)cc1 ZINC000585271405 570485463 /nfs/dbraw/zinc/48/54/63/570485463.db2.gz YCRSAZOGAKLBMJ-QFIPXVFZSA-N 1 1 365.477 3.667 40 0 FHABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3ccc4nc[nH]c4c3)CC2)cc1 ZINC000585271405 570485464 /nfs/dbraw/zinc/48/54/64/570485464.db2.gz YCRSAZOGAKLBMJ-QFIPXVFZSA-N 1 1 365.477 3.667 40 0 FHABMO [NH3+][C@@H](c1nc(-c2ccc(Br)o2)n[nH]1)c1ccc(Cl)cc1 ZINC000095534039 570526434 /nfs/dbraw/zinc/52/64/34/570526434.db2.gz ZLCCVVLRLTYMOO-LLVKDONJSA-N 1 1 353.607 3.529 40 0 FHABMO CCC[N@H+]1CCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216404 570533625 /nfs/dbraw/zinc/53/36/25/570533625.db2.gz FSTUIIBEZZWSAD-SFHVURJKSA-N 1 1 374.529 3.686 40 0 FHABMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N(C)C)[nH+]c2C)cc1 ZINC000072218779 570534380 /nfs/dbraw/zinc/53/43/80/570534380.db2.gz OVFPZHGCPDTFLX-IBGZPJMESA-N 1 1 373.522 3.680 40 0 FHABMO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccccc2)cnc1N1CCOCC1 ZINC000072219367 570534497 /nfs/dbraw/zinc/53/44/97/570534497.db2.gz XTKDACQDOJWGEJ-OAQYLSRUSA-N 1 1 351.494 3.954 40 0 FHABMO Cc1ccc([C@@H](CC(=O)N[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c2ccco2)cc1 ZINC000004812403 570607903 /nfs/dbraw/zinc/60/79/03/570607903.db2.gz ALGBIQNSNSQKKV-XEYPJELSSA-N 1 1 354.494 3.955 40 0 FHABMO Cc1ccc2[nH]c(C3CC[NH+](CC(=O)Nc4ccccc4C)CC3)nc2c1 ZINC000005626063 570632019 /nfs/dbraw/zinc/63/20/19/570632019.db2.gz HJRDDUCEYSHDOG-UHFFFAOYSA-N 1 1 362.477 3.998 40 0 FHABMO Cc1ccc2nc(C3CC[NH+](CC(=O)Nc4ccccc4C)CC3)[nH]c2c1 ZINC000005626063 570632023 /nfs/dbraw/zinc/63/20/23/570632023.db2.gz HJRDDUCEYSHDOG-UHFFFAOYSA-N 1 1 362.477 3.998 40 0 FHABMO CCSc1ccccc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000144352571 570636280 /nfs/dbraw/zinc/63/62/80/570636280.db2.gz KCDKBTKJEUFNAZ-UHFFFAOYSA-N 1 1 370.518 3.561 40 0 FHABMO CCOc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CC1 ZINC000004857018 570671416 /nfs/dbraw/zinc/67/14/16/570671416.db2.gz AJUVTTRWDGSBFI-ZXFUBFMLSA-N 1 1 359.539 3.920 40 0 FHABMO COc1ccc([C@H](c2c(C)[nH]c3ccccc32)[NH+]2CCOCC2)cc1OC ZINC000024171413 570686287 /nfs/dbraw/zinc/68/62/87/570686287.db2.gz VZUIZQHKXGLTMH-JOCHJYFZSA-N 1 1 366.461 3.915 40 0 FHABMO Cc1ccsc1C[N@@H+](Cc1cncn1Cc1ccccc1)C[C@H](C)O ZINC000012143704 570721461 /nfs/dbraw/zinc/72/14/61/570721461.db2.gz SVOUFNSZOJISGA-KRWDZBQOSA-N 1 1 355.507 3.684 40 0 FHABMO Cc1ccsc1C[N@H+](Cc1cncn1Cc1ccccc1)C[C@H](C)O ZINC000012143704 570721463 /nfs/dbraw/zinc/72/14/63/570721463.db2.gz SVOUFNSZOJISGA-KRWDZBQOSA-N 1 1 355.507 3.684 40 0 FHABMO COc1ccc(OC)c(CN(Cc2ccco2)Cc2c[nH+]c(C)n2C)c1 ZINC000012143712 570722217 /nfs/dbraw/zinc/72/22/17/570722217.db2.gz LQTOYSYBSLHGOV-UHFFFAOYSA-N 1 1 355.438 3.541 40 0 FHABMO CCOc1ccc(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)cc1OC ZINC000012144483 570722478 /nfs/dbraw/zinc/72/24/78/570722478.db2.gz RLEGUJGHIOCHFL-LJQANCHMSA-N 1 1 356.466 3.670 40 0 FHABMO CCOc1ccc(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)cc1OC ZINC000012144483 570722485 /nfs/dbraw/zinc/72/24/85/570722485.db2.gz RLEGUJGHIOCHFL-LJQANCHMSA-N 1 1 356.466 3.670 40 0 FHABMO CCCSc1ncc(C[N@H+](C)Cc2cc(=O)[nH]c3ccccc23)cn1 ZINC000012188463 570725255 /nfs/dbraw/zinc/72/52/55/570725255.db2.gz FVUCMDIQGBTOBD-UHFFFAOYSA-N 1 1 354.479 3.865 40 0 FHABMO CCCSc1ncc(C[N@@H+](C)Cc2cc(=O)[nH]c3ccccc23)cn1 ZINC000012188463 570725256 /nfs/dbraw/zinc/72/52/56/570725256.db2.gz FVUCMDIQGBTOBD-UHFFFAOYSA-N 1 1 354.479 3.865 40 0 FHABMO CC(C)c1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 ZINC000012220539 570728491 /nfs/dbraw/zinc/72/84/91/570728491.db2.gz CDVOXBFGNDDVPJ-PMSBKCLSSA-N 1 1 355.457 3.754 40 0 FHABMO Fc1cccc(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)c1F ZINC000012668934 570756251 /nfs/dbraw/zinc/75/62/51/570756251.db2.gz UPJCDEMXPFZWOU-UHFFFAOYSA-N 1 1 356.376 3.789 40 0 FHABMO O=C(NC[C@@H]1CCCO1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849074 570866281 /nfs/dbraw/zinc/86/62/81/570866281.db2.gz JVHHHDIRSFGLHS-KBPBESRZSA-N 1 1 371.308 3.501 40 0 FHABMO O=C(NC[C@@H]1CCCO1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849074 570866283 /nfs/dbraw/zinc/86/62/83/570866283.db2.gz JVHHHDIRSFGLHS-KBPBESRZSA-N 1 1 371.308 3.501 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCOc2ccc(C)cc2)cc1 ZINC000030854518 571051152 /nfs/dbraw/zinc/05/11/52/571051152.db2.gz DQWWNMVYSDDIBD-UHFFFAOYSA-N 1 1 363.461 3.965 40 0 FHABMO O=C(Nc1ccc2c(c1)[C@H]([NH+]1CCOCC1)c1ccccc1-2)C(F)(F)F ZINC000031614523 571054920 /nfs/dbraw/zinc/05/49/20/571054920.db2.gz BOOBFSOLVRZOTE-QGZVFWFLSA-N 1 1 362.351 3.589 40 0 FHABMO O[C@@H](CSc1ccccc1)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000031938427 571055988 /nfs/dbraw/zinc/05/59/88/571055988.db2.gz FRMIMMWRTKNFTH-MRXNPFEDSA-N 1 1 362.926 3.615 40 0 FHABMO C[C@H](C[NH+]1CCOCC1)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000031938040 571055994 /nfs/dbraw/zinc/05/59/94/571055994.db2.gz OKFYKMOGOWTGMW-UTKZUKDTSA-N 1 1 359.897 3.739 40 0 FHABMO C[C@@H](C[NH+]1CCOCC1)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000031938038 571056177 /nfs/dbraw/zinc/05/61/77/571056177.db2.gz OKFYKMOGOWTGMW-UWJYYQICSA-N 1 1 359.897 3.739 40 0 FHABMO C[C@H](CC[N@H+]1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1)c1ccccc1 ZINC000036719529 571081259 /nfs/dbraw/zinc/08/12/59/571081259.db2.gz NBDFZZHBQPJTOU-MJGOQNOKSA-N 1 1 374.488 3.815 40 0 FHABMO COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c1 ZINC000038851901 571088477 /nfs/dbraw/zinc/08/84/77/571088477.db2.gz UBNAVHAZHFFJSG-UHFFFAOYSA-N 1 1 363.417 3.587 40 0 FHABMO COc1ccc2c(c1)OC1(CC[NH+](Cc3ccccc3F)CC1)CC2=O ZINC000039227041 571088715 /nfs/dbraw/zinc/08/87/15/571088715.db2.gz IKYXXQIYFRCFCV-UHFFFAOYSA-N 1 1 355.409 3.834 40 0 FHABMO Cc1ccc(C(C)C)c(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000039842764 571089823 /nfs/dbraw/zinc/08/98/23/571089823.db2.gz SFHAIWYOBNXRRD-UHFFFAOYSA-N 1 1 366.505 3.842 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCSc1ccccc1 ZINC000044899880 571103817 /nfs/dbraw/zinc/10/38/17/571103817.db2.gz BEJXQHJWXNVUHP-UHFFFAOYSA-N 1 1 351.475 3.979 40 0 FHABMO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000260740914 571121677 /nfs/dbraw/zinc/12/16/77/571121677.db2.gz ALPTYUYMOUNOGP-AVRDEDQJSA-N 1 1 372.553 3.961 40 0 FHABMO CCCOC(C)(C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260818206 571124117 /nfs/dbraw/zinc/12/41/17/571124117.db2.gz XRTBTIRJUPZAFG-KRWDZBQOSA-N 1 1 362.514 3.941 40 0 FHABMO Cc1cncc(CO[C@@H]2CCOC3(C[NH+](Cc4ccccc4C)C3)C2)c1 ZINC000253602374 571139198 /nfs/dbraw/zinc/13/91/98/571139198.db2.gz AGBOFALXEHKNPP-OAQYLSRUSA-N 1 1 352.478 3.649 40 0 FHABMO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@H+](Cc3cscn3)C2)on1 ZINC000072334680 571178885 /nfs/dbraw/zinc/17/88/85/571178885.db2.gz NMRZQHXNLOVBAB-CQSZACIVSA-N 1 1 355.467 3.585 40 0 FHABMO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@@H+](Cc3cscn3)C2)on1 ZINC000072334680 571178888 /nfs/dbraw/zinc/17/88/88/571178888.db2.gz NMRZQHXNLOVBAB-CQSZACIVSA-N 1 1 355.467 3.585 40 0 FHABMO CC(C)[N@H+]1CC[C@H](CCc2ccc(NC(=O)c3cc[nH]n3)cc2)[C@H](C)C1 ZINC000072335297 571179018 /nfs/dbraw/zinc/17/90/18/571179018.db2.gz ZPDOVFWOQIPZDK-AEFFLSMTSA-N 1 1 354.498 3.961 40 0 FHABMO CSc1ncc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(C)cc4)[C@H]3C2)cn1 ZINC000072340459 571179194 /nfs/dbraw/zinc/17/91/94/571179194.db2.gz KNBCWMOYTUBDJR-HFSMHLIXSA-N 1 1 369.534 3.627 40 0 FHABMO CCCCC(=O)N1CCC[C@H]([N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C)C1 ZINC000072342507 571179532 /nfs/dbraw/zinc/17/95/32/571179532.db2.gz BPMSWIXPPOYMTI-WMZOPIPTSA-N 1 1 374.525 3.804 40 0 FHABMO O=C(C1CCCC1)N1CC[N@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355175 571182479 /nfs/dbraw/zinc/18/24/79/571182479.db2.gz UABDZRKSNAQVDM-GOSISDBHSA-N 1 1 355.526 3.517 40 0 FHABMO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2)n1)N1CCCCC1 ZINC000072357621 571182684 /nfs/dbraw/zinc/18/26/84/571182684.db2.gz FBIMFLIFTCLZGH-QFIPXVFZSA-N 1 1 363.505 3.822 40 0 FHABMO O=C(C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2)n1)N1CCCCC1 ZINC000072357621 571182688 /nfs/dbraw/zinc/18/26/88/571182688.db2.gz FBIMFLIFTCLZGH-QFIPXVFZSA-N 1 1 363.505 3.822 40 0 FHABMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1)N1CCCC1 ZINC000072357648 571182794 /nfs/dbraw/zinc/18/27/94/571182794.db2.gz CAAJSLGQNOZMDP-OAQYLSRUSA-N 1 1 367.468 3.571 40 0 FHABMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1)N1CCCC1 ZINC000072357648 571182796 /nfs/dbraw/zinc/18/27/96/571182796.db2.gz CAAJSLGQNOZMDP-OAQYLSRUSA-N 1 1 367.468 3.571 40 0 FHABMO Nc1cc(-c2c[nH]nc2[C@@H]2CCCC[N@H+]2CCOc2ccccc2)ccn1 ZINC000072357478 571182804 /nfs/dbraw/zinc/18/28/04/571182804.db2.gz ABUAFNMQCNPAGQ-IBGZPJMESA-N 1 1 363.465 3.660 40 0 FHABMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375349 571185717 /nfs/dbraw/zinc/18/57/17/571185717.db2.gz VKQZIMAEAUYZJP-MRXNPFEDSA-N 1 1 354.483 3.661 40 0 FHABMO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@H+](C4CCOCC4)C3)n2)n1 ZINC000072376062 571185733 /nfs/dbraw/zinc/18/57/33/571185733.db2.gz SXXSKYRAIYIOIL-KRWDZBQOSA-N 1 1 367.497 3.590 40 0 FHABMO c1ccc(CC[N@H+]2CCCC[C@H]2c2ccnc(Nc3cncnc3)n2)cc1 ZINC000072377580 571186548 /nfs/dbraw/zinc/18/65/48/571186548.db2.gz HZHSHNOTTHKUGX-FQEVSTJZSA-N 1 1 360.465 3.780 40 0 FHABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2ccc(OC)cc2)n1 ZINC000072378689 571186971 /nfs/dbraw/zinc/18/69/71/571186971.db2.gz MIQRYWJIZQTPTN-IBGZPJMESA-N 1 1 363.465 3.570 40 0 FHABMO COc1cccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)c1 ZINC000072390036 571189687 /nfs/dbraw/zinc/18/96/87/571189687.db2.gz CTNPLZQFQPCOKQ-MRXNPFEDSA-N 1 1 350.422 3.520 40 0 FHABMO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)cc1OC ZINC000072395175 571190464 /nfs/dbraw/zinc/19/04/64/571190464.db2.gz CYBABHHUJLIMRY-RBUKOAKNSA-N 1 1 363.461 3.810 40 0 FHABMO O=C(c1ccco1)N1CCC[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306123015 571212772 /nfs/dbraw/zinc/21/27/72/571212772.db2.gz ACGINQCCXWDNJL-SFHVURJKSA-N 1 1 358.401 3.967 40 0 FHABMO Clc1ccc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)cc1 ZINC000585104451 571223937 /nfs/dbraw/zinc/22/39/37/571223937.db2.gz ITZFTKMRPWXUSY-GOSISDBHSA-N 1 1 367.942 3.843 40 0 FHABMO FC(F)(F)c1cc(N2CC[C@@H]3[C@@H](C[N@H+]3CC3CCCCC3)C2)ncn1 ZINC000585107926 571225028 /nfs/dbraw/zinc/22/50/28/571225028.db2.gz FWTAMBMLVMHZNM-HUUCEWRRSA-N 1 1 354.420 3.586 40 0 FHABMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@H]3C2)cc1 ZINC000247877555 571290860 /nfs/dbraw/zinc/29/08/60/571290860.db2.gz HPMXDWWNRHTGIO-AVCGJXAMSA-N 1 1 367.489 3.824 40 0 FHABMO CC[N@@H+](C)[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000019704928 571304499 /nfs/dbraw/zinc/30/44/99/571304499.db2.gz XRINXNSRRUSNGA-IBGZPJMESA-N 1 1 357.498 3.514 40 0 FHABMO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2Cc1ccccc1N1CCCCC1 ZINC000019712521 571304700 /nfs/dbraw/zinc/30/47/00/571304700.db2.gz KTIRNZMGVWAIBG-FGZHOGPDSA-N 1 1 355.526 3.652 40 0 FHABMO CN1CCC([N@H+]2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257245589 530049715 /nfs/dbraw/zinc/04/97/15/530049715.db2.gz IQFXQURFLIYICK-KRWDZBQOSA-N 1 1 357.473 3.678 40 0 FHABMO C[NH+]1CCC(N2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257245589 530049716 /nfs/dbraw/zinc/04/97/16/530049716.db2.gz IQFXQURFLIYICK-KRWDZBQOSA-N 1 1 357.473 3.678 40 0 FHABMO CCn1cc(CN2CCC[C@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)cn1 ZINC000306132080 210053568 /nfs/dbraw/zinc/05/35/68/210053568.db2.gz KXQSNIYUTFEHPZ-FQEVSTJZSA-N 1 1 372.476 3.950 40 0 FHABMO CCn1cc(CN2CCC[C@@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)cn1 ZINC000306132081 210053677 /nfs/dbraw/zinc/05/36/77/210053677.db2.gz KXQSNIYUTFEHPZ-HXUWFJFHSA-N 1 1 372.476 3.950 40 0 FHABMO Fc1ccc(C[N@H+]2C[C@@H]3Cc4cnc(NCc5ccccc5)nc4[C@H]3C2)cc1 ZINC000306133502 210052820 /nfs/dbraw/zinc/05/28/20/210052820.db2.gz MNHVZYJNBPGKFF-FPOVZHCZSA-N 1 1 374.463 4.000 40 0 FHABMO c1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)co1 ZINC000306130316 210052183 /nfs/dbraw/zinc/05/21/83/210052183.db2.gz JCFGZLOQLPSGAK-LJQANCHMSA-N 1 1 359.433 3.764 40 0 FHABMO CCOc1cc(-c2[nH+]c3ccccn3c2NC[C@@H]2CCCO2)ccc1O ZINC000000883909 219336316 /nfs/dbraw/zinc/33/63/16/219336316.db2.gz ZSHGMEGYMWGPKO-HNNXBMFYSA-N 1 1 353.422 3.697 40 0 FHABMO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2cccc(-c3cncn3C)n2)C1 ZINC000257206889 223018111 /nfs/dbraw/zinc/01/81/11/223018111.db2.gz BFILSKSXRUAUTI-OAHLLOKOSA-N 1 1 353.495 3.627 40 0 FHABMO c1n[nH]cc1-c1cccc([C@H]2C[N@H+](Cc3cccc4ncccc34)CCO2)n1 ZINC000257290044 223052953 /nfs/dbraw/zinc/05/29/53/223052953.db2.gz QBHWIWXMUZNTDF-JOCHJYFZSA-N 1 1 371.444 3.593 40 0 FHABMO c1n[nH]cc1-c1cccc([C@H]2C[N@@H+](Cc3cccc4ncccc34)CCO2)n1 ZINC000257290044 223052958 /nfs/dbraw/zinc/05/29/58/223052958.db2.gz QBHWIWXMUZNTDF-JOCHJYFZSA-N 1 1 371.444 3.593 40 0 FHABMO COCCC(=O)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2Cc1ccc(Cl)cc1 ZINC000257305804 223059012 /nfs/dbraw/zinc/05/90/12/223059012.db2.gz SRPTYBDRDXLYQI-RTBURBONSA-N 1 1 364.917 3.722 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Br)cc1 ZINC000020040171 211265245 /nfs/dbraw/zinc/26/52/45/211265245.db2.gz DACSGVZBJBHCFD-UHFFFAOYSA-N 1 1 370.250 3.873 40 0 FHABMO COCC(=O)NCC[C@H]1CCCC[N@H+]1Cc1cn(C(C)C)c2ccccc12 ZINC000019745817 211254218 /nfs/dbraw/zinc/25/42/18/211254218.db2.gz OPPHJULOMCORQW-LJQANCHMSA-N 1 1 371.525 3.729 40 0 FHABMO COCC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cn(C(C)C)c2ccccc12 ZINC000019745815 211253264 /nfs/dbraw/zinc/25/32/64/211253264.db2.gz OPPHJULOMCORQW-IBGZPJMESA-N 1 1 371.525 3.729 40 0 FHABMO C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)c1ccccn1 ZINC000019590816 211240110 /nfs/dbraw/zinc/24/01/10/211240110.db2.gz ZJAFWIWGGIXIJY-TYPHKJRUSA-N 1 1 367.468 3.703 40 0 FHABMO CN1CCN(CCC[N@H+](C)CC2(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000019590036 211238165 /nfs/dbraw/zinc/23/81/65/211238165.db2.gz PZRGQEKGTGWKBT-UHFFFAOYSA-N 1 1 370.368 3.594 40 0 FHABMO CN1CCN(CCC[N@@H+](C)CC2(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000019590036 211238169 /nfs/dbraw/zinc/23/81/69/211238169.db2.gz PZRGQEKGTGWKBT-UHFFFAOYSA-N 1 1 370.368 3.594 40 0 FHABMO Cc1oc2c(c1C(=O)N1CCC(CCn3cc[nH+]c3C)CC1)CCCC2 ZINC000019714191 211246248 /nfs/dbraw/zinc/24/62/48/211246248.db2.gz ONPSMVMGXUWMRX-UHFFFAOYSA-N 1 1 355.482 3.914 40 0 FHABMO CCc1[nH+]ccn1[C@@H](C)C(=O)Nc1ncc(-c2ccc(C)c(C)c2)n1C ZINC000019666332 211244134 /nfs/dbraw/zinc/24/41/34/211244134.db2.gz SIRABMGUOHWDPK-HNNXBMFYSA-N 1 1 351.454 3.663 40 0 FHABMO Cc1cc(C)n(C2CC[NH+](Cc3c(C)nc4ccc(Cl)cn43)CC2)n1 ZINC000019658706 211242433 /nfs/dbraw/zinc/24/24/33/211242433.db2.gz COIBQZGBSKJTLG-UHFFFAOYSA-N 1 1 357.889 3.947 40 0 FHABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCCCC[C@@H]1c1ccn(C)n1 ZINC000019456853 211222608 /nfs/dbraw/zinc/22/26/08/211222608.db2.gz CUCHGCHVFURNDD-QFBILLFUSA-N 1 1 355.482 3.945 40 0 FHABMO CCn1cc(C[C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)c2ccccc21 ZINC000019524798 211229119 /nfs/dbraw/zinc/22/91/19/211229119.db2.gz SJCQSHVNCJMSEJ-MRXNPFEDSA-N 1 1 352.482 3.729 40 0 FHABMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1[C@@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000019523656 211228772 /nfs/dbraw/zinc/22/87/72/211228772.db2.gz IWQBXYMQKMVSRD-KSCDAYEDSA-N 1 1 351.494 3.924 40 0 FHABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(OC)c(OC)c1 ZINC000019527216 211227848 /nfs/dbraw/zinc/22/78/48/211227848.db2.gz IDLPUGQVDBTYMP-FQEVSTJZSA-N 1 1 369.509 3.585 40 0 FHABMO COc1ccc(-c2[nH]c3ncccc3c2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000019497537 211226022 /nfs/dbraw/zinc/22/60/22/211226022.db2.gz SYFATPZOLSEJKU-GASCZTMLSA-N 1 1 351.450 3.848 40 0 FHABMO CCOc1ccccc1CN1Cc2ccccc2OC2(CC[NH+](C)CC2)C1 ZINC000019520204 211225178 /nfs/dbraw/zinc/22/51/78/211225178.db2.gz XHQXUNYWSOQPRF-UHFFFAOYSA-N 1 1 366.505 3.944 40 0 FHABMO Cc1csc([C@H](Cc2ccsc2)NC(=O)CCCn2cc[nH+]c2C)n1 ZINC000019240163 211211446 /nfs/dbraw/zinc/21/14/46/211211446.db2.gz NKVMWUURPONCTO-INIZCTEOSA-N 1 1 374.535 3.898 40 0 FHABMO O=C(Cc1ccccc1)N1C[C@@H]2CCCC[N@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000019370319 211217926 /nfs/dbraw/zinc/21/79/26/211217926.db2.gz ZMVWHQNUTVDOGH-RBBKRZOGSA-N 1 1 366.480 3.881 40 0 FHABMO COc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H](O)c1cc(C)ccc1C)CC3 ZINC000019132157 211204741 /nfs/dbraw/zinc/20/47/41/211204741.db2.gz SVCONGBOIOFEPC-JOCHJYFZSA-N 1 1 350.462 3.885 40 0 FHABMO COc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H](O)c1cc(C)ccc1C)CC3 ZINC000019132157 211204744 /nfs/dbraw/zinc/20/47/44/211204744.db2.gz SVCONGBOIOFEPC-JOCHJYFZSA-N 1 1 350.462 3.885 40 0 FHABMO O=c1ccc(-c2ccco2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cccs2)C1 ZINC000020503421 220331898 /nfs/dbraw/zinc/33/18/98/220331898.db2.gz JOACMQDQLSXFBH-LSDHHAIUSA-N 1 1 352.459 3.789 40 0 biogenic,in-vitro FHABMO c1[nH]c2ccccc2c1Cc1nnc([C@H]2CC[N@H+](Cc3ccncc3)C2)o1 ZINC000049169778 221020636 /nfs/dbraw/zinc/02/06/36/221020636.db2.gz VBEWFOMKLQZDKY-INIZCTEOSA-N 1 1 359.433 3.526 40 0 biogenic,in-vitro FHABMO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000049168977 221020678 /nfs/dbraw/zinc/02/06/78/221020678.db2.gz WPGJITJJSAPNSD-HNNXBMFYSA-N 1 1 372.515 3.689 40 0 biogenic,in-vitro FHABMO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000049168977 221020682 /nfs/dbraw/zinc/02/06/82/221020682.db2.gz WPGJITJJSAPNSD-HNNXBMFYSA-N 1 1 372.515 3.689 40 0 biogenic,in-vitro FHABMO CC(C)c1nc(NCCCO)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000328968403 132371729 /nfs/dbraw/zinc/37/17/29/132371729.db2.gz CYJQOXWLCPQUPO-UHFFFAOYSA-N 1 1 354.498 3.736 40 0 FHABMO CC(C)c1cc(N2Cc3ccccc3C[C@H]2C)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328970736 132372129 /nfs/dbraw/zinc/37/21/29/132372129.db2.gz DLVCRZRDGDHSNK-UZLBHIALSA-N 1 1 368.525 3.980 40 0 FHABMO COc1cc2c(cc1OC)CN(c1cc(NC3CC3)[nH+]c(C3CC3)n1)CC2 ZINC000329008978 132372316 /nfs/dbraw/zinc/37/23/16/132372316.db2.gz LTUZZBHMFPJDFQ-UHFFFAOYSA-N 1 1 366.465 3.508 40 0 FHABMO COc1cc2c(cc1OC)CN(c1cc(NC3CC3)nc(C3CC3)[nH+]1)CC2 ZINC000329008978 132372317 /nfs/dbraw/zinc/37/23/17/132372317.db2.gz LTUZZBHMFPJDFQ-UHFFFAOYSA-N 1 1 366.465 3.508 40 0 FHABMO Cc1nc(NC2CCCC2)cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]1 ZINC000329013059 132372605 /nfs/dbraw/zinc/37/26/05/132372605.db2.gz MNHAVFAJGWMKLK-UHFFFAOYSA-N 1 1 366.509 3.930 40 0 FHABMO Cc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccccc4C)C[C@H]3F)nc2c1 ZINC000096112314 222029662 /nfs/dbraw/zinc/02/96/62/222029662.db2.gz AGECQXWKVNLSJZ-XLIONFOSSA-N 1 1 353.441 3.919 40 0 biogenic,in-vitro FHABMO Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccccc4C)C[C@H]3F)nc2c1 ZINC000096112314 222029663 /nfs/dbraw/zinc/02/96/63/222029663.db2.gz AGECQXWKVNLSJZ-XLIONFOSSA-N 1 1 353.441 3.919 40 0 biogenic,in-vitro FHABMO Cc1ccc2nc(CO[C@H]3C[N@H+](Cc4ccccc4C)C[C@H]3F)[nH]c2c1 ZINC000096112314 222029664 /nfs/dbraw/zinc/02/96/64/222029664.db2.gz AGECQXWKVNLSJZ-XLIONFOSSA-N 1 1 353.441 3.919 40 0 biogenic,in-vitro FHABMO Cc1ccc2nc(CO[C@H]3C[N@@H+](Cc4ccccc4C)C[C@H]3F)[nH]c2c1 ZINC000096112314 222029666 /nfs/dbraw/zinc/02/96/66/222029666.db2.gz AGECQXWKVNLSJZ-XLIONFOSSA-N 1 1 353.441 3.919 40 0 biogenic,in-vitro FHABMO Cc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)s1 ZINC000096050571 222001194 /nfs/dbraw/zinc/00/11/94/222001194.db2.gz WJSNWCPRSCEGPR-NRFANRHFSA-N 1 1 354.519 3.990 40 0 FHABMO Fc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC000096051154 222001674 /nfs/dbraw/zinc/00/16/74/222001674.db2.gz BYYHAUHQAKUCIF-LJQANCHMSA-N 1 1 361.411 3.958 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)s1 ZINC000096056578 222004817 /nfs/dbraw/zinc/00/48/17/222004817.db2.gz BLAFIJGWIPHQNI-IAGOWNOFSA-N 1 1 361.536 3.587 40 0 FHABMO Cc1ccsc1C[N@H+]1CCC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC000096205930 222076969 /nfs/dbraw/zinc/07/69/69/222076969.db2.gz HDWUAYXTQDVIGE-ICSRJNTNSA-N 1 1 358.507 3.792 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cccc(C)n2)C3)cc1 ZINC000096216133 222081503 /nfs/dbraw/zinc/08/15/03/222081503.db2.gz AVXBVSFSBGYLSI-HSZRJFAPSA-N 1 1 365.521 3.887 40 0 FHABMO COc1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)n2)C3)cc1 ZINC000096216133 222081505 /nfs/dbraw/zinc/08/15/05/222081505.db2.gz AVXBVSFSBGYLSI-HSZRJFAPSA-N 1 1 365.521 3.887 40 0 FHABMO COc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(C)n2)C3)cc1 ZINC000096216133 222081508 /nfs/dbraw/zinc/08/15/08/222081508.db2.gz AVXBVSFSBGYLSI-HSZRJFAPSA-N 1 1 365.521 3.887 40 0 FHABMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)NC4CCCCC4)C3)C2)n1 ZINC000096216267 222082512 /nfs/dbraw/zinc/08/25/12/222082512.db2.gz GNYBGWLTWHWNRK-JOCHJYFZSA-N 1 1 370.541 3.720 40 0 FHABMO Cc1nc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cs1 ZINC000096220976 222085670 /nfs/dbraw/zinc/08/56/70/222085670.db2.gz RVBKKEJLMGBPLE-FQEVSTJZSA-N 1 1 371.550 3.707 40 0 FHABMO Cc1ccccc1C[N@H+]1CC[C@@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000107248546 222392277 /nfs/dbraw/zinc/39/22/77/222392277.db2.gz PKVOCIQBDCMKIS-HSZRJFAPSA-N 1 1 372.472 3.521 40 0 FHABMO CC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241774 263378578 /nfs/dbraw/zinc/37/85/78/263378578.db2.gz LBMIIHJMILENIC-LJQANCHMSA-N 1 1 365.521 3.533 40 0 FHABMO Cc1ccsc1C[N@@H+]1CC[C@@H](c2nc(C)cc(-c3nccn3C)n2)C1 ZINC000257345025 534472752 /nfs/dbraw/zinc/47/27/52/534472752.db2.gz ZZQAMZOJVNRROD-OAHLLOKOSA-N 1 1 353.495 3.545 40 0 FHABMO CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000020456634 521922356 /nfs/dbraw/zinc/92/23/56/521922356.db2.gz UCAWVMTZIICPPH-INIZCTEOSA-N 1 1 363.461 3.827 40 0 FHABMO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000020490987 523041665 /nfs/dbraw/zinc/04/16/65/523041665.db2.gz DVQKKJLAHZBQCH-PKOBYXMFSA-N 1 1 350.478 3.754 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)Sc1ccccc1 ZINC000020104144 527386830 /nfs/dbraw/zinc/38/68/30/527386830.db2.gz BMDMYQKMOBQHSO-HNNXBMFYSA-N 1 1 351.475 3.978 40 0 FHABMO CC1(C)CC2(CO1)CC[NH+](CC(=O)Nc1ccccc1C(F)(F)F)CC2 ZINC000257293782 528891351 /nfs/dbraw/zinc/89/13/51/528891351.db2.gz QREASJJYTWIJAJ-UHFFFAOYSA-N 1 1 370.415 3.925 40 0 FHABMO CC(C)[N@H+]1CC[C@@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 ZINC000257302909 529072648 /nfs/dbraw/zinc/07/26/48/529072648.db2.gz SEYBDRLQGKSHJD-GFCCVEGCSA-N 1 1 351.376 3.832 40 0 FHABMO CC(C)[C@H](CO)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000329023437 535038343 /nfs/dbraw/zinc/03/83/43/535038343.db2.gz OTJPPXGPJXQYQT-KXBFYZLASA-N 1 1 366.509 3.734 40 0 FHABMO CC(C)[C@H](CO)Nc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]c(C2CC2)n1 ZINC000329023437 535038347 /nfs/dbraw/zinc/03/83/47/535038347.db2.gz OTJPPXGPJXQYQT-KXBFYZLASA-N 1 1 366.509 3.734 40 0 FHABMO COc1ccccc1C[N@H+]1CC[C@H]2COC(=O)N2c2cc(C)ccc2C1 ZINC000225489751 560042480 /nfs/dbraw/zinc/04/24/80/560042480.db2.gz LFIJSYDOHAFSHX-SFHVURJKSA-N 1 1 352.434 3.735 40 0 biogenic,in-vitro FHABMO CC(C)(C)C[N@H+]1CCC[C@H]1c1nc(-c2ccc(-n3ccnc3)nc2)no1 ZINC000035425767 560080689 /nfs/dbraw/zinc/08/06/89/560080689.db2.gz MPXGFVCQYMYNSL-HNNXBMFYSA-N 1 1 352.442 3.500 40 0 biogenic,in-vitro FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 ZINC000216409684 568122258 /nfs/dbraw/zinc/12/22/58/568122258.db2.gz WIBKBZABHXAPFB-KRWDZBQOSA-N 1 1 363.461 3.881 40 0 FHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1(c2ccccc2)CCOCC1 ZINC000222723655 568557038 /nfs/dbraw/zinc/55/70/38/568557038.db2.gz DLKASNGMTPHLJJ-FQEVSTJZSA-N 1 1 358.526 3.506 40 0 FHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)COc1ccc2c(c1)CCCC2 ZINC000222818113 568567084 /nfs/dbraw/zinc/56/70/84/568567084.db2.gz FQFDGTXDNCGGTA-HXUWFJFHSA-N 1 1 358.526 3.715 40 0 FHABMO CCOc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000223306014 568637772 /nfs/dbraw/zinc/63/77/72/568637772.db2.gz QIPDFIBFCZPVNT-UHFFFAOYSA-N 1 1 372.896 3.917 40 0 FHABMO CC(=O)N1CC[C@H]2[C@@H](C1)CCCC[N@H+]2C[C@@]1(O)CC[C@H](C(C)(C)C)CC1 ZINC000585286833 570494459 /nfs/dbraw/zinc/49/44/59/570494459.db2.gz RFWOAHXVAONPIA-JBPLPALLSA-N 1 1 364.574 3.677 40 0 FHABMO COc1ccccc1C[N@@H+](C)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585285608 570494699 /nfs/dbraw/zinc/49/46/99/570494699.db2.gz PLMVOCVZQHQMTE-CEWLAPEOSA-N 1 1 359.441 3.627 40 0 FHABMO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072345953 570538157 /nfs/dbraw/zinc/53/81/57/570538157.db2.gz XNRRKZXLHWVZJW-QGZVFWFLSA-N 1 1 363.440 3.640 40 0 FHABMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000408576666 570561745 /nfs/dbraw/zinc/56/17/45/570561745.db2.gz QICCXSAZMUOXSO-UHFFFAOYSA-N 1 1 370.518 3.587 40 0 FHABMO COc1cc2cccnc2c(NC[C@@](C)(O)C[N@H+]2CCC[C@H](C)[C@H]2C)c1 ZINC000004522441 570594930 /nfs/dbraw/zinc/59/49/30/570594930.db2.gz RDWVATZAASWVFR-GCKMJXCFSA-N 1 1 357.498 3.527 40 0 FHABMO COc1cc2cccnc2c(NC[C@@](C)(O)C[N@H+]2CC[C@H](C)C[C@H]2C)c1 ZINC000004522429 570595184 /nfs/dbraw/zinc/59/51/84/570595184.db2.gz ASNCKFJWFVCYMZ-GCKMJXCFSA-N 1 1 357.498 3.527 40 0 FHABMO CC[NH+]1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc32)CC1 ZINC000035292374 570638758 /nfs/dbraw/zinc/63/87/58/570638758.db2.gz SPHUQMDWFWOOED-UHFFFAOYSA-N 1 1 359.886 3.549 40 0 FHABMO S=C(NC1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000004886042 570672567 /nfs/dbraw/zinc/67/25/67/570672567.db2.gz VUYXYLCAUWDIDR-IHWFROFDSA-N 1 1 357.567 3.979 40 0 FHABMO COc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OCc1ccccc1 ZINC000008373832 570680760 /nfs/dbraw/zinc/68/07/60/570680760.db2.gz AHIVDJKFMMAUNV-UHFFFAOYSA-N 1 1 362.901 3.969 40 0 FHABMO Cc1c2ccccc2[nH]c1C[N@H+]1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1 ZINC000012122449 570720767 /nfs/dbraw/zinc/72/07/67/570720767.db2.gz DZQPKDBGQRXOMW-UHFFFAOYSA-N 1 1 371.444 3.592 40 0 FHABMO Cc1c(-c2ccccc2)n[nH]c1C(=O)NC(C)(C)C[N@@H+]1CCC[C@H](C)C1 ZINC000012143800 570721884 /nfs/dbraw/zinc/72/18/84/570721884.db2.gz WGJISNWLJJQROS-HNNXBMFYSA-N 1 1 354.498 3.625 40 0 FHABMO O=c1cc(-c2ccncc2)nc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)[nH]1 ZINC000012256677 570731421 /nfs/dbraw/zinc/73/14/21/570731421.db2.gz WYKHNBKYDAKDCP-IBGZPJMESA-N 1 1 360.461 3.666 40 0 FHABMO Cc1ccc(C2(O)CC[NH+](Cc3cc4c(c(Cl)c3)OCO4)CC2)cc1 ZINC000012292864 570732393 /nfs/dbraw/zinc/73/23/93/570732393.db2.gz JAUCJWVRPZOEHL-UHFFFAOYSA-N 1 1 359.853 3.861 40 0 FHABMO COc1ccccc1C1(O)CC[NH+](Cc2cnn(C3CCCCC3)c2)CC1 ZINC000012330726 570737140 /nfs/dbraw/zinc/73/71/40/570737140.db2.gz HBXNHKWVWAQGDC-UHFFFAOYSA-N 1 1 369.509 3.881 40 0 FHABMO COc1ccc2[nH]c(C[N@@H+](C)Cc3ccccc3N3CCOCC3)cc2c1 ZINC000019715807 570899932 /nfs/dbraw/zinc/89/99/32/570899932.db2.gz FKSWXLLHLLVLAL-UHFFFAOYSA-N 1 1 365.477 3.645 40 0 FHABMO COc1cccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2C)c1 ZINC000225449080 571036043 /nfs/dbraw/zinc/03/60/43/571036043.db2.gz WIAGPBQUCFALFO-UHFFFAOYSA-N 1 1 352.463 3.676 40 0 FHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(OC)c(OC)c1 ZINC000225581237 571047048 /nfs/dbraw/zinc/04/70/48/571047048.db2.gz ANBDSRVIBSHBDZ-INIZCTEOSA-N 1 1 365.543 3.645 40 0 FHABMO CC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225602292 571048563 /nfs/dbraw/zinc/04/85/63/571048563.db2.gz WRXUPVWGGBHFQZ-LLGFUMIMSA-N 1 1 362.514 3.797 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1ccc(Cl)c(C)c1 ZINC000044904371 571104491 /nfs/dbraw/zinc/10/44/91/571104491.db2.gz BMAMVLFSTPJGNT-UHFFFAOYSA-N 1 1 369.852 3.838 40 0 FHABMO O=C(NCCCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044909243 571104576 /nfs/dbraw/zinc/10/45/76/571104576.db2.gz RGFDQPPVZJDRQU-HXUWFJFHSA-N 1 1 354.469 3.787 40 0 FHABMO CCOc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044919759 571104863 /nfs/dbraw/zinc/10/48/63/571104863.db2.gz IYXYOKWPJXPRAG-LJQANCHMSA-N 1 1 370.468 3.753 40 0 FHABMO CC[NH+]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000052929838 571112116 /nfs/dbraw/zinc/11/21/16/571112116.db2.gz FXUJJLMGHITUBS-UHFFFAOYSA-N 1 1 361.445 3.786 40 0 FHABMO Clc1nnc2c(C[N@H+](Cc3ccccc3)C[C@H]3CCCO3)c[nH]cc1-2 ZINC000057811025 571122915 /nfs/dbraw/zinc/12/29/15/571122915.db2.gz SVOGFUOETIBZJE-MRXNPFEDSA-N 1 1 356.857 3.793 40 0 FHABMO O=C(NC[C@H]1CCCO1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000260825757 571123899 /nfs/dbraw/zinc/12/38/99/571123899.db2.gz JVHHHDIRSFGLHS-UONOGXRCSA-N 1 1 371.308 3.501 40 0 FHABMO O=C(NC[C@H]1CCCO1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000260825757 571123902 /nfs/dbraw/zinc/12/39/02/571123902.db2.gz JVHHHDIRSFGLHS-UONOGXRCSA-N 1 1 371.308 3.501 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)o1 ZINC000248100143 571127895 /nfs/dbraw/zinc/12/78/95/571127895.db2.gz NRNMFJVMMBDKMM-SFTDATJTSA-N 1 1 356.466 3.571 40 0 FHABMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000181813030 571149676 /nfs/dbraw/zinc/14/96/76/571149676.db2.gz UPLPDHQXPWLKSO-KGLIPLIRSA-N 1 1 360.424 3.733 40 0 FHABMO Cc1c(C)n(CCC(=O)N2CC[C@H]3[C@@H]2CCCC[N@@H+]3C)c2ccccc12 ZINC000257320223 571161654 /nfs/dbraw/zinc/16/16/54/571161654.db2.gz VVVPOEPWPDPVIC-SFTDATJTSA-N 1 1 353.510 3.733 40 0 FHABMO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000072330690 571178656 /nfs/dbraw/zinc/17/86/56/571178656.db2.gz YOKNWZCYBZJTLN-BJLQDIEVSA-N 1 1 358.482 3.724 40 0 FHABMO O=C(C1CCCC1)N1C[C@@H]2CCCC[N@@H+](CCOc3ccccc3)[C@@H]2C1 ZINC000072330642 571178684 /nfs/dbraw/zinc/17/86/84/571178684.db2.gz XDXWRNMGJYXQJG-PZJWPPBQSA-N 1 1 356.510 3.569 40 0 FHABMO Cc1cc2nc([C@H]3CCC[N@H+](CC[C@@H](C)c4ccccc4)C3)cc(N)n2n1 ZINC000072339791 571179093 /nfs/dbraw/zinc/17/90/93/571179093.db2.gz UVGASQWPSILMPX-APWZRJJASA-N 1 1 363.509 3.993 40 0 FHABMO CCCn1ncc(C[N@H+]2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)c1C ZINC000072340443 571179182 /nfs/dbraw/zinc/17/91/82/571179182.db2.gz WQBSKAJHYXKTIA-WTOYTKOKSA-N 1 1 371.500 3.860 40 0 FHABMO Cc1ccc([C@@H](C)CC[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)o1 ZINC000072339829 571179294 /nfs/dbraw/zinc/17/92/94/571179294.db2.gz HJGUWYQNISKYNZ-AWEZNQCLSA-N 1 1 364.449 3.698 40 0 FHABMO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072345945 571180006 /nfs/dbraw/zinc/18/00/06/571180006.db2.gz IJWSPPVTEOHGSZ-KRWDZBQOSA-N 1 1 363.440 3.640 40 0 FHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072348749 571180238 /nfs/dbraw/zinc/18/02/38/571180238.db2.gz RXHBNKHXQKAGEX-SFHVURJKSA-N 1 1 369.484 3.936 40 0 FHABMO NC(=O)c1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348933 571180650 /nfs/dbraw/zinc/18/06/50/571180650.db2.gz PXOOERRVDHRICJ-IBGZPJMESA-N 1 1 372.472 3.622 40 0 FHABMO CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357642 571182669 /nfs/dbraw/zinc/18/26/69/571182669.db2.gz KHJWJGIVBZWJJZ-NRFANRHFSA-N 1 1 369.484 3.817 40 0 FHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357642 571182670 /nfs/dbraw/zinc/18/26/70/571182670.db2.gz KHJWJGIVBZWJJZ-NRFANRHFSA-N 1 1 369.484 3.817 40 0 FHABMO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357641 571182765 /nfs/dbraw/zinc/18/27/65/571182765.db2.gz KHJWJGIVBZWJJZ-OAQYLSRUSA-N 1 1 369.484 3.817 40 0 FHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072357641 571182766 /nfs/dbraw/zinc/18/27/66/571182766.db2.gz KHJWJGIVBZWJJZ-OAQYLSRUSA-N 1 1 369.484 3.817 40 0 FHABMO Fc1ccccc1Oc1nccnc1[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000072362851 571184848 /nfs/dbraw/zinc/18/48/48/571184848.db2.gz RPLBQBYSCQGUDZ-HNNXBMFYSA-N 1 1 357.429 3.766 40 0 FHABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377423 571186041 /nfs/dbraw/zinc/18/60/41/571186041.db2.gz HFLVOVGDAWMXSC-MRXNPFEDSA-N 1 1 364.428 3.529 40 0 FHABMO c1cnc(Nc2nccc([C@@H]3CCC[N@H+](CC4CCCCC4)C3)n2)cn1 ZINC000072377848 571186411 /nfs/dbraw/zinc/18/64/11/571186411.db2.gz MGMGUIHCZMYSPE-QGZVFWFLSA-N 1 1 352.486 3.770 40 0 FHABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000072378854 571187463 /nfs/dbraw/zinc/18/74/63/571187463.db2.gz QERHSYQMAQBOAL-KRWDZBQOSA-N 1 1 364.424 3.735 40 0 FHABMO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H](C)C4)C3)CC2)cc1 ZINC000585104806 571224150 /nfs/dbraw/zinc/22/41/50/571224150.db2.gz SXELTGKCEFUTEE-FPOVZHCZSA-N 1 1 370.537 3.738 40 0 FHABMO CC[C@H](C)C[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 ZINC000585109680 571224948 /nfs/dbraw/zinc/22/49/48/571224948.db2.gz IFRIHVHWOUJJNP-NGXQKHRBSA-N 1 1 370.537 3.736 40 0 FHABMO CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@H]3C2)cc1 ZINC000247902110 571290903 /nfs/dbraw/zinc/29/09/03/571290903.db2.gz BEHBBQOBFMKGLB-HSQYWUDLSA-N 1 1 368.452 3.514 40 0 FHABMO Cc1ccc([C@H](NC(=O)CC[N@@H+]2CCCC[C@H]2C)c2cccnc2)cc1 ZINC000019136634 571303812 /nfs/dbraw/zinc/30/38/12/571303812.db2.gz DSPBPKLMHZTKCQ-GCJKJVERSA-N 1 1 351.494 3.860 40 0 FHABMO CC(C)c1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4ncc[nH]4)C3)n[nH]2)cc1 ZINC000019704655 571304469 /nfs/dbraw/zinc/30/44/69/571304469.db2.gz 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C[C@@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013709127 211049978 /nfs/dbraw/zinc/04/99/78/211049978.db2.gz CCUXJNKNFINVOS-LJQANCHMSA-N 1 1 374.484 3.952 40 0 FHABMO Cc1cc2oc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc(=O)c2cc1C ZINC000012205114 210929556 /nfs/dbraw/zinc/92/95/56/210929556.db2.gz VIAKKOUCRUKDOC-GASCZTMLSA-N 1 1 370.493 3.508 40 0 FHABMO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1cncc(-c2c(C)noc2C)n1 ZINC000257325473 533089269 /nfs/dbraw/zinc/08/92/69/533089269.db2.gz WTBBOIQXWMWDIV-GOSISDBHSA-N 1 1 364.453 3.522 40 0 FHABMO CNc1ncccc1C[N@H+]1CCC[C@@H]1c1cncc(-c2c(C)noc2C)n1 ZINC000257325473 533089271 /nfs/dbraw/zinc/08/92/71/533089271.db2.gz WTBBOIQXWMWDIV-GOSISDBHSA-N 1 1 364.453 3.522 40 0 FHABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NC(C)C)[nH+]c(C3CC3)n1)C2 ZINC000329003897 132372364 /nfs/dbraw/zinc/37/23/64/132372364.db2.gz KPEDRCBWOSJMKZ-UHFFFAOYSA-N 1 1 366.465 3.524 40 0 FHABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NC(C)C)nc(C3CC3)[nH+]1)C2 ZINC000329003897 132372365 /nfs/dbraw/zinc/37/23/65/132372365.db2.gz KPEDRCBWOSJMKZ-UHFFFAOYSA-N 1 1 366.465 3.524 40 0 FHABMO COc1ccc(C[C@H]2C[N@H+](C3CCOCC3)CC[C@@H]2OCC2CC2)cc1 ZINC000096110618 222027665 /nfs/dbraw/zinc/02/76/65/222027665.db2.gz HSUGCFNRWYWJQA-UGKGYDQZSA-N 1 1 359.510 3.534 40 0 FHABMO Cc1ncsc1C[N@H+]1C[C@H]2CCC[C@@]2(COCc2cccc(C)n2)C1 ZINC000096109300 222028351 /nfs/dbraw/zinc/02/83/51/222028351.db2.gz UKAWZHMLXFDNLY-XLIONFOSSA-N 1 1 357.523 3.974 40 0 FHABMO Cc1ccc(C[N@H+]2C[C@@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)s1 ZINC000096052256 222003295 /nfs/dbraw/zinc/00/32/95/222003295.db2.gz NSGYEQMYCRFHSG-IBGZPJMESA-N 1 1 370.518 3.924 40 0 FHABMO Cc1ccccc1C[N@H+]1CCC[C@]12CCCN(C(=O)c1cscn1)C2 ZINC000096071333 222012700 /nfs/dbraw/zinc/01/27/00/222012700.db2.gz JXIDFLMTHTZPRZ-FQEVSTJZSA-N 1 1 355.507 3.722 40 0 FHABMO CCCc1ccc(C(=O)N2Cc3c(C[NH+]4CCCCC4)nn(C)c3C2)cc1 ZINC000096084516 222018025 /nfs/dbraw/zinc/01/80/25/222018025.db2.gz QUHOMIDRMWLXEX-UHFFFAOYSA-N 1 1 366.509 3.515 40 0 FHABMO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH+](Cc1nccs1)CC2 ZINC000096100266 222022890 /nfs/dbraw/zinc/02/28/90/222022890.db2.gz PLTKICKUPOMMSF-LJQANCHMSA-N 1 1 367.518 3.719 40 0 FHABMO COc1ccc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)cc1 ZINC000096239577 222094360 /nfs/dbraw/zinc/09/43/60/222094360.db2.gz QKWMQDSSHPCFBK-FQEVSTJZSA-N 1 1 373.447 3.828 40 0 FHABMO CCc1cccc(NC(=O)N2Cc3c(C[NH+]4CCCCC4)nn(C)c3C2)c1 ZINC000096259138 222102978 /nfs/dbraw/zinc/10/29/78/222102978.db2.gz SUPWRCHQFOIAQB-UHFFFAOYSA-N 1 1 367.497 3.516 40 0 FHABMO CCOC[C@H]1C[N@H+](Cc2cccnc2)Cc2cnn(CC3CCCC3)c21 ZINC000096198446 222073667 /nfs/dbraw/zinc/07/36/67/222073667.db2.gz ZREJVDJQZRQGNZ-HXUWFJFHSA-N 1 1 354.498 3.604 40 0 FHABMO CCOC[C@H]1C[N@@H+](Cc2cccnc2)Cc2cnn(CC3CCCC3)c21 ZINC000096198446 222073670 /nfs/dbraw/zinc/07/36/70/222073670.db2.gz ZREJVDJQZRQGNZ-HXUWFJFHSA-N 1 1 354.498 3.604 40 0 FHABMO CCOC[C@@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)[N@H+]1CC1CC1 ZINC000096207497 222075968 /nfs/dbraw/zinc/07/59/68/222075968.db2.gz JDYNFKAPEIPBCC-FQEVSTJZSA-N 1 1 356.510 3.572 40 0 FHABMO CC[C@H](C)NC(=O)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241776 263378546 /nfs/dbraw/zinc/37/85/46/263378546.db2.gz LBMIIHJMILENIC-IBGZPJMESA-N 1 1 365.521 3.533 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCCOc1ccc(C)cc1 ZINC000020488002 527384648 /nfs/dbraw/zinc/38/46/48/527384648.db2.gz WPKPAUZNEOTNBY-UHFFFAOYSA-N 1 1 363.461 3.965 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Sc1ccccc1 ZINC000020104142 527385366 /nfs/dbraw/zinc/38/53/66/527385366.db2.gz BMDMYQKMOBQHSO-OAHLLOKOSA-N 1 1 351.475 3.978 40 0 FHABMO CCNc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]c(C2CC2)n1 ZINC000328997264 535522712 /nfs/dbraw/zinc/52/27/12/535522712.db2.gz JNHMPYLNWBKJRJ-UHFFFAOYSA-N 1 1 352.482 3.576 40 0 FHABMO C[NH+](C)Cc1cc(C[C@@H]2C[C@H](NC(=O)Nc3ccccc3)C2(C)C)no1 ZINC000067889791 560050235 /nfs/dbraw/zinc/05/02/35/560050235.db2.gz HJZWZUQOWDRDNZ-KDOFPFPSSA-N 1 1 356.470 3.515 40 0 biogenic,in-vitro FHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1(c2ccccc2)CCOCC1 ZINC000222723585 568556989 /nfs/dbraw/zinc/55/69/89/568556989.db2.gz DLKASNGMTPHLJJ-HXUWFJFHSA-N 1 1 358.526 3.506 40 0 FHABMO CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000222950632 568581473 /nfs/dbraw/zinc/58/14/73/568581473.db2.gz VODMYTXPRVQDQW-OAQYLSRUSA-N 1 1 366.505 3.805 40 0 FHABMO CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000222950693 568581508 /nfs/dbraw/zinc/58/15/08/568581508.db2.gz VODMYTXPRVQDQW-NRFANRHFSA-N 1 1 366.505 3.805 40 0 FHABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000223101559 568610968 /nfs/dbraw/zinc/61/09/68/568610968.db2.gz UOROMBWGRUDLMY-UHFFFAOYSA-N 1 1 358.869 3.697 40 0 FHABMO O[C@@H](C[NH+]1CCN(c2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 ZINC000026441528 568657789 /nfs/dbraw/zinc/65/77/89/568657789.db2.gz KCMCTUQIAHNAGF-KRWDZBQOSA-N 1 1 373.909 3.805 40 0 FHABMO COc1ccc(C[N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)cc1 ZINC000096048744 570474301 /nfs/dbraw/zinc/47/43/01/570474301.db2.gz VPVSLOVRFGSBBG-FQEVSTJZSA-N 1 1 356.491 3.776 40 0 FHABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccc(C)n4)C3=O)C2)s1 ZINC000096048795 570474553 /nfs/dbraw/zinc/47/45/53/570474553.db2.gz XZYSRVGFOWHWTN-OAQYLSRUSA-N 1 1 369.534 3.775 40 0 FHABMO Cc1cc(N2CCOCC2)[nH+]cc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072219428 570534811 /nfs/dbraw/zinc/53/48/11/570534811.db2.gz FTURTYIVCOTOHP-KRWDZBQOSA-N 1 1 361.486 3.689 40 0 FHABMO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072345970 570538066 /nfs/dbraw/zinc/53/80/66/570538066.db2.gz JPHDDEAOKQYZHE-INIZCTEOSA-N 1 1 363.440 3.640 40 0 FHABMO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044933203 570539283 /nfs/dbraw/zinc/53/92/83/570539283.db2.gz CQWZUCZOPYPKQP-LPHOPBHVSA-N 1 1 370.468 3.924 40 0 FHABMO CC(=O)[C@H]1[C@H]([NH+]2CC2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004759010 570605817 /nfs/dbraw/zinc/60/58/17/570605817.db2.gz YKAAPHAUSMBTTG-LXGBQXIBSA-N 1 1 357.538 3.809 40 0 FHABMO COc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccco2)c1 ZINC000004883350 570672325 /nfs/dbraw/zinc/67/23/25/570672325.db2.gz FHNPRHRFEKDWLJ-AYHJJNSGSA-N 1 1 369.465 3.995 40 0 FHABMO O[C@@H]1CC[N@@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)[C@H]2CCCC[C@H]12 ZINC000036741428 570698296 /nfs/dbraw/zinc/69/82/96/570698296.db2.gz UHNBMDICIJZVPS-KANFNMMFSA-N 1 1 355.482 3.540 40 0 FHABMO CCn1c2ccccc2c2cc(C[N@H+]3CCc4nc(C)[nH]c(=O)c4C3)ccc21 ZINC000012117854 570720099 /nfs/dbraw/zinc/72/00/99/570720099.db2.gz AKHVLNUZDHDWIE-UHFFFAOYSA-N 1 1 372.472 3.764 40 0 FHABMO C[C@@H]1Cc2cc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3ccccn3)ccc2O1 ZINC000012135207 570721213 /nfs/dbraw/zinc/72/12/13/570721213.db2.gz GTPPEZDUZPHZMZ-WHPUMZMWSA-N 1 1 364.489 3.525 40 0 FHABMO Cc1ccc(C[N@@H+](Cc2cccn2-c2ccc(C)cn2)C[C@@H](C)O)s1 ZINC000012147976 570723126 /nfs/dbraw/zinc/72/31/26/570723126.db2.gz QBYMVZVVJJSUQW-MRXNPFEDSA-N 1 1 355.507 3.934 40 0 FHABMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CSc2nccc3ccccc32)C1 ZINC000012148561 570723502 /nfs/dbraw/zinc/72/35/02/570723502.db2.gz NOHCKYNWPQTKGP-INIZCTEOSA-N 1 1 357.523 3.564 40 0 FHABMO CSc1ccc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc1 ZINC000012667483 570756329 /nfs/dbraw/zinc/75/63/29/570756329.db2.gz DSWBONLFJHBUBU-MRXNPFEDSA-N 1 1 367.522 3.721 40 0 FHABMO O=C(/C=C/c1ccccc1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882132 571044576 /nfs/dbraw/zinc/04/45/76/571044576.db2.gz HVGUTWYQJGCEBT-MDZDMXLPSA-N 1 1 370.880 3.502 40 0 FHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000225813540 571069305 /nfs/dbraw/zinc/06/93/05/571069305.db2.gz DLVIPRLTFXCAKK-INIZCTEOSA-N 1 1 372.431 3.855 40 0 FHABMO Cc1nc2sccn2c1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000036740123 571081380 /nfs/dbraw/zinc/08/13/80/571081380.db2.gz YUKHSZMRBPBAKK-OALUTQOASA-N 1 1 366.534 3.596 40 0 FHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1 ZINC000044932269 571104716 /nfs/dbraw/zinc/10/47/16/571104716.db2.gz KYQNHXNHZHOPRE-UHFFFAOYSA-N 1 1 363.461 3.957 40 0 FHABMO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044933199 571105006 /nfs/dbraw/zinc/10/50/06/571105006.db2.gz CQWZUCZOPYPKQP-QFBILLFUSA-N 1 1 370.468 3.924 40 0 FHABMO Cc1cncc(CO[C@H]2CCOC3(C[NH+](Cc4ccccc4C)C3)C2)c1 ZINC000253602372 571139195 /nfs/dbraw/zinc/13/91/95/571139195.db2.gz AGBOFALXEHKNPP-NRFANRHFSA-N 1 1 352.478 3.649 40 0 FHABMO CCCc1ncc(C[N@H+]2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cn1 ZINC000072340449 571179171 /nfs/dbraw/zinc/17/91/71/571179171.db2.gz AOMHEQYOLXBIKC-WEYGHZABSA-N 1 1 369.484 3.688 40 0 FHABMO CCc1nccn1-c1nccnc1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072350545 571181651 /nfs/dbraw/zinc/18/16/51/571181651.db2.gz CZRIIIKNHOJOKC-IBGZPJMESA-N 1 1 361.493 3.647 40 0 FHABMO Cc1c(C[N@H+]2CCC[C@@H]2c2ccc(Nc3cccc(C)n3)cn2)cnn1C ZINC000072353081 571181971 /nfs/dbraw/zinc/18/19/71/571181971.db2.gz NWWJANNLCYBHJW-HXUWFJFHSA-N 1 1 362.481 3.908 40 0 FHABMO Cc1nc(-c2cncnc2[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)no1 ZINC000072356141 571182801 /nfs/dbraw/zinc/18/28/01/571182801.db2.gz TXPWXSDWKRSUOV-GOSISDBHSA-N 1 1 363.465 3.647 40 0 FHABMO COc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)c1 ZINC000072358617 571183651 /nfs/dbraw/zinc/18/36/51/571183651.db2.gz GBJJGZLSGLXKLZ-GOSISDBHSA-N 1 1 360.461 3.927 40 0 FHABMO Cc1cc(Nc2ccccn2)nc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072359986 571184167 /nfs/dbraw/zinc/18/41/67/571184167.db2.gz XLSYPWKYYWBLLZ-SFHVURJKSA-N 1 1 360.465 3.698 40 0 FHABMO Cc1ccc(OC[C@@H](O)C[N@@H+](CCO)Cc2ccccc2)c(C(C)(C)C)c1 ZINC000027531059 571184772 /nfs/dbraw/zinc/18/47/72/571184772.db2.gz IKQSZGYUGSPOJM-FQEVSTJZSA-N 1 1 371.521 3.527 40 0 FHABMO Cn1cncc1C[N@@H+]1CCC[C@@H](c2cncc(Oc3ccccc3F)n2)C1 ZINC000072363162 571184824 /nfs/dbraw/zinc/18/48/24/571184824.db2.gz DGLWNRKGSVBOTC-OAHLLOKOSA-N 1 1 367.428 3.521 40 0 FHABMO Cn1cncc1C[N@H+]1CCC[C@@H](c2cncc(Oc3ccccc3F)n2)C1 ZINC000072363162 571184827 /nfs/dbraw/zinc/18/48/27/571184827.db2.gz DGLWNRKGSVBOTC-OAHLLOKOSA-N 1 1 367.428 3.521 40 0 FHABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)C[C@H]1C=CCC1 ZINC000257257911 571204553 /nfs/dbraw/zinc/20/45/53/571204553.db2.gz KRPCGJGUTDFNKL-FHWLQOOXSA-N 1 1 372.557 3.570 40 0 FHABMO c1csc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306123053 571212841 /nfs/dbraw/zinc/21/28/41/571212841.db2.gz ADMHQNACDXMBAO-QGZVFWFLSA-N 1 1 361.474 3.842 40 0 FHABMO Cc1ncc(C[N@@H+]2CC[C@@]23CCCN(C(=O)C2(C)CCCCC2)C3)s1 ZINC000585101735 571222077 /nfs/dbraw/zinc/22/20/77/571222077.db2.gz CJHKZLXHBGQSEW-HXUWFJFHSA-N 1 1 361.555 3.989 40 0 FHABMO Cc1ncc(C[N@H+]2CC[C@@]23CCCN(C(=O)C2(C)CCCCC2)C3)s1 ZINC000585101735 571222078 /nfs/dbraw/zinc/22/20/78/571222078.db2.gz CJHKZLXHBGQSEW-HXUWFJFHSA-N 1 1 361.555 3.989 40 0 FHABMO Cc1noc(C)c1C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccc(C)cc1C)C2 ZINC000585102120 571222179 /nfs/dbraw/zinc/22/21/79/571222179.db2.gz SKPDIKFNDCYGDW-JOCHJYFZSA-N 1 1 367.493 3.789 40 0 FHABMO Cc1noc(C)c1C[N@H+]1CC[C@@]12CCCN(C(=O)c1ccc(C)cc1C)C2 ZINC000585102120 571222182 /nfs/dbraw/zinc/22/21/82/571222182.db2.gz SKPDIKFNDCYGDW-JOCHJYFZSA-N 1 1 367.493 3.789 40 0 FHABMO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CC[N@H+]2C[C@H]2CCCO2)C1 ZINC000585102219 571222457 /nfs/dbraw/zinc/22/24/57/571222457.db2.gz ULWIPTDSVMSXMI-VGSWGCGISA-N 1 1 374.525 3.745 40 0 FHABMO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000585109847 571225159 /nfs/dbraw/zinc/22/51/59/571225159.db2.gz ZYYIHKGVTFJUNV-JAXLGGSGSA-N 1 1 373.456 3.683 40 0 FHABMO c1c[nH]c(-c2cc(C[C@H]3CCC[N@@H+](Cc4ccc5cc[nH]c5c4)C3)ncn2)n1 ZINC000585182532 571238125 /nfs/dbraw/zinc/23/81/25/571238125.db2.gz FJYXYLDXQSVDRH-MRXNPFEDSA-N 1 1 372.476 3.803 40 0 FHABMO O[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cccc(-c3ccccn3)c2)CC1 ZINC000128996959 571275400 /nfs/dbraw/zinc/27/54/00/571275400.db2.gz YWQUXMSTEZTNGD-GOTSBHOMSA-N 1 1 365.521 3.606 40 0 FHABMO COc1ccc(Cl)cc1C(=O)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238864399 571281743 /nfs/dbraw/zinc/28/17/43/571281743.db2.gz LKVCESYFNUNTFH-SFHVURJKSA-N 1 1 370.880 3.621 40 0 FHABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C1CC1 ZINC000019348937 571303818 /nfs/dbraw/zinc/30/38/18/571303818.db2.gz YKWLJDCNBGOAHX-WIYYLYMNSA-N 1 1 367.468 3.700 40 0 FHABMO C[C@H](Cc1ccc(F)cc1)[N@H+]1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019456789 571303954 /nfs/dbraw/zinc/30/39/54/571303954.db2.gz CCWNOGYVXNWTQL-ZHRRBRCNSA-N 1 1 352.453 3.577 40 0 FHABMO Fc1ccc(C[N@H+]2CC[C@]3(CN(Cc4ccccn4)c4cccnc43)C2)cc1 ZINC000306140705 210057040 /nfs/dbraw/zinc/05/70/40/210057040.db2.gz VBKMQAQLEJQTML-HSZRJFAPSA-N 1 1 374.463 3.780 40 0 FHABMO Fc1ccc(C[N@H+]2C[C@@H]3Cc4cnc(NCc5ccccc5)nc4[C@@H]3C2)cc1 ZINC000306133503 210053626 /nfs/dbraw/zinc/05/36/26/210053626.db2.gz MNHVZYJNBPGKFF-PZJWPPBQSA-N 1 1 374.463 4.000 40 0 FHABMO Fc1ccc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306132422 210054630 /nfs/dbraw/zinc/05/46/30/210054630.db2.gz LIDAXTKCRXMPSD-LJQANCHMSA-N 1 1 373.435 3.920 40 0 FHABMO COc1ccc(-c2[nH+]c3c(C)cccn3c2NC[C@H]2CCCO2)c(OC)c1 ZINC000000883884 219337143 /nfs/dbraw/zinc/33/71/43/219337143.db2.gz OBLLRZJGFZSMQM-MRXNPFEDSA-N 1 1 367.449 3.918 40 0 FHABMO COc1ccc(-c2[nH+]c3cccc(C)n3c2NC[C@@H]2CCCO2)cc1O ZINC000000904113 219339363 /nfs/dbraw/zinc/33/93/63/219339363.db2.gz ZVBLWCAXKMINSL-HNNXBMFYSA-N 1 1 353.422 3.615 40 0 FHABMO COc1cccc(C[N@H+]2CC[C@H]3COC(=O)N3c3cc(F)ccc3C2)c1 ZINC000225486719 222844851 /nfs/dbraw/zinc/84/48/51/222844851.db2.gz SFDUWZJEXLZKIT-KRWDZBQOSA-N 1 1 356.397 3.565 40 0 biogenic,in-vitro FHABMO CCO[C@](C)(CC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225650388 222857935 /nfs/dbraw/zinc/85/79/35/222857935.db2.gz BFBBFILPLDMGKM-DYESRHJHSA-N 1 1 362.514 3.941 40 0 FHABMO Cc1ncsc1C[N@@H+]1CCC[C@H](c2cccc(-c3cncn3C)n2)C1 ZINC000257206888 223018699 /nfs/dbraw/zinc/01/86/99/223018699.db2.gz BFILSKSXRUAUTI-HNNXBMFYSA-N 1 1 353.495 3.627 40 0 FHABMO Cc1cccc(Nc2cc([C@@H]3CCC[N@H+](Cc4cn(C)cn4)C3)ccn2)n1 ZINC000257222962 223026903 /nfs/dbraw/zinc/02/69/03/223026903.db2.gz DVHMWZFMCSGWSL-GOSISDBHSA-N 1 1 362.481 3.642 40 0 FHABMO Oc1cccc2c1OC1(CC[NH+](Cc3cncs3)CC1)[C@H]1CCCO[C@H]21 ZINC000257245792 223035536 /nfs/dbraw/zinc/03/55/36/223035536.db2.gz IRCLUNWCOVJOTL-FUHWJXTLSA-N 1 1 372.490 3.744 40 0 FHABMO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000257254354 223039132 /nfs/dbraw/zinc/03/91/32/223039132.db2.gz KCRUKJSUGXUECT-INIZCTEOSA-N 1 1 351.429 3.694 40 0 FHABMO C[C@]1(c2ncc(Cc3ccccc3F)o2)CCC[N@@H+](Cc2cnccn2)C1 ZINC000257288904 223052473 /nfs/dbraw/zinc/05/24/73/223052473.db2.gz PWDYDRDACASADI-NRFANRHFSA-N 1 1 366.440 3.748 40 0 FHABMO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@@H+](Cc3ccnc(C)n3)C2)nc1 ZINC000257318912 223064305 /nfs/dbraw/zinc/06/43/05/223064305.db2.gz VPYCXBQLSHAOLA-GOSISDBHSA-N 1 1 363.465 3.831 40 0 FHABMO c1c[nH]c(-c2cncc(C[C@H]3CCC[N@@H+](Cc4ccc5cc[nH]c5c4)C3)n2)n1 ZINC000257322768 223065855 /nfs/dbraw/zinc/06/58/55/223065855.db2.gz WHIJFJAYSRFRRR-MRXNPFEDSA-N 1 1 372.476 3.803 40 0 FHABMO CCn1cc(C[NH+]2CC3(C2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)cn1 ZINC000257325757 223066576 /nfs/dbraw/zinc/06/65/76/223066576.db2.gz WUGZXXVJTLRSRR-AZUAARDMSA-N 1 1 367.493 3.654 40 0 FHABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]1c1ccnc(Nc2ccccn2)c1 ZINC000257343752 223073684 /nfs/dbraw/zinc/07/36/84/223073684.db2.gz ZUGRSVJKTVIBIP-IBGZPJMESA-N 1 1 362.481 3.908 40 0 FHABMO COc1ccccc1C[NH2+]Cc1cc2cc3c(cc2nc1Cl)OCO3 ZINC000013535432 220072198 /nfs/dbraw/zinc/07/21/98/220072198.db2.gz ZXPCAFMCKNLEQJ-UHFFFAOYSA-N 1 1 356.809 3.915 40 0 FHABMO COc1ccc(C[N@@H+](Cc2ccccc2OC)C[C@H]2CCCO2)cc1O ZINC000013995131 220101797 /nfs/dbraw/zinc/10/17/97/220101797.db2.gz CNYLXBUZVNRDNW-GOSISDBHSA-N 1 1 357.450 3.591 40 0 FHABMO COc1ccc(C[N@H+](Cc2ccccc2OC)C[C@H]2CCCO2)cc1O ZINC000013995131 220101799 /nfs/dbraw/zinc/10/17/99/220101799.db2.gz CNYLXBUZVNRDNW-GOSISDBHSA-N 1 1 357.450 3.591 40 0 FHABMO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3c[nH]c4ccccc34)n2)c1 ZINC000015674381 220158861 /nfs/dbraw/zinc/15/88/61/220158861.db2.gz SVWBGUMIULGFEO-XLIONFOSSA-N 1 1 374.444 3.834 40 0 biogenic,in-vitro FHABMO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3c[nH]c4ccccc34)n2)c1 ZINC000015674381 220158864 /nfs/dbraw/zinc/15/88/64/220158864.db2.gz SVWBGUMIULGFEO-XLIONFOSSA-N 1 1 374.444 3.834 40 0 biogenic,in-vitro FHABMO COc1ccc(C[NH2+]C2(Cc3cc(-c4ccc(F)cc4)on3)COC2)cc1 ZINC000067897856 211272461 /nfs/dbraw/zinc/27/24/61/211272461.db2.gz SVQWLZTYVWASOY-UHFFFAOYSA-N 1 1 368.408 3.591 40 0 biogenic,in-vitro FHABMO COCCC[N@@H+](Cc1ccccn1)Cc1ccc2cc(OC)ccc2n1 ZINC000019593277 211241113 /nfs/dbraw/zinc/24/11/13/211241113.db2.gz PWRLHSDUJVBGDJ-UHFFFAOYSA-N 1 1 351.450 3.677 40 0 FHABMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)c1n[nH]c2c1CCC2 ZINC000019717945 211249048 /nfs/dbraw/zinc/24/90/48/211249048.db2.gz INCGCYAGGRECCG-UHFFFAOYSA-N 1 1 358.445 3.667 40 0 FHABMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)c1n[nH]c2c1CCC2 ZINC000019717945 211249052 /nfs/dbraw/zinc/24/90/52/211249052.db2.gz INCGCYAGGRECCG-UHFFFAOYSA-N 1 1 358.445 3.667 40 0 FHABMO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC000019406580 211222252 /nfs/dbraw/zinc/22/22/52/211222252.db2.gz HVIMZCLWEIHPDS-UFYCRDLUSA-N 1 1 358.551 3.965 40 0 FHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1c(C)nn(C(C)C)c1C)Cc1ccccn1 ZINC000019527149 211228579 /nfs/dbraw/zinc/22/85/79/211228579.db2.gz BBBMHGMCHNMNIY-OAQYLSRUSA-N 1 1 369.557 3.962 40 0 FHABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000019523601 211228177 /nfs/dbraw/zinc/22/81/77/211228177.db2.gz CXGNNXJDUUECJS-CYBMUJFWSA-N 1 1 372.469 3.907 40 0 FHABMO C[C@H]1CN(CCOC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C(C)(C)C ZINC000019365091 211219290 /nfs/dbraw/zinc/21/92/90/211219290.db2.gz UMQSCSIFZSHZAJ-AWEZNQCLSA-N 1 1 353.894 3.693 40 0 FHABMO O=c1cc([C@@H]2CCCC[N@H+]2Cc2cccs2)nc(-c2ccncc2)[nH]1 ZINC000019343479 211216539 /nfs/dbraw/zinc/21/65/39/211216539.db2.gz OCLWFEXEIUTSCV-KRWDZBQOSA-N 1 1 352.463 3.621 40 0 FHABMO CCC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C/C1=C\C(=O)OCC ZINC000017061365 211175819 /nfs/dbraw/zinc/17/58/19/211175819.db2.gz LFZYBLRISRNIIY-ULPJZJLVSA-N 1 1 373.493 3.913 40 0 FHABMO CC[NH+](CC)CCNCc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000022107715 220376969 /nfs/dbraw/zinc/37/69/69/220376969.db2.gz QZWXDLMPDGYUIR-UHFFFAOYSA-N 1 1 356.510 3.748 40 0 FHABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4F)C3)o2)cc1 ZINC000049170201 221020856 /nfs/dbraw/zinc/02/08/56/221020856.db2.gz XEBXAAGPMUKSKL-KRWDZBQOSA-N 1 1 366.440 3.931 40 0 biogenic,in-vitro FHABMO COc1cc2c(cc1OC)CN(c1cc[nH+]c(NC3CCCCC3)n1)CC2 ZINC000244505904 132249905 /nfs/dbraw/zinc/24/99/05/132249905.db2.gz ZLKZXLPFFJFPLC-UHFFFAOYSA-N 1 1 368.481 3.801 40 0 FHABMO CNc1cc(N2CCc3cc(Br)ccc3C2)[nH+]c(C2CC2)n1 ZINC000328978441 132297486 /nfs/dbraw/zinc/29/74/86/132297486.db2.gz FZXXUPWRJYXJDB-UHFFFAOYSA-N 1 1 359.271 3.721 40 0 FHABMO Cc1nc(NC(C)C)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329014801 132372520 /nfs/dbraw/zinc/37/25/20/132372520.db2.gz MYOCSSPSPSWXOL-UHFFFAOYSA-N 1 1 361.287 3.931 40 0 FHABMO Cc1nc(N[C@@H](CO)C(C)C)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000329045498 132373103 /nfs/dbraw/zinc/37/31/03/132373103.db2.gz TVWKOKVMMKEXGY-SFHVURJKSA-N 1 1 354.498 3.555 40 0 FHABMO Cc1ccsc1C[N@H+]1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096107514 222026722 /nfs/dbraw/zinc/02/67/22/222026722.db2.gz IBQXRDRLFDGEFY-ICSRJNTNSA-N 1 1 358.507 3.792 40 0 FHABMO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccc(C)s4)C3)C2)cc1 ZINC000096047622 222000048 /nfs/dbraw/zinc/00/00/48/222000048.db2.gz XNHUGRVAURQNRN-PXNSSMCTSA-N 1 1 358.507 3.911 40 0 FHABMO c1csc(CN2CCC3(C[C@@H]([NH2+][C@H]4CCOC4)c4ccccc43)CC2)n1 ZINC000096241488 222096591 /nfs/dbraw/zinc/09/65/91/222096591.db2.gz YZYFEDWDMSHYBV-QFBILLFUSA-N 1 1 369.534 3.500 40 0 FHABMO COc1cccc(-c2cccc3c([C@@H]4C[N@H+](CC5CC5)CCO4)ncn32)c1 ZINC000096155872 222057023 /nfs/dbraw/zinc/05/70/23/222057023.db2.gz WAPVAEHEDLGCJP-NRFANRHFSA-N 1 1 363.461 3.793 40 0 FHABMO COc1cccc(-c2cccc3c([C@@H]4C[N@@H+](CC5CC5)CCO4)ncn32)c1 ZINC000096155872 222057026 /nfs/dbraw/zinc/05/70/26/222057026.db2.gz WAPVAEHEDLGCJP-NRFANRHFSA-N 1 1 363.461 3.793 40 0 FHABMO Cc1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)c1 ZINC000096215424 222079642 /nfs/dbraw/zinc/07/96/42/222079642.db2.gz JGFCKIPIEQYGFH-JOCHJYFZSA-N 1 1 371.525 3.741 40 0 FHABMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3)C2)c1 ZINC000096215579 222079657 /nfs/dbraw/zinc/07/96/57/222079657.db2.gz LQGVOPLUDPBNHJ-QFIPXVFZSA-N 1 1 351.494 3.578 40 0 FHABMO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1 ZINC000096215579 222079660 /nfs/dbraw/zinc/07/96/60/222079660.db2.gz LQGVOPLUDPBNHJ-QFIPXVFZSA-N 1 1 351.494 3.578 40 0 FHABMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)c1 ZINC000096215579 222079663 /nfs/dbraw/zinc/07/96/63/222079663.db2.gz LQGVOPLUDPBNHJ-QFIPXVFZSA-N 1 1 351.494 3.578 40 0 FHABMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2)c1 ZINC000096215582 222080194 /nfs/dbraw/zinc/08/01/94/222080194.db2.gz LQGVOPLUDPBNHJ-JOCHJYFZSA-N 1 1 351.494 3.578 40 0 FHABMO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1 ZINC000096215582 222080199 /nfs/dbraw/zinc/08/01/99/222080199.db2.gz LQGVOPLUDPBNHJ-JOCHJYFZSA-N 1 1 351.494 3.578 40 0 FHABMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)c1 ZINC000096215582 222080201 /nfs/dbraw/zinc/08/02/01/222080201.db2.gz LQGVOPLUDPBNHJ-JOCHJYFZSA-N 1 1 351.494 3.578 40 0 FHABMO Cc1nc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2c(C)noc2C)C3)cs1 ZINC000096215990 222082333 /nfs/dbraw/zinc/08/23/33/222082333.db2.gz LYXZCBLGJWQMFO-LJQANCHMSA-N 1 1 360.527 3.544 40 0 FHABMO CC(C)Nc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc[nH+]1 ZINC000329023953 519741744 /nfs/dbraw/zinc/74/17/44/519741744.db2.gz OWZIRQOREALAAF-UHFFFAOYSA-N 1 1 352.360 3.758 40 0 FHABMO Fc1ccccc1-c1cncc([C@@H]2C[N@H+](CCc3ccccc3)CCO2)n1 ZINC000257202523 534531039 /nfs/dbraw/zinc/53/10/39/534531039.db2.gz AMFFKADDZWISTI-QFIPXVFZSA-N 1 1 363.436 3.899 40 0 FHABMO Fc1ccccc1-c1cncc([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)n1 ZINC000257202523 534531049 /nfs/dbraw/zinc/53/10/49/534531049.db2.gz AMFFKADDZWISTI-QFIPXVFZSA-N 1 1 363.436 3.899 40 0 FHABMO Cc1csc(Nc2cc(C)nc([C@@H]3CCC[N@H+](C4CCOCC4)C3)n2)n1 ZINC000257279934 526395317 /nfs/dbraw/zinc/39/53/17/526395317.db2.gz OITUUWMDLNYNME-OAHLLOKOSA-N 1 1 373.526 3.652 40 0 FHABMO CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cncc(C[NH+](C)C)n2)cs1 ZINC000257237146 528018305 /nfs/dbraw/zinc/01/83/05/528018305.db2.gz HFILWLIAARGSPK-QGZVFWFLSA-N 1 1 358.511 3.700 40 0 FHABMO CC(C)[N@H+]1CCC[C@H](c2cnc(N3CC4(CCCCC4)OC3=O)cn2)C1 ZINC000257208975 529028346 /nfs/dbraw/zinc/02/83/46/529028346.db2.gz BOIYIJKZKYKYIB-INIZCTEOSA-N 1 1 358.486 3.724 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@H]3COC(=O)N3c3cc(F)ccc3C2)cc1 ZINC000225484308 560042688 /nfs/dbraw/zinc/04/26/88/560042688.db2.gz ZUFHFIZDODMABV-KRWDZBQOSA-N 1 1 356.397 3.565 40 0 biogenic,in-vitro FHABMO CC[C@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000004804529 560200040 /nfs/dbraw/zinc/20/00/40/560200040.db2.gz NMLUOJBSAYAYEM-CPHCKLLXSA-N 1 1 368.477 3.817 40 0 biogenic,in-vitro FHABMO CC[C@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000004804529 560200041 /nfs/dbraw/zinc/20/00/41/560200041.db2.gz NMLUOJBSAYAYEM-CPHCKLLXSA-N 1 1 368.477 3.817 40 0 biogenic,in-vitro FHABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CSCc2ccc(F)cc2)C1 ZINC000216327249 568118146 /nfs/dbraw/zinc/11/81/46/568118146.db2.gz ANLIQVCKOXPDIN-IYBDPMFKSA-N 1 1 352.519 3.543 40 0 FHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1c(OC)cccc1OC ZINC000022931729 568314405 /nfs/dbraw/zinc/31/44/05/568314405.db2.gz KYVMNVNFDUKVQJ-LJQANCHMSA-N 1 1 369.509 3.585 40 0 FHABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1c(OC)cccc1OC ZINC000022931732 568314416 /nfs/dbraw/zinc/31/44/16/568314416.db2.gz KYVMNVNFDUKVQJ-IBGZPJMESA-N 1 1 369.509 3.585 40 0 FHABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)c1 ZINC000096040084 570472690 /nfs/dbraw/zinc/47/26/90/570472690.db2.gz QBORJASJTLBCMH-UXHICEINSA-N 1 1 358.507 3.731 40 0 FHABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC000096040223 570473191 /nfs/dbraw/zinc/47/31/91/570473191.db2.gz IMVTZFCPCLNRMK-WOJBJXKFSA-N 1 1 358.507 3.731 40 0 FHABMO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)c1 ZINC000096040173 570473314 /nfs/dbraw/zinc/47/33/14/570473314.db2.gz ZUZCLTRYPZAVFM-VQTJNVASSA-N 1 1 358.507 3.731 40 0 FHABMO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2)cc1 ZINC000096047627 570473529 /nfs/dbraw/zinc/47/35/29/570473529.db2.gz VODNQTIRZLLDHJ-FPOVZHCZSA-N 1 1 356.441 3.680 40 0 FHABMO COc1ccc(C[NH+]2CCC3(CC2)CN(Cc2ccccc2)CCO3)cc1 ZINC000096048953 570474540 /nfs/dbraw/zinc/47/45/40/570474540.db2.gz PRUOIDDQUVORER-UHFFFAOYSA-N 1 1 366.505 3.562 40 0 FHABMO CNc1cc(C)c([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072219078 570534541 /nfs/dbraw/zinc/53/45/41/570534541.db2.gz CLOMZIACGATONB-GOSISDBHSA-N 1 1 359.495 3.656 40 0 FHABMO C[NH+]1CCN(C(=S)c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000408571689 570556921 /nfs/dbraw/zinc/55/69/21/570556921.db2.gz CMTZGKKNGADIQR-UHFFFAOYSA-N 1 1 360.910 3.842 40 0 FHABMO Cc1ccc([C@@H](CC(=O)N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c2ccco2)cc1 ZINC000004812401 570607910 /nfs/dbraw/zinc/60/79/10/570607910.db2.gz ALGBIQNSNSQKKV-RAUXBKROSA-N 1 1 354.494 3.955 40 0 FHABMO Cc1cc2cc(C)c(NCCNC(=O)COc3ccccc3)[nH+]c2cc1C ZINC000004848607 570610414 /nfs/dbraw/zinc/61/04/14/570610414.db2.gz OYJKRRKOSHUVQY-UHFFFAOYSA-N 1 1 363.461 3.767 40 0 FHABMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1Br)C2 ZINC000004887166 570672707 /nfs/dbraw/zinc/67/27/07/570672707.db2.gz IZPAWRZBAHEEDZ-GOOCMWNKSA-N 1 1 365.315 3.974 40 0 FHABMO C[NH2+]CCCNCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000008377055 570680724 /nfs/dbraw/zinc/68/07/24/570680724.db2.gz GFXBCLLDXJSGOM-UHFFFAOYSA-N 1 1 366.864 3.766 40 0 FHABMO CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000012087219 570716969 /nfs/dbraw/zinc/71/69/69/570716969.db2.gz BGNWHPCHPXZNQU-HSZRJFAPSA-N 1 1 364.489 3.771 40 0 FHABMO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000012089300 570718052 /nfs/dbraw/zinc/71/80/52/570718052.db2.gz LYZBRTARHFJLID-SFHVURJKSA-N 1 1 359.429 3.980 40 0 FHABMO CCOc1cc(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)ccc1O ZINC000012119183 570720082 /nfs/dbraw/zinc/72/00/82/570720082.db2.gz WOUZYTWYUFCPQW-MRXNPFEDSA-N 1 1 368.433 3.536 40 0 FHABMO Cc1ccsc1C[N@@H+](Cc1cncn1Cc1ccccc1)C[C@@H](C)O ZINC000012143703 570721825 /nfs/dbraw/zinc/72/18/25/570721825.db2.gz SVOUFNSZOJISGA-QGZVFWFLSA-N 1 1 355.507 3.684 40 0 FHABMO Cc1ccsc1C[N@H+](Cc1cncn1Cc1ccccc1)C[C@@H](C)O ZINC000012143703 570721826 /nfs/dbraw/zinc/72/18/26/570721826.db2.gz SVOUFNSZOJISGA-QGZVFWFLSA-N 1 1 355.507 3.684 40 0 FHABMO CC(C)c1ncc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)cn1 ZINC000012220551 570728561 /nfs/dbraw/zinc/72/85/61/570728561.db2.gz DCQJCOHGEWBETP-UHFFFAOYSA-N 1 1 353.466 3.544 40 0 FHABMO CC(C)c1ncc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)cn1 ZINC000012220551 570728564 /nfs/dbraw/zinc/72/85/64/570728564.db2.gz DCQJCOHGEWBETP-UHFFFAOYSA-N 1 1 353.466 3.544 40 0 FHABMO Cc1cccc(C2(O)CC[NH+](Cc3cc4c(c(Cl)c3)OCO4)CC2)c1 ZINC000012328424 570737291 /nfs/dbraw/zinc/73/72/91/570737291.db2.gz ZDYNNNMQJIRFCG-UHFFFAOYSA-N 1 1 359.853 3.861 40 0 FHABMO C[NH+](C)[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000225183554 571020399 /nfs/dbraw/zinc/02/03/99/571020399.db2.gz ISTRWHWMMHQWHJ-FQEVSTJZSA-N 1 1 354.494 3.782 40 0 FHABMO CC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225602950 571048610 /nfs/dbraw/zinc/04/86/10/571048610.db2.gz HARNXYQCPWWREI-UTKZUKDTSA-N 1 1 362.514 3.941 40 0 FHABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1)c1ccncc1 ZINC000035289787 571076350 /nfs/dbraw/zinc/07/63/50/571076350.db2.gz PEXUHVBJGSYZGT-IHWFROFDSA-N 1 1 353.441 3.536 40 0 FHABMO CC[N@H+]1CC[C@@H](CCc2ccc(NC(=O)c3cnccn3)cc2)[C@H](C)C1 ZINC000036734966 571081376 /nfs/dbraw/zinc/08/13/76/571081376.db2.gz HSZPDAJYRIMOHM-SJLPKXTDSA-N 1 1 352.482 3.639 40 0 FHABMO C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CCCC2)C1 ZINC000036741257 571081424 /nfs/dbraw/zinc/08/14/24/571081424.db2.gz DWGDIURVIOMZOG-JTSKRJEESA-N 1 1 370.537 3.921 40 0 FHABMO O=C(NC[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849075 571087671 /nfs/dbraw/zinc/08/76/71/571087671.db2.gz JVHHHDIRSFGLHS-KGLIPLIRSA-N 1 1 371.308 3.501 40 0 FHABMO O=C(NC[C@@H]1CCCO1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849075 571087674 /nfs/dbraw/zinc/08/76/74/571087674.db2.gz JVHHHDIRSFGLHS-KGLIPLIRSA-N 1 1 371.308 3.501 40 0 FHABMO CCOC(=O)c1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c1 ZINC000044911535 571104972 /nfs/dbraw/zinc/10/49/72/571104972.db2.gz NEIMNFABMVOJSW-UHFFFAOYSA-N 1 1 363.417 3.669 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 ZINC000044949017 571105697 /nfs/dbraw/zinc/10/56/97/571105697.db2.gz DWJWRMCMXJKRRD-KRWDZBQOSA-N 1 1 363.461 3.881 40 0 FHABMO Fc1ccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000046103177 571106899 /nfs/dbraw/zinc/10/68/99/571106899.db2.gz FAFRSVIBYKLEIR-UHFFFAOYSA-N 1 1 361.461 3.700 40 0 FHABMO CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2Cc3ccccc3C[C@H]2C)[nH+]1 ZINC000329032828 571107883 /nfs/dbraw/zinc/10/78/83/571107883.db2.gz QQEODEBZAWJQQL-APWZRJJASA-N 1 1 368.525 3.980 40 0 FHABMO CCNc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]c(C(C)C)n1 ZINC000329060823 571108984 /nfs/dbraw/zinc/10/89/84/571108984.db2.gz WOEFQXZWFSAXCC-UHFFFAOYSA-N 1 1 354.498 3.822 40 0 FHABMO CSc1nnc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000260743676 571121573 /nfs/dbraw/zinc/12/15/73/571121573.db2.gz OONXRMFWTXLVOU-LBPRGKRZSA-N 1 1 362.524 3.744 40 0 FHABMO COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000247879626 571126084 /nfs/dbraw/zinc/12/60/84/571126084.db2.gz PRUAQKGROQNVMU-IBGZPJMESA-N 1 1 372.484 3.779 40 0 FHABMO Cc1cccc(COC[C@H]2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccsc2)n1 ZINC000247896740 571126150 /nfs/dbraw/zinc/12/61/50/571126150.db2.gz XODIJQKKRQVUFQ-SXLOBPIMSA-N 1 1 358.507 3.648 40 0 FHABMO Cc1cccc(COC[C@H]2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccsc2)n1 ZINC000247896740 571126152 /nfs/dbraw/zinc/12/61/52/571126152.db2.gz XODIJQKKRQVUFQ-SXLOBPIMSA-N 1 1 358.507 3.648 40 0 FHABMO CC(=O)NCc1cnc([C@@H]2CCC[N@H+]2C2CCCC2)cc1C(F)(F)F ZINC000072355971 571182367 /nfs/dbraw/zinc/18/23/67/571182367.db2.gz JBAQVYLEWIMHEY-KRWDZBQOSA-N 1 1 355.404 3.816 40 0 FHABMO Cc1ccc(Nc2nccc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)nc1 ZINC000072377620 571186609 /nfs/dbraw/zinc/18/66/09/571186609.db2.gz YHWVUCGNDKACPW-GOSISDBHSA-N 1 1 360.465 3.698 40 0 FHABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072378678 571186896 /nfs/dbraw/zinc/18/68/96/571186896.db2.gz DIBQYDIKLAHLMN-FQEVSTJZSA-N 1 1 361.493 3.994 40 0 FHABMO Fc1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1F ZINC000072390044 571189707 /nfs/dbraw/zinc/18/97/07/571189707.db2.gz WGOSBQHAZUUDME-AWEZNQCLSA-N 1 1 356.376 3.789 40 0 FHABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C1CC1 ZINC000072398549 571190832 /nfs/dbraw/zinc/19/08/32/571190832.db2.gz YKWLJDCNBGOAHX-NQIIRXRSSA-N 1 1 367.468 3.700 40 0 FHABMO C[C@H](Cc1ccccc1F)[N@H+]1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000072395785 571190864 /nfs/dbraw/zinc/19/08/64/571190864.db2.gz RAMNQILXCKTTEZ-OPAMFIHVSA-N 1 1 352.453 3.577 40 0 FHABMO COc1ccc(OCCn2c3ccccc3nc2C[NH+]2CCCC2)cc1 ZINC000076555518 571204835 /nfs/dbraw/zinc/20/48/35/571204835.db2.gz LRVNNBUXHAHSEN-UHFFFAOYSA-N 1 1 351.450 3.720 40 0 FHABMO CC(C)n1cc(C[N@@H+]2Cc3cccn3C[C@H](CCOCC3CC3)C2)cn1 ZINC000585095318 571220170 /nfs/dbraw/zinc/22/01/70/571220170.db2.gz PMGHUFCRORUSAD-LJQANCHMSA-N 1 1 356.514 3.714 40 0 FHABMO CC(C)n1cc(C[N@H+]2Cc3cccn3C[C@H](CCOCC3CC3)C2)cn1 ZINC000585095318 571220169 /nfs/dbraw/zinc/22/01/69/571220169.db2.gz PMGHUFCRORUSAD-LJQANCHMSA-N 1 1 356.514 3.714 40 0 FHABMO COc1ccccc1[C@]1(O)CCC[C@H]2C[N@@H+](Cc3cccc(O)c3)C[C@H]21 ZINC000248245926 571291243 /nfs/dbraw/zinc/29/12/43/571291243.db2.gz LZHQUJSFDRRAFA-UCNVEGJOSA-N 1 1 353.462 3.521 40 0 FHABMO CC[N@H+]1CC[C@H](CCc2ccc(NC(=O)c3cnccn3)cc2)[C@@H](C)C1 ZINC000012144906 571303404 /nfs/dbraw/zinc/30/34/04/571303404.db2.gz HSZPDAJYRIMOHM-WMZOPIPTSA-N 1 1 352.482 3.639 40 0 FHABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)C1CC1 ZINC000012365826 571303454 /nfs/dbraw/zinc/30/34/54/571303454.db2.gz BESPTAZEFHQBGC-SJLPKXTDSA-N 1 1 373.497 3.762 40 0 FHABMO CC(C)C[N@H+]1CCC[C@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019447170 571304033 /nfs/dbraw/zinc/30/40/33/571304033.db2.gz ZRRGUCMWVIAMDN-NZQKXSOJSA-N 1 1 365.521 3.850 40 0 FHABMO CCN(C(=O)Cc1ccc(OC)c(OC)c1)[C@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000019704194 571304418 /nfs/dbraw/zinc/30/44/18/571304418.db2.gz ULYFOBHGKXTIAR-GOSISDBHSA-N 1 1 374.525 3.502 40 0 FHABMO COc1ccc(-c2cnc3n2C[C@H]2C[N@H+](Cc4cccc(C)n4)C[C@@H]2C3)cc1 ZINC000306144882 210059520 /nfs/dbraw/zinc/05/95/20/210059520.db2.gz ZRJCNLGZPILAHR-RBUKOAKNSA-N 1 1 374.488 3.566 40 0 FHABMO Fc1ccc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306134545 210053611 /nfs/dbraw/zinc/05/36/11/210053611.db2.gz NRAQIDKPUFETEM-LJQANCHMSA-N 1 1 373.435 3.920 40 0 FHABMO c1cc(C[N@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)cs1 ZINC000306133534 210053662 /nfs/dbraw/zinc/05/36/62/210053662.db2.gz MOLDHKRJXODENH-NRFANRHFSA-N 1 1 362.502 3.702 40 0 FHABMO CC(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1ccc(C(C)(C)C)cc1)CCO2 ZINC000306127115 210050927 /nfs/dbraw/zinc/05/09/27/210050927.db2.gz FORUAOFMHHWLNJ-RBBKRZOGSA-N 1 1 358.526 3.634 40 0 FHABMO CC(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1ccc(C(C)(C)C)cc1)CCO2 ZINC000306127115 210050931 /nfs/dbraw/zinc/05/09/31/210050931.db2.gz FORUAOFMHHWLNJ-RBBKRZOGSA-N 1 1 358.526 3.634 40 0 FHABMO c1ccc(CN2C[C@@]3(CC[N@@H+](Cc4cccnc4)C3)c3ncccc32)cc1 ZINC000306126727 210050103 /nfs/dbraw/zinc/05/01/03/210050103.db2.gz FDKPUYOXHRKGSY-QHCPKHFHSA-N 1 1 356.473 3.641 40 0 FHABMO CC(C)c1nc2c(s1)CN(C)CC21CC[NH+](Cc2cccnc2)CC1 ZINC000306124003 210049442 /nfs/dbraw/zinc/04/94/42/210049442.db2.gz BCYFOMFQAGUDOM-UHFFFAOYSA-N 1 1 356.539 3.641 40 0 FHABMO C[C@@H]1CCC[N@@H+](C[C@H](O)COCC(c2ccccc2)c2ccccc2)C1 ZINC000040373214 210044288 /nfs/dbraw/zinc/04/42/88/210044288.db2.gz XNXJVORMCRDQEW-KNQAVFIVSA-N 1 1 353.506 3.928 40 0 FHABMO Cc1ncc(C[N@H+]2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@H]32)cn1 ZINC000257230092 223028801 /nfs/dbraw/zinc/02/88/01/223028801.db2.gz GAUHFZCSWCTOGJ-UKAVVXHISA-N 1 1 365.477 3.677 40 0 FHABMO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+](Cc3cn(C)cn3)C2)ccn1 ZINC000257267961 223043825 /nfs/dbraw/zinc/04/38/25/223043825.db2.gz MJSCVEIORYBXLQ-GOSISDBHSA-N 1 1 362.481 3.642 40 0 FHABMO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@@H+](Cc3ccnc(C)n3)C2)n1 ZINC000257278587 223047952 /nfs/dbraw/zinc/04/79/52/223047952.db2.gz OCVPMCPJOCUNFN-KRWDZBQOSA-N 1 1 363.465 3.516 40 0 FHABMO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@@H+](Cc3cnc(C)nc3)C2)nc1 ZINC000257315930 223063087 /nfs/dbraw/zinc/06/30/87/223063087.db2.gz VDILITZBAZYYAD-IBGZPJMESA-N 1 1 363.465 3.831 40 0 FHABMO Fc1ccccc1Cc1cnc([C@@H]2CCC[N@@H+](Cc3cnccn3)C2)o1 ZINC000257331633 223068592 /nfs/dbraw/zinc/06/85/92/223068592.db2.gz XTQPXPJVEHXUGG-MRXNPFEDSA-N 1 1 352.413 3.574 40 0 FHABMO COc1ccc(C[N@H+](Cc2cccc3cccnc32)C[C@@H](C)O)cc1OC ZINC000013991766 220102044 /nfs/dbraw/zinc/10/20/44/220102044.db2.gz KZPFQICSZONLTM-MRXNPFEDSA-N 1 1 366.461 3.635 40 0 FHABMO COc1cc2c(cc1OC)[C@H](c1cc(Br)ccc1F)[NH2+]CC2 ZINC000020507052 211285945 /nfs/dbraw/zinc/28/59/45/211285945.db2.gz AWNWKFCKJKFYHO-QGZVFWFLSA-N 1 1 366.230 3.841 40 0 FHABMO C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)[C@@H]1CCCCO1 ZINC000019590802 211239846 /nfs/dbraw/zinc/23/98/46/211239846.db2.gz FQVUGRRMENTATC-WOZUAGRISA-N 1 1 374.500 3.564 40 0 FHABMO Cc1cccc(C[N@H+](CCc2ccccc2)Cc2cnn3cccnc23)n1 ZINC000019715788 211248963 /nfs/dbraw/zinc/24/89/63/211248963.db2.gz ODUXPZVHIXROSS-UHFFFAOYSA-N 1 1 357.461 3.678 40 0 FHABMO Cc1cccc(C[N@@H+](CCc2ccccc2)Cc2cnn3cccnc23)n1 ZINC000019715788 211248966 /nfs/dbraw/zinc/24/89/66/211248966.db2.gz ODUXPZVHIXROSS-UHFFFAOYSA-N 1 1 357.461 3.678 40 0 FHABMO 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O[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(OCc3cccnc3)c2)C1 ZINC000019369773 211218249 /nfs/dbraw/zinc/21/82/49/211218249.db2.gz OOJLCXLYARXGMK-QHCPKHFHSA-N 1 1 360.457 3.754 40 0 FHABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019081983 211201657 /nfs/dbraw/zinc/20/16/57/211201657.db2.gz WTBFKTLBPMKSLY-QUCCMNQESA-N 1 1 366.509 3.592 40 0 FHABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)[C@@H]32)cc1 ZINC000019019367 211199357 /nfs/dbraw/zinc/19/93/57/211199357.db2.gz HRVOUZDSYOCKAO-DNVJHFABSA-N 1 1 364.489 3.674 40 0 FHABMO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccc3C)CC[C@@H]21 ZINC000019237248 211208122 /nfs/dbraw/zinc/20/81/22/211208122.db2.gz ISGQVLJTEAUROB-ACRUOGEOSA-N 1 1 354.519 3.893 40 0 FHABMO CC(=O)N1Cc2ccccc2O[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(C)o3)C2)C1 ZINC000019216601 211206699 /nfs/dbraw/zinc/20/66/99/211206699.db2.gz WXDOUYDZPYTWSA-GCJKJVERSA-N 1 1 368.477 3.610 40 0 FHABMO Cc1ccc(-c2cc([C@H]3CC[N@@H+](Cc4cccnc4)C3)nc(N(C)C)n2)cc1 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ZINC000096075711 222013942 /nfs/dbraw/zinc/01/39/42/222013942.db2.gz ODTCPRFBVSPXNF-QUCCMNQESA-N 1 1 357.523 3.669 40 0 FHABMO COC[C@H]1CCC2(CCN(C(=O)c3cc4ccccc4s3)CC2)[N@H+]1C ZINC000096208272 222078424 /nfs/dbraw/zinc/07/84/24/222078424.db2.gz WBYSCFCGFCQILS-MRXNPFEDSA-N 1 1 358.507 3.617 40 0 FHABMO CCOC[C@H]1CCC2(CCN(Cc3ccc4ccccc4n3)CC2)[N@H+]1C ZINC000096209197 222078880 /nfs/dbraw/zinc/07/88/80/222078880.db2.gz BXIAGOPCYVHJNQ-HXUWFJFHSA-N 1 1 353.510 3.700 40 0 FHABMO Cc1ccsc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1c(C)noc1C)C2 ZINC000096216028 222082410 /nfs/dbraw/zinc/08/24/10/222082410.db2.gz UTVHOZLPKPQWOA-HXUWFJFHSA-N 1 1 373.522 3.790 40 0 FHABMO Cc1ccsc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215793 222082722 /nfs/dbraw/zinc/08/27/22/222082722.db2.gz VSFXZSDDMXNFER-GOSISDBHSA-N 1 1 361.536 3.641 40 0 FHABMO Cc1ccsc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215793 222082725 /nfs/dbraw/zinc/08/27/25/222082725.db2.gz VSFXZSDDMXNFER-GOSISDBHSA-N 1 1 361.536 3.641 40 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CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC000260449421 570626886 /nfs/dbraw/zinc/62/68/86/570626886.db2.gz SRPCWYIPCBTALJ-DLBZAZTESA-N 1 1 364.555 3.947 40 0 FHABMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3C=C[N@H+]2C)cc1OC ZINC000005707253 570633612 /nfs/dbraw/zinc/63/36/12/570633612.db2.gz JTPHLUJGSNTOFP-KRWDZBQOSA-N 1 1 355.434 3.921 40 0 FHABMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3C=C[N@@H+]2C)cc1OC ZINC000005707253 570633613 /nfs/dbraw/zinc/63/36/13/570633613.db2.gz JTPHLUJGSNTOFP-KRWDZBQOSA-N 1 1 355.434 3.921 40 0 FHABMO Fc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccco2)cc1 ZINC000004886368 570672544 /nfs/dbraw/zinc/67/25/44/570672544.db2.gz VOSBFSUBVACZDG-ALOPSCKCSA-N 1 1 359.470 3.901 40 0 FHABMO CC(=O)N1Cc2ccccc2O[C@]2(CCC[N@@H+](Cc3ccccc3F)C2)C1 ZINC000012087206 570717238 /nfs/dbraw/zinc/71/72/38/570717238.db2.gz DIBCLEKILFKQMJ-QFIPXVFZSA-N 1 1 368.452 3.601 40 0 FHABMO COc1ccc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)c(OC)c1 ZINC000012122117 570720715 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COc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)cc1 ZINC000096100330 222023225 /nfs/dbraw/zinc/02/32/25/222023225.db2.gz LDBSWOLVSXXEFB-HSZRJFAPSA-N 1 1 362.473 3.596 40 0 FHABMO CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1CN(Cc1ccc(C)s1)CCC2 ZINC000096055905 222006083 /nfs/dbraw/zinc/00/60/83/222006083.db2.gz SFVMHYUDOPOOII-PXNSSMCTSA-N 1 1 364.555 3.542 40 0 FHABMO c1coc(CN2CCC3(CC2)C[C@@H]([NH2+][C@H]2CCOC2)c2ccccc2O3)c1 ZINC000096079856 222017500 /nfs/dbraw/zinc/01/75/00/222017500.db2.gz FNQIRBRMTNLLTF-FXAWDEMLSA-N 1 1 368.477 3.517 40 0 FHABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccc(C)s3)C[C@@H]12 ZINC000096100384 222022048 /nfs/dbraw/zinc/02/20/48/222022048.db2.gz ITLKYKOGCOJECH-RTWAWAEBSA-N 1 1 354.519 3.821 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000096244252 222099160 /nfs/dbraw/zinc/09/91/60/222099160.db2.gz TUZZMOQXBJRJCD-HSZRJFAPSA-N 1 1 372.472 3.521 40 0 FHABMO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4cccc(Cl)c4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261480 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FHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Br)cc1 ZINC000010543019 263366510 /nfs/dbraw/zinc/36/65/10/263366510.db2.gz ZRQJMLKEEMXPRL-INIZCTEOSA-N 1 1 353.304 3.834 40 0 FHABMO CC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000039753694 263399276 /nfs/dbraw/zinc/39/92/76/263399276.db2.gz HGKGYUFIXCVEOM-UHFFFAOYSA-N 1 1 354.425 3.879 40 0 FHABMO C[C@]12C[C@@H](c3ccccc3F)[N@@H+](Cc3cccnc3)[C@H]1CCCC(=O)N2 ZINC000257285375 534189508 /nfs/dbraw/zinc/18/95/08/534189508.db2.gz PGUFLWGKPWBKGT-ZJOUEHCJSA-N 1 1 353.441 3.595 40 0 FHABMO CC(C)c1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020481288 519847764 /nfs/dbraw/zinc/84/77/64/519847764.db2.gz HSHTXXKADRQABO-LJQANCHMSA-N 1 1 366.505 3.922 40 0 FHABMO Fc1ccc(OCc2cc([C@@H]3CC[N@@H+](Cc4ccccn4)C3)n[nH]2)cc1 ZINC000257228303 534486429 /nfs/dbraw/zinc/48/64/29/534486429.db2.gz FTIJUPAGJYQFJM-OAHLLOKOSA-N 1 1 352.413 3.512 40 0 FHABMO Fc1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4ccccn4)C3)[nH]n2)cc1 ZINC000257228303 534486436 /nfs/dbraw/zinc/48/64/36/534486436.db2.gz FTIJUPAGJYQFJM-OAHLLOKOSA-N 1 1 352.413 3.512 40 0 FHABMO Fc1ccc(OCc2cc([C@@H]3CC[N@@H+](Cc4ccccn4)C3)[nH]n2)cc1 ZINC000257228303 534486443 /nfs/dbraw/zinc/48/64/43/534486443.db2.gz FTIJUPAGJYQFJM-OAHLLOKOSA-N 1 1 352.413 3.512 40 0 FHABMO CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000020491573 522881622 /nfs/dbraw/zinc/88/16/22/522881622.db2.gz JGSHXDBESIZAGH-NRFANRHFSA-N 1 1 363.461 3.963 40 0 FHABMO COc1ccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020488635 524066416 /nfs/dbraw/zinc/06/64/16/524066416.db2.gz UUAORFVPEMTLKU-KRWDZBQOSA-N 1 1 352.478 3.857 40 0 FHABMO COc1ccccc1CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020456990 524481931 /nfs/dbraw/zinc/48/19/31/524481931.db2.gz SYHJOSMLLOPLMK-QGZVFWFLSA-N 1 1 352.478 3.857 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000020043829 527372711 /nfs/dbraw/zinc/37/27/11/527372711.db2.gz PSCJTGSOHBUXSY-AWEZNQCLSA-N 1 1 369.852 3.918 40 0 FHABMO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@@H+](CC4CCOCC4)[C@@H]3C[C@H]21 ZINC000257250221 527816741 /nfs/dbraw/zinc/81/67/41/527816741.db2.gz JLPHBOQWTOCTDJ-UKAVVXHISA-N 1 1 357.494 3.805 40 0 FHABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCCCC3)n2)cn1 ZINC000035425170 560080362 /nfs/dbraw/zinc/08/03/62/560080362.db2.gz JQKYMWLGPHUQSY-KRWDZBQOSA-N 1 1 371.485 3.660 40 0 biogenic,in-vitro FHABMO Cc1cc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000222841477 568570711 /nfs/dbraw/zinc/57/07/11/568570711.db2.gz VZNDOSBYMHXYCF-QGZVFWFLSA-N 1 1 372.896 3.760 40 0 FHABMO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000223253164 568630648 /nfs/dbraw/zinc/63/06/48/568630648.db2.gz ALPTYUYMOUNOGP-XMSQKQJNSA-N 1 1 372.553 3.961 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccnc2)C3)s1 ZINC000096047043 570473294 /nfs/dbraw/zinc/47/32/94/570473294.db2.gz GLVFMGXWLDBOFY-HXUWFJFHSA-N 1 1 355.507 3.580 40 0 FHABMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccncc3)CC2)N1Cc1cccc(F)c1 ZINC000096047561 570473547 /nfs/dbraw/zinc/47/35/47/570473547.db2.gz XAWAHFMTHJRZMD-QFIPXVFZSA-N 1 1 367.468 3.768 40 0 FHABMO Cc1ccc(C[NH+]2CCC3(C[C@H](N(C)Cc4cccnc4)CO3)CC2)s1 ZINC000096047984 570473818 /nfs/dbraw/zinc/47/38/18/570473818.db2.gz LXYQRERNWLVSLS-IBGZPJMESA-N 1 1 371.550 3.707 40 0 FHABMO CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048011 570473881 /nfs/dbraw/zinc/47/38/81/570473881.db2.gz GLASKMKXFKOYEI-IBGZPJMESA-N 1 1 358.457 3.674 40 0 FHABMO CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]2[C@@H]1CCC[N@H+]2Cc1ccccc1 ZINC000585261174 570480474 /nfs/dbraw/zinc/48/04/74/570480474.db2.gz ZNEKIJOJQLLFAI-FKBYEOEOSA-N 1 1 352.453 3.805 40 0 FHABMO COc1ccccc1C[N@@H+](C)[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585289530 570495605 /nfs/dbraw/zinc/49/56/05/570495605.db2.gz RCVRIUKGRVEMMM-KSEOMHKRSA-N 1 1 355.478 3.796 40 0 FHABMO [NH3+][C@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072227312 570535763 /nfs/dbraw/zinc/53/57/63/570535763.db2.gz UEDMXCGMYMFLHW-ZIAGYGMSSA-N 1 1 351.631 3.518 40 0 FHABMO CCOc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072228104 570536271 /nfs/dbraw/zinc/53/62/71/570536271.db2.gz WJNXHCXHECUVQI-HZPDHXFCSA-N 1 1 350.340 3.519 40 0 FHABMO C[C@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CCc4ccccc43)cc2)C[C@H](C)O1 ZINC000046435320 570541065 /nfs/dbraw/zinc/54/10/65/570541065.db2.gz FHEZZRCEQVNWLE-PNLZDCPESA-N 1 1 364.489 3.713 40 0 FHABMO C[N@@H+](C[C@H](O)COCCOC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000226072377 570610837 /nfs/dbraw/zinc/61/08/37/570610837.db2.gz CMDQADNQFUBQEP-OTNIWXAGSA-N 1 1 365.558 3.614 40 0 FHABMO CCOC(=O)C[C@H]1C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C[C@@H]1CC ZINC000005410486 570626314 /nfs/dbraw/zinc/62/63/14/570626314.db2.gz YHIDMIJOSAPVSE-LESCRADOSA-N 1 1 361.482 3.602 40 0 FHABMO Cc1ccc(OCC2(O)CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)c(C)c1 ZINC000257233535 570627327 /nfs/dbraw/zinc/62/73/27/570627327.db2.gz GPQHZRAQJDZASO-UHFFFAOYSA-N 1 1 365.477 3.586 40 0 FHABMO O=C(C[N@@H+]1CCc2ccccc2C1)NC(c1ccccc1)c1ccccc1 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/nfs/dbraw/zinc/17/77/05/220177705.db2.gz BPNUQXPIQBZCMR-LJQANCHMSA-N 1 1 358.445 3.882 40 0 in-vitro FHABMO Fc1ccc(Cn2nnnc2[C@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000019343042 220251683 /nfs/dbraw/zinc/25/16/83/220251683.db2.gz QLYRCNUDUMNWHD-SFHVURJKSA-N 1 1 371.485 3.887 40 0 FHABMO COc1cc2[nH+]c(C)n(CC(=O)Nc3nc(C(C)C)cs3)c2cc1OC ZINC000019718837 211250719 /nfs/dbraw/zinc/25/07/19/211250719.db2.gz DAIOWWIOFWKJND-UHFFFAOYSA-N 1 1 374.466 3.581 40 0 FHABMO COCCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C4CC4)ncc23)c1 ZINC000019593768 211240937 /nfs/dbraw/zinc/24/09/37/211240937.db2.gz YYNYMGNONIYXEB-LAUBAEHRSA-N 1 1 365.477 3.641 40 0 FHABMO COCCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C4CC4)ncc23)c1 ZINC000019593768 211240941 /nfs/dbraw/zinc/24/09/41/211240941.db2.gz YYNYMGNONIYXEB-LAUBAEHRSA-N 1 1 365.477 3.641 40 0 FHABMO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2cnc(N3CCOCC3)s2)c1 ZINC000019715692 211250033 /nfs/dbraw/zinc/25/00/33/211250033.db2.gz MPJDCGZFGLEPII-LJQANCHMSA-N 1 1 357.523 3.934 40 0 FHABMO Cc1c(C[N@H+]2CC[C@](O)(c3ccc(C)cc3)C2)c(-c2ccccc2)nn1C ZINC000019715877 211249482 /nfs/dbraw/zinc/24/94/82/211249482.db2.gz XPZGPHHWFOAFDS-HSZRJFAPSA-N 1 1 361.489 3.797 40 0 FHABMO CCc1[nH+]ccn1[C@H](C)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000019666329 211245096 /nfs/dbraw/zinc/24/50/96/211245096.db2.gz JCTLNKAMLNEGKQ-GFCCVEGCSA-N 1 1 368.462 3.704 40 0 FHABMO CCc1[nH+]ccn1[C@H](C)C(=O)Nc1ncc(-c2ccc(C)c(C)c2)n1C ZINC000019666335 211244930 /nfs/dbraw/zinc/24/49/30/211244930.db2.gz SIRABMGUOHWDPK-OAHLLOKOSA-N 1 1 351.454 3.663 40 0 FHABMO CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CC[N@@H+](CC2CC2)C1 ZINC000019529121 211227940 /nfs/dbraw/zinc/22/79/40/211227940.db2.gz QGAVMAKZPRFBQG-QHCPKHFHSA-N 1 1 363.505 3.529 40 0 FHABMO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)no2)CC1 ZINC000019496758 211226441 /nfs/dbraw/zinc/22/64/41/211226441.db2.gz YHGFANIZXWMASQ-LJQANCHMSA-N 1 1 367.493 3.926 40 0 FHABMO Cc1ccsc1C[N@@H+](CCCN1CCOCC1)Cc1ccccc1F ZINC000019238586 211210244 /nfs/dbraw/zinc/21/02/44/211210244.db2.gz LWSUKNKFXRYKQV-UHFFFAOYSA-N 1 1 362.514 3.920 40 0 FHABMO O=c1cc([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)nc(-c2ccccn2)[nH]1 ZINC000019402750 211220190 /nfs/dbraw/zinc/22/01/90/211220190.db2.gz JIVTXHYSWQABRC-LJQANCHMSA-N 1 1 364.424 3.698 40 0 FHABMO O=c1cc([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)nc(-c2ccccn2)[nH]1 ZINC000019402750 211220196 /nfs/dbraw/zinc/22/01/96/211220196.db2.gz JIVTXHYSWQABRC-LJQANCHMSA-N 1 1 364.424 3.698 40 0 FHABMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc(OCc3cccnc3)c2)C1 ZINC000019369775 211219262 /nfs/dbraw/zinc/21/92/62/211219262.db2.gz OOJLCXLYARXGMK-HSZRJFAPSA-N 1 1 360.457 3.754 40 0 FHABMO FC(F)(F)c1cccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2ncc[nH]2)c1 ZINC000019330979 211216524 /nfs/dbraw/zinc/21/65/24/211216524.db2.gz CIKIFAOMCMDUHU-BJJXKVORSA-N 1 1 351.372 3.860 40 0 FHABMO FC(F)(F)c1cccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2ncc[nH]2)c1 ZINC000019330979 211216527 /nfs/dbraw/zinc/21/65/27/211216527.db2.gz CIKIFAOMCMDUHU-BJJXKVORSA-N 1 1 351.372 3.860 40 0 FHABMO Clc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(-c3cnccn3)o2)C1 ZINC000019349041 211215410 /nfs/dbraw/zinc/21/54/10/211215410.db2.gz VWKOQWXJHHMFEG-CQSZACIVSA-N 1 1 355.829 3.560 40 0 FHABMO O=c1cc([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)nc(-c2ccncc2)[nH]1 ZINC000019293848 211213510 /nfs/dbraw/zinc/21/35/10/211213510.db2.gz CEIDXQZAGKXONY-IBGZPJMESA-N 1 1 364.424 3.698 40 0 FHABMO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)nc(-c2ccncc2)[nH]1 ZINC000019293848 211213515 /nfs/dbraw/zinc/21/35/15/211213515.db2.gz CEIDXQZAGKXONY-IBGZPJMESA-N 1 1 364.424 3.698 40 0 FHABMO O=C(C1CCCC1)N1C[C@@H]2CCCC[N@H+](Cc3ccc(F)c(F)c3)[C@@H]2C1 ZINC000019292941 211213288 /nfs/dbraw/zinc/21/32/88/211213288.db2.gz UOOGYKDYRNTMDL-FXAWDEMLSA-N 1 1 362.464 3.968 40 0 FHABMO CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000001845601 210373467 /nfs/dbraw/zinc/37/34/67/210373467.db2.gz IVBGOSVLURUGPB-LJQANCHMSA-N 1 1 352.478 3.979 40 0 FHABMO CCN(CC)CC[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000022075315 220377574 /nfs/dbraw/zinc/37/75/74/220377574.db2.gz VVSGBLVEVPOMCK-UHFFFAOYSA-N 1 1 360.473 3.845 40 0 FHABMO Fc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)o1 ZINC000049170558 221020508 /nfs/dbraw/zinc/02/05/08/221020508.db2.gz OPIXYQSRIMQJRG-AWEZNQCLSA-N 1 1 367.380 3.594 40 0 biogenic,in-vitro FHABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCOc2ccccc21 ZINC000225904321 132287365 /nfs/dbraw/zinc/28/73/65/132287365.db2.gz UHQHGPGPYCWLBH-QGZVFWFLSA-N 1 1 370.880 3.978 40 0 FHABMO COC(=O)c1ccc2c(c1)CCN(c1cc(Nc3ccccc3)[nH+]c(C)n1)C2 ZINC000328995975 132372232 /nfs/dbraw/zinc/37/22/32/132372232.db2.gz JJNYMAOHINMATB-UHFFFAOYSA-N 1 1 374.444 3.878 40 0 FHABMO C[C@H](O)c1ccc2c(c1)CCN(c1cc(NC3CC3)[nH+]c(C3CC3)n1)C2 ZINC000329012671 132372465 /nfs/dbraw/zinc/37/24/65/132372465.db2.gz MLXORXZLDPBJMA-ZDUSSCGKSA-N 1 1 350.466 3.544 40 0 FHABMO C[C@H](O)c1ccc2c(c1)CCN(c1cc(NC3CC3)nc(C3CC3)[nH+]1)C2 ZINC000329012671 132372466 /nfs/dbraw/zinc/37/24/66/132372466.db2.gz MLXORXZLDPBJMA-ZDUSSCGKSA-N 1 1 350.466 3.544 40 0 FHABMO Cc1nc(N[C@H](CO)C(C)C)cc(N2Cc3ccccc3C(C)(C)C2)[nH+]1 ZINC000329069404 132373280 /nfs/dbraw/zinc/37/32/80/132373280.db2.gz YWXYFYQJYDJHGT-GOSISDBHSA-N 1 1 354.498 3.512 40 0 FHABMO CC(C)n1c2cc(C(=O)N3CC[NH+](C(C)C)CC3)n(C)c2c2ccccc21 ZINC000096037361 221993931 /nfs/dbraw/zinc/99/39/31/221993931.db2.gz WYRPMNCUQQXRRC-UHFFFAOYSA-N 1 1 366.509 3.880 40 0 FHABMO Cc1ccc(C[N@@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)s1 ZINC000096057143 222004935 /nfs/dbraw/zinc/00/49/35/222004935.db2.gz PKPYAGDVZRASTE-DBVUQKKJSA-N 1 1 360.523 3.761 40 0 FHABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000096058463 222006671 /nfs/dbraw/zinc/00/66/71/222006671.db2.gz OODGUKZXVGZWRP-FGZHOGPDSA-N 1 1 352.453 3.590 40 0 FHABMO Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@@H+](Cc2ccoc2)C3)n1 ZINC000096065129 222011450 /nfs/dbraw/zinc/01/14/50/222011450.db2.gz KLVAJBFEZJYYIM-LEWJYISDSA-N 1 1 356.466 3.571 40 0 FHABMO c1coc(CN2CCC3(CC2)C[C@H]([NH2+][C@@H]2CCOC2)c2ccccc2O3)c1 ZINC000096079855 222017217 /nfs/dbraw/zinc/01/72/17/222017217.db2.gz FNQIRBRMTNLLTF-XLIONFOSSA-N 1 1 368.477 3.517 40 0 FHABMO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C[N@H+]2CCCc2ccccc2)C1 ZINC000096244870 222098023 /nfs/dbraw/zinc/09/80/23/222098023.db2.gz LARNIUFPZLBEBH-CTNGQTDRSA-N 1 1 368.908 3.658 40 0 FHABMO CCc1ccc(NC(=O)N2Cc3c(C[NH+]4CCCCC4)nn(C)c3C2)cc1 ZINC000096259139 222103129 /nfs/dbraw/zinc/10/31/29/222103129.db2.gz NMJLYRURBCNDQO-UHFFFAOYSA-N 1 1 367.497 3.516 40 0 FHABMO CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000020491571 523048590 /nfs/dbraw/zinc/04/85/90/523048590.db2.gz JGSHXDBESIZAGH-OAQYLSRUSA-N 1 1 363.461 3.963 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000020107561 527370297 /nfs/dbraw/zinc/37/02/97/527370297.db2.gz GAQOTZPZIHAEFB-UHFFFAOYSA-N 1 1 369.852 3.838 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1ccccc1Cl ZINC000020459284 527384328 /nfs/dbraw/zinc/38/43/28/527384328.db2.gz AAECVAISGWSTLF-UHFFFAOYSA-N 1 1 355.825 3.529 40 0 FHABMO CC(C)c1cc(C(=O)N2CCC[C@H]2c2cncc(C[NH+](C)C)n2)cs1 ZINC000257237145 528019405 /nfs/dbraw/zinc/01/94/05/528019405.db2.gz HFILWLIAARGSPK-KRWDZBQOSA-N 1 1 358.511 3.700 40 0 FHABMO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NC3CC3)[nH+]c(C3CC3)n1)C2 ZINC000329004315 535326446 /nfs/dbraw/zinc/32/64/46/535326446.db2.gz KRGMGRNPXRXWSB-UHFFFAOYSA-N 1 1 364.493 3.718 40 0 FHABMO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NC3CC3)nc(C3CC3)[nH+]1)C2 ZINC000329004315 535326450 /nfs/dbraw/zinc/32/64/50/535326450.db2.gz KRGMGRNPXRXWSB-UHFFFAOYSA-N 1 1 364.493 3.718 40 0 FHABMO CC(C)CC[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 ZINC000514289765 560031922 /nfs/dbraw/zinc/03/19/22/560031922.db2.gz DOZJLVMCZIFSRR-QNWVGRARSA-N 1 1 372.553 3.906 40 0 biogenic,in-vitro FHABMO CC[C@H](Oc1cccc(OC)c1)C(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000216141095 568108048 /nfs/dbraw/zinc/10/80/48/568108048.db2.gz IFJFHGQVMURPJP-PXNSSMCTSA-N 1 1 362.514 3.623 40 0 FHABMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccccn3)CC2)N1Cc1cccc(F)c1 ZINC000096047557 570473746 /nfs/dbraw/zinc/47/37/46/570473746.db2.gz ZUOJPDCCVWNXPH-QFIPXVFZSA-N 1 1 367.468 3.768 40 0 FHABMO CC[N@H+]1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216479 570533552 /nfs/dbraw/zinc/53/35/52/570533552.db2.gz RZQQKVMONTYONF-SFHVURJKSA-N 1 1 374.529 3.686 40 0 FHABMO Cc1[nH+]c(N2CCOCC2)ccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072219662 570534769 /nfs/dbraw/zinc/53/47/69/570534769.db2.gz DLTCEAVCHLSKAG-HXUWFJFHSA-N 1 1 365.477 3.594 40 0 FHABMO Cc1[nH+]c(N2CCc3ccccc3C2)ccc1CNC(=O)OC(C)(C)C ZINC000072224928 570535376 /nfs/dbraw/zinc/53/53/76/570535376.db2.gz SQMSYPBXDUISRS-UHFFFAOYSA-N 1 1 353.466 3.977 40 0 FHABMO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072345955 570538013 /nfs/dbraw/zinc/53/80/13/570538013.db2.gz OEHXYXMMEAGTNM-KRWDZBQOSA-N 1 1 363.440 3.640 40 0 FHABMO COc1cccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000072369855 570546800 /nfs/dbraw/zinc/54/68/00/570546800.db2.gz PDKLILMNCBFZKF-MRXNPFEDSA-N 1 1 353.397 3.874 40 0 FHABMO Cc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](Cc1ccsc1)c1nccs1 ZINC000012087879 570717444 /nfs/dbraw/zinc/71/74/44/570717444.db2.gz CLPMEVFGMCDBIQ-DOMZBBRYSA-N 1 1 360.508 3.761 40 0 FHABMO C[NH+](C)CC1CCC2(CC1)CN(Cc1ccccn1)Cc1ccccc1O2 ZINC000012088447 570717486 /nfs/dbraw/zinc/71/74/86/570717486.db2.gz SBKWOMXIYPXXPV-UHFFFAOYSA-N 1 1 365.521 3.967 40 0 FHABMO COc1ccc(C[NH+]2CCC(O)(c3ccccc3C)CC2)cc1CN(C)C ZINC000012188741 570725355 /nfs/dbraw/zinc/72/53/55/570725355.db2.gz NHNBLSWSXDBSEL-UHFFFAOYSA-N 1 1 368.521 3.549 40 0 FHABMO c1cc(-c2ccc(-c3noc(C[N@@H+]4C[C@@H]5CCCC[C@@H]5C4)n3)cc2)ncn1 ZINC000012337230 570737662 /nfs/dbraw/zinc/73/76/62/570737662.db2.gz NKSLZXCUSANDCP-HDICACEKSA-N 1 1 361.449 3.816 40 0 FHABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(=O)CCCc1c[nH]c2ccccc12 ZINC000019712170 570857959 /nfs/dbraw/zinc/85/79/59/570857959.db2.gz DLBLCVUXTXWJIM-LEWJYISDSA-N 1 1 353.510 3.966 40 0 FHABMO O[C@H](C[NH+]1CCN(c2ccccc2Cl)CC1)c1c[nH]c2ccc(F)cc21 ZINC000019349902 570886892 /nfs/dbraw/zinc/88/68/92/570886892.db2.gz DWNZBMSYEMWSOO-HXUWFJFHSA-N 1 1 373.859 3.816 40 0 FHABMO C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)Cc1ccccc1N1CCOCC1 ZINC000019716015 570899698 /nfs/dbraw/zinc/89/96/98/570899698.db2.gz QWCZQJITDINILV-UHFFFAOYSA-N 1 1 366.505 3.869 40 0 FHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C1 ZINC000020107107 570910455 /nfs/dbraw/zinc/91/04/55/570910455.db2.gz YXVUYVIQKGZSLJ-INIZCTEOSA-N 1 1 363.461 3.517 40 0 FHABMO CO[C@](C)(C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000225643967 571052221 /nfs/dbraw/zinc/05/22/21/571052221.db2.gz DOECGXLOFRJRNQ-JKSBSHDWSA-N 1 1 374.525 3.797 40 0 FHABMO CO[C@](C)(C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225643897 571052359 /nfs/dbraw/zinc/05/23/59/571052359.db2.gz HPNWLUCIFZUJJA-KKSFZXQISA-N 1 1 360.498 3.693 40 0 FHABMO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225650362 571052638 /nfs/dbraw/zinc/05/26/38/571052638.db2.gz BFBBFILPLDMGKM-UTKZUKDTSA-N 1 1 362.514 3.941 40 0 FHABMO COc1ccc(F)cc1[C@@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000036743865 571081502 /nfs/dbraw/zinc/08/15/02/571081502.db2.gz FFQFCTWXWGLSBF-LIRRHRJNSA-N 1 1 369.440 3.624 40 0 FHABMO COc1ccc(OC)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038834775 571087144 /nfs/dbraw/zinc/08/71/44/571087144.db2.gz VBXHZWNUQHQSCD-MRXNPFEDSA-N 1 1 372.440 3.694 40 0 FHABMO CC(C)c1nc(N[C@@H](C)CO)cc(N2Cc3ccccc3C(C)(C)C2)[nH+]1 ZINC000329033288 571107851 /nfs/dbraw/zinc/10/78/51/571107851.db2.gz QTHXZWDJVNZHMS-HNNXBMFYSA-N 1 1 354.498 3.691 40 0 FHABMO COC[C@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000247888581 571126285 /nfs/dbraw/zinc/12/62/85/571126285.db2.gz SJFJZXCSPLNLBZ-LJQANCHMSA-N 1 1 371.550 3.504 40 0 FHABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)s1 ZINC000248106121 571127739 /nfs/dbraw/zinc/12/77/39/571127739.db2.gz PFSNEYAEYKKSAY-YXJHDRRASA-N 1 1 364.536 3.709 40 0 FHABMO CC[N@H+]1CCC[C@@H]1CNc1ncc(-c2cc(C)no2)c(-c2ccc(C)o2)n1 ZINC000072340116 571179084 /nfs/dbraw/zinc/17/90/84/571179084.db2.gz WUUMNUCJLPRFHG-OAHLLOKOSA-N 1 1 367.453 3.905 40 0 FHABMO Cc1cccc(-c2cccc([C@H]3CCC[N@@H+](CC(=O)N4CCCC4)C3)n2)c1 ZINC000072348767 571180259 /nfs/dbraw/zinc/18/02/59/571180259.db2.gz RVIAGKIXRJTLAM-FQEVSTJZSA-N 1 1 363.505 3.859 40 0 FHABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349535 571181165 /nfs/dbraw/zinc/18/11/65/571181165.db2.gz UUQPRSWDVWXJRG-QGZVFWFLSA-N 1 1 371.912 3.593 40 0 FHABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cccc(Cc4cccc(F)c4)n3)C2)cn1 ZINC000072349981 571181401 /nfs/dbraw/zinc/18/14/01/571181401.db2.gz XZAXKNKJOKNFJD-LJQANCHMSA-N 1 1 364.468 3.925 40 0 FHABMO COc1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)n2)c1 ZINC000072349959 571181478 /nfs/dbraw/zinc/18/14/78/571181478.db2.gz FHBJVQAIHBSFNA-LJQANCHMSA-N 1 1 362.477 3.870 40 0 FHABMO Cc1cccc(Nc2cncc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)n1 ZINC000072360966 571184343 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362.481 3.642 40 0 FHABMO Cc1c(C[N@H+]2CCC[C@H]2c2cccc(Nc3ncccc3C)n2)cnn1C ZINC000072375343 571185787 /nfs/dbraw/zinc/18/57/87/571185787.db2.gz KOBVDAIUYBPGEY-IBGZPJMESA-N 1 1 362.481 3.908 40 0 FHABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378483 571187011 /nfs/dbraw/zinc/18/70/11/571187011.db2.gz UHAWGONBWYDGHC-LJQANCHMSA-N 1 1 364.424 3.621 40 0 FHABMO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000072379203 571187664 /nfs/dbraw/zinc/18/76/64/571187664.db2.gz ZKLVOSYYNQXTBQ-IBGZPJMESA-N 1 1 362.477 3.834 40 0 FHABMO Cc1cc(C)n(CCC[N@H+](C)Cc2c(C)n(C)nc2-c2ccccc2)n1 ZINC000072391964 571189928 /nfs/dbraw/zinc/18/99/28/571189928.db2.gz RDWBZQNWPBCTIC-UHFFFAOYSA-N 1 1 351.498 3.731 40 0 FHABMO O=C(c1ccco1)N1CCC[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306123014 571212736 /nfs/dbraw/zinc/21/27/36/571212736.db2.gz ACGINQCCXWDNJL-GOSISDBHSA-N 1 1 358.401 3.967 40 0 FHABMO Cc1nc(C)c(C[N@H+]2CCC[C@]3(CN(CC4CCCCC4)C3=O)C2)s1 ZINC000585099276 571221845 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USCOSYAPMUYTAK-GOSISDBHSA-N 1 1 360.461 3.507 40 0 FHABMO Cc1nn([C@@H](C)CC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c(C)c1Cl ZINC000248151260 571291142 /nfs/dbraw/zinc/29/11/42/571291142.db2.gz UCWFHORWHZZXIU-KSSFIOAISA-N 1 1 374.916 3.620 40 0 FHABMO Cc1nn([C@@H](C)CC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1Cl ZINC000248151260 571291144 /nfs/dbraw/zinc/29/11/44/571291144.db2.gz UCWFHORWHZZXIU-KSSFIOAISA-N 1 1 374.916 3.620 40 0 FHABMO CC(=O)N1Cc2ccccc2O[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(C)o3)C2)C1 ZINC000019216608 571303822 /nfs/dbraw/zinc/30/38/22/571303822.db2.gz WXDOUYDZPYTWSA-PGRDOPGGSA-N 1 1 368.477 3.610 40 0 FHABMO CCN(C(C)=O)[C@H]1C[N@@H+](Cc2cccc(OC)c2OC)C2(C1)CCCCC2 ZINC000019703921 571304525 /nfs/dbraw/zinc/30/45/25/571304525.db2.gz QCRZMWJQCQQKEM-LJQANCHMSA-N 1 1 374.525 3.849 40 0 FHABMO CC(C)c1ccc(OCc2cc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)n[nH]2)cc1 ZINC000019704656 571304541 /nfs/dbraw/zinc/30/45/41/571304541.db2.gz SELCXVYYKUGSBK-KRWDZBQOSA-N 1 1 365.481 3.825 40 0 FHABMO CC(C)c1ccc(OCc2cc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n[nH]2)cc1 ZINC000019704656 571304542 /nfs/dbraw/zinc/30/45/42/571304542.db2.gz SELCXVYYKUGSBK-KRWDZBQOSA-N 1 1 365.481 3.825 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000096047597 571306836 /nfs/dbraw/zinc/30/68/36/571306836.db2.gz QQTZKGMAIOOPOE-PZJWPPBQSA-N 1 1 356.441 3.680 40 0 FHABMO O=C(Cc1ccco1)N1CCC[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306130973 210051298 /nfs/dbraw/zinc/05/12/98/210051298.db2.gz JTULWPXTPOSGHE-FQEVSTJZSA-N 1 1 372.428 3.896 40 0 FHABMO COc1ncccc1C[N@H+]1CC[C@@]2(CCn3c(-c4cccs4)cnc32)C1 ZINC000306131628 210054551 /nfs/dbraw/zinc/05/45/51/210054551.db2.gz KKLODLKVUJOUBE-HXUWFJFHSA-N 1 1 366.490 3.563 40 0 FHABMO COc1ncccc1C[N@H+]1CC[C@]2(CCn3c(-c4cccs4)cnc32)C1 ZINC000306131627 210054157 /nfs/dbraw/zinc/05/41/57/210054157.db2.gz KKLODLKVUJOUBE-FQEVSTJZSA-N 1 1 366.490 3.563 40 0 FHABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3cccs3)C[C@H]2N1Cc1ccccc1 ZINC000306126459 210049065 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Fc1ccc(C[N@@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)nc1 ZINC000257338394 223070691 /nfs/dbraw/zinc/07/06/91/223070691.db2.gz YXEZHMLFFUHTEZ-SFTDATJTSA-N 1 1 356.441 3.561 40 0 FHABMO Fc1ccc(C[N@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)nc1 ZINC000257338394 223070694 /nfs/dbraw/zinc/07/06/94/223070694.db2.gz YXEZHMLFFUHTEZ-SFTDATJTSA-N 1 1 356.441 3.561 40 0 FHABMO Cc1ccc(C[N@H+](CCNC(=O)c2cccs2)Cc2ccccn2)s1 ZINC000013991090 220101314 /nfs/dbraw/zinc/10/13/14/220101314.db2.gz DKPLPPLHZALIGN-UHFFFAOYSA-N 1 1 371.531 3.945 40 0 FHABMO Cc1ccc(C[N@@H+](CCNC(=O)c2cccs2)Cc2ccccn2)s1 ZINC000013991090 220101317 /nfs/dbraw/zinc/10/13/17/220101317.db2.gz DKPLPPLHZALIGN-UHFFFAOYSA-N 1 1 371.531 3.945 40 0 FHABMO N[C@@H](c1ccc(Br)cc1)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000022467046 211352790 /nfs/dbraw/zinc/35/27/90/211352790.db2.gz XURRKKYAGFWNPT-OKILXGFUSA-N 1 1 370.088 3.911 40 0 FHABMO COc1cccc(C[NH2+]C2(Cc3cc(-c4ccc(F)cc4)on3)COC2)c1 ZINC000067897877 211274426 /nfs/dbraw/zinc/27/44/26/211274426.db2.gz BKYYQZLUJMFNIA-UHFFFAOYSA-N 1 1 368.408 3.591 40 0 biogenic,in-vitro FHABMO Nc1nc(-c2ccccc2)nc2nc([C@@H]3CCC[N@@H+](CC4CC4)C3)ccc12 ZINC000019743342 211253326 /nfs/dbraw/zinc/25/33/26/211253326.db2.gz IMDLMHAHCIHNJK-QGZVFWFLSA-N 1 1 359.477 3.863 40 0 FHABMO C[N@@H+](CCOc1ccccc1)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1 ZINC000019586164 211238046 /nfs/dbraw/zinc/23/80/46/211238046.db2.gz BYLRTVUTQVZYNY-IBGZPJMESA-N 1 1 351.450 3.925 40 0 FHABMO C[N@@H+](CCc1ccccc1)Cc1cc(-c2ccc(F)cc2)cn2nnnc12 ZINC000019586217 211237541 /nfs/dbraw/zinc/23/75/41/211237541.db2.gz RPWMQNFEFYNEEK-UHFFFAOYSA-N 1 1 361.424 3.605 40 0 FHABMO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C)C1 ZINC000019714577 211246507 /nfs/dbraw/zinc/24/65/07/211246507.db2.gz CXXVPWCXLOLEAF-QGZVFWFLSA-N 1 1 359.477 3.909 40 0 FHABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1OC ZINC000019561001 211232892 /nfs/dbraw/zinc/23/28/92/211232892.db2.gz MCZIVTSZQYESCO-INIZCTEOSA-N 1 1 351.450 3.960 40 0 FHABMO CCC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019499265 211225852 /nfs/dbraw/zinc/22/58/52/211225852.db2.gz QAMNTSOZPXCCRN-QAPCUYQASA-N 1 1 361.486 3.762 40 0 FHABMO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccc(C)c3)CC[C@@H]21 ZINC000019235060 211210471 /nfs/dbraw/zinc/21/04/71/211210471.db2.gz COLUYKJCDJVJJZ-ACRUOGEOSA-N 1 1 354.519 3.893 40 0 FHABMO Cc1ccsc1C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@H](C)O ZINC000019238603 211209850 /nfs/dbraw/zinc/20/98/50/211209850.db2.gz DZYFVYNEKGSSKR-HNNXBMFYSA-N 1 1 359.470 3.764 40 0 FHABMO Nc1cc([C@@H]2CCC[N@@H+](Cc3ccoc3)C2)nc2cc(-c3ccco3)nn21 ZINC000019342514 211216253 /nfs/dbraw/zinc/21/62/53/211216253.db2.gz IGPXCJSCCTVIAO-OAHLLOKOSA-N 1 1 363.421 3.544 40 0 FHABMO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)no1)N1CCCC1 ZINC000019334024 211216130 /nfs/dbraw/zinc/21/61/30/211216130.db2.gz GULACEZZPBRNHM-INIZCTEOSA-N 1 1 373.884 3.944 40 0 FHABMO O=C(NC1CC1)c1cc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)no1 ZINC000019293405 211214419 /nfs/dbraw/zinc/21/44/19/211214419.db2.gz VFTOTJPRLXVFMO-CQSZACIVSA-N 1 1 359.857 3.600 40 0 FHABMO COc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H](O)c1ccc(C)cc1C)CC3 ZINC000019132537 211204544 /nfs/dbraw/zinc/20/45/44/211204544.db2.gz BTJGHBDZVPZKOS-JOCHJYFZSA-N 1 1 350.462 3.885 40 0 FHABMO COc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H](O)c1ccc(C)cc1C)CC3 ZINC000019132537 211204550 /nfs/dbraw/zinc/20/45/50/211204550.db2.gz BTJGHBDZVPZKOS-JOCHJYFZSA-N 1 1 350.462 3.885 40 0 FHABMO COc1cccc(C[N@H+]2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)c1 ZINC000019120782 211201305 /nfs/dbraw/zinc/20/13/05/211201305.db2.gz HYLPOYYZBRRSBR-HNNXBMFYSA-N 1 1 370.478 3.890 40 0 FHABMO CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@H+]2Cc1ccccc1F ZINC000019017771 211200156 /nfs/dbraw/zinc/20/01/56/211200156.db2.gz PXAOSERBMOGCIZ-CEMLEFRQSA-N 1 1 370.443 3.944 40 0 FHABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000019017767 211199853 /nfs/dbraw/zinc/19/98/53/211199853.db2.gz ADJLILPAUMWLGO-DNVJHFABSA-N 1 1 364.489 3.674 40 0 FHABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000049169104 221020893 /nfs/dbraw/zinc/02/08/93/221020893.db2.gz UTROAIQCOHBFFS-INIZCTEOSA-N 1 1 370.474 3.611 40 0 biogenic,in-vitro FHABMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000067800807 221286574 /nfs/dbraw/zinc/28/65/74/221286574.db2.gz NTAWGZLWRPOORU-UHFFFAOYSA-N 1 1 369.303 3.938 40 0 FHABMO CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2CCc3ccccc3C2)[nH+]1 ZINC000329010840 132372651 /nfs/dbraw/zinc/37/26/51/132372651.db2.gz MCHLZHDREUEADJ-SFHVURJKSA-N 1 1 354.498 3.592 40 0 FHABMO COc1ccc(C[C@H]2C[N@H+](C3CCOCC3)CC[C@H]2OCC2CC2)cc1 ZINC000096110310 222027491 /nfs/dbraw/zinc/02/74/91/222027491.db2.gz HSUGCFNRWYWJQA-SIKLNZKXSA-N 1 1 359.510 3.534 40 0 FHABMO Fc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)cc1 ZINC000096051134 222001166 /nfs/dbraw/zinc/00/11/66/222001166.db2.gz IAVKNZPIBOESGJ-LJQANCHMSA-N 1 1 361.411 3.958 40 0 FHABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)o1 ZINC000096215919 222082111 /nfs/dbraw/zinc/08/21/11/222082111.db2.gz OXTYRIPOIZUXSS-NRFANRHFSA-N 1 1 356.466 3.926 40 0 FHABMO COc1cccc(N[C@@H]2COC3(C2)CC[NH+](Cc2csc(C)n2)CC3)c1 ZINC000096221402 222085856 /nfs/dbraw/zinc/08/58/56/222085856.db2.gz OVUUCVRPUTZRKC-KRWDZBQOSA-N 1 1 373.522 3.696 40 0 FHABMO CC(=O)[C@H]1[C@@H]([NH+]2CC2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096903863 222137671 /nfs/dbraw/zinc/13/76/71/222137671.db2.gz YKAAPHAUSMBTTG-QGZPSTLZSA-N 1 1 357.538 3.809 40 0 FHABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)C[C@H]1C=CCC1 ZINC000100687619 222249634 /nfs/dbraw/zinc/24/96/34/222249634.db2.gz KRPCGJGUTDFNKL-GBESFXJTSA-N 1 1 372.557 3.570 40 0 FHABMO Cc1ccc([C@@H](CC(=O)N[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c2ccco2)cc1 ZINC000102683673 222303998 /nfs/dbraw/zinc/30/39/98/222303998.db2.gz ALGBIQNSNSQKKV-CUDHKJQZSA-N 1 1 354.494 3.955 40 0 FHABMO CC(C)(C)c1ccccc1OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020512217 263381716 /nfs/dbraw/zinc/38/17/16/263381716.db2.gz SSBTXVGTQQNWFA-UHFFFAOYSA-N 1 1 366.505 3.707 40 0 FHABMO COc1cc(CNCC[NH+](C)C)cc(Cl)c1OCc1cccs1 ZINC000022107619 263385325 /nfs/dbraw/zinc/38/53/25/263385325.db2.gz UTMPQZHSVKEKCJ-UHFFFAOYSA-N 1 1 354.903 3.640 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CSc1ccc(C)cc1 ZINC000020492697 527385844 /nfs/dbraw/zinc/38/58/44/527385844.db2.gz SYDPHDCITWEFHC-UHFFFAOYSA-N 1 1 351.475 3.898 40 0 FHABMO CC[N@@H+](C)[C@H]1CN(C(=O)CCc2ccc(OC)cc2)C2(C1)CCCCC2 ZINC000257239220 527864579 /nfs/dbraw/zinc/86/45/79/527864579.db2.gz HOLBDFOSOPORRF-LJQANCHMSA-N 1 1 358.526 3.883 40 0 FHABMO CCNc1cc(N2CCc3cc(OC)c(OC)cc3C2)[nH+]c(C(C)C)n1 ZINC000329051931 535522085 /nfs/dbraw/zinc/52/20/85/535522085.db2.gz UZTJAPNIGRXSAA-UHFFFAOYSA-N 1 1 356.470 3.612 40 0 FHABMO CC(C)[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3ccc(F)cc3F)ccc1C(=O)N2C ZINC000514289877 560031300 /nfs/dbraw/zinc/03/13/00/560031300.db2.gz PPXUAOBINJNSEJ-QUCCMNQESA-N 1 1 372.415 3.557 40 0 biogenic,in-vitro FHABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(NC(C)=O)cc4)C3)nc2c1 ZINC000035446806 560079270 /nfs/dbraw/zinc/07/92/70/560079270.db2.gz LJEMNKUVXMULAN-INIZCTEOSA-N 1 1 364.449 3.519 40 0 biogenic,in-vitro FHABMO COc1ccc2nc([C@H]3CC[N@H+](Cc4ccc(NC(C)=O)cc4)C3)[nH]c2c1 ZINC000035446806 560079271 /nfs/dbraw/zinc/07/92/71/560079271.db2.gz LJEMNKUVXMULAN-INIZCTEOSA-N 1 1 364.449 3.519 40 0 biogenic,in-vitro FHABMO COc1ccc2nc([C@H]3CC[N@@H+](Cc4ccc(NC(C)=O)cc4)C3)[nH]c2c1 ZINC000035446806 560079272 /nfs/dbraw/zinc/07/92/72/560079272.db2.gz LJEMNKUVXMULAN-INIZCTEOSA-N 1 1 364.449 3.519 40 0 biogenic,in-vitro FHABMO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000216324758 568118115 /nfs/dbraw/zinc/11/81/15/568118115.db2.gz IQZFMELLLJIXEM-OWCLPIDISA-N 1 1 352.906 3.592 40 0 FHABMO C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000222842146 568570847 /nfs/dbraw/zinc/57/08/47/568570847.db2.gz GCDMCKIQVSPBQN-MSOLQXFVSA-N 1 1 358.526 3.571 40 0 FHABMO COc1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1C ZINC000223274410 568633097 /nfs/dbraw/zinc/63/30/97/568633097.db2.gz MSLDJNHYDPZDAK-UHFFFAOYSA-N 1 1 363.461 3.747 40 0 FHABMO COc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1Cl ZINC000223717435 568710298 /nfs/dbraw/zinc/71/02/98/568710298.db2.gz KJVZDJOLPSTRHR-UHFFFAOYSA-N 1 1 355.825 3.773 40 0 FHABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216478 570533313 /nfs/dbraw/zinc/53/33/13/570533313.db2.gz RZQQKVMONTYONF-GOSISDBHSA-N 1 1 374.529 3.686 40 0 FHABMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216419 570533455 /nfs/dbraw/zinc/53/34/55/570533455.db2.gz XJQLTJSFRVFDRX-SFHVURJKSA-N 1 1 374.529 3.686 40 0 FHABMO Cc1ccc([C@H](CC(=O)N[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c2ccco2)cc1 ZINC000004812405 570607936 /nfs/dbraw/zinc/60/79/36/570607936.db2.gz ALGBIQNSNSQKKV-ZULIPRJHSA-N 1 1 354.494 3.955 40 0 FHABMO S=C(NCc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000035290357 570636229 /nfs/dbraw/zinc/63/62/29/570636229.db2.gz PNNGJEOPMYKQOY-SEJPIABJSA-N 1 1 365.546 3.846 40 0 FHABMO COc1ccccc1C[NH+]1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC000012113653 570718771 /nfs/dbraw/zinc/71/87/71/570718771.db2.gz MTMDODMFOCRDLU-UHFFFAOYSA-N 1 1 355.409 3.834 40 0 FHABMO CCOc1ccc(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119119 570720298 /nfs/dbraw/zinc/72/02/98/570720298.db2.gz RCIYSFJSMKMOJC-QGZVFWFLSA-N 1 1 352.434 3.830 40 0 FHABMO COc1cc(C)c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1C ZINC000012135008 570720586 /nfs/dbraw/zinc/72/05/86/570720586.db2.gz KCFXASUERUKMJE-TYABSZSSSA-N 1 1 366.505 3.827 40 0 FHABMO COc1ccc2cc(C[N@@H+](C)[C@H](C)Cc3ccccn3)c(OC)nc2c1 ZINC000012148177 570723099 /nfs/dbraw/zinc/72/30/99/570723099.db2.gz KDPUDVQJKPYIQY-OAHLLOKOSA-N 1 1 351.450 3.710 40 0 FHABMO CCSc1ncc(C[N@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012188848 570725231 /nfs/dbraw/zinc/72/52/31/570725231.db2.gz AHXPKXBRGRBMSW-IBGZPJMESA-N 1 1 361.486 3.601 40 0 FHABMO Cc1cc2c(cc1C[N@H+]1CCC[C@](O)(c3ccc(F)cc3)CC1)OCO2 ZINC000012188841 570725268 /nfs/dbraw/zinc/72/52/68/570725268.db2.gz XSUDUSKACQCLMF-OAQYLSRUSA-N 1 1 357.425 3.737 40 0 FHABMO CCCO[C@H]1CCC[N@@H+](Cc2cn(CC(=O)NC(C)C)c3ccccc23)C1 ZINC000012364447 570739291 /nfs/dbraw/zinc/73/92/91/570739291.db2.gz GSLSGQLOTILTGT-IBGZPJMESA-N 1 1 371.525 3.557 40 0 FHABMO Fc1ccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)cc1F ZINC000012668480 570756407 /nfs/dbraw/zinc/75/64/07/570756407.db2.gz HKTDQRXSMLLGQW-UHFFFAOYSA-N 1 1 356.376 3.789 40 0 FHABMO O=C(NC1CCCCC1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000208870384 570962095 /nfs/dbraw/zinc/96/20/95/570962095.db2.gz XYFFWKNNDVHJII-UYWIDEMCSA-N 1 1 357.542 3.924 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cc1ccc(Cl)cc1F ZINC000224533523 570992228 /nfs/dbraw/zinc/99/22/28/570992228.db2.gz GDHNWLOZSKFGLQ-UHFFFAOYSA-N 1 1 357.816 3.832 40 0 FHABMO COC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCCC1 ZINC000225626027 571050701 /nfs/dbraw/zinc/05/07/01/571050701.db2.gz GGOGBNIWUPQZMW-KRWDZBQOSA-N 1 1 360.498 3.838 40 0 FHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000225813520 571069298 /nfs/dbraw/zinc/06/92/98/571069298.db2.gz DLVIPRLTFXCAKK-MRXNPFEDSA-N 1 1 372.431 3.855 40 0 FHABMO C[C@H]1CCC[N@@H+](C[C@@H](O)COCC(c2ccccc2)c2ccccc2)C1 ZINC000226170674 571076469 /nfs/dbraw/zinc/07/64/69/571076469.db2.gz XNXJVORMCRDQEW-SIKLNZKXSA-N 1 1 353.506 3.928 40 0 FHABMO COc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1OC ZINC000038834981 571086988 /nfs/dbraw/zinc/08/69/88/571086988.db2.gz JPVZYBNYRMOWNZ-UHFFFAOYSA-N 1 1 351.406 3.509 40 0 FHABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(OC)c1 ZINC000038834652 571087047 /nfs/dbraw/zinc/08/70/47/571087047.db2.gz UKLKQRKCHAPPIL-MRXNPFEDSA-N 1 1 372.440 3.694 40 0 FHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)C1 ZINC000038849361 571087821 /nfs/dbraw/zinc/08/78/21/571087821.db2.gz IYYDQSOWIFIAMO-HNNXBMFYSA-N 1 1 352.434 3.900 40 0 FHABMO CCOCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038856814 571088394 /nfs/dbraw/zinc/08/83/94/571088394.db2.gz SUGBLSRWIZDNKE-HNNXBMFYSA-N 1 1 373.324 3.748 40 0 FHABMO CCOCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038856814 571088395 /nfs/dbraw/zinc/08/83/95/571088395.db2.gz SUGBLSRWIZDNKE-HNNXBMFYSA-N 1 1 373.324 3.748 40 0 FHABMO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000044845968 571102861 /nfs/dbraw/zinc/10/28/61/571102861.db2.gz WRJRCZGDIAPEDI-WSTZPKSXSA-N 1 1 360.542 3.945 40 0 FHABMO O=C(NCCCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044909246 571104458 /nfs/dbraw/zinc/10/44/58/571104458.db2.gz RGFDQPPVZJDRQU-FQEVSTJZSA-N 1 1 354.469 3.787 40 0 FHABMO CCOc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044912579 571104725 /nfs/dbraw/zinc/10/47/25/571104725.db2.gz ZSJNCLHOTWCRLT-LJQANCHMSA-N 1 1 370.468 3.753 40 0 FHABMO COc1ccccc1[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000260767947 571122509 /nfs/dbraw/zinc/12/25/09/571122509.db2.gz QZMXYQXOUUUCTL-AEFFLSMTSA-N 1 1 370.468 3.924 40 0 FHABMO O=C1CCCN1c1ccc(C[NH2+]Cc2csc(-c3ccccn3)n2)cc1 ZINC000123992628 571123967 /nfs/dbraw/zinc/12/39/67/571123967.db2.gz VUTZAHOEBXXEIF-UHFFFAOYSA-N 1 1 364.474 3.622 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)o1 ZINC000248059831 571127308 /nfs/dbraw/zinc/12/73/08/571127308.db2.gz CVVMBBBQWHFGPD-RTWAWAEBSA-N 1 1 356.466 3.571 40 0 FHABMO Cc1ccsc1C[N@H+]1Cc2ccnn2C[C@H](OCc2csc(C)n2)C1 ZINC000248064970 571127366 /nfs/dbraw/zinc/12/73/66/571127366.db2.gz WQXITVHCRYNPOT-QGZVFWFLSA-N 1 1 374.535 3.619 40 0 FHABMO Cc1ccsc1C[N@@H+]1Cc2ccnn2C[C@H](OCc2csc(C)n2)C1 ZINC000248064970 571127367 /nfs/dbraw/zinc/12/73/67/571127367.db2.gz WQXITVHCRYNPOT-QGZVFWFLSA-N 1 1 374.535 3.619 40 0 FHABMO Cc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2CCOCc1ccncc1 ZINC000248134929 571127925 /nfs/dbraw/zinc/12/79/25/571127925.db2.gz CIZBRPAVWPHJJA-NRFANRHFSA-N 1 1 352.478 3.588 40 0 FHABMO Cc1ncc2c(n1)[C@]1(CC[N@@H+](Cc3ccc(C(C)(C)C)cc3)C1)COC2 ZINC000248192751 571128216 /nfs/dbraw/zinc/12/82/16/571128216.db2.gz MMLLWKAZPNHEDR-QFIPXVFZSA-N 1 1 351.494 3.756 40 0 FHABMO CC(C)C[N@H+]1CCC[C@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330470 571178798 /nfs/dbraw/zinc/17/87/98/571178798.db2.gz ZRRGUCMWVIAMDN-REWPJTCUSA-N 1 1 365.521 3.850 40 0 FHABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cccc(Cc4ccc(F)cc4)n3)C2)cn1 ZINC000072349978 571181309 /nfs/dbraw/zinc/18/13/09/571181309.db2.gz ZBUVLOVNEBCFBY-LJQANCHMSA-N 1 1 364.468 3.925 40 0 FHABMO Cc1nccn1-c1nccnc1[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072350649 571182049 /nfs/dbraw/zinc/18/20/49/571182049.db2.gz DBUNONFUUDPDFZ-FQEVSTJZSA-N 1 1 361.493 3.783 40 0 FHABMO Cc1cccc(Nc2cncc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)n1 ZINC000072360967 571184362 /nfs/dbraw/zinc/18/43/62/571184362.db2.gz FFDPVGYANRTSHK-SFHVURJKSA-N 1 1 360.465 3.698 40 0 FHABMO Cn1nccc1C[N@@H+]1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1 ZINC000072362826 571184594 /nfs/dbraw/zinc/18/45/94/571184594.db2.gz CAFAGNOSRRAUEE-HNNXBMFYSA-N 1 1 367.428 3.521 40 0 FHABMO Cn1nccc1C[N@H+]1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1 ZINC000072362826 571184598 /nfs/dbraw/zinc/18/45/98/571184598.db2.gz CAFAGNOSRRAUEE-HNNXBMFYSA-N 1 1 367.428 3.521 40 0 FHABMO COc1ccc(Oc2nccnc2[C@H]2CCC[N@H+](C3CCOCC3)C2)cc1 ZINC000072362845 571184624 /nfs/dbraw/zinc/18/46/24/571184624.db2.gz ADAILIAEIFPQBV-INIZCTEOSA-N 1 1 369.465 3.636 40 0 FHABMO COc1cccc(-c2noc([C@H]3CC[N@@H+](Cc4cccc(F)c4)C3)n2)c1 ZINC000072369888 571185093 /nfs/dbraw/zinc/18/50/93/571185093.db2.gz HQKBNNHDHRUKNB-INIZCTEOSA-N 1 1 353.397 3.874 40 0 FHABMO COc1cccc(C[N@H+]2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389955 571189298 /nfs/dbraw/zinc/18/92/98/571189298.db2.gz OHTQHNFWZFRLIA-KRWDZBQOSA-N 1 1 350.422 3.520 40 0 FHABMO COc1ccc2c(c1)c(C[N@H+]1CCC[C@@H](Cn3ccnc3C)C1)c(C)n2C ZINC000072392147 571189975 /nfs/dbraw/zinc/18/99/75/571189975.db2.gz VMSARXXENCBJRJ-GOSISDBHSA-N 1 1 366.509 3.912 40 0 FHABMO COc1ccc2c(c1)c([C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]1N(C)C)cn2C ZINC000072395501 571190617 /nfs/dbraw/zinc/19/06/17/571190617.db2.gz VMWOPEQPSFORLT-JTHBVZDNSA-N 1 1 363.505 3.717 40 0 FHABMO COc1ccc2c(c1)c([C@@H]1CN(Cc3ccccc3)C[C@H]1[NH+](C)C)cn2C ZINC000072395501 571190619 /nfs/dbraw/zinc/19/06/19/571190619.db2.gz VMWOPEQPSFORLT-JTHBVZDNSA-N 1 1 363.505 3.717 40 0 FHABMO CCn1cc(C[N@H+]2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)cn1 ZINC000585100679 571221339 /nfs/dbraw/zinc/22/13/39/571221339.db2.gz SMLMDBYWRHUNIP-QFIPXVFZSA-N 1 1 372.557 3.830 40 0 FHABMO COc1cccc2cc(C(=O)N3CCC[C@]4(CC[N@H+]4CC(C)C)C3)oc21 ZINC000585102055 571222212 /nfs/dbraw/zinc/22/22/12/571222212.db2.gz OWJAYCFOUXXANQ-NRFANRHFSA-N 1 1 356.466 3.778 40 0 FHABMO C[C@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1 ZINC000253603526 571291836 /nfs/dbraw/zinc/29/18/36/571291836.db2.gz ZDJXYZAJHDCBSI-DOTOQJQBSA-N 1 1 366.509 3.671 40 0 FHABMO C[C@@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1 ZINC000253603527 571291867 /nfs/dbraw/zinc/29/18/67/571291867.db2.gz ZDJXYZAJHDCBSI-NVXWUHKLSA-N 1 1 366.509 3.671 40 0 FHABMO COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@@H]3C2)c1 ZINC000012329693 571303490 /nfs/dbraw/zinc/30/34/90/571303490.db2.gz HYMIIRVRJSDLIF-QTGUNEKASA-N 1 1 367.489 3.824 40 0 FHABMO C[C@H](CC[N@H+]1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1)c1ccccc1 ZINC000019455610 571304072 /nfs/dbraw/zinc/30/40/72/571304072.db2.gz WTNDVPBYVSXRMO-YLJYHZDGSA-N 1 1 374.488 3.815 40 0 FHABMO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2Cc1nc2ccccc2n1C(C)C ZINC000019712570 571304573 /nfs/dbraw/zinc/30/45/73/571304573.db2.gz JCEIIRKGMJUUOW-WOJBJXKFSA-N 1 1 354.498 3.593 40 0 FHABMO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@@H+]2Cc1ccc(F)c(F)c1 ZINC000019712591 571304612 /nfs/dbraw/zinc/30/46/12/571304612.db2.gz QATPBMWKUODAHM-WEYGHZABSA-N 1 1 370.443 3.992 40 0 FHABMO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccc(Cl)cc3)[nH]2)cc1OC ZINC000095534238 571331509 /nfs/dbraw/zinc/33/15/09/571331509.db2.gz SLTRGRFYPFSLLW-INIZCTEOSA-N 1 1 358.829 3.581 40 0 FHABMO c1csc(-c2ccc(N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)nn2)c1 ZINC000409430509 931630970 /nfs/dbraw/zinc/63/09/70/931630970.db2.gz WJOUWGRPDZGMHO-HDICACEKSA-N 1 1 362.502 3.773 40 0 FHABMO CCc1nccn1-c1cc[nH+]c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000257302824 529759539 /nfs/dbraw/zinc/75/95/39/529759539.db2.gz SEQJYHHNCFODLO-HNNXBMFYSA-N 1 1 356.470 3.944 40 0 FHABMO C[NH+]1CCC(N2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)CC1 ZINC000257288726 530049885 /nfs/dbraw/zinc/04/98/85/530049885.db2.gz PVIISNCRJLTDMH-UHFFFAOYSA-N 1 1 371.500 3.852 40 0 FHABMO Cc1ccc(C(=O)N2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCC[N@@H+]3C)c(=O)[nH]1 ZINC000257209617 223020527 /nfs/dbraw/zinc/02/05/27/223020527.db2.gz BRDIGORZHUMEKC-SLFFLAALSA-N 1 1 365.477 3.536 40 0 FHABMO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@@H+](Cc3nccs3)C2)n1 ZINC000257213037 223021181 /nfs/dbraw/zinc/02/11/81/223021181.db2.gz CFXQDHRWVKYRLN-OAHLLOKOSA-N 1 1 354.479 3.875 40 0 FHABMO Cc1cc(C)nc(Nc2ccc([C@@H]3C[N@H+](C4CCCCC4)CCO3)nc2)n1 ZINC000257230019 223029816 /nfs/dbraw/zinc/02/98/16/223029816.db2.gz GAKHFGXCYGBGII-FQEVSTJZSA-N 1 1 367.497 3.938 40 0 FHABMO O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H]2[C@H](C1)CCCC[N@H+]2CC1CC1 ZINC000257329949 223068148 /nfs/dbraw/zinc/06/81/48/223068148.db2.gz XMDOXBAHPVSEOD-PGRDOPGGSA-N 1 1 365.521 3.823 40 0 FHABMO Cc1ncsc1C[N@H+]1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257335404 223070912 /nfs/dbraw/zinc/07/09/12/223070912.db2.gz YJZQQRFAKPCWIZ-PMACEKPBSA-N 1 1 358.507 3.792 40 0 FHABMO O=C1NC2(CC[NH+](Cc3ccoc3)CC2)c2nc(-c3ccccc3)sc21 ZINC000306131304 223108087 /nfs/dbraw/zinc/10/80/87/223108087.db2.gz KAVXQLOUTLIIJO-UHFFFAOYSA-N 1 1 365.458 3.638 40 0 FHABMO C[NH+](C)CC1CCC2(CC1)CN(Cc1cccnc1)Cc1ccccc1O2 ZINC000012088445 219951953 /nfs/dbraw/zinc/95/19/53/219951953.db2.gz VHVASDKSLCWDAW-UHFFFAOYSA-N 1 1 365.521 3.967 40 0 FHABMO Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]Cc3ccco3)cc12 ZINC000013564689 220075262 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357.417 3.669 40 0 FHABMO O=c1cc([C@H]2CCCC[N@H+]2Cc2cccs2)nc(-c2ccncc2)[nH]1 ZINC000019343482 220251957 /nfs/dbraw/zinc/25/19/57/220251957.db2.gz OCLWFEXEIUTSCV-QGZVFWFLSA-N 1 1 352.463 3.621 40 0 FHABMO O=C1CCC[C@]2(C[N@@H+](Cc3ccc(F)cc3)C[C@H]2c2cc(F)ccc2F)N1 ZINC000019334493 220251980 /nfs/dbraw/zinc/25/19/80/220251980.db2.gz BNFOKKPQYANLGB-GHTZIAJQSA-N 1 1 374.406 3.742 40 0 FHABMO OCC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(Oc2ccccc2)c1 ZINC000019373576 220256320 /nfs/dbraw/zinc/25/63/20/220256320.db2.gz WLUGVQIVOLACTM-PMACEKPBSA-N 1 1 352.478 3.510 40 0 FHABMO COc1ccc(C[N@H+](Cc2ccc3ccccc3n2)C[C@H](C)O)cc1OC ZINC000019456003 220258205 /nfs/dbraw/zinc/25/82/05/220258205.db2.gz PPPZPCFNJKUAEN-INIZCTEOSA-N 1 1 366.461 3.635 40 0 FHABMO CCC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019499267 220263152 /nfs/dbraw/zinc/26/31/52/220263152.db2.gz QAMNTSOZPXCCRN-YJBOKZPZSA-N 1 1 361.486 3.762 40 0 FHABMO CCOc1ccccc1C[N@H+]1CCC[C@@H](c2nn(C)c3ncccc23)C1 ZINC000019520173 220265688 /nfs/dbraw/zinc/26/56/88/220265688.db2.gz HQWVIHUPBZGVGY-QGZVFWFLSA-N 1 1 350.466 3.747 40 0 FHABMO CC[N@H+]1CCC[C@@H]1CNc1ncc(-c2cnccn2)c(-c2cccs2)n1 ZINC000019527270 220267956 /nfs/dbraw/zinc/26/79/56/220267956.db2.gz FAQNDSLDLFDKPR-CQSZACIVSA-N 1 1 366.494 3.558 40 0 FHABMO CC[N@H+]1CCC[C@H]1CN(Cc1c[nH]nc1C(C)(C)C)Cc1ccccn1 ZINC000019527154 220268974 /nfs/dbraw/zinc/26/89/74/220268974.db2.gz QBHGCPOOLWIGCX-IBGZPJMESA-N 1 1 355.530 3.589 40 0 FHABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1c(OC)cccc1OC ZINC000019527212 220269613 /nfs/dbraw/zinc/26/96/13/220269613.db2.gz HYBAWURYOAXLAY-IBGZPJMESA-N 1 1 369.509 3.585 40 0 FHABMO Cc1noc(C)c1C(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@@H+]2C ZINC000019580081 220276105 /nfs/dbraw/zinc/27/61/05/220276105.db2.gz HYAJPSARFFFBNC-SFHLNBCPSA-N 1 1 367.493 3.774 40 0 FHABMO C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)c1cccnc1 ZINC000019590817 220278568 /nfs/dbraw/zinc/27/85/68/220278568.db2.gz LOTGOKQOXWJYIZ-HBMCJLEFSA-N 1 1 367.468 3.703 40 0 FHABMO CN1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](CCCc1ccccc1)C2 ZINC000019588984 220279250 /nfs/dbraw/zinc/27/92/50/220279250.db2.gz MZXITCUZGLDICB-OAQYLSRUSA-N 1 1 350.510 3.624 40 0 FHABMO Fc1ccc(OCCc2cc([C@H]3CCC[N@@H+]3Cc3cccnc3)[nH]n2)cc1 ZINC000019703680 220285789 /nfs/dbraw/zinc/28/57/89/220285789.db2.gz YXJCARDMSBNPHP-OAQYLSRUSA-N 1 1 366.440 3.902 40 0 FHABMO Fc1ccc(OCCc2cc([C@H]3CCC[N@H+]3Cc3cccnc3)[nH]n2)cc1 ZINC000019703680 220285794 /nfs/dbraw/zinc/28/57/94/220285794.db2.gz YXJCARDMSBNPHP-OAQYLSRUSA-N 1 1 366.440 3.902 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCSc2ccccc2)cc1 ZINC000022512458 220388285 /nfs/dbraw/zinc/38/82/85/220388285.db2.gz NEDMZPGNZLXBTB-UHFFFAOYSA-N 1 1 351.475 3.979 40 0 FHABMO Cc1cc(N2CCO[C@@H](c3cccc(Cc4ccccc4C)n3)C2)nc(C)[nH+]1 ZINC000257282178 132296481 /nfs/dbraw/zinc/29/64/81/132296481.db2.gz OSRXCJXOPIXUBS-JOCHJYFZSA-N 1 1 374.488 3.966 40 0 FHABMO Cc1nc(NC2CC2)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329016443 132297641 /nfs/dbraw/zinc/29/76/41/132297641.db2.gz NGNXWQKTFPJBHY-UHFFFAOYSA-N 1 1 359.271 3.685 40 0 FHABMO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccccc3Cl)n[nH]2)cc1OCC ZINC000095534568 221958996 /nfs/dbraw/zinc/95/89/96/221958996.db2.gz UJFYCESXXJTHKV-KRWDZBQOSA-N 1 1 372.856 3.971 40 0 FHABMO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096100329 222022141 /nfs/dbraw/zinc/02/21/41/222022141.db2.gz CRFHLKMZOFBSOI-JOCHJYFZSA-N 1 1 350.437 3.726 40 0 FHABMO COc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)cc1 ZINC000096239576 222093571 /nfs/dbraw/zinc/09/35/71/222093571.db2.gz QKWMQDSSHPCFBK-HXUWFJFHSA-N 1 1 373.447 3.828 40 0 FHABMO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@@H+](Cc2cccnc2)C1 ZINC000096244653 222099036 /nfs/dbraw/zinc/09/90/36/222099036.db2.gz BXHGOTKHDZBRSN-QHCPKHFHSA-N 1 1 372.472 3.521 40 0 FHABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000010544198 263366318 /nfs/dbraw/zinc/36/63/18/263366318.db2.gz LAAWTQWCUMQMCT-GOSISDBHSA-N 1 1 352.544 3.545 40 0 FHABMO Fc1ccc(F)c(C[N@H+]2CCC[C@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)c1 ZINC000257248693 534479405 /nfs/dbraw/zinc/47/94/05/534479405.db2.gz JEUDUOPIRWVVAP-CQSZACIVSA-N 1 1 369.419 3.600 40 0 FHABMO c1cncc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306137932 534508367 /nfs/dbraw/zinc/50/83/67/534508367.db2.gz RKGNRFLJMRVDNS-FQEVSTJZSA-N 1 1 370.460 3.566 40 0 FHABMO c1csc(C[N@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306143852 534520292 /nfs/dbraw/zinc/52/02/92/534520292.db2.gz YOLYAIIYTKPALH-OAQYLSRUSA-N 1 1 362.502 3.702 40 0 FHABMO c1csc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306124111 534520537 /nfs/dbraw/zinc/52/05/37/534520537.db2.gz BGHCPONYBNOAJD-QGZVFWFLSA-N 1 1 361.474 3.842 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)Oc1ccccc1Cl ZINC000020457660 527386336 /nfs/dbraw/zinc/38/63/36/527386336.db2.gz KMJFNHPDYMVRED-AWEZNQCLSA-N 1 1 369.852 3.918 40 0 FHABMO CC(C)(C)C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccccc3F)n[nH]2)C1 ZINC000257246172 527684413 /nfs/dbraw/zinc/68/44/13/527684413.db2.gz ISVZNMNVZNGBOV-LJQANCHMSA-N 1 1 361.461 3.590 40 0 FHABMO CC(C)(C)C[N@H+]1CCO[C@@H](c2cc(CCOc3ccccc3F)n[nH]2)C1 ZINC000257246172 527684418 /nfs/dbraw/zinc/68/44/18/527684418.db2.gz ISVZNMNVZNGBOV-LJQANCHMSA-N 1 1 361.461 3.590 40 0 FHABMO CC(C)c1ccc(OCCc2cc([C@H]3C[N@H+](CC4CC4)CCO3)[nH]n2)cc1 ZINC000257224819 528123990 /nfs/dbraw/zinc/12/39/90/528123990.db2.gz FDNCDGRYLLTCBF-JOCHJYFZSA-N 1 1 369.509 3.938 40 0 FHABMO CC(C)c1ccc(OCCc2cc([C@H]3C[N@@H+](CC4CC4)CCO3)[nH]n2)cc1 ZINC000257224819 528123993 /nfs/dbraw/zinc/12/39/93/528123993.db2.gz FDNCDGRYLLTCBF-JOCHJYFZSA-N 1 1 369.509 3.938 40 0 FHABMO CC(C)[N@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccncc3)C(=O)C[C@@H]12 ZINC000306139889 529072723 /nfs/dbraw/zinc/07/27/23/529072723.db2.gz UDMSCPZDEJHFCF-FYYLOGMGSA-N 1 1 363.505 3.625 40 0 FHABMO CC(C)[N@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccncc3)C(=O)C[C@H]12 ZINC000306139892 529072790 /nfs/dbraw/zinc/07/27/90/529072790.db2.gz UDMSCPZDEJHFCF-JTHBVZDNSA-N 1 1 363.505 3.625 40 0 FHABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccs3)n2)cn1 ZINC000035426275 560080670 /nfs/dbraw/zinc/08/06/70/560080670.db2.gz MKIWBGXYROHMSJ-HNNXBMFYSA-N 1 1 355.467 3.596 40 0 biogenic,in-vitro FHABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccs3)n2)cn1 ZINC000035426275 560080672 /nfs/dbraw/zinc/08/06/72/560080672.db2.gz MKIWBGXYROHMSJ-HNNXBMFYSA-N 1 1 355.467 3.596 40 0 biogenic,in-vitro FHABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)cc1 ZINC000096046951 570472986 /nfs/dbraw/zinc/47/29/86/570472986.db2.gz NJAOWTPPKYPKKH-QFIPXVFZSA-N 1 1 351.494 3.578 40 0 FHABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)c1 ZINC000096040172 570473095 /nfs/dbraw/zinc/47/30/95/570473095.db2.gz ZUZCLTRYPZAVFM-WOJBJXKFSA-N 1 1 358.507 3.731 40 0 FHABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3ccc(O)cc3)CC2)c(C)c1 ZINC000585272448 570486828 /nfs/dbraw/zinc/48/68/28/570486828.db2.gz IUTOKCFSYFYTCO-QFIPXVFZSA-N 1 1 355.478 3.805 40 0 FHABMO Cc1cccc(N2CCC(O)(C[N@H+]3CCC[C@H]4OC(C)(C)CC[C@H]43)CC2)c1 ZINC000585284673 570493953 /nfs/dbraw/zinc/49/39/53/570493953.db2.gz HZAOSAABLPLBLS-NHCUHLMSSA-N 1 1 372.553 3.748 40 0 FHABMO CN1CCN(c2ccc([C@H]3CCCC[N@@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216549 570533414 /nfs/dbraw/zinc/53/34/14/570533414.db2.gz IFCDAYCFPSVIIY-OAQYLSRUSA-N 1 1 350.510 3.561 40 0 FHABMO CN1CCN(c2ccc([C@H]3CCCC[N@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216549 570533417 /nfs/dbraw/zinc/53/34/17/570533417.db2.gz IFCDAYCFPSVIIY-OAQYLSRUSA-N 1 1 350.510 3.561 40 0 FHABMO Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072219426 570534886 /nfs/dbraw/zinc/53/48/86/570534886.db2.gz PWFHRXNKDUNQHX-NRFANRHFSA-N 1 1 351.494 3.954 40 0 FHABMO CCOc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072228109 570536128 /nfs/dbraw/zinc/53/61/28/570536128.db2.gz XNTCZJARRKATKW-CVEARBPZSA-N 1 1 351.233 3.807 40 0 FHABMO CCOC(=O)/C=C1\C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C[C@H]1CC ZINC000005353558 570623890 /nfs/dbraw/zinc/62/38/90/570623890.db2.gz XVPICYCPIBJEBT-FKTQOLNDSA-N 1 1 359.466 3.522 40 0 FHABMO CC(C)CNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000008687072 570684812 /nfs/dbraw/zinc/68/48/12/570684812.db2.gz LKAUYFUJHOLBHK-MQVJKMGUSA-N 1 1 351.585 3.754 40 0 FHABMO FC(F)(F)c1cc([C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129194 570720607 /nfs/dbraw/zinc/72/06/07/570720607.db2.gz OAGWJYMYJUEBIF-VNQPRFMTSA-N 1 1 365.399 3.648 40 0 FHABMO COc1ccc(C[N@H+](Cc2[nH]c3ccccc3c2C)C[C@H](C)O)cc1OC ZINC000012185545 570724680 /nfs/dbraw/zinc/72/46/80/570724680.db2.gz OWPZRJNRXHONRH-HNNXBMFYSA-N 1 1 368.477 3.877 40 0 FHABMO Cc1cc2c(cc1C[N@H+]1CCC[C@@](O)(c3ccc(F)cc3)CC1)OCO2 ZINC000012188840 570725388 /nfs/dbraw/zinc/72/53/88/570725388.db2.gz XSUDUSKACQCLMF-NRFANRHFSA-N 1 1 357.425 3.737 40 0 FHABMO O=C(CCc1ccc(Cl)cc1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000225310677 571027404 /nfs/dbraw/zinc/02/74/04/571027404.db2.gz KLPPQGXUZCIITA-UHFFFAOYSA-N 1 1 356.897 3.837 40 0 FHABMO Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000030862573 571051656 /nfs/dbraw/zinc/05/16/56/571051656.db2.gz BTXGDBAHAYRKEH-HXUWFJFHSA-N 1 1 366.505 3.724 40 0 FHABMO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000038834451 571087153 /nfs/dbraw/zinc/08/71/53/571087153.db2.gz PWXWTFBNHKMZSS-IBGZPJMESA-N 1 1 366.461 3.714 40 0 FHABMO Cc1ccc(C[N@H+]2CCO[C@H]3C[C@@H](COCc4cccc(C)n4)C[C@H]32)s1 ZINC000248127790 571127779 /nfs/dbraw/zinc/12/77/79/571127779.db2.gz XODLUZWKOYXKFN-WMQCIHAUSA-N 1 1 372.534 3.956 40 0 FHABMO CCCCC(=O)N1CCC[C@@H]([N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C)C1 ZINC000072342508 571179620 /nfs/dbraw/zinc/17/96/20/571179620.db2.gz BPMSWIXPPOYMTI-FUHWJXTLSA-N 1 1 374.525 3.804 40 0 FHABMO Cc1nc(=O)c2cc(Cl)ccc2n1C1=CC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC000072348331 571179998 /nfs/dbraw/zinc/17/99/98/571179998.db2.gz PZXJUQOTLJAWQN-QGZVFWFLSA-N 1 1 371.868 3.598 40 0 FHABMO CCCN1CC[N@@H+](CC2CC2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351566 571181984 /nfs/dbraw/zinc/18/19/84/571181984.db2.gz MCIJGXBZQIAJGY-QFIPXVFZSA-N 1 1 363.505 3.624 40 0 FHABMO Cc1c(C[N@H+]2CCC[C@H]2c2ccc(Nc3cccc(C)n3)cn2)cnn1C ZINC000072353080 571182024 /nfs/dbraw/zinc/18/20/24/571182024.db2.gz NWWJANNLCYBHJW-FQEVSTJZSA-N 1 1 362.481 3.908 40 0 FHABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072355445 571182335 /nfs/dbraw/zinc/18/23/35/571182335.db2.gz CETDDNMVAWAZNZ-QGZVFWFLSA-N 1 1 365.456 3.743 40 0 FHABMO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072358577 571183525 /nfs/dbraw/zinc/18/35/25/571183525.db2.gz LQNFRZZWVXJNRM-GOSISDBHSA-N 1 1 360.461 3.927 40 0 FHABMO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072358615 571183658 /nfs/dbraw/zinc/18/36/58/571183658.db2.gz YAWPRVUNKHRCBJ-QGZVFWFLSA-N 1 1 360.461 3.927 40 0 FHABMO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000072359071 571183937 /nfs/dbraw/zinc/18/39/37/571183937.db2.gz KQISKZSOZKGPJP-MRXNPFEDSA-N 1 1 353.466 3.511 40 0 FHABMO Cc1cc(Nc2ccccn2)nc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072359985 571184090 /nfs/dbraw/zinc/18/40/90/571184090.db2.gz XLSYPWKYYWBLLZ-GOSISDBHSA-N 1 1 360.465 3.698 40 0 FHABMO Cc1nc(Nc2nccs2)cc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072360208 571184324 /nfs/dbraw/zinc/18/43/24/571184324.db2.gz OJMQCZITZOTSLT-MRXNPFEDSA-N 1 1 352.467 3.717 40 0 FHABMO Cc1nc(Nc2nccs2)cc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072360208 571184325 /nfs/dbraw/zinc/18/43/25/571184325.db2.gz OJMQCZITZOTSLT-MRXNPFEDSA-N 1 1 352.467 3.717 40 0 FHABMO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3cn(C)nc3C)n2)s1 ZINC000072375351 571185645 /nfs/dbraw/zinc/18/56/45/571185645.db2.gz UCPJNTIKLXRZAB-KRWDZBQOSA-N 1 1 368.510 3.969 40 0 FHABMO O=C(NC1CCCC1)c1cc([C@H]2CCCC[N@H+]2CCc2ccccc2)n[nH]1 ZINC000072380536 571188073 /nfs/dbraw/zinc/18/80/73/571188073.db2.gz QZXBZTLECWIKNS-OAQYLSRUSA-N 1 1 366.509 3.852 40 0 FHABMO Fc1cccc(C[N@H+]2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)c1F ZINC000072389965 571189306 /nfs/dbraw/zinc/18/93/06/571189306.db2.gz GONSLVPZOVYTCP-HNNXBMFYSA-N 1 1 356.376 3.789 40 0 FHABMO COc1cccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389956 571189327 /nfs/dbraw/zinc/18/93/27/571189327.db2.gz OHTQHNFWZFRLIA-QGZVFWFLSA-N 1 1 350.422 3.520 40 0 FHABMO Fc1cccc(C[N@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1F ZINC000072389998 571189660 /nfs/dbraw/zinc/18/96/60/571189660.db2.gz ARSJRGNFGPCZRP-OAHLLOKOSA-N 1 1 356.376 3.789 40 0 FHABMO CC[NH+]1CCC2(CC1)CN(Cc1cccnc1)Cc1cc(C)ccc1O2 ZINC000072394194 571190350 /nfs/dbraw/zinc/19/03/50/571190350.db2.gz NQGAPSBZUNOEGD-UHFFFAOYSA-N 1 1 351.494 3.639 40 0 FHABMO COc1ccc(C[N@@H+]2C[C@@H](c3cn(C)c4ccccc34)[C@H](N(C)C)C2)cc1 ZINC000072395136 571190362 /nfs/dbraw/zinc/19/03/62/571190362.db2.gz LKHNOGWQCOQSNG-JTHBVZDNSA-N 1 1 363.505 3.717 40 0 FHABMO COc1ccc(CN2C[C@@H](c3cn(C)c4ccccc34)[C@H]([NH+](C)C)C2)cc1 ZINC000072395136 571190365 /nfs/dbraw/zinc/19/03/65/571190365.db2.gz LKHNOGWQCOQSNG-JTHBVZDNSA-N 1 1 363.505 3.717 40 0 FHABMO COc1ccccc1C[N@H+]1C[C@@H](c2cn(C)c3ccccc23)[C@H](N(C)C)C1 ZINC000072395134 571190370 /nfs/dbraw/zinc/19/03/70/571190370.db2.gz CXQQECCQTKSQKN-RBBKRZOGSA-N 1 1 363.505 3.717 40 0 FHABMO COc1ccccc1C[N@@H+]1C[C@@H](c2cn(C)c3ccccc23)[C@H](N(C)C)C1 ZINC000072395134 571190372 /nfs/dbraw/zinc/19/03/72/571190372.db2.gz CXQQECCQTKSQKN-RBBKRZOGSA-N 1 1 363.505 3.717 40 0 FHABMO C[C@@H](Cc1ccccc1F)[N@H+]1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000072395784 571190798 /nfs/dbraw/zinc/19/07/98/571190798.db2.gz RAMNQILXCKTTEZ-KSFYIVLOSA-N 1 1 352.453 3.577 40 0 FHABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3cccnc3)CC2)N1Cc1ccc(F)cc1 ZINC000585100552 571221466 /nfs/dbraw/zinc/22/14/66/571221466.db2.gz NHKPEQDTSBTUED-JOCHJYFZSA-N 1 1 367.468 3.768 40 0 FHABMO CCn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)cn1 ZINC000585100678 571221475 /nfs/dbraw/zinc/22/14/75/571221475.db2.gz SMLMDBYWRHUNIP-JOCHJYFZSA-N 1 1 372.557 3.830 40 0 FHABMO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H](C)C4)C3)CC2)cc1 ZINC000585104808 571224120 /nfs/dbraw/zinc/22/41/20/571224120.db2.gz SXELTGKCEFUTEE-PZJWPPBQSA-N 1 1 370.537 3.738 40 0 FHABMO Cc1nn([C@H](C)CC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c(C)c1Cl ZINC000248150820 571291187 /nfs/dbraw/zinc/29/11/87/571291187.db2.gz UCWFHORWHZZXIU-KDOFPFPSSA-N 1 1 374.916 3.620 40 0 FHABMO Cc1nn([C@H](C)CC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1Cl ZINC000248150820 571291189 /nfs/dbraw/zinc/29/11/89/571291189.db2.gz UCWFHORWHZZXIU-KDOFPFPSSA-N 1 1 374.916 3.620 40 0 FHABMO COc1cc2c(cc1OC)[C@@H](C)[N@H+]([C@H]1CCCN(C(=O)CC(C)C)C1)CC2 ZINC000248235248 571291236 /nfs/dbraw/zinc/29/12/36/571291236.db2.gz BXLVLBPVMABBGJ-AEFFLSMTSA-N 1 1 374.525 3.660 40 0 FHABMO CC(C)c1ncc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)cn1 ZINC000248197425 571291279 /nfs/dbraw/zinc/29/12/79/571291279.db2.gz RENMGUPXFFASRP-RBDMOPTHSA-N 1 1 369.484 3.859 40 0 FHABMO COc1ccc([C@H]([NH3+])c2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)cc1OC ZINC000095533883 571331455 /nfs/dbraw/zinc/33/14/55/571331455.db2.gz INYNGQWQOSXUFT-SFHVURJKSA-N 1 1 366.465 3.835 40 0 FHABMO C[N@H+]1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2C(=O)c1cnccn1 ZINC000257339374 529831644 /nfs/dbraw/zinc/83/16/44/529831644.db2.gz ZBLFXNFWNIJUHG-ONTIZHBOSA-N 1 1 364.493 3.697 40 0 FHABMO C[N@@H+](C[C@@H]1CC=CCC1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000257307137 529944997 /nfs/dbraw/zinc/94/49/97/529944997.db2.gz SXIOYFKOWDAKET-PDDLGQBUSA-N 1 1 354.494 3.778 40 0 FHABMO CCOc1cc(-c2[nH+]c3ccccn3c2NC[C@H]2CCCO2)ccc1O ZINC000000883907 219336832 /nfs/dbraw/zinc/33/68/32/219336832.db2.gz ZSHGMEGYMWGPKO-OAHLLOKOSA-N 1 1 353.422 3.697 40 0 FHABMO Cc1ncsc1C[N@@H+]1CCCC[C@@H]1c1cc(-c2ncc[nH]2)nc(C)n1 ZINC000257238515 223033303 /nfs/dbraw/zinc/03/33/03/223033303.db2.gz HLJJBBJQRPIITM-MRXNPFEDSA-N 1 1 354.483 3.667 40 0 FHABMO Cc1ncsc1C[N@H+]1CCCC[C@@H]1c1cc(-c2ncc[nH]2)nc(C)n1 ZINC000257238515 223033305 /nfs/dbraw/zinc/03/33/05/223033305.db2.gz HLJJBBJQRPIITM-MRXNPFEDSA-N 1 1 354.483 3.667 40 0 FHABMO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@@H+](Cc3ccnc(C)n3)C2)n1 ZINC000257278588 223048252 /nfs/dbraw/zinc/04/82/52/223048252.db2.gz OCVPMCPJOCUNFN-QGZVFWFLSA-N 1 1 363.465 3.516 40 0 FHABMO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3F)[N@H+]2Cc2cccnc2)N1 ZINC000257279264 223048736 /nfs/dbraw/zinc/04/87/36/223048736.db2.gz OFVIXBIANILPBT-AABGKKOBSA-N 1 1 353.441 3.595 40 0 FHABMO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3F)[N@@H+]2Cc2cccnc2)N1 ZINC000257279264 223048738 /nfs/dbraw/zinc/04/87/38/223048738.db2.gz OFVIXBIANILPBT-AABGKKOBSA-N 1 1 353.441 3.595 40 0 FHABMO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@@H+](CC3CCOCC3)C2)s1 ZINC000257300644 223056874 /nfs/dbraw/zinc/05/68/74/223056874.db2.gz RVEFQWBZYQMELU-INIZCTEOSA-N 1 1 373.526 3.591 40 0 FHABMO C[NH+](C)Cc1cn(-c2ccccc2C(=O)NCc2ccccc2Cl)cn1 ZINC000257316711 223062881 /nfs/dbraw/zinc/06/28/81/223062881.db2.gz VGRCMLKOAXDWEZ-UHFFFAOYSA-N 1 1 368.868 3.517 40 0 FHABMO c1cc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cs1 ZINC000306131199 223108062 /nfs/dbraw/zinc/10/80/62/223108062.db2.gz JYMUFVAGKOTXGC-KRWDZBQOSA-N 1 1 367.522 3.771 40 0 FHABMO O=C1NC2(CC[NH+](Cc3ccco3)CC2)c2nc(-c3ccccc3)sc21 ZINC000306132790 223110575 /nfs/dbraw/zinc/11/05/75/223110575.db2.gz LSDMZMZJMIZZNA-UHFFFAOYSA-N 1 1 365.458 3.638 40 0 FHABMO COc1ccc(-c2n[nH]cc2C[N@H+](Cc2sccc2C)C[C@H](C)O)cc1 ZINC000012147047 219960417 /nfs/dbraw/zinc/96/04/17/219960417.db2.gz RZMPZJMLAGPTCD-HNNXBMFYSA-N 1 1 371.506 3.838 40 0 FHABMO CCOC(=O)/C=C1\C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C[C@@H]1CC ZINC000018127588 220225216 /nfs/dbraw/zinc/22/52/16/220225216.db2.gz XVPICYCPIBJEBT-XMDNHAFTSA-N 1 1 359.466 3.522 40 0 FHABMO COc1cccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3ccc(C)nc3)o2)c1 ZINC000019215098 220239660 /nfs/dbraw/zinc/23/96/60/220239660.db2.gz MWJOTQCAHAITGY-SFHVURJKSA-N 1 1 350.422 3.786 40 0 FHABMO COc1cccc(C[N@H+]2CCC[C@H]2c2nnc(-c3ccc(C)nc3)o2)c1 ZINC000019215098 220239662 /nfs/dbraw/zinc/23/96/62/220239662.db2.gz MWJOTQCAHAITGY-SFHVURJKSA-N 1 1 350.422 3.786 40 0 FHABMO Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@H](C)Cn2cc[nH+]c2C)n1 ZINC000019240115 220243587 /nfs/dbraw/zinc/24/35/87/220243587.db2.gz KPCSDJINZPLHGE-WBMJQRKESA-N 1 1 374.535 3.754 40 0 FHABMO Clc1ccccc1C[N@H+]1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1 ZINC000019349479 220253916 /nfs/dbraw/zinc/25/39/16/220253916.db2.gz JHSNKUSRGKJVMH-AEFFLSMTSA-N 1 1 365.868 3.613 40 0 FHABMO c1csc(-c2n[nH]cc2C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)c1 ZINC000019401391 220254509 /nfs/dbraw/zinc/25/45/09/220254509.db2.gz NIGFILADEZNRRE-KRWDZBQOSA-N 1 1 354.479 3.714 40 0 FHABMO c1csc(-c2n[nH]cc2C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)c1 ZINC000019401391 220254512 /nfs/dbraw/zinc/25/45/12/220254512.db2.gz NIGFILADEZNRRE-KRWDZBQOSA-N 1 1 354.479 3.714 40 0 FHABMO COc1cccc(C[N@@H+]2CCN(C(=O)Nc3ccc(F)cc3)[C@@H](C)C2)c1 ZINC000019575612 220275517 /nfs/dbraw/zinc/27/55/17/220275517.db2.gz KXMVUOWKWGKROX-HNNXBMFYSA-N 1 1 357.429 3.573 40 0 FHABMO COc1cccc(C[N@H+]2CCN(C(=O)Nc3ccc(F)cc3)[C@@H](C)C2)c1 ZINC000019575612 220275520 /nfs/dbraw/zinc/27/55/20/220275520.db2.gz KXMVUOWKWGKROX-HNNXBMFYSA-N 1 1 357.429 3.573 40 0 FHABMO C[N@@H+](CCOc1ccccc1)Cc1c2cccnc2[nH]c1[C@H]1CCCO1 ZINC000019586166 220277585 /nfs/dbraw/zinc/27/75/85/220277585.db2.gz BYLRTVUTQVZYNY-LJQANCHMSA-N 1 1 351.450 3.925 40 0 FHABMO CN1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](CCCc1ccccc1)C2 ZINC000019588986 220278333 /nfs/dbraw/zinc/27/83/33/220278333.db2.gz MZXITCUZGLDICB-NRFANRHFSA-N 1 1 350.510 3.624 40 0 FHABMO C[N@H+]1CCc2nc([C@H]3CCCCN3Cc3ccc(Cl)c(F)c3)ncc2C1 ZINC000019590327 220279015 /nfs/dbraw/zinc/27/90/15/220279015.db2.gz BOMQWZNWDMCQGK-LJQANCHMSA-N 1 1 374.891 3.984 40 0 FHABMO Cn1cc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c2ccccc2c1=O ZINC000019663652 220283557 /nfs/dbraw/zinc/28/35/57/220283557.db2.gz VBZFFXSDGNOBNZ-UHFFFAOYSA-N 1 1 374.444 3.965 40 0 FHABMO Fc1ccc(OCCc2cc([C@@H]3CCC[N@@H+]3Cc3ccncc3)[nH]n2)cc1 ZINC000019703669 220286370 /nfs/dbraw/zinc/28/63/70/220286370.db2.gz YXRFRZWUCQRZAG-NRFANRHFSA-N 1 1 366.440 3.902 40 0 FHABMO Fc1ccc(OCCc2cc([C@@H]3CCC[N@H+]3Cc3ccncc3)[nH]n2)cc1 ZINC000019703669 220286374 /nfs/dbraw/zinc/28/63/74/220286374.db2.gz YXRFRZWUCQRZAG-NRFANRHFSA-N 1 1 366.440 3.902 40 0 FHABMO c1csc([C@@H](c2nnnn2Cc2ccccc2)[NH+]2CCCCCC2)c1 ZINC000020098573 220312317 /nfs/dbraw/zinc/31/23/17/220312317.db2.gz BRCSNNGUGSOQSM-SFHVURJKSA-N 1 1 353.495 3.748 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000020111034 220313725 /nfs/dbraw/zinc/31/37/25/220313725.db2.gz PONHQZSPSUSOIG-UHFFFAOYSA-N 1 1 369.490 3.584 40 0 FHABMO COC(=O)c1cccc2nc([C@H]3CC[N@@H+](Cc4ccccc4F)C3)oc21 ZINC000035446939 220784473 /nfs/dbraw/zinc/78/44/73/220784473.db2.gz XRSQKMDSPJOWSS-AWEZNQCLSA-N 1 1 354.381 3.743 40 0 biogenic,in-vitro FHABMO Cc1cc(C[NH+]2CCC3(C[C@H](CN4CCC(F)(F)CC4)O3)CC2)oc1C ZINC000306137838 533595803 /nfs/dbraw/zinc/59/58/03/533595803.db2.gz RHTMYTCORCHNRM-GOSISDBHSA-N 1 1 368.468 3.751 40 0 FHABMO CC[C@@H](C)Nc1cc(N2CCc3cc(OC)c(OC)cc3C2)[nH+]c(C)n1 ZINC000244226060 132249899 /nfs/dbraw/zinc/24/98/99/132249899.db2.gz WCSANAXGNBGELP-CYBMUJFWSA-N 1 1 356.470 3.575 40 0 FHABMO C[C@@H](O)c1ccc2c(c1)CCN(c1cc[nH+]c(NC3CCCCC3)n1)C2 ZINC000329036050 132372826 /nfs/dbraw/zinc/37/28/26/132372826.db2.gz RHRYQLASKFASLD-OAHLLOKOSA-N 1 1 352.482 3.837 40 0 FHABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)s1 ZINC000096107277 222026462 /nfs/dbraw/zinc/02/64/62/222026462.db2.gz NGDDBTSICRPLHN-QUCCMNQESA-N 1 1 358.507 3.792 40 0 FHABMO F[C@@H]1C[N@H+](Cc2c[nH]c3ccccc23)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112177 222030197 /nfs/dbraw/zinc/03/01/97/222030197.db2.gz CLLYXYTWQJMFSF-UZLBHIALSA-N 1 1 364.424 3.783 40 0 biogenic,in-vitro FHABMO F[C@@H]1C[N@@H+](Cc2c[nH]c3ccccc23)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112177 222030201 /nfs/dbraw/zinc/03/02/01/222030201.db2.gz CLLYXYTWQJMFSF-UZLBHIALSA-N 1 1 364.424 3.783 40 0 biogenic,in-vitro FHABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)cc1 ZINC000096100310 222022119 /nfs/dbraw/zinc/02/21/19/222022119.db2.gz ADOMXWOMWOQKJY-HSZRJFAPSA-N 1 1 364.489 3.842 40 0 FHABMO CC(C)CN1c2ccccc2[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1=O ZINC000096100308 222022915 /nfs/dbraw/zinc/02/29/15/222022915.db2.gz DJIHMLHSAJCCLO-JOCHJYFZSA-N 1 1 352.453 3.972 40 0 FHABMO Cc1ccc(N2CC[C@]3(C2)C[N@@H+](Cc2cccs2)CCC3(F)F)nn1 ZINC000096239761 222095379 /nfs/dbraw/zinc/09/53/79/222095379.db2.gz KQGCVNPYZKDXMZ-QGZVFWFLSA-N 1 1 364.465 3.584 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000096244253 222098866 /nfs/dbraw/zinc/09/88/66/222098866.db2.gz TUZZMOQXBJRJCD-QHCPKHFHSA-N 1 1 372.472 3.521 40 0 FHABMO CCc1ccc(NC(=O)N2CCCn3cnc(C[N@H+](C)C(C)C)c3C2)cc1 ZINC000096259258 222103982 /nfs/dbraw/zinc/10/39/82/222103982.db2.gz RWBBEADLHXUXBM-UHFFFAOYSA-N 1 1 369.513 3.724 40 0 FHABMO CCc1ccc(NC(=O)N2CCCn3cnc(C[N@@H+](C)C(C)C)c3C2)cc1 ZINC000096259258 222103983 /nfs/dbraw/zinc/10/39/83/222103983.db2.gz RWBBEADLHXUXBM-UHFFFAOYSA-N 1 1 369.513 3.724 40 0 FHABMO c1csc(C[N@H+]2CCO[C@@]3(CCC[C@@H]3COCc3ccccn3)C2)c1 ZINC000096160032 222059565 /nfs/dbraw/zinc/05/95/65/222059565.db2.gz QHSRJAMPMPODCL-XLIONFOSSA-N 1 1 358.507 3.731 40 0 FHABMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4csc(C)n4)C3)C2)c1 ZINC000096215573 222079781 /nfs/dbraw/zinc/07/97/81/222079781.db2.gz ZDPYZLFPSVWZAX-NRFANRHFSA-N 1 1 371.550 3.948 40 0 FHABMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccsc3)CC2)N1Cc1cccnc1 ZINC000096218014 222081842 /nfs/dbraw/zinc/08/18/42/222081842.db2.gz FEGQYWCLZVGNFL-FQEVSTJZSA-N 1 1 355.507 3.690 40 0 FHABMO CC(C)[N@H+]1CCC[C@@H](c2cnc(N3CC4(CCCCC4)OC3=O)cn2)C1 ZINC000257208976 263463849 /nfs/dbraw/zinc/46/38/49/263463849.db2.gz BOIYIJKZKYKYIB-MRXNPFEDSA-N 1 1 358.486 3.724 40 0 FHABMO C[C@]12C[C@@H](c3ccccc3F)[N@@H+](Cc3ccccn3)[C@H]1CCCC(=O)N2 ZINC000257306977 534188830 /nfs/dbraw/zinc/18/88/30/534188830.db2.gz SWTRVWXDYYZUPD-ZJOUEHCJSA-N 1 1 353.441 3.595 40 0 FHABMO CC(C)c1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020481285 519847664 /nfs/dbraw/zinc/84/76/64/519847664.db2.gz HSHTXXKADRQABO-IBGZPJMESA-N 1 1 366.505 3.922 40 0 FHABMO Fc1ccc(F)c(C[N@H+]2CCC[C@@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)c1 ZINC000257248692 534478977 /nfs/dbraw/zinc/47/89/77/534478977.db2.gz JEUDUOPIRWVVAP-AWEZNQCLSA-N 1 1 369.419 3.600 40 0 FHABMO Fc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4cccs4)C2)OC3)c1 ZINC000306139124 534514378 /nfs/dbraw/zinc/51/43/78/534514378.db2.gz SPYAVASMRHWPFA-HXUWFJFHSA-N 1 1 369.465 3.926 40 0 FHABMO CC[NH+]1CCN(C(=O)c2ccc(OCCSc3ccccc3)cc2)CC1 ZINC000019931755 521669474 /nfs/dbraw/zinc/66/94/74/521669474.db2.gz SKMDCOZWLZMARA-UHFFFAOYSA-N 1 1 370.518 3.635 40 0 FHABMO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@H+](C3CCC3)C[C@@H]21 ZINC000306143945 534877385 /nfs/dbraw/zinc/87/73/85/534877385.db2.gz YRKUXILSNJBNQT-QUCCMNQESA-N 1 1 357.450 3.600 40 0 FHABMO CC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1ccc(C(C)(C)C)cc1)CCO2 ZINC000306127116 526894547 /nfs/dbraw/zinc/89/45/47/526894547.db2.gz FORUAOFMHHWLNJ-UNMCSNQZSA-N 1 1 358.526 3.634 40 0 FHABMO CC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1ccc(C(C)(C)C)cc1)CCO2 ZINC000306127116 526894552 /nfs/dbraw/zinc/89/45/52/526894552.db2.gz FORUAOFMHHWLNJ-UNMCSNQZSA-N 1 1 358.526 3.634 40 0 FHABMO CC[C@@H](C)Nc1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329016453 535567134 /nfs/dbraw/zinc/56/71/34/535567134.db2.gz NGQVFXGCRSBZJB-HUUCEWRRSA-N 1 1 366.509 3.602 40 0 FHABMO COc1cc2cccnc2c(NC[C@H](O)C[N@@H+](CC(C)C)C2CCCC2)c1 ZINC000001656127 570503606 /nfs/dbraw/zinc/50/36/06/570503606.db2.gz OIDQIVBIYSEUSN-IBGZPJMESA-N 1 1 371.525 3.917 40 0 FHABMO [NH3+][C@@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072227310 570535887 /nfs/dbraw/zinc/53/58/87/570535887.db2.gz UEDMXCGMYMFLHW-UONOGXRCSA-N 1 1 351.631 3.518 40 0 FHABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216463 570533532 /nfs/dbraw/zinc/53/35/32/570533532.db2.gz BSINKZDALCPDHC-GOSISDBHSA-N 1 1 374.529 3.686 40 0 FHABMO Cc1nc(N2CCOCC2)ccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072219652 570534839 /nfs/dbraw/zinc/53/48/39/570534839.db2.gz GYTSBRYFHDEDEP-OAQYLSRUSA-N 1 1 351.494 3.954 40 0 FHABMO Cc1cc(N2CCc3ccccc3C2)[nH+]cc1CNC(=O)OC(C)(C)C ZINC000072223886 570535236 /nfs/dbraw/zinc/53/52/36/570535236.db2.gz WCMGHPHFLNPBSO-UHFFFAOYSA-N 1 1 353.466 3.977 40 0 FHABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072228103 570535685 /nfs/dbraw/zinc/53/56/85/570535685.db2.gz WJNXHCXHECUVQI-HOTGVXAUSA-N 1 1 350.340 3.519 40 0 FHABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072228102 570535898 /nfs/dbraw/zinc/53/58/98/570535898.db2.gz WJNXHCXHECUVQI-JKSUJKDBSA-N 1 1 350.340 3.519 40 0 FHABMO CC[NH+]1CCN(C(=S)c2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000408577866 570562005 /nfs/dbraw/zinc/56/20/05/570562005.db2.gz VBLLTUYBOUIFNA-UHFFFAOYSA-N 1 1 358.482 3.718 40 0 FHABMO CC[C@H](Oc1ccc(F)cc1)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000260492660 570630598 /nfs/dbraw/zinc/63/05/98/570630598.db2.gz DVQKKJLAHZBQCH-MJGOQNOKSA-N 1 1 350.478 3.754 40 0 FHABMO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](CC(=O)N1CCc3[nH]c4ccccc4c3C1)C2 ZINC000002139602 570654172 /nfs/dbraw/zinc/65/41/72/570654172.db2.gz PEVHSLDAYIFANO-HJPURHCSSA-N 1 1 365.521 3.953 40 0 FHABMO COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1cccc(Cl)c1 ZINC000008373859 570680874 /nfs/dbraw/zinc/68/08/74/570680874.db2.gz HTALIHBPXWTAMG-UHFFFAOYSA-N 1 1 362.901 3.969 40 0 FHABMO COc1cc(C[NH2+]CCCN(C)C)ccc1OCc1cccc(Cl)c1 ZINC000008373859 570680877 /nfs/dbraw/zinc/68/08/77/570680877.db2.gz HTALIHBPXWTAMG-UHFFFAOYSA-N 1 1 362.901 3.969 40 0 FHABMO Cc1nc([C@@H](Cc2ccsc2)NC(=O)CCn2cc[nH+]c2C)sc1C ZINC000012087900 570717689 /nfs/dbraw/zinc/71/76/89/570717689.db2.gz QSJUVXWFVLNSEU-MRXNPFEDSA-N 1 1 374.535 3.817 40 0 FHABMO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000012089299 570718093 /nfs/dbraw/zinc/71/80/93/570718093.db2.gz LYZBRTARHFJLID-GOSISDBHSA-N 1 1 359.429 3.980 40 0 FHABMO COc1ccc(C[N@H+](C)Cc2cc(C)n[nH]2)cc1Cc1c(C)noc1C ZINC000012147126 570722663 /nfs/dbraw/zinc/72/26/63/570722663.db2.gz XOAHDXBNVZINDU-UHFFFAOYSA-N 1 1 354.454 3.554 40 0 FHABMO COc1ccc(C[N@@H+](C)Cc2cc(C)n[nH]2)cc1Cc1c(C)noc1C ZINC000012147126 570722667 /nfs/dbraw/zinc/72/26/67/570722667.db2.gz XOAHDXBNVZINDU-UHFFFAOYSA-N 1 1 354.454 3.554 40 0 FHABMO COc1ccc(C[N@H+](Cc2cn(C)c3ccccc23)C[C@H](C)O)cc1OC ZINC000012147959 570723009 /nfs/dbraw/zinc/72/30/09/570723009.db2.gz OHPIADQBLHDXHG-INIZCTEOSA-N 1 1 368.477 3.579 40 0 FHABMO CC(C)c1ccc(OCCOC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000040373358 570842343 /nfs/dbraw/zinc/84/23/43/570842343.db2.gz UQJGAVXCIYEZHU-QFIPXVFZSA-N 1 1 369.505 3.625 40 0 FHABMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(=O)c2cc(Br)ccc2Cl)C1 ZINC000225073983 571013698 /nfs/dbraw/zinc/01/36/98/571013698.db2.gz MXLBEOPANJWELN-TXEJJXNPSA-N 1 1 373.722 3.810 40 0 FHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(OC)cc1OC ZINC000225581056 571047029 /nfs/dbraw/zinc/04/70/29/571047029.db2.gz HOZSYFKUMMUUPV-OAHLLOKOSA-N 1 1 365.543 3.645 40 0 FHABMO CC[C@@]12CCC[N@H+]3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4CC1)[C@H]32 ZINC000034173099 571067786 /nfs/dbraw/zinc/06/77/86/571067786.db2.gz ARQOGCYMPUOVHK-BDKRGJGYSA-N 1 1 354.494 3.726 40 0 FHABMO COc1ccc(F)cc1[C@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000036743862 571081481 /nfs/dbraw/zinc/08/14/81/571081481.db2.gz FFQFCTWXWGLSBF-IFXJQAMLSA-N 1 1 369.440 3.624 40 0 FHABMO CC(C)(C)SCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038852206 571088274 /nfs/dbraw/zinc/08/82/74/571088274.db2.gz ZCXMVFWGUKHAKZ-INIZCTEOSA-N 1 1 352.519 3.686 40 0 FHABMO CCOCCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038856820 571088431 /nfs/dbraw/zinc/08/84/31/571088431.db2.gz FYFPKQMFMVXYKB-CQSZACIVSA-N 1 1 373.324 3.748 40 0 FHABMO CCOCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038856820 571088432 /nfs/dbraw/zinc/08/84/32/571088432.db2.gz FYFPKQMFMVXYKB-CQSZACIVSA-N 1 1 373.324 3.748 40 0 FHABMO Cc1ccc(OCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044908876 571104410 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NC(=O)c1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348934 571180526 /nfs/dbraw/zinc/18/05/26/571180526.db2.gz PXOOERRVDHRICJ-LJQANCHMSA-N 1 1 372.472 3.622 40 0 FHABMO Cn1cc(C[N@H+]2CCC[C@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 ZINC000072349974 571181375 /nfs/dbraw/zinc/18/13/75/571181375.db2.gz WDMHBJWIQHYPOF-IBGZPJMESA-N 1 1 364.468 3.925 40 0 FHABMO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2Cc2cccnc2)nc(C)n1 ZINC000072360204 571184399 /nfs/dbraw/zinc/18/43/99/571184399.db2.gz PTLDHGBYUMETPO-LJQANCHMSA-N 1 1 360.465 3.964 40 0 FHABMO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2Cc2cccnc2)nc(C)n1 ZINC000072360204 571184402 /nfs/dbraw/zinc/18/44/02/571184402.db2.gz PTLDHGBYUMETPO-LJQANCHMSA-N 1 1 360.465 3.964 40 0 FHABMO Cn1nccc1C[NH+]1CCC(c2nccnc2Oc2ccccc2F)CC1 ZINC000072362830 571184818 /nfs/dbraw/zinc/18/48/18/571184818.db2.gz SKUUTSWBSNICRY-UHFFFAOYSA-N 1 1 367.428 3.521 40 0 FHABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000072378959 571187289 /nfs/dbraw/zinc/18/72/89/571187289.db2.gz TYFWIKJJHWGIJD-HXUWFJFHSA-N 1 1 374.488 3.915 40 0 FHABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cccc(-n4ccnc4C)n3)C2)cc1 ZINC000072379119 571187687 /nfs/dbraw/zinc/18/76/87/571187687.db2.gz ZQCWNXUUQIQYMY-LJQANCHMSA-N 1 1 362.477 3.964 40 0 FHABMO COc1ccc2c(c1)c(C[N@H+]1CCC[C@H](Cn3ccnc3C)C1)c(C)n2C ZINC000072392146 571189951 /nfs/dbraw/zinc/18/99/51/571189951.db2.gz VMSARXXENCBJRJ-SFHVURJKSA-N 1 1 366.509 3.912 40 0 FHABMO Cc1nn(C)c(C)c1CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000072390420 571189981 /nfs/dbraw/zinc/18/99/81/571189981.db2.gz WUTXIZZJCLRCEZ-KKSFZXQISA-N 1 1 368.525 3.611 40 0 FHABMO COc1ccccc1OCC[N@@H+](C)Cc1c2cccnc2[nH]c1C1CC1 ZINC000072393728 571190275 /nfs/dbraw/zinc/19/02/75/571190275.db2.gz QEXNVGCULKNXOR-UHFFFAOYSA-N 1 1 351.450 3.960 40 0 FHABMO Cc1ccc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)s1 ZINC000072393098 571190301 /nfs/dbraw/zinc/19/03/01/571190301.db2.gz WEROTYDXHSECIQ-INIZCTEOSA-N 1 1 366.490 3.581 40 0 FHABMO COCc1ccc(C[N@H+]2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)o1 ZINC000072396702 571190635 /nfs/dbraw/zinc/19/06/35/571190635.db2.gz ZAQLWJDCGYHEKV-CYBMUJFWSA-N 1 1 374.466 3.621 40 0 FHABMO C[N@H+]1CCC[C@@]12CCCN(C(=O)CCCc1c[nH]c3ccccc13)CC2 ZINC000585100238 571221360 /nfs/dbraw/zinc/22/13/60/571221360.db2.gz IQRQUMRASFGCCS-QFIPXVFZSA-N 1 1 353.510 3.968 40 0 FHABMO O=C(c1ccc2ccccc2c1)N1CCC[C@]2(CC[N@H+]2C[C@H]2CCCO2)C1 ZINC000585101759 571222234 /nfs/dbraw/zinc/22/22/34/571222234.db2.gz DWYRCNGAGPJNNT-GGAORHGYSA-N 1 1 364.489 3.699 40 0 FHABMO Clc1ccc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)cc1 ZINC000585104454 571223967 /nfs/dbraw/zinc/22/39/67/571223967.db2.gz ITZFTKMRPWXUSY-SFHVURJKSA-N 1 1 367.942 3.843 40 0 FHABMO c1c[nH]c(-c2cncc(C[C@@H]3CCC[N@@H+](Cc4c[nH]c5ccccc45)C3)n2)n1 ZINC000585182446 571238095 /nfs/dbraw/zinc/23/80/95/571238095.db2.gz WARWJRDEWUNOFR-INIZCTEOSA-N 1 1 372.476 3.803 40 0 FHABMO O[C@@H]1CC[N@@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)[C@@H]2CCCC[C@H]12 ZINC000248006910 571290999 /nfs/dbraw/zinc/29/09/99/571290999.db2.gz UHNBMDICIJZVPS-AITUJVMLSA-N 1 1 355.482 3.540 40 0 FHABMO CCCc1ncc(C[N@H+]2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@H]3C2)cn1 ZINC000248148461 571291210 /nfs/dbraw/zinc/29/12/10/571291210.db2.gz AOMHEQYOLXBIKC-XJABCFGWSA-N 1 1 369.484 3.688 40 0 FHABMO Cc1cc2nc([C@@H]3CCC[N@H+](CC[C@@H](C)c4ccc(C)o4)C3)cc(N)n2n1 ZINC000019216284 571303844 /nfs/dbraw/zinc/30/38/44/571303844.db2.gz YBOGQKCZIQEJOG-RHSMWYFYSA-N 1 1 367.497 3.895 40 0 FHABMO CC(C)(C)C[N@H+]1CC[C@H](c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1 ZINC000019704999 571304580 /nfs/dbraw/zinc/30/45/80/571304580.db2.gz AFYDLGBCJAQTIG-HNNXBMFYSA-N 1 1 364.497 3.800 40 0 FHABMO CC(C)(C)C[N@@H+]1CC[C@H](c2ccc3c(n[nH]c3NCc3ccccn3)n2)C1 ZINC000019704999 571304581 /nfs/dbraw/zinc/30/45/81/571304581.db2.gz AFYDLGBCJAQTIG-HNNXBMFYSA-N 1 1 364.497 3.800 40 0 FHABMO CC(C)(C)C[N@H+]1CC[C@H](c2ccc3c(n[nH]c3NCc3ccccn3)n2)C1 ZINC000019704999 571304583 /nfs/dbraw/zinc/30/45/83/571304583.db2.gz AFYDLGBCJAQTIG-HNNXBMFYSA-N 1 1 364.497 3.800 40 0 FHABMO COC(=O)c1cc(C[NH2+][C@@H](C)c2nc(-c3ccccc3)c[nH]2)ccc1OC ZINC000116378591 571321995 /nfs/dbraw/zinc/32/19/95/571321995.db2.gz YYKCFFFHGRUDFT-AWEZNQCLSA-N 1 1 365.433 3.723 40 0 FHABMO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(C)c3)[nH]2)cc1OCC ZINC000095534601 571331377 /nfs/dbraw/zinc/33/13/77/571331377.db2.gz XOLAWBRYHFIUOD-GOSISDBHSA-N 1 1 352.438 3.626 40 0 FHABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(-c3ccc(F)cc3)no1)C2 ZINC000257209510 529832097 /nfs/dbraw/zinc/83/20/97/529832097.db2.gz BQSGWVZFAXWVCZ-RMYQPGKMSA-N 1 1 369.440 3.568 40 0 FHABMO Cc1ccc([C@H](c2nnnn2Cc2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000001330593 219396148 /nfs/dbraw/zinc/39/61/48/219396148.db2.gz VNONSUKWQUTRDV-OAQYLSRUSA-N 1 1 361.493 3.851 40 0 FHABMO Cc1ccc(Nc2nc([C@H]3CCC[N@H+](Cc4cnn(C)c4)C3)cs2)nc1 ZINC000257199742 223015725 /nfs/dbraw/zinc/01/57/25/223015725.db2.gz AARCMZVFQIIOCD-INIZCTEOSA-N 1 1 368.510 3.703 40 0 FHABMO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+](Cc3cncn3C)C2)ccn1 ZINC000257217436 223024224 /nfs/dbraw/zinc/02/42/24/223024224.db2.gz CYXLNWKSXJWMLP-SFHVURJKSA-N 1 1 362.481 3.642 40 0 FHABMO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000257247235 223036271 /nfs/dbraw/zinc/03/62/71/223036271.db2.gz IYCIGUUECRUHIN-INIZCTEOSA-N 1 1 351.429 3.694 40 0 FHABMO Cc1cccc(C[N@@H+]2[C@H](c3ccc(F)cc3)C[C@H]3NC(=O)CCCC[C@@H]32)n1 ZINC000257277715 223047925 /nfs/dbraw/zinc/04/79/25/223047925.db2.gz NZCNNRYNKGVTDS-HKBOAZHASA-N 1 1 367.468 3.904 40 0 FHABMO Cc1ncsc1C[N@@H+]1CCN(C)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257316682 223063138 /nfs/dbraw/zinc/06/31/38/223063138.db2.gz VGNYXBRLOJJHIJ-KRWDZBQOSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1ncsc1CN1CC[N@@H+](C)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257316682 223063142 /nfs/dbraw/zinc/06/31/42/223063142.db2.gz VGNYXBRLOJJHIJ-KRWDZBQOSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1ncsc1CN1CC[N@H+](C)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257316682 223063143 /nfs/dbraw/zinc/06/31/43/223063143.db2.gz VGNYXBRLOJJHIJ-KRWDZBQOSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1cccc(C)c1OCC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@H+]2C ZINC000257317792 223064615 /nfs/dbraw/zinc/06/46/15/223064615.db2.gz VLELRNRMQACIMH-VWNVYAMZSA-N 1 1 356.510 3.546 40 0 FHABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019081987 220235251 /nfs/dbraw/zinc/23/52/51/220235251.db2.gz WTBFKTLBPMKSLY-ICSRJNTNSA-N 1 1 366.509 3.592 40 0 FHABMO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3[C@@H]3CCSC3)cc2n1 ZINC000019116825 220235772 /nfs/dbraw/zinc/23/57/72/220235772.db2.gz YSBXKGHIUSIMLB-YPMHNXCESA-N 1 1 356.417 3.699 40 0 FHABMO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3[C@@H]3CCSC3)cc2n1 ZINC000019116825 220235777 /nfs/dbraw/zinc/23/57/77/220235777.db2.gz YSBXKGHIUSIMLB-YPMHNXCESA-N 1 1 356.417 3.699 40 0 FHABMO Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@@H](C)Cn2cc[nH+]c2C)n1 ZINC000019240116 220243582 /nfs/dbraw/zinc/24/35/82/220243582.db2.gz KPCSDJINZPLHGE-BLLLJJGKSA-N 1 1 374.535 3.754 40 0 FHABMO COc1c(C)cccc1C[N@@H+]1CCc2nc([C@@H]3CCCCN3C)ncc2C1 ZINC000019235999 220243741 /nfs/dbraw/zinc/24/37/41/220243741.db2.gz NWHOCCVNLVZFHN-FQEVSTJZSA-N 1 1 366.509 3.509 40 0 FHABMO COc1c(C)cccc1C[N@H+]1CCc2nc([C@@H]3CCCCN3C)ncc2C1 ZINC000019235999 220243742 /nfs/dbraw/zinc/24/37/42/220243742.db2.gz NWHOCCVNLVZFHN-FQEVSTJZSA-N 1 1 366.509 3.509 40 0 FHABMO Cc1nc2c(c(N(C)Cc3ccccc3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000019286150 220246913 /nfs/dbraw/zinc/24/69/13/220246913.db2.gz ASSFRVYYBZLKPA-UHFFFAOYSA-N 1 1 358.489 3.980 40 0 FHABMO Cc1nc2c(c(N(C)Cc3ccccc3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000019286150 220246917 /nfs/dbraw/zinc/24/69/17/220246917.db2.gz ASSFRVYYBZLKPA-UHFFFAOYSA-N 1 1 358.489 3.980 40 0 FHABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000019287754 220247205 /nfs/dbraw/zinc/24/72/05/220247205.db2.gz CMZANBKOEOYXAK-FOIQADDNSA-N 1 1 371.481 3.502 40 0 FHABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000019287755 220247238 /nfs/dbraw/zinc/24/72/38/220247238.db2.gz CMZANBKOEOYXAK-QRWLVFNGSA-N 1 1 371.481 3.502 40 0 FHABMO CC(C)CC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019446672 220257440 /nfs/dbraw/zinc/25/74/40/220257440.db2.gz KMJNYABWAOREAR-UGKGYDQZSA-N 1 1 366.509 3.592 40 0 FHABMO CCN(CC)c1nc(-c2cccnc2)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000019526483 220268327 /nfs/dbraw/zinc/26/83/27/220268327.db2.gz RQTIWBUBYVJMAW-UHFFFAOYSA-N 1 1 373.504 3.943 40 0 FHABMO CCN(CC)c1nc(-c2cccnc2)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000019526483 220268332 /nfs/dbraw/zinc/26/83/32/220268332.db2.gz RQTIWBUBYVJMAW-UHFFFAOYSA-N 1 1 373.504 3.943 40 0 FHABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2ncccc23)cc1Cn1cccn1 ZINC000019559433 220270728 /nfs/dbraw/zinc/27/07/28/220270728.db2.gz NTCMAOWXTSQAFB-GHTZIAJQSA-N 1 1 360.461 3.597 40 0 FHABMO Cc1nc(C)c(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@@H+]3C)s1 ZINC000019560166 220270906 /nfs/dbraw/zinc/27/09/06/220270906.db2.gz IEEPRFBIMVGKHL-KZNAEPCWSA-N 1 1 373.497 3.601 40 0 FHABMO COc1ccccc1C1([NH2+]Cc2ccnc(N3CCCC3)n2)CCCC1 ZINC000019569189 220273747 /nfs/dbraw/zinc/27/37/47/220273747.db2.gz SEJOZPMYYRPJQA-UHFFFAOYSA-N 1 1 352.482 3.645 40 0 FHABMO COc1cccc(C[N@H+]2CCC[C@H](c3nnc(-c4scnc4C)o3)C2)c1 ZINC000019562804 220273965 /nfs/dbraw/zinc/27/39/65/220273965.db2.gz BJPZIVURNQPEEZ-HNNXBMFYSA-N 1 1 370.478 3.890 40 0 FHABMO COCc1ccc(OC)c(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C4CC4)ncc23)c1 ZINC000019594326 220279028 /nfs/dbraw/zinc/27/90/28/220279028.db2.gz CWSWESUELHYXBG-FXAWDEMLSA-N 1 1 365.477 3.771 40 0 FHABMO COCc1ccc(OC)c(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C4CC4)ncc23)c1 ZINC000019594326 220279032 /nfs/dbraw/zinc/27/90/32/220279032.db2.gz CWSWESUELHYXBG-FXAWDEMLSA-N 1 1 365.477 3.771 40 0 FHABMO Cn1nccc1C[N@@H+]1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000019688412 220285721 /nfs/dbraw/zinc/28/57/21/220285721.db2.gz GCMVMUUPGQCPJX-NRFANRHFSA-N 1 1 350.441 3.882 40 0 FHABMO Cn1nccc1C[N@H+]1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000019688412 220285726 /nfs/dbraw/zinc/28/57/26/220285726.db2.gz GCMVMUUPGQCPJX-NRFANRHFSA-N 1 1 350.441 3.882 40 0 FHABMO C[NH+](C)[C@H](C(=O)NCc1ccccc1N1CCCC1)c1ccc(Cl)cc1 ZINC000019716703 220290628 /nfs/dbraw/zinc/29/06/28/220290628.db2.gz ZYODGASMWWJPKH-FQEVSTJZSA-N 1 1 371.912 3.859 40 0 FHABMO CCN(CC)CC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000022075329 220376976 /nfs/dbraw/zinc/37/69/76/220376976.db2.gz JWBMISULFYGHIV-UHFFFAOYSA-N 1 1 360.473 3.845 40 0 FHABMO Cc1nc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)co1 ZINC000022538326 220389861 /nfs/dbraw/zinc/38/98/61/220389861.db2.gz HHEYEJJTHVWACA-UHFFFAOYSA-N 1 1 361.445 3.530 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)cc1 ZINC000049170512 221019991 /nfs/dbraw/zinc/01/99/91/221019991.db2.gz SAXXDPPLEAONND-HNNXBMFYSA-N 1 1 353.397 3.874 40 0 biogenic,in-vitro FHABMO Cc1cc(C[NH+]2CCC3(C[C@@H](CN4CCC(F)(F)CC4)O3)CC2)oc1C ZINC000306137839 533596454 /nfs/dbraw/zinc/59/64/54/533596454.db2.gz RHTMYTCORCHNRM-SFHVURJKSA-N 1 1 368.468 3.751 40 0 FHABMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCOc2ccccc21 ZINC000225904340 132287485 /nfs/dbraw/zinc/28/74/85/132287485.db2.gz UHQHGPGPYCWLBH-KRWDZBQOSA-N 1 1 370.880 3.978 40 0 FHABMO CC(C)c1nc(N[C@H](C)CO)cc(N2CCc3cc(Cl)ccc3C2)[nH+]1 ZINC000329010144 132372283 /nfs/dbraw/zinc/37/22/83/132372283.db2.gz LZOXPVCNQFJFAO-CYBMUJFWSA-N 1 1 360.889 3.609 40 0 FHABMO CC(C)c1nc(NC2CC2)cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]1 ZINC000329019281 132372493 /nfs/dbraw/zinc/37/24/93/132372493.db2.gz NVWWBXFMCRWKIS-AWEZNQCLSA-N 1 1 352.482 3.790 40 0 FHABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CC3)nc(C(C)C)[nH+]1)C2 ZINC000329047105 132373125 /nfs/dbraw/zinc/37/31/25/132373125.db2.gz UEUGUTYPQRKDMV-UHFFFAOYSA-N 1 1 366.465 3.524 40 0 FHABMO c1c(-c2ccccc2)c2c(nc[nH+]c2N2CCOCC2)n1-c1ccccc1 ZINC000001447538 132382013 /nfs/dbraw/zinc/38/20/13/132382013.db2.gz FEPQUNICZMPNCH-UHFFFAOYSA-N 1 1 356.429 3.924 40 0 FHABMO Cc1nc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(C)n2)C3)cs1 ZINC000096071604 222012710 /nfs/dbraw/zinc/01/27/10/222012710.db2.gz ACZLNFRDGIGIFB-FQEVSTJZSA-N 1 1 356.539 3.643 40 0 FHABMO Cc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2=O)c1 ZINC000096077347 222014024 /nfs/dbraw/zinc/01/40/24/222014024.db2.gz SNGOTXBYCFKBPD-JOCHJYFZSA-N 1 1 352.453 3.759 40 0 FHABMO CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1=O ZINC000096100309 222023013 /nfs/dbraw/zinc/02/30/13/222023013.db2.gz DJIHMLHSAJCCLO-QFIPXVFZSA-N 1 1 352.453 3.972 40 0 FHABMO Cc1cccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)n1 ZINC000096239610 222095115 /nfs/dbraw/zinc/09/51/15/222095115.db2.gz FATVPHHEOZMEKI-LJQANCHMSA-N 1 1 358.436 3.523 40 0 FHABMO Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](Cc2cccs2)CCC3(F)F)nn1 ZINC000096239760 222095208 /nfs/dbraw/zinc/09/52/08/222095208.db2.gz KQGCVNPYZKDXMZ-KRWDZBQOSA-N 1 1 364.465 3.584 40 0 FHABMO Cc1cccc(CO[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccsc2)C3)n1 ZINC000096208529 222078664 /nfs/dbraw/zinc/07/86/64/222078664.db2.gz PGMUGGAVPSULSV-PMACEKPBSA-N 1 1 358.507 3.792 40 0 FHABMO Cc1ccccc1C[N@H+]1CC[C@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000107248550 222392729 /nfs/dbraw/zinc/39/27/29/222392729.db2.gz PKVOCIQBDCMKIS-QHCPKHFHSA-N 1 1 372.472 3.521 40 0 FHABMO Cc1ccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCC[N@@H+]4C)[nH]n2)cc1 ZINC000257227301 534171255 /nfs/dbraw/zinc/17/12/55/534171255.db2.gz FOPNXKBARHHWQT-UNMCSNQZSA-N 1 1 366.509 3.864 40 0 FHABMO Cc1ccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCC[N@H+]4C)n[nH]2)cc1 ZINC000257227301 534171260 /nfs/dbraw/zinc/17/12/60/534171260.db2.gz FOPNXKBARHHWQT-UNMCSNQZSA-N 1 1 366.509 3.864 40 0 FHABMO Cc1ccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCC[N@@H+]4C)n[nH]2)cc1 ZINC000257227301 534171266 /nfs/dbraw/zinc/17/12/66/534171266.db2.gz FOPNXKBARHHWQT-UNMCSNQZSA-N 1 1 366.509 3.864 40 0 FHABMO Cc1nc(CN2CC[N@H+](C)C[C@H](Cc3cncc4ccccc43)C2)cs1 ZINC000257256496 534357790 /nfs/dbraw/zinc/35/77/90/534357790.db2.gz KLSPTGZYCHNXME-KRWDZBQOSA-N 1 1 366.534 3.606 40 0 FHABMO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccsc4)C2)OC3)cc1 ZINC000306143364 534453821 /nfs/dbraw/zinc/45/38/21/534453821.db2.gz YAGFBKWJMFMSOZ-HXUWFJFHSA-N 1 1 369.465 3.926 40 0 FHABMO Fc1ccc(C[N@H+]2C[C@H]3Cc4cnc(NCc5ccccc5)nc4[C@@H]3C2)cc1 ZINC000306133504 534464434 /nfs/dbraw/zinc/46/44/34/534464434.db2.gz MNHVZYJNBPGKFF-TZIWHRDSSA-N 1 1 374.463 4.000 40 0 FHABMO NC(=O)c1ccc(-c2ccc([C@@H]3CCCC[N@H+]3Cc3ccccn3)cn2)cc1 ZINC000257210751 534473471 /nfs/dbraw/zinc/47/34/71/534473471.db2.gz BWAOUMRSDXSZAT-QFIPXVFZSA-N 1 1 372.472 3.970 40 0 FHABMO NC(=O)c1ccc(-c2ccc([C@H]3CCCC[N@H+]3Cc3ccccn3)cn2)cc1 ZINC000257210750 534474291 /nfs/dbraw/zinc/47/42/91/534474291.db2.gz BWAOUMRSDXSZAT-JOCHJYFZSA-N 1 1 372.472 3.970 40 0 FHABMO Fc1ccc(Cc2cnc([C@H]3CCC[N@@H+](Cc4cnccn4)C3)o2)cc1 ZINC000257213783 534474160 /nfs/dbraw/zinc/47/41/60/534474160.db2.gz CJBGBNZVPWPIAE-INIZCTEOSA-N 1 1 352.413 3.574 40 0 FHABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2N1Cc1cccs1 ZINC000306143885 534853457 /nfs/dbraw/zinc/85/34/57/534853457.db2.gz YPPCMBWZNMQADV-ROUUACIJSA-N 1 1 369.515 3.693 40 0 FHABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]2N1Cc1cccs1 ZINC000306143885 534853460 /nfs/dbraw/zinc/85/34/60/534853460.db2.gz YPPCMBWZNMQADV-ROUUACIJSA-N 1 1 369.515 3.693 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000020043826 527372605 /nfs/dbraw/zinc/37/26/05/527372605.db2.gz PSCJTGSOHBUXSY-CQSZACIVSA-N 1 1 369.852 3.918 40 0 FHABMO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4ccccn4)[C@@H]3C[C@H]21 ZINC000257226401 527817639 /nfs/dbraw/zinc/81/76/39/527817639.db2.gz FKNDCRATCMJZLX-UKAVVXHISA-N 1 1 350.462 3.973 40 0 FHABMO CCNc1cc([C@@H]2CCC[N@H+]2CC2=Cc3ccccc3OC2)nc(C)n1 ZINC000257309490 528427039 /nfs/dbraw/zinc/42/70/39/528427039.db2.gz UBDPWJQNBHPRMR-IBGZPJMESA-N 1 1 350.466 3.830 40 0 FHABMO CCC[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3ccc(F)cc3F)ccc1C(=O)N2C ZINC000514289861 560031164 /nfs/dbraw/zinc/03/11/64/560031164.db2.gz PJYDHLRITZOMSJ-QUCCMNQESA-N 1 1 372.415 3.559 40 0 biogenic,in-vitro FHABMO COc1cccc(C[N@H+]2CC[C@H]3COC(=O)N3c3cc(C)ccc3C2)c1 ZINC000225489794 560042538 /nfs/dbraw/zinc/04/25/38/560042538.db2.gz DEGQOJLMZYBVIM-SFHVURJKSA-N 1 1 352.434 3.735 40 0 biogenic,in-vitro FHABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](C4CCCCC4)C3)nc2c1 ZINC000035446882 560079154 /nfs/dbraw/zinc/07/91/54/560079154.db2.gz ILCMUFWFQJIIOQ-AWEZNQCLSA-N 1 1 362.495 3.743 40 0 biogenic,in-vitro FHABMO Cc1ccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4cccnc4)CO3)CC2)s1 ZINC000096047985 570473536 /nfs/dbraw/zinc/47/35/36/570473536.db2.gz LXYQRERNWLVSLS-LJQANCHMSA-N 1 1 371.550 3.707 40 0 FHABMO O[C@@]1(COc2ccc(Cl)cc2)COCC[N@H+](C2CCCCCC2)C1 ZINC000585283560 570493101 /nfs/dbraw/zinc/49/31/01/570493101.db2.gz RXACQCZGONYTSJ-LJQANCHMSA-N 1 1 353.890 3.505 40 0 FHABMO Nc1cc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)ccn1 ZINC000072357462 570542627 /nfs/dbraw/zinc/54/26/27/570542627.db2.gz QMCXMSTYYGFBRX-LJQANCHMSA-N 1 1 361.493 3.866 40 0 FHABMO COc1cccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccccc4F)C3)n2)c1 ZINC000072369853 570546554 /nfs/dbraw/zinc/54/65/54/570546554.db2.gz RWBGZLATOQLGJR-MRXNPFEDSA-N 1 1 353.397 3.874 40 0 FHABMO CC[NH+](CC)c1ccc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000005236029 570622818 /nfs/dbraw/zinc/62/28/18/570622818.db2.gz VGKZSVLZPMJYLZ-IBGZPJMESA-N 1 1 356.422 3.831 40 0 FHABMO COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1ccccc1Cl ZINC000008373861 570680847 /nfs/dbraw/zinc/68/08/47/570680847.db2.gz POBQZFOMKQOPDB-UHFFFAOYSA-N 1 1 362.901 3.969 40 0 FHABMO COc1cc(C[NH2+]CCCN(C)C)ccc1OCc1ccccc1Cl ZINC000008373861 570680851 /nfs/dbraw/zinc/68/08/51/570680851.db2.gz POBQZFOMKQOPDB-UHFFFAOYSA-N 1 1 362.901 3.969 40 0 FHABMO CC(C)[N@H+]1CC[C@H](CCc2ccc(NC(=O)c3cc[nH]n3)cc2)[C@@H](C)C1 ZINC000012087360 570717107 /nfs/dbraw/zinc/71/71/07/570717107.db2.gz ZPDOVFWOQIPZDK-WMZOPIPTSA-N 1 1 354.498 3.961 40 0 FHABMO Cc1nc([C@H](Cc2ccsc2)NC(=O)CCn2cc[nH+]c2C)sc1C ZINC000012087901 570717462 /nfs/dbraw/zinc/71/74/62/570717462.db2.gz QSJUVXWFVLNSEU-INIZCTEOSA-N 1 1 374.535 3.817 40 0 FHABMO Cc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](Cc1ccsc1)c1nccs1 ZINC000012087878 570717681 /nfs/dbraw/zinc/71/76/81/570717681.db2.gz CLPMEVFGMCDBIQ-WFASDCNBSA-N 1 1 360.508 3.761 40 0 FHABMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H]1c1cc2cccnc2[nH]1 ZINC000012222550 570729401 /nfs/dbraw/zinc/72/94/01/570729401.db2.gz PERITNIZQPRDAP-QGZVFWFLSA-N 1 1 367.449 3.926 40 0 FHABMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H]1c1cc2cccnc2[nH]1 ZINC000012222550 570729403 /nfs/dbraw/zinc/72/94/03/570729403.db2.gz PERITNIZQPRDAP-QGZVFWFLSA-N 1 1 367.449 3.926 40 0 FHABMO OC1(c2ccc(F)cc2)CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000012240684 570730420 /nfs/dbraw/zinc/73/04/20/570730420.db2.gz OYLQRQXQRBEFJP-UHFFFAOYSA-N 1 1 363.816 3.691 40 0 FHABMO CCOc1ccc(I)c(C[NH2+]Cc2ccccc2)c1 ZINC000036612545 570834740 /nfs/dbraw/zinc/83/47/40/570834740.db2.gz WEEIXHDROAMZLT-UHFFFAOYSA-N 1 1 367.230 3.980 40 0 FHABMO O=C(c1ccc(N2CCCCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014399842 570850165 /nfs/dbraw/zinc/85/01/65/570850165.db2.gz GWHYNJTUPQTAMX-UHFFFAOYSA-N 1 1 363.505 3.635 40 0 FHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccc(F)cc3)cc2)C1 ZINC000224335023 570985405 /nfs/dbraw/zinc/98/54/05/570985405.db2.gz GPTPEMCSZJGGAW-QGZVFWFLSA-N 1 1 370.468 3.866 40 0 FHABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1CSc1ccc(C)cc1 ZINC000224340621 570985610 /nfs/dbraw/zinc/98/56/10/570985610.db2.gz PUELFNINRDCPIU-UHFFFAOYSA-N 1 1 370.518 3.684 40 0 FHABMO COc1ccc(CCC(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1C ZINC000224703725 570997930 /nfs/dbraw/zinc/99/79/30/570997930.db2.gz XWRYPWPFQADUSC-UHFFFAOYSA-N 1 1 363.461 3.747 40 0 FHABMO COc1ccc(CCC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1C ZINC000224741763 570999914 /nfs/dbraw/zinc/99/99/14/570999914.db2.gz SQBOLWVUHBACIX-UHFFFAOYSA-N 1 1 366.505 3.501 40 0 FHABMO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030867621 571051736 /nfs/dbraw/zinc/05/17/36/571051736.db2.gz SABPNMJUZZHYGV-SOLBZPMBSA-N 1 1 366.933 3.982 40 0 FHABMO Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000036752862 571082059 /nfs/dbraw/zinc/08/20/59/571082059.db2.gz CPHVYDLJFXEDFA-IBGZPJMESA-N 1 1 368.525 3.566 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000038757065 571086242 /nfs/dbraw/zinc/08/62/42/571086242.db2.gz DPZLVTFOJFGSBZ-CQSZACIVSA-N 1 1 369.852 3.918 40 0 FHABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000038834632 571087135 /nfs/dbraw/zinc/08/71/35/571087135.db2.gz BGRJSYPEYNYAKP-QGZVFWFLSA-N 1 1 354.450 3.555 40 0 FHABMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(OC)c1 ZINC000038834653 571087165 /nfs/dbraw/zinc/08/71/65/571087165.db2.gz UKLKQRKCHAPPIL-INIZCTEOSA-N 1 1 372.440 3.694 40 0 FHABMO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000038834450 571087283 /nfs/dbraw/zinc/08/72/83/571087283.db2.gz PWXWTFBNHKMZSS-LJQANCHMSA-N 1 1 366.461 3.714 40 0 FHABMO CC(C)(C)SCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038852204 571088162 /nfs/dbraw/zinc/08/81/62/571088162.db2.gz ZCXMVFWGUKHAKZ-MRXNPFEDSA-N 1 1 352.519 3.686 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1ccc(C(C)C)cc1 ZINC000044883065 571103447 /nfs/dbraw/zinc/10/34/47/571103447.db2.gz UNYKEYDMAPYBHF-UHFFFAOYSA-N 1 1 363.461 3.999 40 0 FHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000044899873 571103859 /nfs/dbraw/zinc/10/38/59/571103859.db2.gz YGDPWPHHMVDSEE-WBVHZDCISA-N 1 1 352.906 3.878 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)o1 ZINC000248059840 571127263 /nfs/dbraw/zinc/12/72/63/571127263.db2.gz CVVMBBBQWHFGPD-SFTDATJTSA-N 1 1 356.466 3.571 40 0 FHABMO c1csc(C[N@@H+]2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)c1 ZINC000253588833 571138598 /nfs/dbraw/zinc/13/85/98/571138598.db2.gz VEYZADMTSJRKEO-IBGZPJMESA-N 1 1 360.523 3.940 40 0 FHABMO c1csc(C[N@H+]2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)c1 ZINC000253588833 571138601 /nfs/dbraw/zinc/13/86/01/571138601.db2.gz VEYZADMTSJRKEO-IBGZPJMESA-N 1 1 360.523 3.940 40 0 FHABMO COc1ccc(C[N@H+]2C[C@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)cc1 ZINC000072340973 571179432 /nfs/dbraw/zinc/17/94/32/571179432.db2.gz HPMXDWWNRHTGIO-AAIMPIBUSA-N 1 1 367.489 3.824 40 0 FHABMO COC(=O)[C@]1(CC=C(C)C)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(OC)c1 ZINC000072341108 571179536 /nfs/dbraw/zinc/17/95/36/571179536.db2.gz WBSLODQSNBEOIO-LZNRXBQRSA-N 1 1 371.477 3.517 40 0 FHABMO COc1cccc(Cc2cccc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)c1 ZINC000072358158 571183240 /nfs/dbraw/zinc/18/32/40/571183240.db2.gz HRGAFWCJSLTFBR-QFIPXVFZSA-N 1 1 352.478 3.997 40 0 FHABMO COCC[N@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359359 571183794 /nfs/dbraw/zinc/18/37/94/571183794.db2.gz BHGLLPYLRIZMOS-OAHLLOKOSA-N 1 1 365.399 3.988 40 0 FHABMO Fc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377421 571185977 /nfs/dbraw/zinc/18/59/77/571185977.db2.gz RWIAZUQIMCBBTP-SFHVURJKSA-N 1 1 364.428 3.877 40 0 FHABMO Fc1ccc(C[N@H+]2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377421 571185978 /nfs/dbraw/zinc/18/59/78/571185978.db2.gz RWIAZUQIMCBBTP-SFHVURJKSA-N 1 1 364.428 3.877 40 0 FHABMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377431 571186661 /nfs/dbraw/zinc/18/66/61/571186661.db2.gz IMFZNFMWLZHUAH-IBGZPJMESA-N 1 1 361.449 3.961 40 0 FHABMO COc1cccc(C[N@H+]2CCCC[C@H]3CN(C(=O)C4CCCC4)C[C@H]32)c1 ZINC000072399154 571190681 /nfs/dbraw/zinc/19/06/81/571190681.db2.gz QFYOJOLDESHODN-PZJWPPBQSA-N 1 1 356.510 3.698 40 0 FHABMO COc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)cc1 ZINC000072395565 571190857 /nfs/dbraw/zinc/19/08/57/571190857.db2.gz YLJDTDVOKQGSKA-VQTJNVASSA-N 1 1 351.425 3.941 40 0 FHABMO CSc1ncc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(C)cc4)[C@@H]3C2)cn1 ZINC000248084665 571291068 /nfs/dbraw/zinc/29/10/68/571291068.db2.gz KNBCWMOYTUBDJR-FBBABVLZSA-N 1 1 369.534 3.627 40 0 FHABMO Cc1cc2nc([C@H]3CCC[N@H+](CC[C@H](C)c4ccccc4)C3)cc(N)n2n1 ZINC000248340335 571291320 /nfs/dbraw/zinc/29/13/20/571291320.db2.gz UVGASQWPSILMPX-LPHOPBHVSA-N 1 1 363.509 3.993 40 0 FHABMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@@H]3C2)cc1 ZINC000012328564 571303457 /nfs/dbraw/zinc/30/34/57/571303457.db2.gz HPMXDWWNRHTGIO-QTGUNEKASA-N 1 1 367.489 3.824 40 0 FHABMO CC[N@@H+](C)[C@@H]1CN(C(=O)c2oc3c(c2C)C(=O)CCC3)C2(C1)CCCCC2 ZINC000019703810 571304480 /nfs/dbraw/zinc/30/44/80/571304480.db2.gz XYNCYXWNQSXTGJ-INIZCTEOSA-N 1 1 372.509 3.976 40 0 FHABMO Cc1ncc(C[N@H+]2CC[C@@H]3[C@H]2CCCC(=O)N3Cc2ccc(F)cc2)s1 ZINC000019713291 571304630 /nfs/dbraw/zinc/30/46/30/571304630.db2.gz UUTKZNHVSIUQLC-RTBURBONSA-N 1 1 373.497 3.746 40 0 FHABMO C[N@H+]1CCCCC[C@@H]2N(C(=O)c3ccn[nH]3)[C@H](Cc3ccccc3)C[C@@]21C ZINC000019713483 571304863 /nfs/dbraw/zinc/30/48/63/571304863.db2.gz SCHDENFZXVWZOX-CBQOVEMMSA-N 1 1 366.509 3.500 40 0 FHABMO C[N@@H+]1CCCCC[C@@H]2N(C(=O)c3cc[nH]n3)[C@H](Cc3ccccc3)C[C@@]21C ZINC000019713483 571304865 /nfs/dbraw/zinc/30/48/65/571304865.db2.gz SCHDENFZXVWZOX-CBQOVEMMSA-N 1 1 366.509 3.500 40 0 FHABMO C[N@H+]1CCCCC[C@@H]2N(C(=O)c3cc[nH]n3)[C@H](Cc3ccccc3)C[C@@]21C ZINC000019713483 571304867 /nfs/dbraw/zinc/30/48/67/571304867.db2.gz SCHDENFZXVWZOX-CBQOVEMMSA-N 1 1 366.509 3.500 40 0 FHABMO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccccc3C)[nH]2)cc1OCC ZINC000095534572 571331341 /nfs/dbraw/zinc/33/13/41/571331341.db2.gz MEJKCEBKXUUSOI-SFHVURJKSA-N 1 1 352.438 3.626 40 0 FHABMO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3Cl)n[nH]2)cc1OC ZINC000095534283 571331519 /nfs/dbraw/zinc/33/15/19/571331519.db2.gz VLTVLORIWHGYQE-MRXNPFEDSA-N 1 1 358.829 3.581 40 0 FHABMO COc1cccc(-c2[nH+]c3c(C)cccn3c2NC[C@H]2CCCO2)c1OC ZINC000000883879 219336983 /nfs/dbraw/zinc/33/69/83/219336983.db2.gz YFPNPQDITADTQX-OAHLLOKOSA-N 1 1 367.449 3.918 40 0 FHABMO S=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)Nc1ccncc1 ZINC000225217593 222831543 /nfs/dbraw/zinc/83/15/43/222831543.db2.gz OXBXUXHMKCJSDM-UHFFFAOYSA-N 1 1 357.870 3.682 40 0 FHABMO Cc1cccc(Nc2cc([C@H]3CCC[N@H+](Cc4ccnn4C)C3)ccn2)n1 ZINC000257212455 223021382 /nfs/dbraw/zinc/02/13/82/223021382.db2.gz CDLPYIQXSMCMLH-SFHVURJKSA-N 1 1 362.481 3.642 40 0 FHABMO c1c[nH]c(-c2cncc(C[C@H]3CCC[N@@H+](Cc4cccc5[nH]ccc54)C3)n2)n1 ZINC000257213621 223021769 /nfs/dbraw/zinc/02/17/69/223021769.db2.gz CIJJMZQLZCTXFQ-MRXNPFEDSA-N 1 1 372.476 3.803 40 0 FHABMO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000257247236 223035641 /nfs/dbraw/zinc/03/56/41/223035641.db2.gz IYCIGUUECRUHIN-MRXNPFEDSA-N 1 1 351.429 3.694 40 0 FHABMO Cc1cccc(C[N@H+]2CC[C@@]3(CN(Cc4ccccn4)c4cccnc43)C2)c1 ZINC000306130582 223108338 /nfs/dbraw/zinc/10/83/38/223108338.db2.gz JKEKAIABMRVISL-DEOSSOPVSA-N 1 1 370.500 3.949 40 0 FHABMO COc1ccc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4cccs4)C[C@H]2C3)cc1 ZINC000306135171 223110303 /nfs/dbraw/zinc/11/03/03/223110303.db2.gz OJSVPQZBCAVOEE-SJORKVTESA-N 1 1 365.502 3.925 40 0 FHABMO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3ccc(OC(C)C)cc3)C[C@H]21 ZINC000013227682 220061786 /nfs/dbraw/zinc/06/17/86/220061786.db2.gz CWALPVSVYPZMFK-WPYKKVEZSA-N 1 1 366.505 3.907 40 0 FHABMO OCC[N@@H+](Cc1ccc(OCc2ccccc2F)cc1)Cc1cccnc1 ZINC000013569642 220074699 /nfs/dbraw/zinc/07/46/99/220074699.db2.gz CPBLXJGVUQBIJH-UHFFFAOYSA-N 1 1 366.436 3.794 40 0 FHABMO COc1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc(OC)c1OC ZINC000013993286 220101726 /nfs/dbraw/zinc/10/17/26/220101726.db2.gz HDJYFTBSBDFGED-IBGZPJMESA-N 1 1 371.477 3.894 40 0 FHABMO COc1ccccc1C[N@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(C)=O ZINC000019019534 220233474 /nfs/dbraw/zinc/23/34/74/220233474.db2.gz ROAOSBYDCCOEHP-UFYCRDLUSA-N 1 1 370.518 3.593 40 0 FHABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000019081974 220235827 /nfs/dbraw/zinc/23/58/27/220235827.db2.gz JZQPUGTZEMYQPR-XLIONFOSSA-N 1 1 366.509 3.592 40 0 FHABMO COc1cccc(C[N@H+]2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)c1 ZINC000019120780 220238078 /nfs/dbraw/zinc/23/80/78/220238078.db2.gz HYLPOYYZBRRSBR-OAHLLOKOSA-N 1 1 370.478 3.890 40 0 FHABMO Cc1ccc(-c2cc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)nc(N(C)C)n2)cc1 ZINC000019212204 220239552 /nfs/dbraw/zinc/23/95/52/220239552.db2.gz SQUBRZPOFWGPCQ-HXUWFJFHSA-N 1 1 373.504 3.903 40 0 FHABMO COc1c(C)cccc1CN1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019235984 220243139 /nfs/dbraw/zinc/24/31/39/220243139.db2.gz PLHKEGCMEHVSMV-HXUWFJFHSA-N 1 1 366.509 3.509 40 0 FHABMO Cc1cccnc1CN(Cc1ccccc1)C(=O)Cn1cc[nH+]c1C(C)C ZINC000019237769 220243279 /nfs/dbraw/zinc/24/32/79/220243279.db2.gz HMKSEPWZHPKEMG-UHFFFAOYSA-N 1 1 362.477 3.939 40 0 FHABMO OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000019346437 220251850 /nfs/dbraw/zinc/25/18/50/220251850.db2.gz HFPHZDRLPLWEEP-NYTJIUQPSA-N 1 1 353.491 3.656 40 0 FHABMO C[C@H](Cc1ccccn1)[N@@H+](C)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1 ZINC000019456956 220257916 /nfs/dbraw/zinc/25/79/16/220257916.db2.gz XRFUCHNCDXNMCH-BEFAXECRSA-N 1 1 350.466 3.872 40 0 FHABMO C[C@H]1CCCC[N@H+]1CCNCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000019496376 220261373 /nfs/dbraw/zinc/26/13/73/220261373.db2.gz SDSGIDKAYNAHTH-ZDUSSCGKSA-N 1 1 368.403 3.719 40 0 FHABMO CCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)no1 ZINC000019503712 220265771 /nfs/dbraw/zinc/26/57/71/220265771.db2.gz HFHRPVHQUFIMAJ-HNNXBMFYSA-N 1 1 361.873 3.847 40 0 FHABMO CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](CC2CC2)C1 ZINC000019529119 220268930 /nfs/dbraw/zinc/26/89/30/220268930.db2.gz AUPQQKIFTYNACX-QHCPKHFHSA-N 1 1 363.505 3.529 40 0 FHABMO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc3c4ccccc4n(C)c3c1)C2 ZINC000019576617 220275884 /nfs/dbraw/zinc/27/58/84/220275884.db2.gz SPSFKRJLLIPKAZ-UHFFFAOYSA-N 1 1 358.445 3.694 40 0 FHABMO Cc1nn(-c2ccccc2C)c(C)c1C[NH+]1CCN(c2nccs2)CC1 ZINC000019658931 220283669 /nfs/dbraw/zinc/28/36/69/220283669.db2.gz DSIRDQPNFKRABX-UHFFFAOYSA-N 1 1 367.522 3.576 40 0 FHABMO CCc1[nH+]ccn1[C@@H](C)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000019666326 220285670 /nfs/dbraw/zinc/28/56/70/220285670.db2.gz JCTLNKAMLNEGKQ-LBPRGKRZSA-N 1 1 368.462 3.704 40 0 FHABMO Cn1nccc1C[N@H+]1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 ZINC000019690301 220285977 /nfs/dbraw/zinc/28/59/77/220285977.db2.gz DXGFALVDJLHHTH-IBGZPJMESA-N 1 1 364.468 3.925 40 0 FHABMO CC1(NC(=O)c2ccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)nc2)CCC1 ZINC000019705791 220286087 /nfs/dbraw/zinc/28/60/87/220286087.db2.gz PQABGEBZENLLDO-SFHVURJKSA-N 1 1 364.493 3.529 40 0 FHABMO Cc1ccc(-c2ncc(C[N@H+]3CC[C@](O)(c4ccc(C)cc4)C3)cn2)cc1 ZINC000019715868 220290158 /nfs/dbraw/zinc/29/01/58/220290158.db2.gz HJQMBKGHCWUHRH-HSZRJFAPSA-N 1 1 359.473 3.854 40 0 FHABMO COc1cc2c(cc1OC)[C@@H](c1cc(Br)ccc1F)[NH2+]CC2 ZINC000020507054 220332030 /nfs/dbraw/zinc/33/20/30/220332030.db2.gz AWNWKFCKJKFYHO-KRWDZBQOSA-N 1 1 366.230 3.841 40 0 FHABMO CC[N@@H+]1CCc2nc(NC(=O)/C=C/c3ccc([C@H]4C[C@@H]4C)o3)sc2C1 ZINC000048353857 221009903 /nfs/dbraw/zinc/00/99/03/221009903.db2.gz ZOZKASDYEMQXJD-COWJPUMTSA-N 1 1 357.479 3.889 40 0 FHABMO CC[N@H+]1CCc2nc(NC(=O)/C=C/c3ccc([C@H]4C[C@@H]4C)o3)sc2C1 ZINC000048353857 221009905 /nfs/dbraw/zinc/00/99/05/221009905.db2.gz ZOZKASDYEMQXJD-COWJPUMTSA-N 1 1 357.479 3.889 40 0 FHABMO Cn1cc(C[N@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)c2ccccc21 ZINC000049169714 221020348 /nfs/dbraw/zinc/02/03/48/221020348.db2.gz DIAOIUAALVNZJV-INIZCTEOSA-N 1 1 359.433 3.613 40 0 biogenic,in-vitro FHABMO COc1ccc(-c2cc(CC3([NH2+]Cc4cccs4)COC3)no2)cc1 ZINC000067898365 221303257 /nfs/dbraw/zinc/30/32/57/221303257.db2.gz VPBJXWPVBJDPRN-UHFFFAOYSA-N 1 1 356.447 3.513 40 0 biogenic,in-vitro FHABMO COc1cccc(Cc2cnc([C@@H]3CC[N@H+](Cc4cscn4)C3)o2)c1 ZINC000257297809 533550910 /nfs/dbraw/zinc/55/09/10/533550910.db2.gz RIWLMJAEIGPTEP-OAHLLOKOSA-N 1 1 355.463 3.720 40 0 FHABMO COc1cccc(Cc2cnc([C@@H]3CC[N@@H+](Cc4cscn4)C3)o2)c1 ZINC000257297809 533550911 /nfs/dbraw/zinc/55/09/11/533550911.db2.gz RIWLMJAEIGPTEP-OAHLLOKOSA-N 1 1 355.463 3.720 40 0 FHABMO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NC3CC3)[nH+]c(C3CC3)n1)C2 ZINC000329012669 132372553 /nfs/dbraw/zinc/37/25/53/132372553.db2.gz MLXORXZLDPBJMA-CYBMUJFWSA-N 1 1 350.466 3.544 40 0 FHABMO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NC3CC3)nc(C3CC3)[nH+]1)C2 ZINC000329012669 132372554 /nfs/dbraw/zinc/37/25/54/132372554.db2.gz MLXORXZLDPBJMA-CYBMUJFWSA-N 1 1 350.466 3.544 40 0 FHABMO CC(C)[C@@H](CO)Nc1nc(N2Cc3ccccc3C[C@@H]2C)cc(C2CC2)[nH+]1 ZINC000329034404 132372777 /nfs/dbraw/zinc/37/27/77/132372777.db2.gz QZEMZKMFEYSDSF-MGPUTAFESA-N 1 1 366.509 3.734 40 0 FHABMO Cc1ccsc1C[N@H+]1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096107284 222026598 /nfs/dbraw/zinc/02/65/98/222026598.db2.gz IBQXRDRLFDGEFY-QUCCMNQESA-N 1 1 358.507 3.792 40 0 FHABMO Cc1ccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccco4)CO3)CC2)s1 ZINC000096048009 222000289 /nfs/dbraw/zinc/00/02/89/222000289.db2.gz VOCQLLFZGXDCIL-QGZVFWFLSA-N 1 1 360.523 3.905 40 0 FHABMO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2nccs2)CC3)c1 ZINC000096049435 222002127 /nfs/dbraw/zinc/00/21/27/222002127.db2.gz JSEWUUAAVRUUGS-UHFFFAOYSA-N 1 1 355.507 3.609 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccc(C)n2)s1 ZINC000096056636 222005640 /nfs/dbraw/zinc/00/56/40/222005640.db2.gz HEUVXGGETZFSNN-RTBURBONSA-N 1 1 355.507 3.525 40 0 FHABMO COC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2cn(CC3CCCC3)nc21 ZINC000096059994 222007825 /nfs/dbraw/zinc/00/78/25/222007825.db2.gz FHESDCOEKIDUIT-FQEVSTJZSA-N 1 1 369.509 3.828 40 0 FHABMO COC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)Cc2cn(CC3CCCC3)nc21 ZINC000096059994 222007829 /nfs/dbraw/zinc/00/78/29/222007829.db2.gz FHESDCOEKIDUIT-FQEVSTJZSA-N 1 1 369.509 3.828 40 0 FHABMO Cc1nc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(C)n2)C3)cs1 ZINC000096071605 222012310 /nfs/dbraw/zinc/01/23/10/222012310.db2.gz ACZLNFRDGIGIFB-HXUWFJFHSA-N 1 1 356.539 3.643 40 0 FHABMO O=C(c1cc2ccccc2[nH]1)N1CC[C@@]2(CC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000096076060 222013301 /nfs/dbraw/zinc/01/33/01/222013301.db2.gz HZQKZVWZOIDLLB-JOCHJYFZSA-N 1 1 363.436 3.798 40 0 FHABMO O=C(c1cc2ccccc2[nH]1)N1CC[C@@]2(CC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000096076060 222013306 /nfs/dbraw/zinc/01/33/06/222013306.db2.gz HZQKZVWZOIDLLB-JOCHJYFZSA-N 1 1 363.436 3.798 40 0 FHABMO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(C)n2)C3)c(C)o1 ZINC000096216204 222082133 /nfs/dbraw/zinc/08/21/33/222082133.db2.gz DXCBLYVVOFCGSC-JOCHJYFZSA-N 1 1 367.493 3.728 40 0 FHABMO Cc1noc(C)c1C(=O)N1[C@@H](c2ccccc2)C[C@H]2[C@H]1CCCC[N@@H+]2C ZINC000257248328 534321181 /nfs/dbraw/zinc/32/11/81/534321181.db2.gz JDDLOALAAAZYKI-QRVBRYPASA-N 1 1 353.466 3.732 40 0 FHABMO Cc1ccc2c(c1)OC1(CC[NH+](Cc3cn(C)cn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257328283 534428223 /nfs/dbraw/zinc/42/82/23/534428223.db2.gz XEZVADRSGPTFHW-PZJWPPBQSA-N 1 1 367.493 3.623 40 0 FHABMO Fc1cccc(C[N@H+]2CC[C@]3(CN(Cc4ccccn4)c4cccnc43)C2)c1 ZINC000306128578 534518220 /nfs/dbraw/zinc/51/82/20/534518220.db2.gz HFGSMJNXFIVKMJ-HSZRJFAPSA-N 1 1 374.463 3.780 40 0 FHABMO CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020458872 522867651 /nfs/dbraw/zinc/86/76/51/522867651.db2.gz KEPMPIFSTUZFOG-NRFANRHFSA-N 1 1 366.505 3.805 40 0 FHABMO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000020492698 523041290 /nfs/dbraw/zinc/04/12/90/523041290.db2.gz DJSUFNGCTULXRI-HXUWFJFHSA-N 1 1 367.424 3.794 40 0 FHABMO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000020110148 523052735 /nfs/dbraw/zinc/05/27/35/523052735.db2.gz IFJFHGQVMURPJP-FXAWDEMLSA-N 1 1 362.514 3.623 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000020456296 527386479 /nfs/dbraw/zinc/38/64/79/527386479.db2.gz ZQNHVQLZHYDYDE-KRWDZBQOSA-N 1 1 363.461 3.881 40 0 FHABMO CCCC[N@@H+]1CC(F)(F)C[C@@]2(CCCN(Cc3cccc(C)n3)C2=O)C1 ZINC000306142421 528453937 /nfs/dbraw/zinc/45/39/37/528453937.db2.gz WZBUVIPOGCZBOU-IBGZPJMESA-N 1 1 365.468 3.640 40 0 FHABMO CCCC[N@H+]1CC(F)(F)C[C@@]2(CCCN(Cc3cccc(C)n3)C2=O)C1 ZINC000306142421 528453940 /nfs/dbraw/zinc/45/39/40/528453940.db2.gz WZBUVIPOGCZBOU-IBGZPJMESA-N 1 1 365.468 3.640 40 0 FHABMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000023253740 568392113 /nfs/dbraw/zinc/39/21/13/568392113.db2.gz LVKDVCPXUOPHKG-UHFFFAOYSA-N 1 1 359.473 3.596 40 0 FHABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)cs1 ZINC000096040175 570472908 /nfs/dbraw/zinc/47/29/08/570472908.db2.gz ZUGYZQHBLMXGKS-WOJBJXKFSA-N 1 1 358.507 3.731 40 0 FHABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3cccnc3)CC2)N1Cc1cccc(F)c1 ZINC000096047558 570473714 /nfs/dbraw/zinc/47/37/14/570473714.db2.gz LTSNXKOTWVRVBM-JOCHJYFZSA-N 1 1 367.468 3.768 40 0 FHABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)CC2)s1 ZINC000096047536 570473723 /nfs/dbraw/zinc/47/37/23/570473723.db2.gz YXAAGUPRVYGFPN-OAQYLSRUSA-N 1 1 369.534 3.999 40 0 FHABMO Cc1cccc(CN2CC[C@]3(CCC[N@@H+](Cc4ccc(F)cc4)C3)C2=O)n1 ZINC000096048796 570474394 /nfs/dbraw/zinc/47/43/94/570474394.db2.gz UHMVGFGCPGDLFV-QFIPXVFZSA-N 1 1 367.468 3.544 40 0 FHABMO Cc1cnc(Nc2cccc([C@H]3CCC[N@H+](Cc4cnn(C)c4)C3)n2)s1 ZINC000585262559 570481489 /nfs/dbraw/zinc/48/14/89/570481489.db2.gz FFSCTAMYSNGRSE-INIZCTEOSA-N 1 1 368.510 3.703 40 0 FHABMO CC(C)(C)[C@H]1CC[C@H]([N@H+]2CCOC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585284948 570494003 /nfs/dbraw/zinc/49/40/03/570494003.db2.gz BDJMGZJZTDKMJL-IPJJNNNSSA-N 1 1 361.526 3.734 40 0 FHABMO CCCC(CCC)[N@H+]1CCOC[C@](O)(COc2ccc(Cl)cc2)C1 ZINC000585284618 570494272 /nfs/dbraw/zinc/49/42/72/570494272.db2.gz YWIUUMGPYMDASY-IBGZPJMESA-N 1 1 355.906 3.751 40 0 FHABMO FC(F)(F)c1nc(-c2ccc([C@H]3CCC[N@@H+](CC4CC4)C3)nc2)no1 ZINC000585289092 570495177 /nfs/dbraw/zinc/49/51/77/570495177.db2.gz DLPBLBHCTIYDCY-ZDUSSCGKSA-N 1 1 352.360 3.740 40 0 FHABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216402 570533353 /nfs/dbraw/zinc/53/33/53/570533353.db2.gz YSSHLLJSJYFFPZ-SFHVURJKSA-N 1 1 374.529 3.684 40 0 FHABMO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cnc1N1CCOCC1 ZINC000072219366 570534555 /nfs/dbraw/zinc/53/45/55/570534555.db2.gz XTKDACQDOJWGEJ-NRFANRHFSA-N 1 1 351.494 3.954 40 0 FHABMO CNc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c(C)[nH+]1 ZINC000072219138 570534591 /nfs/dbraw/zinc/53/45/91/570534591.db2.gz YFVFTZQPCDPSHK-GOSISDBHSA-N 1 1 359.495 3.656 40 0 FHABMO CCOc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000072228105 570536258 /nfs/dbraw/zinc/53/62/58/570536258.db2.gz WJNXHCXHECUVQI-CVEARBPZSA-N 1 1 350.340 3.519 40 0 FHABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072228107 570536369 /nfs/dbraw/zinc/53/63/69/570536369.db2.gz XNTCZJARRKATKW-HOTGVXAUSA-N 1 1 351.233 3.807 40 0 FHABMO COc1cc2cccnc2c(NC[C@@](C)(O)C[N@H+]2CCC[C@@H](C)[C@H]2C)c1 ZINC000004522440 570595213 /nfs/dbraw/zinc/59/52/13/570595213.db2.gz RDWVATZAASWVFR-WHSLLNHNSA-N 1 1 357.498 3.527 40 0 FHABMO CCCC[N@@H+](C[C@@H](O)CNc1cc(OC)cc2cccnc21)[C@@H](C)CC ZINC000004522424 570595226 /nfs/dbraw/zinc/59/52/26/570595226.db2.gz RVIXLFBINVXPGJ-WMZOPIPTSA-N 1 1 359.514 3.917 40 0 FHABMO COc1ccc(CN(C(=O)c2ccco2)[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004325758 570666784 /nfs/dbraw/zinc/66/67/84/570666784.db2.gz SUTXCIMFRCHMFF-GJYPPUQNSA-N 1 1 356.466 3.659 40 0 FHABMO COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1ccc(Cl)cc1 ZINC000008373856 570680718 /nfs/dbraw/zinc/68/07/18/570680718.db2.gz PDMCFISMQIQCPA-UHFFFAOYSA-N 1 1 362.901 3.969 40 0 FHABMO COc1cc(C[NH2+]CCCN(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000008373856 570680719 /nfs/dbraw/zinc/68/07/19/570680719.db2.gz PDMCFISMQIQCPA-UHFFFAOYSA-N 1 1 362.901 3.969 40 0 FHABMO C[C@H]1Cc2cc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3ccccn3)ccc2O1 ZINC000012135209 570721229 /nfs/dbraw/zinc/72/12/29/570721229.db2.gz GTPPEZDUZPHZMZ-SRSMGXFPSA-N 1 1 364.489 3.525 40 0 FHABMO CC(C)(CN1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2)C[NH+]1CCCC1 ZINC000012219975 570728483 /nfs/dbraw/zinc/72/84/83/570728483.db2.gz PMXVSZGZRAMYHV-RLAPIPATSA-N 1 1 360.517 3.762 40 0 FHABMO CC(C)(CN1CCCC1)C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 ZINC000012219975 570728485 /nfs/dbraw/zinc/72/84/85/570728485.db2.gz PMXVSZGZRAMYHV-RLAPIPATSA-N 1 1 360.517 3.762 40 0 FHABMO CC(C)(CN1CCCC1)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 ZINC000012219975 570728486 /nfs/dbraw/zinc/72/84/86/570728486.db2.gz PMXVSZGZRAMYHV-RLAPIPATSA-N 1 1 360.517 3.762 40 0 FHABMO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)[nH]1 ZINC000012256672 570731446 /nfs/dbraw/zinc/73/14/46/570731446.db2.gz WYKHNBKYDAKDCP-LJQANCHMSA-N 1 1 360.461 3.666 40 0 FHABMO CCOc1cc(C[N@H+]2CCc3sccc3[C@H]2CC)ccc1OCC(N)=O ZINC000012364221 570738710 /nfs/dbraw/zinc/73/87/10/570738710.db2.gz MCJVLNQHAYPOOD-MRXNPFEDSA-N 1 1 374.506 3.520 40 0 FHABMO Cc1nc([C@H]2CCCC[N@@H+]2C2CCCC2)nc2c1CCC(=O)N2CC1CC1 ZINC000019740923 570901781 /nfs/dbraw/zinc/90/17/81/570901781.db2.gz NYUAXFRXGAZFID-LJQANCHMSA-N 1 1 368.525 3.944 40 0 FHABMO Cc1nc([C@H]2CCCC[N@H+]2C2CCCC2)nc2c1CCC(=O)N2CC1CC1 ZINC000019740923 570901783 /nfs/dbraw/zinc/90/17/83/570901783.db2.gz NYUAXFRXGAZFID-LJQANCHMSA-N 1 1 368.525 3.944 40 0 FHABMO CC(C)(C)OC(=O)[C@H]([NH3+])Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000113936215 570966988 /nfs/dbraw/zinc/96/69/88/570966988.db2.gz HUJOZLUMSHQHDO-OAHLLOKOSA-N 1 1 360.454 3.636 40 0 FHABMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000224979366 571008366 /nfs/dbraw/zinc/00/83/66/571008366.db2.gz IWRPOGDZLVBZHH-KDURUIRLSA-N 1 1 350.506 3.990 40 0 FHABMO C[NH+](C)[C@@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000225183513 571020565 /nfs/dbraw/zinc/02/05/65/571020565.db2.gz ISTRWHWMMHQWHJ-HXUWFJFHSA-N 1 1 354.494 3.782 40 0 FHABMO COc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000225322236 571028074 /nfs/dbraw/zinc/02/80/74/571028074.db2.gz GQAHAIZUTGCCRX-UHFFFAOYSA-N 1 1 358.869 3.527 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(F)cc1F ZINC000225450045 571036120 /nfs/dbraw/zinc/03/61/20/571036120.db2.gz ZCBNTNRBIPGJFO-UHFFFAOYSA-N 1 1 358.417 3.946 40 0 FHABMO COc1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030946128 571053464 /nfs/dbraw/zinc/05/34/64/571053464.db2.gz ZNIWWLJFSFKPMR-IBGZPJMESA-N 1 1 370.468 3.705 40 0 FHABMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COCC(c2ccccc2)c2ccccc2)C1 ZINC000226170668 571076447 /nfs/dbraw/zinc/07/64/47/571076447.db2.gz XNXJVORMCRDQEW-DENIHFKCSA-N 1 1 353.506 3.928 40 0 FHABMO COC(=O)c1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c1C ZINC000038858239 571088422 /nfs/dbraw/zinc/08/84/22/571088422.db2.gz VPMBSICSLWUMOJ-UHFFFAOYSA-N 1 1 363.417 3.587 40 0 FHABMO CCn1nc(C)c(C[N@@H+](CCCn2ccnc2)Cc2cccc(F)c2)c1C ZINC000043277721 571100193 /nfs/dbraw/zinc/10/01/93/571100193.db2.gz GYAOCHAUMZTYDQ-UHFFFAOYSA-N 1 1 369.488 3.948 40 0 FHABMO CCOc1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2CC)cc1OCC ZINC000260842708 571124368 /nfs/dbraw/zinc/12/43/68/571124368.db2.gz RSTHJPPXVXRGFJ-GOSISDBHSA-N 1 1 362.514 3.868 40 0 FHABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccc(C)s3)C[C@H]12 ZINC000248080598 571127354 /nfs/dbraw/zinc/12/73/54/571127354.db2.gz ITLKYKOGCOJECH-SFTDATJTSA-N 1 1 354.519 3.821 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)o1 ZINC000248122160 571127811 /nfs/dbraw/zinc/12/78/11/571127811.db2.gz VMXWFGDFSHZRGR-SFTDATJTSA-N 1 1 356.466 3.571 40 0 FHABMO Cc1ccsc1C[NH+]1CC2(C1)OCC[C@@H]2CCOCc1ccncc1 ZINC000253598388 571138847 /nfs/dbraw/zinc/13/88/47/571138847.db2.gz ALANDHWIDFNKDR-SFHVURJKSA-N 1 1 358.507 3.649 40 0 FHABMO CCc1nccn1-c1nccnc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072350544 571181734 /nfs/dbraw/zinc/18/17/34/571181734.db2.gz CZRIIIKNHOJOKC-LJQANCHMSA-N 1 1 361.493 3.647 40 0 FHABMO CNC(=O)c1sc2ccccc2c1[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000072352430 571182118 /nfs/dbraw/zinc/18/21/18/571182118.db2.gz WNXACOQANJXMTK-AWEZNQCLSA-N 1 1 366.490 3.662 40 0 FHABMO O=C(C1CCCCC1)N1CC[N@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355088 571182266 /nfs/dbraw/zinc/18/22/66/571182266.db2.gz QSXQGFZNWAWDOM-IBGZPJMESA-N 1 1 369.553 3.907 40 0 FHABMO CCn1ccnc1C[NH+]1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 ZINC000072359817 571184220 /nfs/dbraw/zinc/18/42/20/571184220.db2.gz CJDADMPSGKTVNY-UHFFFAOYSA-N 1 1 365.456 3.879 40 0 FHABMO COc1cccc(-c2noc([C@H]3CC[N@@H+](Cc4ccccc4OC)C3)n2)c1 ZINC000072369878 571185035 /nfs/dbraw/zinc/18/50/35/571185035.db2.gz ALDXGPHIUFUNHG-KRWDZBQOSA-N 1 1 365.433 3.743 40 0 FHABMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1cccc(Nc2ncccc2C)n1 ZINC000072375348 571185701 /nfs/dbraw/zinc/18/57/01/571185701.db2.gz PGUSQXUEUACNAT-LJQANCHMSA-N 1 1 362.481 3.908 40 0 FHABMO Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000072390419 571189957 /nfs/dbraw/zinc/18/99/57/571189957.db2.gz WUTXIZZJCLRCEZ-HRAATJIYSA-N 1 1 368.525 3.611 40 0 FHABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](CC2CC2)C1 ZINC000072391299 571189990 /nfs/dbraw/zinc/18/99/90/571189990.db2.gz NPGMUACQQZFRBA-QHCPKHFHSA-N 1 1 363.505 3.529 40 0 FHABMO Cc1ccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cccc5cccnc54)C[C@H]32)nc1 ZINC000072392559 571190307 /nfs/dbraw/zinc/19/03/07/571190307.db2.gz OXSYIRJHSHIRLW-NOXFTYBFSA-N 1 1 359.473 3.668 40 0 FHABMO Cc1ccc2c(c1)CN(Cc1ccc(F)cc1)CC1(CC[NH+](C)CC1)O2 ZINC000072394182 571190380 /nfs/dbraw/zinc/19/03/80/571190380.db2.gz VGTJICRZYNZJBZ-UHFFFAOYSA-N 1 1 354.469 3.993 40 0 FHABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)[C@@H]1CC=CCC1 ZINC000257297039 571215546 /nfs/dbraw/zinc/21/55/46/571215546.db2.gz RFNKGEGOGLAGJD-GUDVDZBRSA-N 1 1 372.557 3.570 40 0 FHABMO Cc1ncsc1C[N@@H+]1Cc2cccn2C[C@H](CCNc2ccccn2)C1 ZINC000585095064 571219655 /nfs/dbraw/zinc/21/96/55/571219655.db2.gz CKCAUVRHKAUTPM-QGZVFWFLSA-N 1 1 367.522 3.782 40 0 FHABMO Cc1cccc(C[N@@H+]2Cc3cccn3C[C@H](CCNc3ccccn3)C2)n1 ZINC000585095542 571220353 /nfs/dbraw/zinc/22/03/53/571220353.db2.gz VVJLVDKMOAPTJK-LJQANCHMSA-N 1 1 361.493 3.721 40 0 FHABMO COCC[N@H+]1CCC[C@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2 ZINC000585100291 571221285 /nfs/dbraw/zinc/22/12/85/571221285.db2.gz JUEBDCDWFSSSRP-IBGZPJMESA-N 1 1 368.880 3.586 40 0 FHABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCCN2C(=O)c2ccoc2)CC1 ZINC000585100245 571221488 /nfs/dbraw/zinc/22/14/88/571221488.db2.gz IVNXTJOCBLVYSQ-FQEVSTJZSA-N 1 1 357.454 3.545 40 0 FHABMO O=C1CC[C@]2(CCC[N@H+](CC3CC(F)(F)C3)CC2)N1Cc1cncs1 ZINC000585100722 571221721 /nfs/dbraw/zinc/22/17/21/571221721.db2.gz USFUSGJWYRTPSX-KRWDZBQOSA-N 1 1 369.481 3.536 40 0 FHABMO C[C@@H](c1ccccc1)[N@H+]1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104206 571223001 /nfs/dbraw/zinc/22/30/01/571223001.db2.gz KVOGVFDFGQFHAG-HTAPYJJXSA-N 1 1 368.452 3.642 40 0 FHABMO c1c[nH]c(-c2cc(C[C@@H]3CCC[N@@H+](Cc4ccc5cc[nH]c5c4)C3)ncn2)n1 ZINC000585182531 571238190 /nfs/dbraw/zinc/23/81/90/571238190.db2.gz FJYXYLDXQSVDRH-INIZCTEOSA-N 1 1 372.476 3.803 40 0 FHABMO CCCn1ncc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)c1C ZINC000247853072 571290877 /nfs/dbraw/zinc/29/08/77/571290877.db2.gz WQBSKAJHYXKTIA-BULFRSBZSA-N 1 1 371.500 3.860 40 0 FHABMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@H]3C2)cc1 ZINC000247877557 571290919 /nfs/dbraw/zinc/29/09/19/571290919.db2.gz HPMXDWWNRHTGIO-HARLFGEKSA-N 1 1 367.489 3.824 40 0 FHABMO COc1cccc(C[N@H+]2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@H]3C2)c1 ZINC000248186526 571291303 /nfs/dbraw/zinc/29/13/03/571291303.db2.gz HYMIIRVRJSDLIF-HARLFGEKSA-N 1 1 367.489 3.824 40 0 FHABMO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@@H+]2Cc1cccc(F)c1F ZINC000019712596 571304592 /nfs/dbraw/zinc/30/45/92/571304592.db2.gz XBNOEHWWQUCIAS-KPLVRAHFSA-N 1 1 370.443 3.992 40 0 FHABMO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccccc3Cl)n[nH]2)cc1OC ZINC000095534282 571331388 /nfs/dbraw/zinc/33/13/88/571331388.db2.gz VLTVLORIWHGYQE-INIZCTEOSA-N 1 1 358.829 3.581 40 0 FHABMO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3Cl)n[nH]2)cc1OCC ZINC000095534569 571331402 /nfs/dbraw/zinc/33/14/02/571331402.db2.gz UJFYCESXXJTHKV-QGZVFWFLSA-N 1 1 372.856 3.971 40 0 FHABMO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000257254355 223038244 /nfs/dbraw/zinc/03/82/44/223038244.db2.gz KCRUKJSUGXUECT-MRXNPFEDSA-N 1 1 351.429 3.694 40 0 FHABMO C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCC[N@@H+](Cc2cnccn2)C1 ZINC000257288905 223052625 /nfs/dbraw/zinc/05/26/25/223052625.db2.gz PWDYDRDACASADI-OAQYLSRUSA-N 1 1 366.440 3.748 40 0 FHABMO Cc1ncsc1C[N@@H+]1CCN(C)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257316683 223063685 /nfs/dbraw/zinc/06/36/85/223063685.db2.gz VGNYXBRLOJJHIJ-QGZVFWFLSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1ncsc1CN1CC[N@@H+](C)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257316683 223063686 /nfs/dbraw/zinc/06/36/86/223063686.db2.gz VGNYXBRLOJJHIJ-QGZVFWFLSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1ncsc1CN1CC[N@H+](C)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257316683 223063688 /nfs/dbraw/zinc/06/36/88/223063688.db2.gz VGNYXBRLOJJHIJ-QGZVFWFLSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccccc3OCc3ccccn3)C2)n1 ZINC000257327207 223067265 /nfs/dbraw/zinc/06/72/65/223067265.db2.gz XALYNQPNANNIGQ-IBGZPJMESA-N 1 1 360.461 3.749 40 0 FHABMO COc1ccc(-c2cnc3n2C[C@H]2C[N@H+](Cc4cccs4)C[C@H]2C3)cc1 ZINC000306135169 223109441 /nfs/dbraw/zinc/10/94/41/223109441.db2.gz OJSVPQZBCAVOEE-IAGOWNOFSA-N 1 1 365.502 3.925 40 0 FHABMO c1cc(C[N@H+]2CC[C@]3(CN(Cc4ccccn4)c4cccnc43)C2)cs1 ZINC000306132372 223109517 /nfs/dbraw/zinc/10/95/17/223109517.db2.gz LGUWBIIHCZYVNQ-OAQYLSRUSA-N 1 1 362.502 3.702 40 0 FHABMO Fc1ccc(C[N@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306132421 223109658 /nfs/dbraw/zinc/10/96/58/223109658.db2.gz LIDAXTKCRXMPSD-IBGZPJMESA-N 1 1 373.435 3.920 40 0 FHABMO Fc1ccc(F)c(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)c1 ZINC000012668492 220017179 /nfs/dbraw/zinc/01/71/79/220017179.db2.gz MQTBUSRPTSZPJF-UHFFFAOYSA-N 1 1 356.376 3.789 40 0 FHABMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)Cc2cccnc2)cc1CO ZINC000013569157 220075321 /nfs/dbraw/zinc/07/53/21/220075321.db2.gz CZYJRPXUPDTFGO-UHFFFAOYSA-N 1 1 366.436 3.924 40 0 FHABMO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)Cc2cccnc2)cc1CO ZINC000013569157 220075323 /nfs/dbraw/zinc/07/53/23/220075323.db2.gz CZYJRPXUPDTFGO-UHFFFAOYSA-N 1 1 366.436 3.924 40 0 FHABMO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3CC3CCCCC3)n2)cc1F ZINC000015674304 220158873 /nfs/dbraw/zinc/15/88/73/220158873.db2.gz NEWHUAQVOMGPMG-AEFFLSMTSA-N 1 1 359.445 3.872 40 0 biogenic,in-vitro FHABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019081997 220236169 /nfs/dbraw/zinc/23/61/69/220236169.db2.gz CTSCWYPRJHWGPV-AZUAARDMSA-N 1 1 366.509 3.592 40 0 FHABMO Cc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1C ZINC000019213988 220239040 /nfs/dbraw/zinc/23/90/40/220239040.db2.gz XSSUOCDDCMSFKV-OAQYLSRUSA-N 1 1 350.510 3.809 40 0 FHABMO Cc1cnc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(C(C)C)cc4)C3)o2)cn1 ZINC000019239177 220243323 /nfs/dbraw/zinc/24/33/23/220243323.db2.gz AWTSEQYHNYKIBH-SFHVURJKSA-N 1 1 363.465 3.948 40 0 FHABMO Fc1cccc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)c1F ZINC000019292720 220246717 /nfs/dbraw/zinc/24/67/17/220246717.db2.gz RTKMUAXQKPYOFU-UHFFFAOYSA-N 1 1 356.376 3.789 40 0 FHABMO Fc1ccc(F)c(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)c1 ZINC000019293042 220247137 /nfs/dbraw/zinc/24/71/37/220247137.db2.gz HRJBEBLMWBMZMY-UHFFFAOYSA-N 1 1 356.376 3.789 40 0 FHABMO O=c1cc([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)nc(-c2cccnc2)[nH]1 ZINC000019340874 220250786 /nfs/dbraw/zinc/25/07/86/220250786.db2.gz ZXJLUBMIHQYAGN-LJQANCHMSA-N 1 1 364.424 3.698 40 0 FHABMO O=c1cc([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)nc(-c2cccnc2)[nH]1 ZINC000019340874 220250790 /nfs/dbraw/zinc/25/07/90/220250790.db2.gz ZXJLUBMIHQYAGN-LJQANCHMSA-N 1 1 364.424 3.698 40 0 FHABMO O=C1CCCC[C@]2(C[N@H+](Cc3ccccc3)C[C@H]2c2cc(F)cc(F)c2)N1 ZINC000019372612 220252681 /nfs/dbraw/zinc/25/26/81/220252681.db2.gz JZARVLNPGAMFLV-RBBKRZOGSA-N 1 1 370.443 3.993 40 0 FHABMO CCc1[nH+]ccn1C[C@H](C)C(=O)Nc1ccc2c(c1)nc(C(C)C)n2C ZINC000019523596 220265785 /nfs/dbraw/zinc/26/57/85/220265785.db2.gz WIUCKFQIWWKACU-AWEZNQCLSA-N 1 1 353.470 3.730 40 0 FHABMO C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccccc1Cl)C2 ZINC000019589032 220279331 /nfs/dbraw/zinc/27/93/31/220279331.db2.gz FXPOWPBNRXVEFZ-LJQANCHMSA-N 1 1 356.901 3.845 40 0 FHABMO C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccccc1Cl)C2 ZINC000019589032 220279334 /nfs/dbraw/zinc/27/93/34/220279334.db2.gz FXPOWPBNRXVEFZ-LJQANCHMSA-N 1 1 356.901 3.845 40 0 FHABMO COC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000022530953 220389670 /nfs/dbraw/zinc/38/96/70/220389670.db2.gz JKSKLVBIWDLNAF-INIZCTEOSA-N 1 1 366.461 3.957 40 0 FHABMO Cc1cc(N2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)nc(C)[nH+]1 ZINC000257307653 132296764 /nfs/dbraw/zinc/29/67/64/132296764.db2.gz SZRLRGZURPNKDA-HXUWFJFHSA-N 1 1 364.424 3.872 40 0 FHABMO CC(C)c1cc(N2Cc3ccccc3C[C@@H]2C)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328970733 132372049 /nfs/dbraw/zinc/37/20/49/132372049.db2.gz DLVCRZRDGDHSNK-JXFKEZNVSA-N 1 1 368.525 3.980 40 0 FHABMO CC(C)c1cc(N2CCc3ccccc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329020334 132372597 /nfs/dbraw/zinc/37/25/97/132372597.db2.gz OAZQPYGBJSSQSM-LJQANCHMSA-N 1 1 354.498 3.592 40 0 FHABMO Cc1nc2ccc(CC[NH+]3CCN(c4ccccc4Cl)CC3)cc2[nH]1 ZINC000001678353 132382331 /nfs/dbraw/zinc/38/23/31/132382331.db2.gz KNLJAZCXOSPAHW-UHFFFAOYSA-N 1 1 354.885 3.889 40 0 FHABMO CC(C)n1c(C(=O)N2CC[NH+](C(C)C)CC2)cc2c1c1ccccc1n2C ZINC000096037281 221994331 /nfs/dbraw/zinc/99/43/31/221994331.db2.gz MBGIAFNEPVWCCY-UHFFFAOYSA-N 1 1 366.509 3.880 40 0 FHABMO Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2ccccc2)CCO3)s1 ZINC000096048952 222000185 /nfs/dbraw/zinc/00/01/85/222000185.db2.gz OJFPOTPCAVGNTJ-UHFFFAOYSA-N 1 1 356.535 3.924 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)cc1 ZINC000096050871 222001451 /nfs/dbraw/zinc/00/14/51/222001451.db2.gz NPRNLZINQNNDCV-FQEVSTJZSA-N 1 1 356.491 3.694 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)s1 ZINC000096056434 222005050 /nfs/dbraw/zinc/00/50/50/222005050.db2.gz YUYLUMOJRIHOFA-MISYRCLQSA-N 1 1 358.507 3.790 40 0 FHABMO CC(C)C[N@H+]1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000096242534 222096656 /nfs/dbraw/zinc/09/66/56/222096656.db2.gz AFURKHQSHNYZRU-UHFFFAOYSA-N 1 1 352.478 3.925 40 0 FHABMO c1csc(CN2CCC3(C[C@H]([NH2+][C@@H]4CCOC4)c4ccccc43)CC2)n1 ZINC000096241487 222097026 /nfs/dbraw/zinc/09/70/26/222097026.db2.gz YZYFEDWDMSHYBV-APWZRJJASA-N 1 1 369.534 3.500 40 0 FHABMO Cc1ccccc1C(=O)N1CCc2c(C[NH+]3CCCC3)nn(C(C)C)c2C1 ZINC000096255939 222101193 /nfs/dbraw/zinc/10/11/93/222101193.db2.gz NDPFZTZRGZIKNA-UHFFFAOYSA-N 1 1 366.509 3.567 40 0 FHABMO Cc1nc(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cs1 ZINC000096255276 222102446 /nfs/dbraw/zinc/10/24/46/222102446.db2.gz LKMWWNBUKKUJAA-UHFFFAOYSA-N 1 1 354.454 3.648 40 0 FHABMO Cc1nc(C[N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cs1 ZINC000096255276 222102447 /nfs/dbraw/zinc/10/24/47/222102447.db2.gz LKMWWNBUKKUJAA-UHFFFAOYSA-N 1 1 354.454 3.648 40 0 FHABMO CCOC[C@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)[N@H+]1CC1CC1 ZINC000096207498 222077134 /nfs/dbraw/zinc/07/71/34/222077134.db2.gz JDYNFKAPEIPBCC-HXUWFJFHSA-N 1 1 356.510 3.572 40 0 FHABMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)NC4CCCCC4)C3)C2)n1 ZINC000096216264 222082146 /nfs/dbraw/zinc/08/21/46/222082146.db2.gz GNYBGWLTWHWNRK-QFIPXVFZSA-N 1 1 370.541 3.720 40 0 FHABMO Cc1ccsc1C[N@@H+]1CC[C@H](c2nc(C)cc(-c3nccn3C)n2)C1 ZINC000257345024 534472649 /nfs/dbraw/zinc/47/26/49/534472649.db2.gz ZZQAMZOJVNRROD-HNNXBMFYSA-N 1 1 353.495 3.545 40 0 FHABMO Fc1cccnc1C[N@@H+]1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257326150 534534655 /nfs/dbraw/zinc/53/46/55/534534655.db2.gz WWAOUVDFKRDEPO-SFTDATJTSA-N 1 1 356.441 3.561 40 0 FHABMO Fc1cccnc1C[N@H+]1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257326150 534534663 /nfs/dbraw/zinc/53/46/63/534534663.db2.gz WWAOUVDFKRDEPO-SFTDATJTSA-N 1 1 356.441 3.561 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSCc2ccc(F)cc2)cc1 ZINC000020045568 527370794 /nfs/dbraw/zinc/37/07/94/527370794.db2.gz LXOMCSXELFAWIZ-UHFFFAOYSA-N 1 1 369.465 3.869 40 0 FHABMO CC1(C)CC2(CO1)CC[NH+](CC(=O)Nc1ccc(C(F)(F)F)cc1)CC2 ZINC000257272892 528891043 /nfs/dbraw/zinc/89/10/43/528891043.db2.gz NEGILKLGWCHJPP-UHFFFAOYSA-N 1 1 370.415 3.925 40 0 FHABMO CCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C)n1 ZINC000329022243 535522329 /nfs/dbraw/zinc/52/23/29/535522329.db2.gz OMOPVPXFXXCBNA-UHFFFAOYSA-N 1 1 352.360 3.678 40 0 FHABMO COc1cc(C[N@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc(OC)c1OC ZINC000035446533 560079541 /nfs/dbraw/zinc/07/95/41/560079541.db2.gz DXDBPZCSNDHKMP-HNNXBMFYSA-N 1 1 368.433 3.843 40 0 biogenic,in-vitro FHABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1ccc(OC)c(OC)c1 ZINC000022931741 568314524 /nfs/dbraw/zinc/31/45/24/568314524.db2.gz KQTSRJVYGXTYMX-FQEVSTJZSA-N 1 1 369.509 3.585 40 0 FHABMO COc1ccc(C[N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)cc1 ZINC000096046656 570473038 /nfs/dbraw/zinc/47/30/38/570473038.db2.gz VTRYDKAQYWJUGW-UHFFFAOYSA-N 1 1 370.518 3.885 40 0 FHABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccccn3)CC2)N1Cc1cccc(F)c1 ZINC000096047556 570473899 /nfs/dbraw/zinc/47/38/99/570473899.db2.gz ZUOJPDCCVWNXPH-JOCHJYFZSA-N 1 1 367.468 3.768 40 0 FHABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)CC2)s1 ZINC000096047537 570473930 /nfs/dbraw/zinc/47/39/30/570473930.db2.gz YXAAGUPRVYGFPN-NRFANRHFSA-N 1 1 369.534 3.999 40 0 FHABMO CNc1cc(C)c([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072219079 570534269 /nfs/dbraw/zinc/53/42/69/570534269.db2.gz CLOMZIACGATONB-SFHVURJKSA-N 1 1 359.495 3.656 40 0 FHABMO Cc1cc(N2CCOCC2)ncc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072219427 570534854 /nfs/dbraw/zinc/53/48/54/570534854.db2.gz PWFHRXNKDUNQHX-OAQYLSRUSA-N 1 1 351.494 3.954 40 0 FHABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000072227960 570535825 /nfs/dbraw/zinc/53/58/25/570535825.db2.gz NEAYWWIENOCPQR-ZIAGYGMSSA-N 1 1 351.631 3.518 40 0 FHABMO [NH3+][C@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1Cl ZINC000072227304 570535849 /nfs/dbraw/zinc/53/58/49/570535849.db2.gz AULXWCWDQOFAMG-ZIAGYGMSSA-N 1 1 351.631 3.518 40 0 FHABMO [NH3+][C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1cccc(Cl)c1 ZINC000072227307 570535881 /nfs/dbraw/zinc/53/58/81/570535881.db2.gz GPKMRNYMPWWSLH-KBPBESRZSA-N 1 1 351.631 3.518 40 0 FHABMO COc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4cccc(OC)c4)no3)C2)c1 ZINC000072369871 570546814 /nfs/dbraw/zinc/54/68/14/570546814.db2.gz XYCBSQIVDBWDEL-KRWDZBQOSA-N 1 1 365.433 3.743 40 0 FHABMO C[NH+]1CCN(C(=S)c2ccccc2OCc2ccccc2Cl)CC1 ZINC000408571195 570557041 /nfs/dbraw/zinc/55/70/41/570557041.db2.gz AACRMOTYOKCZCL-UHFFFAOYSA-N 1 1 360.910 3.842 40 0 FHABMO CCOC(=O)C[C@H]1C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C[C@H]1CC ZINC000005410484 570626340 /nfs/dbraw/zinc/62/63/40/570626340.db2.gz YHIDMIJOSAPVSE-KYJSFNMBSA-N 1 1 361.482 3.602 40 0 FHABMO CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000012087220 570717123 /nfs/dbraw/zinc/71/71/23/570717123.db2.gz BGNWHPCHPXZNQU-QHCPKHFHSA-N 1 1 364.489 3.771 40 0 FHABMO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000012089308 570718003 /nfs/dbraw/zinc/71/80/03/570718003.db2.gz OTNCQPUYGFHQJG-SFHVURJKSA-N 1 1 359.429 3.980 40 0 FHABMO Cc1ccc(C[N@@H+](Cc2c[nH]nc2-c2ccc(O)cc2)C[C@H]2CCCO2)o1 ZINC000012143721 570722323 /nfs/dbraw/zinc/72/23/23/570722323.db2.gz DMFLKKRYYKCOHH-LJQANCHMSA-N 1 1 367.449 3.865 40 0 FHABMO Cc1ccc(C[N@H+](Cc2c[nH]nc2-c2ccc(O)cc2)C[C@H]2CCCO2)o1 ZINC000012143721 570722325 /nfs/dbraw/zinc/72/23/25/570722325.db2.gz DMFLKKRYYKCOHH-LJQANCHMSA-N 1 1 367.449 3.865 40 0 FHABMO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+](Cc4ccc(C)cc4)[C@H]3C2)cc1 ZINC000012188387 570725366 /nfs/dbraw/zinc/72/53/66/570725366.db2.gz NCBMHRLMQRAVGG-IRLDBZIGSA-N 1 1 364.489 3.740 40 0 FHABMO CCCn1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)c1C ZINC000012242238 570730842 /nfs/dbraw/zinc/73/08/42/570730842.db2.gz GTRXGQLSHLSBRV-HTZLVSCSSA-N 1 1 357.473 3.755 40 0 FHABMO CCCc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 ZINC000012242175 570730983 /nfs/dbraw/zinc/73/09/83/570730983.db2.gz NWPBPVSPDJBKJZ-PMSBKCLSSA-N 1 1 355.457 3.583 40 0 FHABMO CC(=O)N1Cc2ccccc2O[C@@]2(CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000012365381 570739148 /nfs/dbraw/zinc/73/91/48/570739148.db2.gz HQJVSZRXLCSHRS-HSZRJFAPSA-N 1 1 364.489 3.505 40 0 FHABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000096058462 570871767 /nfs/dbraw/zinc/87/17/67/570871767.db2.gz OODGUKZXVGZWRP-VXKWHMMOSA-N 1 1 352.453 3.590 40 0 FHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOCc3ccccc3)cc2)C1 ZINC000224334017 570985242 /nfs/dbraw/zinc/98/52/42/570985242.db2.gz YEIVDJANXKQOOT-IBGZPJMESA-N 1 1 366.505 3.865 40 0 FHABMO CCOc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1C ZINC000224962417 571007314 /nfs/dbraw/zinc/00/73/14/571007314.db2.gz XQPIGXGVWUEMCE-UHFFFAOYSA-N 1 1 352.478 3.572 40 0 FHABMO COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000225017131 571010530 /nfs/dbraw/zinc/01/05/30/571010530.db2.gz QZMXYQXOUUUCTL-FUHWJXTLSA-N 1 1 370.468 3.924 40 0 FHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1 ZINC000225300974 571026851 /nfs/dbraw/zinc/02/68/51/571026851.db2.gz VGIVNZOORKLXQM-UHFFFAOYSA-N 1 1 373.507 3.844 40 0 FHABMO CCc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000030849391 571050878 /nfs/dbraw/zinc/05/08/78/571050878.db2.gz SRBAWUSWSMKJCB-INIZCTEOSA-N 1 1 363.461 3.827 40 0 FHABMO CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000030864962 571051933 /nfs/dbraw/zinc/05/19/33/571051933.db2.gz ARYULNKPUHNFIY-HXUWFJFHSA-N 1 1 372.896 3.842 40 0 FHABMO CO[C@](C)(C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225643825 571052338 /nfs/dbraw/zinc/05/23/38/571052338.db2.gz AMILESRALIBYPF-IERDGZPVSA-N 1 1 360.498 3.551 40 0 FHABMO C[NH+]1CCN(C(=S)N(C(=O)c2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000031852190 571055948 /nfs/dbraw/zinc/05/59/48/571055948.db2.gz PCOLAADUXHPBDI-UHFFFAOYSA-N 1 1 373.909 3.519 40 0 FHABMO C[C@H](C[NH+]1CCOCC1)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000031938044 571056039 /nfs/dbraw/zinc/05/60/39/571056039.db2.gz OKFYKMOGOWTGMW-DYESRHJHSA-N 1 1 359.897 3.739 40 0 FHABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(Br)cc2)C1 ZINC000225735653 571060732 /nfs/dbraw/zinc/06/07/32/571060732.db2.gz UPXLUBHQGJAPOU-ZDUSSCGKSA-N 1 1 370.360 3.858 40 0 FHABMO CCN(C(C)=O)[C@@H]1C[N@@H+](Cc2c(C)nc3sccn23)C2(C1)CCCCC2 ZINC000019703844 571062486 /nfs/dbraw/zinc/06/24/86/571062486.db2.gz LIOWEEWWQGYKFT-KRWDZBQOSA-N 1 1 374.554 3.850 40 0 FHABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cccc(C)n1 ZINC000036740331 571081580 /nfs/dbraw/zinc/08/15/80/571081580.db2.gz QCYJCGWFCNYFPC-UHFFFAOYSA-N 1 1 350.466 3.688 40 0 FHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1 ZINC000044852678 571103142 /nfs/dbraw/zinc/10/31/42/571103142.db2.gz BQTXWQYYBQRDIU-QGZVFWFLSA-N 1 1 363.461 3.746 40 0 FHABMO C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000260808153 571123562 /nfs/dbraw/zinc/12/35/62/571123562.db2.gz GCDMCKIQVSPBQN-ROUUACIJSA-N 1 1 358.526 3.571 40 0 FHABMO Fc1cccnc1O[C@H]1CCOC2(C[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC000247512761 571125590 /nfs/dbraw/zinc/12/55/90/571125590.db2.gz IUKJTIBADQFKKL-INIZCTEOSA-N 1 1 367.424 3.514 40 0 FHABMO Cc1ccsc1C[NH+]1CC2(C1)OCC[C@H]2COCc1csc(C)n1 ZINC000248015615 571126966 /nfs/dbraw/zinc/12/69/66/571126966.db2.gz HIDOPNYFYURVPL-HNNXBMFYSA-N 1 1 364.536 3.629 40 0 FHABMO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC000072345883 571179798 /nfs/dbraw/zinc/17/97/98/571179798.db2.gz UTLFRDUQTJDYNQ-INIZCTEOSA-N 1 1 352.482 3.856 40 0 FHABMO COc1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)n2)c1 ZINC000072349958 571181497 /nfs/dbraw/zinc/18/14/97/571181497.db2.gz FHBJVQAIHBSFNA-IBGZPJMESA-N 1 1 362.477 3.870 40 0 FHABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000072352431 571182058 /nfs/dbraw/zinc/18/20/58/571182058.db2.gz WNXACOQANJXMTK-CQSZACIVSA-N 1 1 366.490 3.662 40 0 FHABMO c1cnc(Nc2nccc([C@H]3CCC[N@H+](CC4CCCCC4)C3)n2)cn1 ZINC000072377849 571187030 /nfs/dbraw/zinc/18/70/30/571187030.db2.gz MGMGUIHCZMYSPE-KRWDZBQOSA-N 1 1 352.486 3.770 40 0 FHABMO CCc1nccn1-c1cncc([C@H]2CCC[N@H+]2Cc2ccc(OC)cc2)n1 ZINC000072378690 571187244 /nfs/dbraw/zinc/18/72/44/571187244.db2.gz MIQRYWJIZQTPTN-LJQANCHMSA-N 1 1 363.465 3.570 40 0 FHABMO COc1ccc(Oc2cncc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000072384262 571188932 /nfs/dbraw/zinc/18/89/32/571188932.db2.gz WQKWIYJZKXCBRU-IBGZPJMESA-N 1 1 355.438 3.593 40 0 FHABMO COc1ccc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](c3cc[nH]n3)C2)cc1 ZINC000072395161 571190251 /nfs/dbraw/zinc/19/02/51/571190251.db2.gz YLBOGSISSWJPPC-LEWJYISDSA-N 1 1 363.461 3.810 40 0 FHABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)s1 ZINC000072393099 571190442 /nfs/dbraw/zinc/19/04/42/571190442.db2.gz WEROTYDXHSECIQ-MRXNPFEDSA-N 1 1 366.490 3.581 40 0 FHABMO COc1ccc2c(c1)c([C@@H]1C[N@@H+](Cc3cccs3)C[C@H]1N(C)C)cn2C ZINC000072395531 571190749 /nfs/dbraw/zinc/19/07/49/571190749.db2.gz IIOYJJDGUATNSX-PZJWPPBQSA-N 1 1 369.534 3.778 40 0 FHABMO COc1ccc2c(c1)c([C@@H]1CN(Cc3cccs3)C[C@H]1[NH+](C)C)cn2C ZINC000072395531 571190751 /nfs/dbraw/zinc/19/07/51/571190751.db2.gz IIOYJJDGUATNSX-PZJWPPBQSA-N 1 1 369.534 3.778 40 0 FHABMO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000072395788 571190811 /nfs/dbraw/zinc/19/08/11/571190811.db2.gz CCWNOGYVXNWTQL-KSFYIVLOSA-N 1 1 352.453 3.577 40 0 FHABMO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](C(C)C)C1 ZINC000072395937 571190904 /nfs/dbraw/zinc/19/09/04/571190904.db2.gz QMNJPKAERDBZSS-OAQYLSRUSA-N 1 1 355.482 3.511 40 0 FHABMO CC(C)n1cc(C[N@H+]2Cc3cccn3C[C@@H](CCOCC3CC3)C2)cn1 ZINC000585095317 571220094 /nfs/dbraw/zinc/22/00/94/571220094.db2.gz PMGHUFCRORUSAD-IBGZPJMESA-N 1 1 356.514 3.714 40 0 FHABMO CC(C)n1cc(C[N@@H+]2Cc3cccn3C[C@@H](CCOCC3CC3)C2)cn1 ZINC000585095317 571220097 /nfs/dbraw/zinc/22/00/97/571220097.db2.gz PMGHUFCRORUSAD-IBGZPJMESA-N 1 1 356.514 3.714 40 0 FHABMO COc1ccc(C[N@H+]2CCC[C@@]3(CCCN3C(=O)c3ccoc3)CC2)cc1 ZINC000585099980 571221773 /nfs/dbraw/zinc/22/17/73/571221773.db2.gz BWAULUFHEDOSFA-JOCHJYFZSA-N 1 1 368.477 3.949 40 0 FHABMO C[C@H]1C[C@H](C)CN(C(=O)c2nc3c(o2)CC[N@H+](CC2CCCCC2)C3)C1 ZINC000585112726 571226370 /nfs/dbraw/zinc/22/63/70/571226370.db2.gz UMNZHQDPLBNDIR-HOTGVXAUSA-N 1 1 359.514 3.731 40 0 FHABMO C[C@H]1C[C@H](C)CN(C(=O)c2nc3c(o2)CC[N@@H+](CC2CCCCC2)C3)C1 ZINC000585112726 571226372 /nfs/dbraw/zinc/22/63/72/571226372.db2.gz UMNZHQDPLBNDIR-HOTGVXAUSA-N 1 1 359.514 3.731 40 0 FHABMO C[N@@H+](CC1=CCCCC1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000257240978 529859071 /nfs/dbraw/zinc/85/90/71/529859071.db2.gz HWAVRFZNNJMNFI-UHFFFAOYSA-N 1 1 354.494 3.922 40 0 FHABMO NC(=O)O[C@@H]1CC[N@@H+](CCCC(=O)c2ccc(F)cc2)[C@H]2CCCC[C@H]12 ZINC000004212454 219554554 /nfs/dbraw/zinc/55/45/54/219554554.db2.gz RVPQELWEPXXXPC-JENIJYKNSA-N 1 1 362.445 3.517 40 0 in-man FHABMO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000257252442 223038828 /nfs/dbraw/zinc/03/88/28/223038828.db2.gz JUTYSRSENCJAKD-OAHLLOKOSA-N 1 1 366.494 3.760 40 0 FHABMO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@@H+](CC3CCOCC3)C2)n1 ZINC000257291060 223052988 /nfs/dbraw/zinc/05/29/88/223052988.db2.gz QFLALJLXQOLARE-GOSISDBHSA-N 1 1 367.497 3.530 40 0 FHABMO c1ccc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)nc1 ZINC000306123767 223105528 /nfs/dbraw/zinc/10/55/28/223105528.db2.gz AWCTZOZQLCDNJN-IBGZPJMESA-N 1 1 370.460 3.566 40 0 FHABMO COc1ccc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4cccc(C)n4)C[C@H]2C3)cc1 ZINC000306144880 223114614 /nfs/dbraw/zinc/11/46/14/223114614.db2.gz ZRJCNLGZPILAHR-MOPGFXCFSA-N 1 1 374.488 3.566 40 0 FHABMO COc1c2c(cc3c1[C@H](CC(=O)c1ccc(C)c(C)c1)[N@H+](C)CC3)OCO2 ZINC000016779488 220193633 /nfs/dbraw/zinc/19/36/33/220193633.db2.gz BOVQJDQQMDEMGJ-KRWDZBQOSA-N 1 1 367.445 3.843 40 0 FHABMO COc1c2c(cc3c1[C@H](CC(=O)c1ccc(C)c(C)c1)[N@@H+](C)CC3)OCO2 ZINC000016779488 220193637 /nfs/dbraw/zinc/19/36/37/220193637.db2.gz BOVQJDQQMDEMGJ-KRWDZBQOSA-N 1 1 367.445 3.843 40 0 FHABMO CC(C)(C)c1[nH]c2ncccc2c1C[N@H+]1CCC[C@@H](CN2CCCC2=O)C1 ZINC000019083450 220235351 /nfs/dbraw/zinc/23/53/51/220235351.db2.gz ONOAONLLJCRSNA-MRXNPFEDSA-N 1 1 368.525 3.695 40 0 FHABMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3F)C[C@]23CCCCC(=O)N3)n1 ZINC000019236389 220243231 /nfs/dbraw/zinc/24/32/31/220243231.db2.gz ZUHKBUMBPPMLHJ-PGRDOPGGSA-N 1 1 367.468 3.558 40 0 FHABMO Cc1ccsc1C[N@H+]1CCC[C@@H](Cn2nnc(-c3cccs3)n2)C1 ZINC000019238649 220243545 /nfs/dbraw/zinc/24/35/45/220243545.db2.gz OAKBADSUACVOCD-CQSZACIVSA-N 1 1 359.524 3.684 40 0 FHABMO Cc1cccc(C[N@H+]2CCC[C@@H](n3c4cc(Cl)ccc4oc3=O)C2)n1 ZINC000019236235 220244005 /nfs/dbraw/zinc/24/40/05/220244005.db2.gz JPVBSFKFQCBBCH-MRXNPFEDSA-N 1 1 357.841 3.788 40 0 FHABMO Cc1[nH+]ccn1CCCC(=O)N[C@@H](Cc1ccsc1)c1nccs1 ZINC000019288111 220245444 /nfs/dbraw/zinc/24/54/44/220245444.db2.gz NTIDZUDBTIOQAI-HNNXBMFYSA-N 1 1 360.508 3.590 40 0 FHABMO O=c1cc([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)nc(-c2cccnc2)[nH]1 ZINC000019340870 220250756 /nfs/dbraw/zinc/25/07/56/220250756.db2.gz ZXJLUBMIHQYAGN-IBGZPJMESA-N 1 1 364.424 3.698 40 0 FHABMO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)nc(-c2cccnc2)[nH]1 ZINC000019340870 220250759 /nfs/dbraw/zinc/25/07/59/220250759.db2.gz ZXJLUBMIHQYAGN-IBGZPJMESA-N 1 1 364.424 3.698 40 0 FHABMO C[C@@H]1Cc2cc([C@H](O)C[N@@H+](C)Cc3ccccc3)ccc2N1C(=O)C1CC1 ZINC000019497834 220264253 /nfs/dbraw/zinc/26/42/53/220264253.db2.gz DJGIJPOUZSNHIL-OPAMFIHVSA-N 1 1 364.489 3.540 40 0 FHABMO CCc1[nH+]ccn1CCC(=O)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 ZINC000019523653 220266524 /nfs/dbraw/zinc/26/65/24/220266524.db2.gz IWQBXYMQKMVSRD-UDKICSLYSA-N 1 1 351.494 3.924 40 0 FHABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019523531 220266853 /nfs/dbraw/zinc/26/68/53/220266853.db2.gz SSWSSPYAVRPXER-SJORKVTESA-N 1 1 373.472 3.538 40 0 FHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1cnc(SC)nc1 ZINC000019527207 220269210 /nfs/dbraw/zinc/26/92/10/220269210.db2.gz MGPSTFITFIPPPK-MRXNPFEDSA-N 1 1 362.568 3.747 40 0 FHABMO CC[N@H+]1CCC[C@H]1CN(Cc1c(C)nc2sccn12)Cc1ccccn1 ZINC000019527148 220269283 /nfs/dbraw/zinc/26/92/83/220269283.db2.gz OVJLTTMCMMEUDM-SFHVURJKSA-N 1 1 369.538 3.586 40 0 FHABMO Cc1noc2nc([C@@H]3CCC[N@@H+](Cc4cnc(C)nc4)C3)cc(C(F)F)c12 ZINC000019564392 220274457 /nfs/dbraw/zinc/27/44/57/220274457.db2.gz IUHAGCYXAORIGR-CQSZACIVSA-N 1 1 373.407 3.947 40 0 FHABMO Cc1nn([C@@H](C)CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c(C)c1Cl ZINC000019577541 220275763 /nfs/dbraw/zinc/27/57/63/220275763.db2.gz UCWFHORWHZZXIU-KBXCAEBGSA-N 1 1 374.916 3.620 40 0 FHABMO Cc1nn([C@@H](C)CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(C)c1Cl ZINC000019577541 220275767 /nfs/dbraw/zinc/27/57/67/220275767.db2.gz UCWFHORWHZZXIU-KBXCAEBGSA-N 1 1 374.916 3.620 40 0 FHABMO Cc1nn([C@H](C)CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c(C)c1Cl ZINC000019577542 220276568 /nfs/dbraw/zinc/27/65/68/220276568.db2.gz UCWFHORWHZZXIU-RDTXWAMCSA-N 1 1 374.916 3.620 40 0 FHABMO Cc1nn([C@H](C)CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(C)c1Cl ZINC000019577542 220276572 /nfs/dbraw/zinc/27/65/72/220276572.db2.gz UCWFHORWHZZXIU-RDTXWAMCSA-N 1 1 374.916 3.620 40 0 FHABMO COCCOc1ccc(C[N@H+]2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1 ZINC000019593700 220278322 /nfs/dbraw/zinc/27/83/22/220278322.db2.gz IPAVJOFGQBODKJ-SFHVURJKSA-N 1 1 365.477 3.968 40 0 FHABMO CC[C@@H](C[NH+]1CCOCC1)n1cncc1-c1[nH]c2ccccc2c1Cl ZINC000019719314 220291766 /nfs/dbraw/zinc/29/17/66/220291766.db2.gz UFPICQXCNPHJLA-AWEZNQCLSA-N 1 1 358.873 3.968 40 0 FHABMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cnc(N3CCOCC3)s2)cc1 ZINC000019715685 220290610 /nfs/dbraw/zinc/29/06/10/220290610.db2.gz YECSPGFDSNKOID-IBGZPJMESA-N 1 1 373.522 3.716 40 0 FHABMO CC(C)CNC(=O)c1cc([C@@H]2CC[N@@H+](CC3CC3)C2)nc2ccccc21 ZINC000019761470 220294612 /nfs/dbraw/zinc/29/46/12/220294612.db2.gz SQPJHCTUMKTRAF-QGZVFWFLSA-N 1 1 351.494 3.820 40 0 FHABMO C/C=C/c1ccc(=O)n2c1[C@@H]1C[C@H](C2)C[N@H+](Cc2ccc(OC)cc2)C1 ZINC000020503468 220331773 /nfs/dbraw/zinc/33/17/73/220331773.db2.gz HCIWNEOXLAURBZ-HECAZONMSA-N 1 1 350.462 3.509 40 0 biogenic,in-vitro FHABMO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022521471 220389509 /nfs/dbraw/zinc/38/95/09/220389509.db2.gz VSDICTIBFXTJTM-FVJLSDCUSA-N 1 1 360.542 3.945 40 0 FHABMO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022521467 220389527 /nfs/dbraw/zinc/38/95/27/220389527.db2.gz VSDICTIBFXTJTM-LLGFUMIMSA-N 1 1 360.542 3.945 40 0 FHABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390026 221490745 /nfs/dbraw/zinc/49/07/45/221490745.db2.gz WUOVHUYHIUSPSR-MRXNPFEDSA-N 1 1 350.422 3.520 40 0 FHABMO COc1cccc(Cc2cnc([C@H]3CC[N@H+](Cc4cscn4)C3)o2)c1 ZINC000257297808 533550760 /nfs/dbraw/zinc/55/07/60/533550760.db2.gz RIWLMJAEIGPTEP-HNNXBMFYSA-N 1 1 355.463 3.720 40 0 FHABMO COc1cccc(Cc2cnc([C@H]3CC[N@@H+](Cc4cscn4)C3)o2)c1 ZINC000257297808 533550765 /nfs/dbraw/zinc/55/07/65/533550765.db2.gz RIWLMJAEIGPTEP-HNNXBMFYSA-N 1 1 355.463 3.720 40 0 FHABMO Cc1cccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC000096073281 132218150 /nfs/dbraw/zinc/21/81/50/132218150.db2.gz HEQBTKKOHXGJFS-HXUWFJFHSA-N 1 1 351.494 3.650 40 0 FHABMO CNc1cc(N2CCc3ccc(Br)cc3C2)[nH+]c(C(C)C)n1 ZINC000329068678 132373355 /nfs/dbraw/zinc/37/33/55/132373355.db2.gz YRZRALGORMTPPE-UHFFFAOYSA-N 1 1 361.287 3.967 40 0 FHABMO O=C(Nc1ccccc1)[C@H]1C[N@H+](Cc2ccc(F)cc2)CC12CCOCC2 ZINC000096052258 222003724 /nfs/dbraw/zinc/00/37/24/222003724.db2.gz FSKHDJIYPWPPMY-HXUWFJFHSA-N 1 1 368.452 3.693 40 0 FHABMO Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@@H+](Cc2ccoc2)C3)n1 ZINC000096065128 222010174 /nfs/dbraw/zinc/01/01/74/222010174.db2.gz KLVAJBFEZJYYIM-SFTDATJTSA-N 1 1 356.466 3.571 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)cc1 ZINC000096100331 222022783 /nfs/dbraw/zinc/02/27/83/222022783.db2.gz LDBSWOLVSXXEFB-QHCPKHFHSA-N 1 1 362.473 3.596 40 0 FHABMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)s1 ZINC000096239676 222096175 /nfs/dbraw/zinc/09/61/75/222096175.db2.gz FZSLZHLVQZUCNA-QGZVFWFLSA-N 1 1 364.465 3.584 40 0 FHABMO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)[C@H]2C1 ZINC000096244869 222098879 /nfs/dbraw/zinc/09/88/79/222098879.db2.gz LARNIUFPZLBEBH-FPOVZHCZSA-N 1 1 368.908 3.658 40 0 FHABMO CCOC[C@@H]1CCC2(CCN(C(=O)c3cc4ccccc4o3)CC2)[N@H+]1C ZINC000096207371 222076979 /nfs/dbraw/zinc/07/69/79/222076979.db2.gz SPXFAZONNNJCLV-KRWDZBQOSA-N 1 1 356.466 3.538 40 0 FHABMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)Nc4ccccc4)C3)C2)n1 ZINC000096216188 222081483 /nfs/dbraw/zinc/08/14/83/222081483.db2.gz RGENNEYTZHUQDU-QFIPXVFZSA-N 1 1 364.493 3.910 40 0 FHABMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)Nc4ccccc4)C3)C2)n1 ZINC000096216190 222081831 /nfs/dbraw/zinc/08/18/31/222081831.db2.gz RGENNEYTZHUQDU-JOCHJYFZSA-N 1 1 364.493 3.910 40 0 FHABMO Cc1cc(CC2CCN(C(=O)CCn3cc[nH+]c3C(C)C)CC2)ccn1 ZINC000257207430 534155262 /nfs/dbraw/zinc/15/52/62/534155262.db2.gz BHSBHEIMKJIJTP-UHFFFAOYSA-N 1 1 354.498 3.581 40 0 FHABMO Fc1cccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4cccs4)C2)OC3)c1 ZINC000306139123 534513061 /nfs/dbraw/zinc/51/30/61/534513061.db2.gz SPYAVASMRHWPFA-FQEVSTJZSA-N 1 1 369.465 3.926 40 0 FHABMO Fc1cccc(C[N@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306132515 534517629 /nfs/dbraw/zinc/51/76/29/534517629.db2.gz LLEYJPPMVHRGTQ-HSZRJFAPSA-N 1 1 374.463 3.780 40 0 FHABMO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020460262 522884337 /nfs/dbraw/zinc/88/43/37/522884337.db2.gz KOXNZHOWHBGVCW-FCEWJHQRSA-N 1 1 366.933 3.982 40 0 FHABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3cccs3)C[C@H]2N1Cc1ccccc1 ZINC000306126458 534853821 /nfs/dbraw/zinc/85/38/21/534853821.db2.gz DWKFGAQYSHQECN-VQTJNVASSA-N 1 1 363.486 3.631 40 0 FHABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3cccs3)C[C@@H]2N1Cc1ccccc1 ZINC000306126456 534854156 /nfs/dbraw/zinc/85/41/56/534854156.db2.gz DWKFGAQYSHQECN-PMACEKPBSA-N 1 1 363.486 3.631 40 0 FHABMO CCC[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000514289379 560032767 /nfs/dbraw/zinc/03/27/67/560032767.db2.gz JGKFRBIKAUIGPI-JAXLGGSGSA-N 1 1 370.468 3.532 40 0 biogenic,in-vitro FHABMO CCOc1ccccc1CN(Cc1cccnc1)C[C@@H]1CCC[N@H+]1CC ZINC000022931719 568314450 /nfs/dbraw/zinc/31/44/50/568314450.db2.gz XYDJCNBCBLODHK-NRFANRHFSA-N 1 1 353.510 3.967 40 0 FHABMO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC000096040225 570472948 /nfs/dbraw/zinc/47/29/48/570472948.db2.gz IMVTZFCPCLNRMK-VQTJNVASSA-N 1 1 358.507 3.731 40 0 FHABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccncc3)CC2)N1Cc1cccc(F)c1 ZINC000096047560 570473770 /nfs/dbraw/zinc/47/37/70/570473770.db2.gz XAWAHFMTHJRZMD-JOCHJYFZSA-N 1 1 367.468 3.768 40 0 FHABMO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@@H+](Cc3ccc(O)cc3)C2)c1 ZINC000585272990 570485905 /nfs/dbraw/zinc/48/59/05/570485905.db2.gz 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CCOc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000035311207 570642817 /nfs/dbraw/zinc/64/28/17/570642817.db2.gz IRSUDVIWFFIYRK-ZNXRZULTSA-N 1 1 359.539 3.920 40 0 FHABMO CC[C@@]12CCC[N@H+]3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 ZINC000008615769 570683902 /nfs/dbraw/zinc/68/39/02/570683902.db2.gz ARQOGCYMPUOVHK-ZDFPQIBNSA-N 1 1 354.494 3.726 40 0 FHABMO Cc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](Cc1ccsc1)c1nccs1 ZINC000012087881 570717749 /nfs/dbraw/zinc/71/77/49/570717749.db2.gz CLPMEVFGMCDBIQ-IUODEOHRSA-N 1 1 360.508 3.761 40 0 FHABMO COc1ccc(CN(Cc2ccco2)Cc2c[nH+]c(C)n2C)c(OC)c1 ZINC000012147058 570722594 /nfs/dbraw/zinc/72/25/94/570722594.db2.gz GYKIURXXSKWHLE-UHFFFAOYSA-N 1 1 355.438 3.541 40 0 FHABMO CCOc1ccc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)cc1OC ZINC000012144482 570722796 /nfs/dbraw/zinc/72/27/96/570722796.db2.gz RLEGUJGHIOCHFL-IBGZPJMESA-N 1 1 356.466 3.670 40 0 FHABMO CCOc1ccc(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)cc1OC ZINC000012144482 570722798 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COc1ccc(Cl)cc1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029837508 571044060 /nfs/dbraw/zinc/04/40/60/571044060.db2.gz HAIHRDODRXYKOT-UHFFFAOYSA-N 1 1 358.869 3.527 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1cc(C)ccc1C ZINC000030751372 571049122 /nfs/dbraw/zinc/04/91/22/571049122.db2.gz RMIYBWIDLXJPNU-QGZVFWFLSA-N 1 1 363.461 3.881 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)Oc1cc(C)ccc1C ZINC000030751376 571049132 /nfs/dbraw/zinc/04/91/32/571049132.db2.gz RMIYBWIDLXJPNU-KRWDZBQOSA-N 1 1 363.461 3.881 40 0 FHABMO COC1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)CCCC1 ZINC000225625983 571050744 /nfs/dbraw/zinc/05/07/44/571050744.db2.gz CTSZYFRDWITRSD-QGZVFWFLSA-N 1 1 360.498 3.695 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1ccc(Cl)cc1 ZINC000030863771 571051547 /nfs/dbraw/zinc/05/15/47/571051547.db2.gz CUQIQSFOBIWNFS-UHFFFAOYSA-N 1 1 355.825 3.529 40 0 FHABMO CC[C@H](Oc1ccccc1Cl)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030867627 571052001 /nfs/dbraw/zinc/05/20/01/571052001.db2.gz SABPNMJUZZHYGV-JZXOWHBKSA-N 1 1 366.933 3.982 40 0 FHABMO C[N@@H+](CCc1ccccc1)Cc1ccccc1I ZINC000031946982 571056451 /nfs/dbraw/zinc/05/64/51/571056451.db2.gz INMSLMBPUUXSSS-UHFFFAOYSA-N 1 1 351.231 3.966 40 0 FHABMO CC(C)CNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC000035289765 571075956 /nfs/dbraw/zinc/07/59/56/571075956.db2.gz FJYVVHJBMJBGOO-YQQQUEKLSA-N 1 1 363.546 3.831 40 0 FHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)COc1cccc2c1CCCC2 ZINC000225875025 571077243 /nfs/dbraw/zinc/07/72/43/571077243.db2.gz SVYJBZXBEDSVSS-LJQANCHMSA-N 1 1 358.526 3.715 40 0 FHABMO CCOC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038834619 571087033 /nfs/dbraw/zinc/08/70/33/571087033.db2.gz MNMBHPIYLAJTHN-UHFFFAOYSA-N 1 1 363.417 3.669 40 0 FHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCSc2ccccc2)cc1 ZINC000038836591 571087804 /nfs/dbraw/zinc/08/78/04/571087804.db2.gz VFBVNAVDKHVNCW-UHFFFAOYSA-N 1 1 351.475 3.762 40 0 FHABMO CCOCCCNC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038856822 571088415 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COC[C@H]1C[N@@H+](Cc2ccccn2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000247898030 571126195 /nfs/dbraw/zinc/12/61/95/571126195.db2.gz VGJPISYSDZRTCU-LJQANCHMSA-N 1 1 371.550 3.504 40 0 FHABMO COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000247879629 571126322 /nfs/dbraw/zinc/12/63/22/571126322.db2.gz PRUAQKGROQNVMU-LJQANCHMSA-N 1 1 372.484 3.779 40 0 FHABMO Cc1ccsc1C[NH+]1CC2(C1)OCC[C@@H]2COCc1csc(C)n1 ZINC000248015620 571127034 /nfs/dbraw/zinc/12/70/34/571127034.db2.gz HIDOPNYFYURVPL-OAHLLOKOSA-N 1 1 364.536 3.629 40 0 FHABMO Cc1ccsc1C[N@H+]1Cc2ccnn2C[C@@H](OCc2csc(C)n2)C1 ZINC000248064963 571127575 /nfs/dbraw/zinc/12/75/75/571127575.db2.gz WQXITVHCRYNPOT-KRWDZBQOSA-N 1 1 374.535 3.619 40 0 FHABMO Cc1ccsc1C[N@@H+]1Cc2ccnn2C[C@@H](OCc2csc(C)n2)C1 ZINC000248064963 571127576 /nfs/dbraw/zinc/12/75/76/571127576.db2.gz WQXITVHCRYNPOT-KRWDZBQOSA-N 1 1 374.535 3.619 40 0 FHABMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)ccc1OC(C)C ZINC000072340969 571179329 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COc1ccccc1Oc1cncc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072384265 571189067 /nfs/dbraw/zinc/18/90/67/571189067.db2.gz WFWYYZOHFXTYCF-QGZVFWFLSA-N 1 1 355.438 3.593 40 0 FHABMO CN(C)[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1c1cn(C)c2ccccc12 ZINC000072395130 571190298 /nfs/dbraw/zinc/19/02/98/571190298.db2.gz BECKKCKQYAYKKJ-RBBKRZOGSA-N 1 1 351.469 3.847 40 0 FHABMO CN(C)[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1c1cn(C)c2ccccc12 ZINC000072395130 571190299 /nfs/dbraw/zinc/19/02/99/571190299.db2.gz BECKKCKQYAYKKJ-RBBKRZOGSA-N 1 1 351.469 3.847 40 0 FHABMO C[N@H+]1CCC[C@]12CCCN(C(=O)CCCc1c[nH]c3ccccc13)CC2 ZINC000585100235 571221486 /nfs/dbraw/zinc/22/14/86/571221486.db2.gz IQRQUMRASFGCCS-JOCHJYFZSA-N 1 1 353.510 3.968 40 0 FHABMO O=C1CC[C@@]2(CCC[N@H+](CC3CC(F)(F)C3)CC2)N1Cc1cncs1 ZINC000585100723 571221584 /nfs/dbraw/zinc/22/15/84/571221584.db2.gz USFUSGJWYRTPSX-QGZVFWFLSA-N 1 1 369.481 3.536 40 0 FHABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccncc3)CC2)N1Cc1ccc(F)cc1 ZINC000585099944 571221957 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40 0 FHABMO COC(=O)c1cn(C(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c2ccccc12 ZINC000222649983 222744466 /nfs/dbraw/zinc/74/44/66/222744466.db2.gz WRZPGRRHNKJQOT-UHFFFAOYSA-N 1 1 373.412 3.670 40 0 FHABMO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000224265919 222810178 /nfs/dbraw/zinc/81/01/78/222810178.db2.gz AUMVLAWHWLKFGS-QZTJIDSGSA-N 1 1 358.526 3.571 40 0 FHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)COc1cccc2c1CCCC2 ZINC000225875042 222877249 /nfs/dbraw/zinc/87/72/49/222877249.db2.gz SVYJBZXBEDSVSS-IBGZPJMESA-N 1 1 358.526 3.715 40 0 FHABMO Cc1ccc(Nc2nc([C@H]3CCC[N@H+](Cc4ccnn4C)C3)cs2)nc1 ZINC000257238480 223033481 /nfs/dbraw/zinc/03/34/81/223033481.db2.gz HLDUUBAPBJSKTQ-HNNXBMFYSA-N 1 1 368.510 3.703 40 0 FHABMO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccc(F)cc3)[N@@H+]2Cc2ccncc2)N1 ZINC000257295568 223055702 /nfs/dbraw/zinc/05/57/02/223055702.db2.gz QYWUZJMMODGPNU-AABGKKOBSA-N 1 1 353.441 3.595 40 0 FHABMO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@@H+](CC3CCOCC3)C2)n1 ZINC000257306621 223058681 /nfs/dbraw/zinc/05/86/81/223058681.db2.gz SVBKVVVQELVXHS-GOSISDBHSA-N 1 1 367.497 3.530 40 0 FHABMO Cc1ncsc1C[N@@H+]1CCN(C)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257339763 223071621 /nfs/dbraw/zinc/07/16/21/223071621.db2.gz ZDBVNCJEHIXHHG-KRWDZBQOSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1ncsc1CN1CC[N@@H+](C)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257339763 223071624 /nfs/dbraw/zinc/07/16/24/223071624.db2.gz ZDBVNCJEHIXHHG-KRWDZBQOSA-N 1 1 366.534 3.606 40 0 FHABMO Cc1ncsc1CN1CC[N@H+](C)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257339763 223071626 /nfs/dbraw/zinc/07/16/26/223071626.db2.gz ZDBVNCJEHIXHHG-KRWDZBQOSA-N 1 1 366.534 3.606 40 0 FHABMO O=C(c1ccsc1)N1C[C@]2(CC[N@@H+](Cc3ccoc3)C2)c2ncccc21 ZINC000306125838 223106562 /nfs/dbraw/zinc/10/65/62/223106562.db2.gz DDMDOYMIOFHGLS-HXUWFJFHSA-N 1 1 365.458 3.540 40 0 FHABMO Fc1cccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)c1F ZINC000012668498 220016510 /nfs/dbraw/zinc/01/65/10/220016510.db2.gz DOYONSILYGHNNT-UHFFFAOYSA-N 1 1 356.376 3.789 40 0 FHABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(Br)cc2)C1 ZINC000013613765 220079212 /nfs/dbraw/zinc/07/92/12/220079212.db2.gz FOFNIRKYJOUSMY-OKILXGFUSA-N 1 1 353.304 3.547 40 0 FHABMO COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@@H+](Cc4ccsc4)C[C@@H]32)c1 ZINC000019019467 220232944 /nfs/dbraw/zinc/23/29/44/220232944.db2.gz ATZBSPUCXIUUNX-NJDAHSKKSA-N 1 1 370.518 3.593 40 0 FHABMO COc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(C)=O)cc1 ZINC000019019508 220233248 /nfs/dbraw/zinc/23/32/48/220233248.db2.gz BJCVDNXXEDTFED-ACRUOGEOSA-N 1 1 370.518 3.593 40 0 FHABMO CC(C)(C)c1[nH]c2ncccc2c1C[N@H+]1CCC[C@H](CN2CCCC2=O)C1 ZINC000019083452 220235073 /nfs/dbraw/zinc/23/50/73/220235073.db2.gz ONOAONLLJCRSNA-INIZCTEOSA-N 1 1 368.525 3.695 40 0 FHABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019081993 220235481 /nfs/dbraw/zinc/23/54/81/220235481.db2.gz CTSCWYPRJHWGPV-UYAOXDASSA-N 1 1 366.509 3.592 40 0 FHABMO Cc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@@H+]3C)s1 ZINC000019217056 220240901 /nfs/dbraw/zinc/24/09/01/220240901.db2.gz RYCGETUHSQNCRD-ZHALLVOQSA-N 1 1 358.482 3.898 40 0 FHABMO Cc1ccsc1C[N@@H+](CCCN1CCOCC1)Cc1ccsc1 ZINC000019238589 220243268 /nfs/dbraw/zinc/24/32/68/220243268.db2.gz VFHXSQGKTPVKMT-UHFFFAOYSA-N 1 1 350.553 3.843 40 0 FHABMO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)no1)N1CCCC1 ZINC000019334019 220251071 /nfs/dbraw/zinc/25/10/71/220251071.db2.gz GULACEZZPBRNHM-MRXNPFEDSA-N 1 1 373.884 3.944 40 0 FHABMO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2ccsc2)nc(-c2ccncc2)[nH]1 ZINC000019405829 220254850 /nfs/dbraw/zinc/25/48/50/220254850.db2.gz LMMHPCWGNSTPKS-KRWDZBQOSA-N 1 1 352.463 3.621 40 0 FHABMO O=c1cc([C@@H]2CCCC[N@H+]2Cc2ccsc2)nc(-c2ccncc2)[nH]1 ZINC000019405829 220254856 /nfs/dbraw/zinc/25/48/56/220254856.db2.gz LMMHPCWGNSTPKS-KRWDZBQOSA-N 1 1 352.463 3.621 40 0 FHABMO C[C@@H](Cc1ccccn1)[N@@H+](C)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1 ZINC000019456954 220258035 /nfs/dbraw/zinc/25/80/35/220258035.db2.gz XRFUCHNCDXNMCH-KXBFYZLASA-N 1 1 350.466 3.872 40 0 FHABMO C[C@@H]1Cc2cc([C@@H](O)C[N@@H+](C)Cc3ccccc3)ccc2N1C(=O)C1CC1 ZINC000019497832 220263566 /nfs/dbraw/zinc/26/35/66/220263566.db2.gz DJGIJPOUZSNHIL-ZHRRBRCNSA-N 1 1 364.489 3.540 40 0 FHABMO CCn1cc(C[C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)c2ccccc21 ZINC000019524799 220265297 /nfs/dbraw/zinc/26/52/97/220265297.db2.gz SJCQSHVNCJMSEJ-INIZCTEOSA-N 1 1 352.482 3.729 40 0 FHABMO CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCC[C@@H](COc2ccccc2C)C1 ZINC000019523534 220265882 /nfs/dbraw/zinc/26/58/82/220265882.db2.gz GLKFQIIBXVMSSM-RBUKOAKNSA-N 1 1 369.509 3.708 40 0 FHABMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1[C@@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000019523654 220265991 /nfs/dbraw/zinc/26/59/91/220265991.db2.gz IWQBXYMQKMVSRD-GPHNJDIKSA-N 1 1 351.494 3.924 40 0 FHABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cc(OC)cc(OC)c1 ZINC000019527214 220268760 /nfs/dbraw/zinc/26/87/60/220268760.db2.gz APBQJIKDUCKRJY-FQEVSTJZSA-N 1 1 369.509 3.585 40 0 FHABMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC1=CCCOC1)CC2 ZINC000019550679 220270643 /nfs/dbraw/zinc/27/06/43/220270643.db2.gz LOSMBJLOBOMSKA-HSZRJFAPSA-N 1 1 365.473 3.998 40 0 FHABMO COc1ccccc1C[N@@H+]1C[C@@H](c2ccc(F)cc2)[C@H](c2cc[nH]n2)C1 ZINC000019570733 220274267 /nfs/dbraw/zinc/27/42/67/220274267.db2.gz QPAOHWPKPCVEMQ-RBUKOAKNSA-N 1 1 351.425 3.941 40 0 FHABMO COc1ccccc1[C@]1(O)CCC[C@@H]2C[N@@H+](Cc3cccc(O)c3)C[C@@H]21 ZINC000019569224 220274729 /nfs/dbraw/zinc/27/47/29/220274729.db2.gz LZHQUJSFDRRAFA-PIPMEXSNSA-N 1 1 353.462 3.521 40 0 FHABMO C[N@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)Cc1ccc(F)cc1 ZINC000019589234 220277508 /nfs/dbraw/zinc/27/75/08/220277508.db2.gz CUMLGBCTGGAKLE-KCZVDYSFSA-N 1 1 370.443 3.596 40 0 FHABMO Cc1c(-c2cncn2CC[N@H+](C)C2CCCC2)cnn1Cc1ccccc1 ZINC000019720038 220292261 /nfs/dbraw/zinc/29/22/61/220292261.db2.gz FOFVIIDBZDRQAO-UHFFFAOYSA-N 1 1 363.509 3.978 40 0 FHABMO Cc1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000019658652 220284221 /nfs/dbraw/zinc/28/42/21/220284221.db2.gz 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ZINC000020490482 220328997 /nfs/dbraw/zinc/32/89/97/220328997.db2.gz SNFPUROPGGJRBV-MRXNPFEDSA-N 1 1 366.461 3.942 40 0 FHABMO CCCn1ncc(C[N@@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)c1C ZINC000057811368 221093658 /nfs/dbraw/zinc/09/36/58/221093658.db2.gz CKCQXANLAMIGHR-FQEVSTJZSA-N 1 1 357.498 3.791 40 0 FHABMO CCCn1ncc(C[N@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)c1C ZINC000057811368 221093661 /nfs/dbraw/zinc/09/36/61/221093661.db2.gz CKCQXANLAMIGHR-FQEVSTJZSA-N 1 1 357.498 3.791 40 0 FHABMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC000067801144 221286782 /nfs/dbraw/zinc/28/67/82/221286782.db2.gz PXVYFGOCAJEVSE-ZDUSSCGKSA-N 1 1 355.276 3.548 40 0 FHABMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2Br)C1 ZINC000067801144 221286786 /nfs/dbraw/zinc/28/67/86/221286786.db2.gz PXVYFGOCAJEVSE-ZDUSSCGKSA-N 1 1 355.276 3.548 40 0 FHABMO COc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cccc(F)c4)C3)C2)cc1 ZINC000096049082 132217212 /nfs/dbraw/zinc/21/72/12/132217212.db2.gz AMQPBBQEGNNAFV-QFIPXVFZSA-N 1 1 370.468 3.706 40 0 FHABMO COc1ccc(C[N@H+]2CCO[C@@]3(CCCN(c4cccc(F)c4)C3)C2)cc1 ZINC000096049082 132217213 /nfs/dbraw/zinc/21/72/13/132217213.db2.gz AMQPBBQEGNNAFV-QFIPXVFZSA-N 1 1 370.468 3.706 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](CN(C)Cc4ccco4)[C@H]3C2)s1 ZINC000096056297 222005481 /nfs/dbraw/zinc/00/54/81/222005481.db2.gz VJQCGGUAPPSNMQ-FFZOFVMBSA-N 1 1 360.523 3.618 40 0 FHABMO Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](CN(C)Cc4ccco4)[C@H]3C2)s1 ZINC000096056297 222005485 /nfs/dbraw/zinc/00/54/85/222005485.db2.gz VJQCGGUAPPSNMQ-FFZOFVMBSA-N 1 1 360.523 3.618 40 0 FHABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)s1 ZINC000096100327 222021931 /nfs/dbraw/zinc/02/19/31/222021931.db2.gz WLYNLTSMGMRWLD-NRFANRHFSA-N 1 1 352.503 3.957 40 0 FHABMO Cc1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)c1 ZINC000096215421 222080057 /nfs/dbraw/zinc/08/00/57/222080057.db2.gz JGFCKIPIEQYGFH-QFIPXVFZSA-N 1 1 371.525 3.741 40 0 FHABMO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(C)n2)C3)c(C)o1 ZINC000096216199 222082771 /nfs/dbraw/zinc/08/27/71/222082771.db2.gz DXCBLYVVOFCGSC-QFIPXVFZSA-N 1 1 367.493 3.728 40 0 FHABMO Fc1cccc(C[N@H+]2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 ZINC000306135034 534516921 /nfs/dbraw/zinc/51/69/21/534516921.db2.gz OFJYNVBZIDFYAS-FQEVSTJZSA-N 1 1 369.465 3.926 40 0 FHABMO Fc1cccc(C[N@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306132516 534517052 /nfs/dbraw/zinc/51/70/52/534517052.db2.gz LLEYJPPMVHRGTQ-QHCPKHFHSA-N 1 1 374.463 3.780 40 0 FHABMO O=C(c1ccccc1)N1CCC[C@]2(C[N@H+](Cc3cccs3)CCO2)CC1 ZINC000306127445 534744032 /nfs/dbraw/zinc/74/40/32/534744032.db2.gz FYSTUBWDCPCJEY-OAQYLSRUSA-N 1 1 370.518 3.645 40 0 FHABMO O=C(c1ccccc1)N1CCC[C@]2(C[N@@H+](Cc3cccs3)CCO2)CC1 ZINC000306127445 534744034 /nfs/dbraw/zinc/74/40/34/534744034.db2.gz FYSTUBWDCPCJEY-OAQYLSRUSA-N 1 1 370.518 3.645 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)cc1 ZINC000020459612 527371677 /nfs/dbraw/zinc/37/16/77/527371677.db2.gz WKWWXTABBJAABH-AWEZNQCLSA-N 1 1 369.852 3.918 40 0 FHABMO CC[C@H](C)Nc1nc(N2CCc3cc(OC)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329031373 536148454 /nfs/dbraw/zinc/14/84/54/536148454.db2.gz QJBRSAJJUSRPDF-AWEZNQCLSA-N 1 1 352.482 3.558 40 0 FHABMO O=C(NCCSC1CCCC1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000223336479 568641829 /nfs/dbraw/zinc/64/18/29/568641829.db2.gz PKKTYSZRHXMNAN-QGZVFWFLSA-N 1 1 364.530 3.830 40 0 FHABMO COc1ccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4ccc(F)cc4)C3)C2)cc1 ZINC000096047626 570473808 /nfs/dbraw/zinc/47/38/08/570473808.db2.gz VODNQTIRZLLDHJ-CTNGQTDRSA-N 1 1 356.441 3.680 40 0 FHABMO CCCC[N@@H+](C[C@H](O)CNc1cc(OC)cc2cccnc21)[C@@H](C)CC ZINC000004522423 570594935 /nfs/dbraw/zinc/59/49/35/570594935.db2.gz RVIXLFBINVXPGJ-FUHWJXTLSA-N 1 1 359.514 3.917 40 0 FHABMO N=C1NC(=[NH2+])c2cc3c(cc21)SCCSCCCSCCS3 ZINC000006499928 570647761 /nfs/dbraw/zinc/64/77/61/570647761.db2.gz IIZQCRSULFFRRD-UHFFFAOYSA-N 1 1 369.606 3.785 40 0 FHABMO CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cc1 ZINC000036739994 570698255 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Cc1ccc(Nc2nc([C@H]3CCC[N@H+](Cc4cncn4C)C3)cs2)nc1 ZINC000257263417 223042964 /nfs/dbraw/zinc/04/29/64/223042964.db2.gz LPVGYLFLICXWGU-HNNXBMFYSA-N 1 1 368.510 3.703 40 0 FHABMO Cc1c2cc(F)ccc2[nH]c1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@H+]2C ZINC000257287384 223051708 /nfs/dbraw/zinc/05/17/08/223051708.db2.gz PPSBBUQXRKXNQB-HEFCWWFNSA-N 1 1 355.457 3.703 40 0 FHABMO Cc1cc(Nc2cccc(F)c2)cc([C@H]2CC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000257292674 223053585 /nfs/dbraw/zinc/05/35/85/223053585.db2.gz QMMYZORCGRWUCT-KRWDZBQOSA-N 1 1 365.456 3.996 40 0 FHABMO Cc1ncc(-c2cccc(C3CC[NH+](Cc4cscn4)CC3)n2)n1C ZINC000257299437 223056986 /nfs/dbraw/zinc/05/69/86/223056986.db2.gz RQBOQKQXZWYMSD-UHFFFAOYSA-N 1 1 353.495 3.627 40 0 FHABMO C[NH+](C)Cc1cn(-c2ccccc2C(=O)NCc2ccc(Cl)cc2)cn1 ZINC000257298242 223057102 /nfs/dbraw/zinc/05/71/02/223057102.db2.gz RKVBTYLSLGUYSG-UHFFFAOYSA-N 1 1 368.868 3.517 40 0 FHABMO COCCn1ccnc1[C@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ccccc21 ZINC000306133674 223109559 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CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019081995 220236339 /nfs/dbraw/zinc/23/63/39/220236339.db2.gz CTSCWYPRJHWGPV-ICSRJNTNSA-N 1 1 366.509 3.592 40 0 FHABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)cc(N)n2n1 ZINC000019129313 220238109 /nfs/dbraw/zinc/23/81/09/220238109.db2.gz UYXMQTCKUJGEQX-OAHLLOKOSA-N 1 1 355.873 3.653 40 0 FHABMO O=c1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2F)nc(-c2cccnc2)[nH]1 ZINC000019349092 220253803 /nfs/dbraw/zinc/25/38/03/220253803.db2.gz JXFVUIMHBPFPDC-IBGZPJMESA-N 1 1 364.424 3.698 40 0 FHABMO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2F)nc(-c2cccnc2)[nH]1 ZINC000019349092 220253806 /nfs/dbraw/zinc/25/38/06/220253806.db2.gz JXFVUIMHBPFPDC-IBGZPJMESA-N 1 1 364.424 3.698 40 0 FHABMO CCC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019499268 220262684 /nfs/dbraw/zinc/26/26/84/220262684.db2.gz QAMNTSOZPXCCRN-MAUKXSAKSA-N 1 1 361.486 3.762 40 0 FHABMO C[C@H]1Cc2cc([C@@H](O)C[N@@H+](C)Cc3ccccc3)ccc2N1C(=O)C1CC1 ZINC000019497833 220263072 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FHABMO Clc1cccc2ccc(C[NH+]3CCC(Oc4cnccn4)CC3)nc12 ZINC000019658996 220283217 /nfs/dbraw/zinc/28/32/17/220283217.db2.gz BWOQERQUUXICNL-UHFFFAOYSA-N 1 1 354.841 3.722 40 0 FHABMO O=c1c(-c2cccnc2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccs2)C1 ZINC000020503257 220330719 /nfs/dbraw/zinc/33/07/19/220330719.db2.gz ZJMKGOQLIVQGIR-DOTOQJQBSA-N 1 1 363.486 3.591 40 0 biogenic,in-vitro FHABMO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022513030 220388499 /nfs/dbraw/zinc/38/84/99/220388499.db2.gz DIBFEYJBEAVFAJ-FUHIMQAGSA-N 1 1 360.542 3.945 40 0 FHABMO COc1cc2c(cc1OC)CN(c1cc(NC3CCCC3)nc(C)[nH+]1)CC2 ZINC000243294291 132249511 /nfs/dbraw/zinc/24/95/11/132249511.db2.gz LFBRBEQQYKUBOH-UHFFFAOYSA-N 1 1 368.481 3.719 40 0 FHABMO CC(C)c1nc(N[C@@H](C)CO)cc(N2CCc3cc(Cl)ccc3C2)[nH+]1 ZINC000329010146 132372343 /nfs/dbraw/zinc/37/23/43/132372343.db2.gz LZOXPVCNQFJFAO-ZDUSSCGKSA-N 1 1 360.889 3.609 40 0 FHABMO CC(C)c1nc(N2Cc3ccccc3CC2(C)C)cc(N[C@@H](C)CO)[nH+]1 ZINC000329038034 132372880 /nfs/dbraw/zinc/37/28/80/132372880.db2.gz RQWFKJIEWVQOTR-HNNXBMFYSA-N 1 1 354.498 3.734 40 0 FHABMO CC(C)c1nc(N[C@@H](C)CO)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000329038034 132372881 /nfs/dbraw/zinc/37/28/81/132372881.db2.gz RQWFKJIEWVQOTR-HNNXBMFYSA-N 1 1 354.498 3.734 40 0 FHABMO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccc(Cl)cc3)[nH]2)cc1OCC ZINC000095534526 221958292 /nfs/dbraw/zinc/95/82/92/221958292.db2.gz HMMBYFHUOKQYRK-KRWDZBQOSA-N 1 1 372.856 3.971 40 0 FHABMO O=C(Nc1ccccc1)[C@@H]1C[N@@H+](Cc2cccs2)CC12CCOCC2 ZINC000096052245 222002836 /nfs/dbraw/zinc/00/28/36/222002836.db2.gz ZXWCARLSCPTRLB-SFHVURJKSA-N 1 1 356.491 3.615 40 0 FHABMO Fc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)cc1 ZINC000096051904 222003749 /nfs/dbraw/zinc/00/37/49/222003749.db2.gz UITDDAIRKQRWLI-GHTZIAJQSA-N 1 1 356.441 3.671 40 0 FHABMO Fc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)cc1 ZINC000096051904 222003751 /nfs/dbraw/zinc/00/37/51/222003751.db2.gz UITDDAIRKQRWLI-GHTZIAJQSA-N 1 1 356.441 3.671 40 0 FHABMO Cc1nc(CO[C@@H]2C[N@@H+](Cc3ccc(F)cc3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096058123 222005492 /nfs/dbraw/zinc/00/54/92/222005492.db2.gz OQHCTDOWSMLQIW-QRVBRYPASA-N 1 1 362.470 3.539 40 0 FHABMO COc1cccc(-c2c3c(nn2CC2CC2)C[C@@H]2C[N@H+](CC4CC4)C[C@H]32)c1 ZINC000096145675 222047109 /nfs/dbraw/zinc/04/71/09/222047109.db2.gz HFNVZIDQUWQGAW-QUCCMNQESA-N 1 1 363.505 3.950 40 0 FHABMO CC(C)c1nc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccn23)cs1 ZINC000096154833 222056554 /nfs/dbraw/zinc/05/65/54/222056554.db2.gz MDKSSOIXQCIGSC-UHFFFAOYSA-N 1 1 368.506 3.574 40 0 FHABMO Cn1cccc1C(=O)N1CCC2(CC([N@@H+](C)Cc3cccs3)C2)CC1 ZINC000096159281 222058797 /nfs/dbraw/zinc/05/87/97/222058797.db2.gz MOSSBSCCKAOZIZ-UHFFFAOYSA-N 1 1 357.523 3.603 40 0 FHABMO Cc1ccc(C[N@H+]2CCC[C@@]23CCCN(C(=O)CCc2cccnc2)C3)o1 ZINC000096214591 222080794 /nfs/dbraw/zinc/08/07/94/222080794.db2.gz LUSLUNMMPSDTOX-JOCHJYFZSA-N 1 1 367.493 3.573 40 0 FHABMO Cc1ccsc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215789 222081176 /nfs/dbraw/zinc/08/11/76/222081176.db2.gz VSFXZSDDMXNFER-SFHVURJKSA-N 1 1 361.536 3.641 40 0 FHABMO Cc1ccsc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215789 222081179 /nfs/dbraw/zinc/08/11/79/222081179.db2.gz VSFXZSDDMXNFER-SFHVURJKSA-N 1 1 361.536 3.641 40 0 FHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Br)cc1 ZINC000010543018 263366288 /nfs/dbraw/zinc/36/62/88/263366288.db2.gz ZRQJMLKEEMXPRL-MRXNPFEDSA-N 1 1 353.304 3.834 40 0 FHABMO c1cncc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306131391 534504406 /nfs/dbraw/zinc/50/44/06/534504406.db2.gz KDCYUZSIJVQSIM-FQEVSTJZSA-N 1 1 370.460 3.566 40 0 FHABMO Cc1nn(C)c2nc([C@H]3CCC[N@@H+](Cc4ccc(Cl)cn4)C3)ccc12 ZINC000257287986 534829496 /nfs/dbraw/zinc/82/94/96/534829496.db2.gz PSHHLOAIUWFQMV-AWEZNQCLSA-N 1 1 355.873 3.705 40 0 FHABMO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@H+](C3CCC3)C[C@H]21 ZINC000306143943 534877234 /nfs/dbraw/zinc/87/72/34/534877234.db2.gz YRKUXILSNJBNQT-AZUAARDMSA-N 1 1 357.450 3.600 40 0 FHABMO Cc1csc(Nc2cc(C)nc([C@H]3CCC[N@H+](C4CCOCC4)C3)n2)n1 ZINC000257279933 526394733 /nfs/dbraw/zinc/39/47/33/526394733.db2.gz OITUUWMDLNYNME-HNNXBMFYSA-N 1 1 373.526 3.652 40 0 FHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Sc2ccccc2)cc1 ZINC000020456570 527372782 /nfs/dbraw/zinc/37/27/82/527372782.db2.gz XVESSBSCILJXBT-OAHLLOKOSA-N 1 1 351.475 3.978 40 0 FHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000020456295 527385720 /nfs/dbraw/zinc/38/57/20/527385720.db2.gz ZQNHVQLZHYDYDE-QGZVFWFLSA-N 1 1 363.461 3.881 40 0 FHABMO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4cccnc4)[C@@H]3C[C@H]21 ZINC000257264819 527817453 /nfs/dbraw/zinc/81/74/53/527817453.db2.gz LWCHUOGYYGISRH-UKAVVXHISA-N 1 1 350.462 3.973 40 0 FHABMO CC(C)(O)c1ccc2c(c1)CCN(c1cc[nH+]c(NCc3ccccc3)n1)C2 ZINC000329056646 535326098 /nfs/dbraw/zinc/32/60/98/535326098.db2.gz VSURUMHRRCXHFM-UHFFFAOYSA-N 1 1 374.488 3.879 40 0 FHABMO CC[C@H](C)Nc1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329016454 536148338 /nfs/dbraw/zinc/14/83/38/536148338.db2.gz NGQVFXGCRSBZJB-LSDHHAIUSA-N 1 1 366.509 3.602 40 0 FHABMO COc1ccc(C(=O)CN(c2ccccc2)C2=[NH+]CCCC2)cc1OC ZINC000007276026 568231023 /nfs/dbraw/zinc/23/10/23/568231023.db2.gz JKNRDPUJEQNVAH-UHFFFAOYSA-N 1 1 352.434 3.976 40 0 FHABMO CC(C)(C)[C@@H]1C[C@@]2(C)[C@H](CCCCc3nnnn32)[N@H+]1Cc1ccccc1 ZINC000218904835 568256634 /nfs/dbraw/zinc/25/66/34/568256634.db2.gz XGMHPACMNJGJAW-WFXMLNOXSA-N 1 1 353.514 3.804 40 0 FHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccc(OC)c(OC)c1 ZINC000022931739 568314503 /nfs/dbraw/zinc/31/45/03/568314503.db2.gz KQTSRJVYGXTYMX-HXUWFJFHSA-N 1 1 369.509 3.585 40 0 FHABMO CCCC(CCC)[N@H+]1CC[C@H](O)[C@@](O)(COc2c(C)ccc(C)c2C)C1 ZINC000585285882 570494717 /nfs/dbraw/zinc/49/47/17/570494717.db2.gz DONMBHUPWAHSAK-UNMCSNQZSA-N 1 1 363.542 3.757 40 0 FHABMO FC(F)(F)c1nc(-c2cccc([C@H]3CCC[N@@H+](CC4CC4)C3)n2)no1 ZINC000585289486 570495500 /nfs/dbraw/zinc/49/55/00/570495500.db2.gz IFCRBCXXRYWGRZ-LBPRGKRZSA-N 1 1 352.360 3.740 40 0 FHABMO [NH3+][C@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1Cl ZINC000072227305 570535768 /nfs/dbraw/zinc/53/57/68/570535768.db2.gz AULXWCWDQOFAMG-KGLIPLIRSA-N 1 1 351.631 3.518 40 0 FHABMO [NH3+][C@@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000072227306 570535838 /nfs/dbraw/zinc/53/58/38/570535838.db2.gz GPKMRNYMPWWSLH-UONOGXRCSA-N 1 1 351.631 3.518 40 0 FHABMO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072219651 570534912 /nfs/dbraw/zinc/53/49/12/570534912.db2.gz GYTSBRYFHDEDEP-NRFANRHFSA-N 1 1 351.494 3.954 40 0 FHABMO COc1cccc(-c2noc([C@H]3CC[N@@H+](Cc4ccccc4F)C3)n2)c1 ZINC000072369854 570546838 /nfs/dbraw/zinc/54/68/38/570546838.db2.gz RWBGZLATOQLGJR-INIZCTEOSA-N 1 1 353.397 3.874 40 0 FHABMO CC(=O)[C@H]1[C@H]([NH+]2CC2)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118917650 570560026 /nfs/dbraw/zinc/56/00/26/570560026.db2.gz YKAAPHAUSMBTTG-XKMUXQCMSA-N 1 1 357.538 3.809 40 0 FHABMO COc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000004886092 570672695 /nfs/dbraw/zinc/67/26/95/570672695.db2.gz OCRUJRRLNYMPPK-IHWFROFDSA-N 1 1 350.462 3.621 40 0 FHABMO COc1ccc(CN(C(=O)c2ccco2)[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000006576890 570681665 /nfs/dbraw/zinc/68/16/65/570681665.db2.gz SUTXCIMFRCHMFF-BXWFABGCSA-N 1 1 356.466 3.659 40 0 FHABMO Cc1c(/C=C/C2=CC[N@@H+](C)CC2)c2ccccc2n1CC(=O)N1CCCC1 ZINC000012117147 570719608 /nfs/dbraw/zinc/71/96/08/570719608.db2.gz SDTCBAJSAHFYNM-MDZDMXLPSA-N 1 1 363.505 3.847 40 0 FHABMO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000012119170 570720383 /nfs/dbraw/zinc/72/03/83/570720383.db2.gz FMQCTBHGIGJLOY-GOSISDBHSA-N 1 1 359.429 3.980 40 0 FHABMO COc1ccccc1/C=C/C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1cccnc1 ZINC000012134978 570720822 /nfs/dbraw/zinc/72/08/22/570720822.db2.gz GPOIPVRAQNIIHX-NEJRFYIBSA-N 1 1 364.489 3.723 40 0 FHABMO COc1ccc(C[N@H+]2CCc3sccc3[C@@H]2C)cc1CN1CCOCC1 ZINC000012241056 570730551 /nfs/dbraw/zinc/73/05/51/570730551.db2.gz GXNNYJUIGJTLDU-INIZCTEOSA-N 1 1 372.534 3.708 40 0 FHABMO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000030755429 571049485 /nfs/dbraw/zinc/04/94/85/571049485.db2.gz IWDACEUFRBBIGV-LJQANCHMSA-N 1 1 372.896 3.842 40 0 FHABMO CO[C@@](C)(C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000225643942 571052148 /nfs/dbraw/zinc/05/21/48/571052148.db2.gz DOECGXLOFRJRNQ-HYFFOGBASA-N 1 1 374.525 3.797 40 0 FHABMO CCOC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225647453 571052737 /nfs/dbraw/zinc/05/27/37/571052737.db2.gz HIWKYCRLKSSLBN-CALCHBBNSA-N 1 1 362.514 3.797 40 0 FHABMO COc1ccc(CN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000030946049 571053106 /nfs/dbraw/zinc/05/31/06/571053106.db2.gz LCCIESDORWQESA-HXUWFJFHSA-N 1 1 352.478 3.566 40 0 FHABMO COc1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000030946053 571053508 /nfs/dbraw/zinc/05/35/08/571053508.db2.gz LCCIESDORWQESA-FQEVSTJZSA-N 1 1 352.478 3.566 40 0 FHABMO C[C@@H](C[NH+]1CCOCC1)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000031938041 571056026 /nfs/dbraw/zinc/05/60/26/571056026.db2.gz OKFYKMOGOWTGMW-LAUBAEHRSA-N 1 1 359.897 3.739 40 0 FHABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(Br)cc2)C1 ZINC000225735634 571060494 /nfs/dbraw/zinc/06/04/94/571060494.db2.gz UPXLUBHQGJAPOU-CYBMUJFWSA-N 1 1 370.360 3.858 40 0 FHABMO Cc1cc2nc([C@H]3CCC[N@H+](CC[C@@H](C)c4ccc(C)o4)C3)cc(N)n2n1 ZINC000036719061 571081357 /nfs/dbraw/zinc/08/13/57/571081357.db2.gz YBOGQKCZIQEJOG-PBHICJAKSA-N 1 1 367.497 3.895 40 0 FHABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc3c(cc2C)OCO3)o1 ZINC000036740284 571081368 /nfs/dbraw/zinc/08/13/68/571081368.db2.gz ZCMSWWYIQISJNL-UHFFFAOYSA-N 1 1 367.449 3.914 40 0 FHABMO COC(=O)c1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000038753044 571085853 /nfs/dbraw/zinc/08/58/53/571085853.db2.gz MQMMKZGJTVDXMR-MRXNPFEDSA-N 1 1 366.461 3.957 40 0 FHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCSCc2ccccc2)cc1 ZINC000038837119 571087632 /nfs/dbraw/zinc/08/76/32/571087632.db2.gz JQPDLDNTOTWCIA-UHFFFAOYSA-N 1 1 365.502 3.903 40 0 FHABMO O=C(NC[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849071 571087849 /nfs/dbraw/zinc/08/78/49/571087849.db2.gz ILNISRZLVAETCD-ZBFHGGJFSA-N 1 1 371.308 3.501 40 0 FHABMO O=C(NC[C@@H]1CCCO1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849071 571087851 /nfs/dbraw/zinc/08/78/51/571087851.db2.gz ILNISRZLVAETCD-ZBFHGGJFSA-N 1 1 371.308 3.501 40 0 FHABMO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000044845963 571102876 /nfs/dbraw/zinc/10/28/76/571102876.db2.gz WRJRCZGDIAPEDI-NSHGMRRFSA-N 1 1 360.542 3.945 40 0 FHABMO O=C(NCCCc1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044906509 571104543 /nfs/dbraw/zinc/10/45/43/571104543.db2.gz PQBZOLJDLAXSHU-IBGZPJMESA-N 1 1 372.459 3.926 40 0 FHABMO CCOc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044920017 571104888 /nfs/dbraw/zinc/10/48/88/571104888.db2.gz ABUFBAMEIKWFJX-IBGZPJMESA-N 1 1 370.468 3.753 40 0 FHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000044938427 571105383 /nfs/dbraw/zinc/10/53/83/571105383.db2.gz FQMGNANURFFGRR-UHFFFAOYSA-N 1 1 374.444 3.619 40 0 FHABMO CCOc1ccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000046103187 571106955 /nfs/dbraw/zinc/10/69/55/571106955.db2.gz BFTUAROKQOMPDJ-UHFFFAOYSA-N 1 1 369.534 3.820 40 0 FHABMO CC(C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329061312 571109014 /nfs/dbraw/zinc/10/90/14/571109014.db2.gz WRGGQGHPSHGUJZ-UHFFFAOYSA-N 1 1 366.509 3.964 40 0 FHABMO CC(C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329061312 571109018 /nfs/dbraw/zinc/10/90/18/571109018.db2.gz WRGGQGHPSHGUJZ-UHFFFAOYSA-N 1 1 366.509 3.964 40 0 FHABMO C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000260808156 571123512 /nfs/dbraw/zinc/12/35/12/571123512.db2.gz GCDMCKIQVSPBQN-ZWKOTPCHSA-N 1 1 358.526 3.571 40 0 FHABMO O=C(NC[C@H]1CCCO1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000260825636 571123988 /nfs/dbraw/zinc/12/39/88/571123988.db2.gz ILNISRZLVAETCD-GOEBONIOSA-N 1 1 371.308 3.501 40 0 FHABMO O=C(NC[C@H]1CCCO1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000260825636 571123992 /nfs/dbraw/zinc/12/39/92/571123992.db2.gz ILNISRZLVAETCD-GOEBONIOSA-N 1 1 371.308 3.501 40 0 FHABMO Cc1ncc2c(n1)[C@@]1(CC[N@@H+](Cc3ccc(C(C)(C)C)cc3)C1)COC2 ZINC000248192750 571128192 /nfs/dbraw/zinc/12/81/92/571128192.db2.gz MMLLWKAZPNHEDR-JOCHJYFZSA-N 1 1 351.494 3.756 40 0 FHABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4ccc(Cl)cc4)C3)cc(N)n2n1 ZINC000072339775 571179232 /nfs/dbraw/zinc/17/92/32/571179232.db2.gz CRZQYZPFWYWQPQ-OAHLLOKOSA-N 1 1 355.873 3.653 40 0 FHABMO COC(=O)[C@@]1(CC=C(C)C)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(OC)c1 ZINC000072341109 571179489 /nfs/dbraw/zinc/17/94/89/571179489.db2.gz WBSLODQSNBEOIO-ZWCUEREDSA-N 1 1 371.477 3.517 40 0 FHABMO Cc1nc([C@@H]2CCCC[N@H+]2CCCc2ccccc2)ncc1C(=O)N(C)C ZINC000072345467 571179693 /nfs/dbraw/zinc/17/96/93/571179693.db2.gz MGCSYJOCOOWMOB-FQEVSTJZSA-N 1 1 366.509 3.647 40 0 FHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072348750 571180208 /nfs/dbraw/zinc/18/02/08/571180208.db2.gz RXHBNKHXQKAGEX-GOSISDBHSA-N 1 1 369.484 3.936 40 0 FHABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349534 571181076 /nfs/dbraw/zinc/18/10/76/571181076.db2.gz UUQPRSWDVWXJRG-KRWDZBQOSA-N 1 1 371.912 3.593 40 0 FHABMO Cc1nc([C@@H]2CC[N@H+](C(C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072351976 571182100 /nfs/dbraw/zinc/18/21/00/571182100.db2.gz TVIHJZFAZSGFFF-CQSZACIVSA-N 1 1 358.873 3.888 40 0 FHABMO CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072357959 571182974 /nfs/dbraw/zinc/18/29/74/571182974.db2.gz NNXBWSPMUPXXDX-IBGZPJMESA-N 1 1 357.885 3.551 40 0 FHABMO CN(C)C(=O)C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072357959 571182977 /nfs/dbraw/zinc/18/29/77/571182977.db2.gz NNXBWSPMUPXXDX-IBGZPJMESA-N 1 1 357.885 3.551 40 0 FHABMO COc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000072358579 571183487 /nfs/dbraw/zinc/18/34/87/571183487.db2.gz KHIREWVLUXHSMH-LJQANCHMSA-N 1 1 360.461 3.927 40 0 FHABMO COc1cccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccccc4OC)C3)n2)c1 ZINC000072369877 571185146 /nfs/dbraw/zinc/18/51/46/571185146.db2.gz ALDXGPHIUFUNHG-QGZVFWFLSA-N 1 1 365.433 3.743 40 0 FHABMO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375350 571185711 /nfs/dbraw/zinc/18/57/11/571185711.db2.gz VKQZIMAEAUYZJP-INIZCTEOSA-N 1 1 354.483 3.661 40 0 FHABMO COc1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390025 571189508 /nfs/dbraw/zinc/18/95/08/571189508.db2.gz WUOVHUYHIUSPSR-INIZCTEOSA-N 1 1 350.422 3.520 40 0 FHABMO Fc1cccc(C[N@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)c1F ZINC000072390046 571189565 /nfs/dbraw/zinc/18/95/65/571189565.db2.gz LDDJYZZAPUDSRZ-AWEZNQCLSA-N 1 1 356.376 3.789 40 0 FHABMO COc1cccc(C[N@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1 ZINC000072389986 571189724 /nfs/dbraw/zinc/18/97/24/571189724.db2.gz BIYHTYDJFVMFGF-QGZVFWFLSA-N 1 1 350.422 3.520 40 0 FHABMO CC[NH+]1CCC2(CC1)CN(Cc1ccncc1)Cc1cc(C)ccc1O2 ZINC000072394195 571190230 /nfs/dbraw/zinc/19/02/30/571190230.db2.gz XDODAEYODIRDJI-UHFFFAOYSA-N 1 1 351.494 3.639 40 0 FHABMO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@@H+](C)C3CCCC3)CC2)nn1C ZINC000257322078 571215986 /nfs/dbraw/zinc/21/59/86/571215986.db2.gz WEMYLABRANWXSM-IYARVYRRSA-N 1 1 360.546 3.547 40 0 FHABMO C[C@H](c1ccccc1)[N@H+]1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104212 571222977 /nfs/dbraw/zinc/22/29/77/571222977.db2.gz KVOGVFDFGQFHAG-VGSWGCGISA-N 1 1 368.452 3.642 40 0 FHABMO Clc1ccccc1C[NH+]1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000585105312 571224306 /nfs/dbraw/zinc/22/43/06/571224306.db2.gz SVPNQUTWKPTNJR-KRWDZBQOSA-N 1 1 367.942 3.843 40 0 FHABMO FC(F)(F)c1cc(N2CC[C@H]3[C@H](C[N@H+]3CC3CCCCC3)C2)ncn1 ZINC000585107925 571225132 /nfs/dbraw/zinc/22/51/32/571225132.db2.gz FWTAMBMLVMHZNM-GJZGRUSLSA-N 1 1 354.420 3.586 40 0 FHABMO CC(C)CC[N@H+]1CC[C@H]2[C@@H]1CC(=O)N2Cc1ccc(OC(F)F)cc1 ZINC000585109010 571225416 /nfs/dbraw/zinc/22/54/16/571225416.db2.gz NNTFIOXGDMUDTC-IRXDYDNUSA-N 1 1 352.425 3.509 40 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